LOOPP parallel driver v5.0 (06/13/08 15:45 EDT) with LOOPP v3.0 (compiled Jul 11 2008 17:20:20)
[NEWSABLE] [HSHFL] [ENE] [NEWALICHOICE]
This is HTML output, the other options are plain text, CASP AL and CASP TS formats.
If an error occured during execution it is logged in plain text version only,
there is no need to look for an error if this file ends with 'DONE' statement.
STARTING:Tue Aug 12 13:18:18 2008 EST
INPUT:
sim_min = 40.0% minimum sequence identity (%)
sim_max = 80.0% maximum sequence identity (%)
len_dif = 20.0% maximum length difference (% of query sequence length)
between query and homolog
nmax = 1 maximum number of homologous sequences (including query sequence)
maxout = 5 maximum number of outputted matches
strict = 0 all alignments will be accepted from LOOPP results
for homologs; they will be translated to query sequence
alignments using BLAST results
casp = 5 maximum number of outputted matches in CASP format
align = 'g' only corresponding global alignments will be reported
maxdiff = 50.0% only alignments differing no more than 50.0% from the query
sequence will be reported, or when reject=0, corresponding local
alignments will be reported
reject = 1 alignments shorter more than 50.0% from the query sequence
will be rejected
seccut = 0.00 structures with sec. str. score below seccut will be rejected
secdb = 1 type of secondary structure description: 1 - DSSB, 0 - phi/psi map
tasktb = 11111111111111111111 type of initial calculations
pdbcut = 60.0% pdb sequence identity threshold (%)
pdbstop = 0 stop if PDB structure with similarity above pdbcut found
domains = 0 query sequence will be decomposed into putative domains if =1
maxall = 300 maximum number of models evaluated in the second stage
refstr = 0 if equal to 1 rmsd distances between all hits and a reference structure
will be reported
maxpdb = 5 number of top PDB hits added to the second stage scoring
maxdyn = 5 number of dynamic domain entries from database added to the second stage scoring
beautify = 0 use pdb beautifier
rmsdtables = 1 compute rmsd tables between hits
local LOOPP/BLAST database will be used
input file T0447
--> 542 residues, sequence name: T0447
Database: T:\CBSU\blastdb\20080108\nr
-> 84 homolog sequences with sequence identity from 40.0% to 80.0% satisfying length constraints found
-> 0 representatives will be used in search (nmax=1 including query sequence)
Histogram of all homolog sequences found by BLAST (e-value cutoff 0.01, length constr.) by sequence identity:
| 00%-10% | 10%-20% | 20%-30% | 30%-40% | 40%-50% | 50%-60% | 60%-70% | 70%-80% | 80%-90% | 90%-100% |
| 0 | 0 | 0 | 0 | 4 | 78 | 2 | 0 | 0 | 3 |
1 | 2 | 3 | 4 | 5 | |
1 | 0.00 | 0.71 | 25.80 | 28.11 | 26.46 |
2 | 0.71 | 0.00 | 25.74 | 28.17 | 26.44 |
3 | 25.80 | 25.74 | 0.00 | 29.04 | 21.08 |
4 | 28.11 | 28.17 | 29.04 | 0.00 | 27.88 |
5 | 26.46 | 26.44 | 21.08 | 27.88 | 0.00 |
Similarity table for hits: percentage of chain fitting below 3Å RMSD (Cells are shaded according to similarity starting at 30%)
1 | 2 | 3 | 4 | 5 | |
1 | 100.00 | 100.00 | 5.62 | 6.24 | 4.92 |
2 | 100.00 | 100.00 | 5.83 | 6.24 | 4.92 |
3 | 5.62 | 5.83 | 100.00 | 6.01 | 6.26 |
4 | 6.24 | 6.24 | 6.01 | 100.00 | 5.12 |
5 | 4.92 | 4.92 | 6.26 | 5.12 | 100.00 |
Similarity table for hits: percentage of chain fitting below 6Å RMSD (Cells are shaded according to similarity starting at 50%)
1 | 2 | 3 | 4 | 5 | |
1 | 100.00 | 100.00 | 12.53 | 11.58 | 11.48 |
2 | 100.00 | 100.00 | 13.17 | 11.58 | 12.50 |
3 | 12.53 | 13.17 | 100.00 | 8.69 | 13.61 |
4 | 11.58 | 11.58 | 8.69 | 100.00 | 9.58 |
5 | 11.48 | 12.50 | 13.61 | 9.58 | 100.00 |
ALIGNMENTS
--> hit 1 [All-atom model (PDB)] [view all-atom model (PDB) with Chime] [PIR alignment file] [PDB file (backbone only)] [view PDB file (backbone only) with Chime] [hit list]
secondary structure: 32.66% helical, 16.05% extended, 51.29% loops/other (query: 36.16% 19.00% 44.83%)
SCOP classification: [Alpha and beta proteins (a/b)]/[P-loop containing nucleoside triphosphate hydrolases]
name SCOP SCOP_stat confidence score homolog hits length seq. align ENE TE13 old CGenergy SIFT2 tma1 tma2 |-------OPTM------| |-------SEQ (global)-------| |-------SEQ (local)-------| |-------TRD (global)-------| |-------TRD (local)-------| |-------TRS (global)-------| |-------TRS (local)-------| |-------TSS (global)-------| |-------TSS (local)-------| |-------TSC (global)-------| |-------TSC (local)-------| |-------PSM (global)-------| |-------PSM (local)-------| |-------SRF (global)-------| |-------SRF (local)-------| |-------TBLS------| |-------KMER------| |-------CFTR------| |-------TBSS------| |-------SBLS------| sec. str.
