Complet list of 4hir hssp file
Complete list of 4hir.hssp file
HSSP HOMOLOGY DERIVED SECONDARY STRUCTURE OF PROTEINS , VERSION 2.0 2011
PDBID 4HIR
THRESHOLD according to: t(L)=(290.15 * L ** -0.562) + 5
REFERENCE Sander C., Schneider R. : Database of homology-derived protein structures. Proteins, 9:56-68 (1991).
CONTACT Maintained at http://www.cmbi.ru.nl/ by Maarten L. Hekkelman
DATE file generated on 2014-01-09
HEADER COAGULATION INHIBITOR 1990-01-15 4HIR
COMPND HIRUDIN VARIANT-1
SOURCE Hirudo medicinalis
AUTHOR Clore, G.M.; Gronenborn, A.M.
SEQLENGTH 49
NCHAIN 1 chain(s) in 4HIR data set
NALIGN 17
NOTATION : ID: EMBL/SWISSPROT identifier of the aligned (homologous) protein
NOTATION : STRID: if the 3-D structure of the aligned protein is known, then STRID is the Protein Data Bank identifier as taken
NOTATION : from the database reference or DR