(%) ident. src. all-atom all-atom score all-atom all-atom all-atom all-atom r-energy energy zscore r-energy energy zscore r-energy energy zscore r-energy energy zscore r-energy energy zscore r-energy energy zscore r-energy energy zscore r-energy energy zscore r-energy energy zscore r-energy energy zscore r-energy energy zscore r-energy energy zscore r-energy energy zscore r-energy energy zscore r-energy energy r-energy energy r-energy energy r-energy energy r-energy energy r-energy energy pos. comp.
1FPM_A c.37.1.10 220.13.13.2 NONE -143.395 0 1 99.63% 54.07% OPTM -2470.309 -1774.390 30.663 0.698 0.873 0.989 0.994 197.020 -241.1 58.170 1793.000 -1867.5 87.940 1737.500 -1898.5 7.620 54.450 -101.8 6.030 35.450 -127.6 33.920 312.320 -299.7 65.950 259.240 -317.8 41.500 273.840 -346.9 73.690 251.790 -358.3 -30.000 183.000 -411.0 -30.000 154.000 -414.0 81.990 2554.000 -2376.0 355.950 2330.000 -2407.0 16.320 308.000 -525.0 26.830 276.000 -547.0 5.000 -999.0 -2.897 -7.2 0.000 -9.3e+061 5.000 -999.0 0.204 -1.0 0.69 0.87
alignment source: OPTM
+++ there is a problem with all-atom model, click here for details
---HHHHHHH----HHHHHH-----EE--HHHHHH--------EEEEEE-----------EHHHHHHHHHHH----EEEE
Query: 1 MKPIKEIADQLELKDDILYPYGHYIAKIDHRFLKSLENHEDGKLILVTAVTPTPAGEGKTTTSIGLSMSLNRIGKKSIVT 80
Sbjct: 16 MKPVMELARGLGIQEDEVELYGKYKAKISLDVYRRLKDKPDGKLILVTAITPTPAGEGKTTTSVGLTDALARLGKRVMVC 95
--HHHHHH--------EEE-----EEE-HHHHHHH------EEEEEEE---------HHHHHHHHHHHHHH----EEEEE
E--------EE----------EEEE------------HHHHHHHHHHHHHHHHHHHH----------EEEEEEEE---HH
Query: 81 LREPSLGPTLGLKGGATGGGRSRVLPSDEINLHFTGDMHAVASAHNLLAAVLDSHIKHGNELKIDITRVFWKRTMDMNDR 160
Sbjct: 96 LREPSLGPSFGIKGGAAGGGYAQVVPMEDINLHFTGDIHAVTYAHNLLAAMVDNHLQQGNVLNIDPRTITWRRVIDLNDR 175
-----HHHHHH----EEE--EEE--HHHH------HHHHHHHHHHHHHHHHHHHHH---------------EEE------
HHHHEEE---------------EHHHHHHHHHHHHHH--HHHHHHHH--EEEEEE----EEEE-----HHHHHHHHHHH-
Query: 161 ALRSIVIGLGGSANGFPREDSFIITAASEVMAILALSENMKDLKERLGKIIVALDADRKIVRISDLGIQGAMAVLLKDAI 240
Sbjct: 176 ALRNIVIGLGGKANGVPRETGFDISVASEVMACLCLASDLMDLKERFSRIVVGYTYDGKPVTAGDLEAQGSMALLMKDAI 255
---EEE----------EEE-EEE----HHHHHH-----HHHHHHHH---EEEE-----EEE------HHHHHHHH-----
---HHHH-----EEEE----HHHH---HHHHHHHHHHH---EEEEE--------HHHHHHHHH--------EEEEEEEHH
Query: 241 NPNLVQTTEGTPALIHCGPFANIAHGTNSIIATKMAMKLSEYTVTEAGFGADLGAEKFIDFVSRVGGFYPNAAVLVATVR 320
Sbjct: 256 KPNLVQTLENTPAFIHGGPFANIAHGCNSIIATKTALKLADYVVTEAGFGADLGAEKFYDVKCRYAGFKPDATVIVATVR 335
--EEE-----EEEE--------------HHHHHHHHH---EEEEE-------HHHHHHH-HHHHH-----EEEEEE-HHH
HHH------HHH-----HHHHHHHHHHHHHHHHHHHH----EEEEE-------HHHHHHHHHHHHH----EEEEEEE---
Query: 321 ALKYHGGANLKNIHEENLEALKEGFKNLRVHVENLRKFNLPVVVALNRFSTDTEKEIAYVVKECEKLGVRVAVSEVFKKG 400
Sbjct: 336 ALKMHGGVPKSDLATENLEALREGFANLEKHIENIGKFGVPAVVAINAFPTDTEAELNLLYELCAKAGAEVALS--WAKG 413
HHHH------------HHHHHHHHHHHHHHHHHHH-----EEEEEE------HHHHHHHHHH-------EE-HH HH--
-HHHHHHHHHHHHHH------- -------HHHHHHHHHHHH-----EE--HHHHHHHHHHHH------EEEEE-----
Query: 401 SEGGVELAKAVAEAAKDVEPAY--LYEMNDPVEKKIEILAKEIYRAGRVEFSDTAKNALKFIKKHGFDELPVIVAKTPKS 478
Sbjct: 414 GEGGLELARKVLQTLESRPSNFHVLYNLDLSIKDKIAKIATEIYGADGVNYTAEADKAIQRYESLGYGNLPVVMAKTQYS 493
---HHHHHHHHHHHHH--------------HHHHHHHHHHH-----EEEE-HHHHHHHHHHHH-----------------
--------------EEEEEEEEEE----EEEEE---------------EEEEEE----EEEE
Query: 479 ISHDPSLRGAPEGYTFVVSDLFVSAGAGFVVALSGDINLMPGLPKKPNALNMDVDDSGNIVG 540
Sbjct: 494 FSDDMTKLGRPRNFTITVREVRLSAGGRLIVPITGAIMTMPGLPKRPAACNIDIDADGVITG 555
-------------EEEE---EEE---EEE----------------------EE----EE--G
540 residues (99.63%) of query sequence aligned
--> hit 2 [All-atom model (PDB)] [view all-atom model (PDB) with Chime] [PIR alignment file] [PDB file (backbone only)] [view PDB file (backbone only) with Chime] [hit list]
secondary structure: 31.18% helical, 18.08% extended, 50.74% loops/other (query: 36.16% 19.00% 44.83%)
SCOP classification: [Alpha and beta proteins (a/b)]/[P-loop containing nucleoside triphosphate hydrolases]
name SCOP SCOP_stat confidence score homolog hits length seq. align ENE TE13 old CGenergy SIFT2 tma1 tma2 |-------OPTM------| |-------SEQ (global)-------| |-------SEQ (local)-------| |-------TRD (global)-------| |-------TRD (local)-------| |-------TRS (global)-------| |-------TRS (local)-------| |-------TSS (global)-------| |-------TSS (local)-------| |-------TSC (global)-------| |-------TSC (local)-------| |-------PSM (global)-------| |-------PSM (local)-------| |-------SRF (global)-------| |-------SRF (local)-------| |-------TBLS------| |-------KMER------| |-------CFTR------| |-------TBSS------| |-------SBLS------| sec. str.
(%) ident. src. all-atom all-atom score all-atom all-atom all-atom all-atom r-energy energy zscore r-energy energy zscore r-energy energy zscore r-energy energy zscore r-energy energy zscore r-energy energy zscore r-energy energy zscore r-energy energy zscore r-energy energy zscore r-energy energy zscore r-energy energy zscore r-energy energy zscore r-energy energy zscore r-energy energy zscore r-energy energy r-energy energy r-energy energy r-energy energy r-energy energy r-energy energy pos. comp.
1EG7_A c.37.1.10 220.13.13.2 NONE -143.479 0 1 99.63% 53.33% OPTM -2332.550 -1969.550 30.368 0.718 0.902 0.989 0.995 197.220 -243.1 59.170 1772.500 -1853.5 92.520 1728.000 -1884.0 8.480 72.350 -112.9 10.240 50.950 -118.9 33.570 325.510 -306.0 75.040 290.450 -323.0 42.730 281.100 -354.4 59.610 253.990 -365.3 -30.000 187.000 -418.0 -30.000 158.000 -421.0 80.930 2555.000 -2376.0 354.780 2329.000 -2407.0 17.020 303.000 -521.0 24.810 270.000 -541.0 5.000 -999.0 -2.900 -7.2 0.000 -9.3e+061 5.000 -999.0 -0.036 -1.0 0.28 0.88
alignment source: OPTM
+++ there is a problem with all-atom model, click here for details
---HHHHHHH----HHHHHH-----EE--HHHHHH--------EEEEEE-----------EHHHHHHHHHHH----EEEE
Query: 1 MKPIKEIADQLELKDDILYPYGHYIAKIDHRFLKSLENHEDGKLILVTAVTPTPAGEGKTTTSIGLSMSLNRIGKKSIVT 80
Sbjct: 1016 MKPVMELARGLGIQEDEVELYGKYKAKISLDVYRRLKDKPDGKLILVTAITPTPAGEGKTTTSVGLTDALARLGKRVMVC 1095
--HHHHHH--------EEE-----EEE--HHHHHH------EEEEEEE---------HHHHHHHHHHHHHH----EEEEE
E--------EE----------EEEE------------HHHHHHHHHHHHHHHHHHHH----------EEEEEEEE---HH
Query: 81 LREPSLGPTLGLKGGATGGGRSRVLPSDEINLHFTGDMHAVASAHNLLAAVLDSHIKHGNELKIDITRVFWKRTMDMNDR 160
Sbjct: 1096 LREPSLGPSFGIKGGAAGGGYAQVVPMEDINLHFTGDIHAVTYAHNLLAAMVDNHLQQGNVLNIDPRTITWRRVIDLNER 1175
------HHHH------EE--EEEE-HHHHH-----HHHHHHHHHHHHHHHHHHHHH---------------EEE------
HHHHEEE---------------EHHHHHHHHHHHHHH--HHHHHHHH--EEEEEE----EEEE-----HHHHHHHHHHH-
Query: 161 ALRSIVIGLGGSANGFPREDSFIITAASEVMAILALSENMKDLKERLGKIIVALDADRKIVRISDLGIQGAMAVLLKDAI 240
Sbjct: 1176 ALRNIVIGLGGKANGVPRETGFDISVASEVMACLCLASDLMDLKERFSRKVVGYTYDGKPVTAGDLEAQGSMALLMKDAI 1255
---EEE----------EEE-EEE----HHHHHHHH---HHHHHHHHH--EEEE-----EEE------HHHHHHH------
---HHHH-----EEEE----HHHH---HHHHHHHHHHH---EEEEE--------HHHHHHHHH--------EEEEEEEHH
Query: 241 NPNLVQTTEGTPALIHCGPFANIAHGTNSIIATKMAMKLSEYTVTEAGFGADLGAEKFIDFVSRVGGFYPNAAVLVATVR 320
Sbjct: 1256 KPNLVQTLENTPAFIHGGPFANIAHGCNSIIATKTALKLADYVVTEAGFGADLGAEKFYDVKCRYAGFKPDATVIVATVR 1335
-EEEEE----EEEE--------------HHHHHHHHHH--EEEEE-------HHHHHHH-HHHHH-----EEEEEE-HHH
HHH------HHH-----HHHHHHHHHHHHHHHHHHHH----EEEEE-------HHHHHHHHHHHHH----EEEEEEE---
Query: 321 ALKYHGGANLKNIHEENLEALKEGFKNLRVHVENLRKFNLPVVVALNRFSTDTEKEIAYVVKECEKLGVRVAVSEVFKKG 400
Sbjct: 1336 ALKMHGGVPKSDLATENLEALREGFANLEKHIENIGKFGVPAVVAINAFPTDTEAELNLLYELCAKAG--AEVALSWAKG 1413
HHH-------------HHHHHHHHHHHHHHHHHHH-----EEEEEE------HHHHHHHHHH----EE EEE-------
-HHHHHHHHHHHHHH------- -------HHHHHHHHHHHH-----EE--HHHHHHHHHHHH------EEEEE-----
Query: 401 SEGGVELAKAVAEAAKDVEPAY--LYEMNDPVEKKIEILAKEIYRAGRVEFSDTAKNALKFIKKHGFDELPVIVAKTPKS 478
Sbjct: 1414 GEGGLELARKVLQTLESRPSNFHVLYNLDLSIKDKIAKIATEIYGADGVNYTAEADKAIQRYESLGYGNLPVVMAKTQYS 1493
---HHHHHHHHHHHHH--------------HHHHHHHHHHH-----EEEE-HHHHHHHHHHHH-------EEEE------
--------------EEEEEEEEEE----EEEEE---------------EEEEEE----EEEE
Query: 479 ISHDPSLRGAPEGYTFVVSDLFVSAGAGFVVALSGDINLMPGLPKKPNALNMDVDDSGNIVG 540
Sbjct: 1494 FSDDMTKLGRPRNFTITVREVRLSAGGRLIVPITGAIMTMPGLPKRPAACNIDIDADGVITG 1555
-------------EEEE---EEE---EEEEE--------------------EE----EE--G
540 residues (99.63%) of query sequence aligned
--> hit 3 [All-atom model (PDB)] [view all-atom model (PDB) with Chime] [PIR alignment file] [PDB file (backbone only)] [view PDB file (backbone only) with Chime] [hit list]
secondary structure: 31.22% helical, 17.03% extended, 51.75% loops/other (query: 36.16% 19.00% 44.83%)
SCOP classification: [Alpha and beta proteins (a/b)]/[ClpP/crotonase]
name SCOP SCOP_stat confidence score homolog hits length seq. align ENE TE13 old CGenergy SIFT2 tma1 tma2 |-------OPTM------| |-------SEQ (global)-------| |-------SEQ (local)-------| |-------TRD (global)-------| |-------TRD (local)-------| |-------TRS (global)-------| |-------TRS (local)-------| |-------TSS (global)-------| |-------TSS (local)-------| |-------TSC (global)-------| |-------TSC (local)-------| |-------PSM (global)-------| |-------PSM (local)-------| |-------SRF (global)-------| |-------SRF (local)-------| |-------TBLS------| |-------KMER------| |-------CFTR------| |-------TBSS------| |-------SBLS------| sec. str.
(%) ident. src. all-atom all-atom score all-atom all-atom all-atom all-atom r-energy energy zscore r-energy energy zscore r-energy energy zscore r-energy energy zscore r-energy energy zscore r-energy energy zscore r-energy energy zscore r-energy energy zscore r-energy energy zscore r-energy energy zscore r-energy energy zscore r-energy energy zscore r-energy energy zscore r-energy energy zscore r-energy energy r-energy energy r-energy energy r-energy energy r-energy energy r-energy energy pos. comp.
1VRG_A c.14.1.4 220.2.2.2 NONE -999.000 0 1 79.89% 12.31% OPTM -912.629 -481.570 1.758 0.409 0.144 0.717 0.773 10.190 -41.8 -0.010 2.500 -96.5 1.690 39.000 -209.5 1.030 6.140 -33.3 0.510 -0.590 -67.3 0.740 4.890 28.5 -0.970 -3.700 -28.1 2.930 18.380 -53.8 3.890 8.520 -92.1 -30.000 44.000 -238.0 -30.000 26.000 -256.0 2.930 112.000 -4.0 4.460 37.000 -90.0 -1.760 0.000 -100.0 6.490 69.000 -277.0 5.000 -0.5 -0.502 -11.7 -363.000 750.0 5.000 -0.5 -0.523 0.5 0.44 0.86
alignment source: OPTM
+++ there is a problem with all-atom model, click here for details
HHHHHHH--- -HHHHHH-----EE-- HHHHHH--------EEEEEE-----------EHHHHHHHHHHH
Query: 4 IKEIADQLEL----KDDILYPYGHYIAKID-------HRFLKSLENHEDGKLILVTAVTPTPAGEGKTTTSIGLSMSLNR 72
Sbjct: 26 VEKQHRAGKLTAWERLELLLDPGTFVEIDKFVEHRNTYFGLDKVKLPRDGVITGVGEING-------------------- 85
HHHHH-----HHHHHHHH------EEE----------------------EEEEEEEE--E
----EEEEE--------EE--- -------EEEE------------HHHHHHHHHHHHHHHHHHHH-------
Query: 73 IGKKSIVTLREPSLGPTLGLKG--------GATGGGRSRVLPSDEINLHFTGDMHAVASAHNLLAAVLDSHIKHGNELKI 144
Sbjct: 86 --RKVAVFSQDFTVGGSLGEHAKKIVKLLDLALKGIPVIGINDSGGARIQEG----VDALAGYGEIFLRNTLASG--VVP 157
EEEEEEE-----------HHHHHHHHHHHH----EEEEEEE--------H HHHHHHHHHHHHHHHH--- --E
---EEEEEEEE---HHHHHHEEE---------------EHHHHHHHHHHHHHH--HHHHHHHH--EEEEEE---- E
Query: 145 DITRVFWKRTMDMNDRALRSIVIGLGGSANGFPREDSFIITAASEVMAILALSENMKDLKERLGKIIVALDADRK----I 220
Sbjct: 158 QITVIAGPCAGGAVYSPALTDFIVVDQTARFITG---------PNVIKAVTGEEISQ--EDLGGAV-----HNQKSGNAH 221
EEEEEEEE-----HHHHH--EE-----------H HHHHHHH-----HH HHH---- ---------
EEE-----HHHHHHHHHHH----HHHH-----EEEE--- -HHHH- --HHHHHHHHHHH---EEEEE----
Query: 221 VRISDLGIQGAMAVLLKDAINPNLVQTTEGTPALIHCGP--FANIAH-----GTNSIIATKMAMKLSEYTVTEAGFG--- 290
Sbjct: 222 FLADNDEKASLVRTLLSYLPSNNAEEPPVEDPDTSLETPEDILDILPDNPNKGYDVRDVIKRVVDHGEFFEVQPYFAKNI 301
---------HHHHHH----------------------------------------HHHHHHH------EEE-------EE
----HHHHHHHHH--------EEEEEEEHHHHH------HHH-----HHHHHHHHHHHHHHHHHHHH----EEEEE
Query: 291 ----ADLGAEKFIDFVSRVGGFYPNAAVLVATVRALKYHGGANLKNIHEENLEALKEGFKNLRVHVENLRKFNLPVVVAL 366
Sbjct: 302 VIGFARIQG---------------KTVGIVANQPSV-LAGVLDI------------DSSDKAARFIRFLDAFNIPILTFV 353
EEEEEE--E EEEEEEE----- -----HH HHHHHHHHHHHHHH----EEEEEE
------- HHHHHHHHHHHHH----EEEEEEE----HHHHHHHHHHHHHH--------------HHHHHHHH
Query: 367 NRFSTDT---------EKEIAYVVKECEKLGVRVAVSEVFKKGSEGGVELAKAVAEAAKDVEPAYLYEMNDPVEKKIEIL 437
Sbjct: 354 DTPGYLPGVAQEHGGIIRHGAKLLYAYSEATV-PKITVILRKAYGGAYIAG--SKHLGADVLAWPSAEIAVGPEGAANII 430
E------HHHHH--HHHHHHHHHHHHHH---- EEEEEEEEEEHHHHH--- -------EE----EEE--HHHHHHHH-
HHHH-----EE--HHHHHHHHHHHH----
Query: 438 -AKEIYRAGRVEFSDTAKNALKFIKKHGFD 466
Sbjct: 431 FKREIEASS--NPEETRRKLIEEYKQQFAN 458
HHHHHH--- HHHHHHHHHHHHHHH---H
433 residues (79.89%) of query sequence aligned
--> hit 4 [All-atom model (PDB)] [view all-atom model (PDB) with Chime] [PIR alignment file] [PDB file (backbone only)] [view PDB file (backbone only) with Chime] [hit list]
secondary structure: 40.00% helical, 5.44% extended, 54.56% loops/other (query: 36.16% 19.00% 44.83%)
SCOP classification: [Alpha and beta proteins (a/b)]/[TIM beta/alpha-barrel]
name SCOP SCOP_stat confidence score homolog hits length seq. align ENE TE13 old CGenergy SIFT2 tma1 tma2 |-------OPTM------| |-------SEQ (global)-------| |-------SEQ (local)-------| |-------TRD (global)-------| |-------TRD (local)-------| |-------TRS (global)-------| |-------TRS (local)-------| |-------TSS (global)-------| |-------TSS (local)-------| |-------TSC (global)-------| |-------TSC (local)-------| |-------PSM (global)-------| |-------PSM (local)-------| |-------SRF (global)-------| |-------SRF (local)-------| |-------TBLS------| |-------KMER------| |-------CFTR------| |-------TBSS------| |-------SBLS------| sec. str.
(%) ident. src. all-atom all-atom score all-atom all-atom all-atom all-atom r-energy energy zscore r-energy energy zscore r-energy energy zscore r-energy energy zscore r-energy energy zscore r-energy energy zscore r-energy energy zscore r-energy energy zscore r-energy energy zscore r-energy energy zscore r-energy energy zscore r-energy energy zscore r-energy energy zscore r-energy energy zscore r-energy energy r-energy energy r-energy energy r-energy energy r-energy energy r-energy energy pos. comp.
c.1.19.1.1_A c.1.19.1 220.75.2.2 NONE -999.000 0 1 71.77% 8.69% OPTM -742.650 -421.090 1.436 0.417 0.180 0.532 0.649 2.000 -50.8 1.930 48.500 -132.5 0.330 11.500 -164.0 -0.350 -14.280 -37.5 1.480 3.750 -70.2 0.550 -9.120 13.1 0.180 1.830 -35.3 -0.350 -24.000 -59.6 3.810 -6.260 -94.3 -30.000 -61.000 -216.0 -30.000 -35.000 -249.0 1.040 42.000 62.0 0.220 -17.000 -65.0 3.990 124.000 -249.0 5.720 54.000 -325.0 5.000 -0.8 -0.051 -10.1 -280.000 795.0 5.000 -0.8 -0.027 0.1 0.15 0.65
alignment source: OPTM
+++ there is a problem with all-atom model, click here for details
-HHHHHH-----EE-- HHHHHH- -------EEEEEE-----------EHHHHHHHHHHH----EEEEE--------EE
Query: 14 KDDILYPYGHYIAKID-HRFLKSL-ENHEDGKLILVTAVTPTPAGEGKTTTSIGLSMSLNRIGKKSIVTLREPSLGPTLG 91
Sbjct: 129 NPRVAGDVGMAGVAIDSIYDMRELFAGIPLDQMSVSMTMNGA-----VLPILALYVVTAEEQG------VKPEQLAGTIQ 197
----------------HHHHHHH----------EEEE----H HHHHHHHHHHHHH--- ------EEE--
----------EEEE------------HHHHHHHHHHHHHHHHHHHH----------EEEEEEEE---HHHHHHEEE----
Query: 92 LKGGATGGGRSRVLPSDEINLHFTGDMHAVASAHNLLAAVLDSHIKHGNELKIDITRVFWKRTMDMNDRALRSIVIGLGG 171
Sbjct: 198 NDILKEFMVR---------NTYIYP---PQPSMRIISEIFAYTSANMPK----------WNSISISGYHMQEAGA----- 250
--HHHHH--- -----H HHHHHHHHHHHHHHHHH---E E-EEEE-HHHHHH---
-----------EHHHHHHHHHHHHHH--HHH HHHHH--EEEEEE----EEEE-----HHHHHHHHHHH----HHHH
Query: 172 SANGFPREDSFIITAASEVMAILALSENMKD----LKERLGKIIVALDADRKIVRISDLGIQGAMAVLLKDAINPNLVQT 247
Sbjct: 251 ---------TADIEMAYTLADGVDYIRAGESVGLNVDQFAPRLSFFWGIGM------NFFMEVAKLRAARMLWAKLVHQF 315
HHHHHHHHHHHHHHHHHHHHH----HHHH---EEEEEEE--- HHHHHHHHHHHHHHHHHHHH---
----- EEEE----HHHH--- HHHHHHHHHHH---EEEEE-------- HHHHHHHHH---
Query: 248 TEGTP------ALIHCGPFANIAHGT-----NSIIATKMAMKLSEYTVTEAGFGADLG----------AEKFIDFVSRVG 306
Sbjct: 316 GPKNPKSMSLRTHSQTSGWSLTAQDVYNNVVRTCIEAMAATQGHTQSLHTNSLDEAIALPTDFSARIARNTQLFLQQESG 395
----------EEEEE-----------HHHHHHHHHHHHHHH----EEE------------HHHHHHHHHHHHHHHH----
-----EEEEEEEHHHHH------HHH-----HHHHHHHHHHHHHHHHHHHH----EEEEE-------HHHHHHHHHHHHH
Query: 307 GFYPNAAVLVATVRALKYHGGANLKNIHEENLEALKEGFKNLRVHVENLRKFNLPVVVALNRFSTDTEKEIAYVVKECEK 386
Sbjct: 396 TTRV-----------IDPWSG------SAYVEELTWDLARKAWGHIQEVEKVGG-------------------MAKAIEK 439
---- ------ HHHHHHHHHHHHHHHHHHHHHHH---H HHHHH--
----EEEEEEE----HHHHHHHHHHHHHH---- ---------- HHHHHHHHHHHH-----
Query: 387 LGVRVAVSEVFKKGSEGGVELAKAVAEAAKDVE------PAYLYEMNDP--------------VEKKIEILAKEIYRAGR 446
Sbjct: 440 G-----------IPKMRIEEAAARTQARIDSGRQPLIGVNKYRLEHEPPLDVLKVDNSTVLAEQKAKLVKLRAERD---- 504
H HHHHHHHHHHHHHHHHHH-------------------------HHHHHHHHHHHHHHHHHH--H
EE--HHHHHHHHHHHH
Query: 447 VEFSDTAKNALKFIKK 462
Sbjct: 505 ---PEKVKAALDKITW 517
HHHHHHHHHHHHH
389 residues (71.77%) of query sequence aligned
--> hit 5 [All-atom model (PDB)] [view all-atom model (PDB) with Chime] [PIR alignment file] [PDB file (backbone only)] [view PDB file (backbone only) with Chime] [hit list]
secondary structure: 35.58% helical, 16.92% extended, 47.50% loops/other (query: 36.16% 19.00% 44.83%)
SCOP classification: [Alpha and beta proteins (a/b)]/[ClpP/crotonase]
name SCOP SCOP_stat confidence score homolog hits length seq. align ENE TE13 old CGenergy SIFT2 tma1 tma2 |-------OPTM------| |-------SEQ (global)-------| |-------SEQ (local)-------| |-------TRD (global)-------| |-------TRD (local)-------| |-------TRS (global)-------| |-------TRS (local)-------| |-------TSS (global)-------| |-------TSS (local)-------| |-------TSC (global)-------| |-------TSC (local)-------| |-------PSM (global)-------| |-------PSM (local)-------| |-------SRF (global)-------| |-------SRF (local)-------| |-------TBLS------| |-------KMER------| |-------CFTR------| |-------TBSS------| |-------SBLS------| sec. str.
(%) ident. src. all-atom all-atom score all-atom all-atom all-atom all-atom r-energy energy zscore r-energy energy zscore r-energy energy zscore r-energy energy zscore r-energy energy zscore r-energy energy zscore r-energy energy zscore r-energy energy zscore r-energy energy zscore r-energy energy zscore r-energy energy zscore r-energy energy zscore r-energy energy zscore r-energy energy zscore r-energy energy r-energy energy r-energy energy r-energy energy r-energy energy r-energy energy pos. comp.
1XNV_A c.14.1.4 220.2.2.2 NONE -999.000 0 1 90.04% 13.93% OPTM -518.676 -555.590 1.432 0.432 0.198 0.624 0.663 3.640 -45.4 -0.910 -8.500 -74.5 1.600 37.500 -198.0 -0.730 -9.150 -37.3 -0.450 -10.630 -66.4 -0.130 -12.640 17.9 0.580 -4.970 -41.8 0.950 3.290 -56.0 4.860 -0.480 -91.0 -30.000 34.000 -238.0 -30.000 21.000 -259.0 2.680 89.000 9.0 3.620 30.000 -85.0 0.510 42.000 -154.0 8.050 77.000 -288.0 5.000 -0.3 -0.397 -11.5 -247.000 610.0 5.000 -0.3 -0.161 0.2 0.44 0.95
alignment source: OPTM
+++ there is a problem with all-atom model, click here for details
HHHHHHH----H HHHHH-----EE-- HHHHHH----- ---EEEEEE-----------EH
Query: 4 IKEIADQLELKD----DILYPYGHYIAKID-------HRFLKSLENHE----------DGKLILVTAVTPTPAGEGKTTT 62
Sbjct: 37 VEKQHAKGKLTARERIDLLLDEGSFVELDEFARHRSTNFGLDANRPYGDGVVTGYGTVDGRPVAVFSQDFTVFG-GALGE 115
HHHHH-----HHHHHHHH------EEE----------------------EEEEEEEE--EEEEEEEE------- ---HH
HHHHHHH HHH----EEEEE--- -----EE--------- -EEE
Query: 63 SIGLSMS-----LNRIGKKSIVTLREP-------------------------SLGPTLGLKGGATGGG--------RSRV 104
Sbjct: 116 VYGQKIVKVMDFALKTGCPVVGINDSGGARIQEGVASLGAYGEIFRRNTHASGVIPQISLVVGPCAGGAVYSPAITDFTV 195
HHHHHHHHHHHHHHH---EEEEE----------HHHHHHHHHHHHHHHHH-----EEEEE--EEE----HHHHH--EEEE
E------------HHHHHHHH HHHHHHHHHHHH----------EEEEEEEE--- HHHHHHEEE-----
Query: 105 LPSDEINLHFTGDMHAVASAH-----NLLAAVLDSHIKHGNELKIDITRVFWKRTMDMN-------DRALRSIVIGLGGS 172
Sbjct: 196 MVDQTSHMFITG-PDVIKTVTGEDVGFEELGGARTHNSTSG---------VAHHMAGDEKDAVEYVKQLLSYLPSNNLSE 265
E----EEE---H HHHHHHH-----HHHHH-HHHHHH---- --EEE--HHHHHHHHHHHHHH---------
---------- EHHHHHHHHHHHHHH-- HHHHHHHH--EEEEEE----EEEE-----HHHHHHHHHHH----HHHH
Query: 173 ANGFPREDSF-IITAASEVMAILALSEN----MKDLKERLGKIIVALDADRKIVRISDLGIQGAMAVLLKDAINPNLVQT 247
Sbjct: 266 PPAFPEEADLAVTDEDAELDTIVPDSANQPYDMHSVIEHVLD-------DAEFFETQPL-------------FAP----- 320
------------HHHHH--------------HHHHHHHH--- ---EEE---- ---
-----EEEE----HHHH---HHHHHHHHHHH---EEEEE-------- HHHHHHHHH--------EEEEEEEHHH
Query: 248 TEGTPALIHCGPFANIAHGTNSIIATKMAMKLSEYTVTEAGFGADLG------AEKFIDFVSRVGGFYPNAAVLVATVRA 321
Sbjct: 321 ----NILTGFGRVEG-----------------RPVGIVANQPMQFAGCLDITASEKAARFVRTCDAFNVPVLTFVDVPG- 378
EEEEEEEE--E EEEEEEE----------HHHHHHHHHHHHHHHH----EEEEEEE---
HH------HHH-----HHHHHHHHHHHHHHHHHHHH----EEEEE-------HHHHHHHHHHHHH----EEEE EEE
Query: 322 LKYHGGANLKNIHEENLEALKEGFKNLRVHVENLRKFNLPVVVALNRFSTDTEKEIAYVVKECEKLGVRVAVS----EVF 397
Sbjct: 379 --FLPGVDQEHDG------IIRRGAKLIFAYAEA---TVPLITVITRKAFG----GAYDVMGSKHLGADLNLAWPTAQIA 443
---HHHHH--H HHHHHHHHHHHHH-- --EEEEEEEEEEHH HHHH---------EEEE----EEE-
----HHHHHHHHHHHHHH--------------HHHHHHHHHHHH- ----EE-- HHHHHHHHHHHH-
Query: 398 KKGSEGGVELAKAVAEAAKDVEPAYLYEMNDPVEKKIEILAKEIY-------------RAGRVEFS-DTAKNALKFIKKH 463
Sbjct: 444 VMGAQGAVNILH--RRTIADA--------GDDAEATRARLIQEYEDALLNPYTAAERGYVDAVIMPSDTRRHIVRGLRQL 513
--HHHHHHHH-H HHHH--- --HHHHHHHHHHHHHHHH---HHHHH-----EE-----HHHHHHHHHHHH-
-----EEEEE------------------
Query: 464 GFDELPVIVAKTPKSISHDPSLRGAPEG 491
Sbjct: 514 RT-----------KRESLPPKKHGNIPL 530
-- --------------L
488 residues (90.04%) of query sequence aligned
DONE: Wed Aug 13 02:13:40 2008 EST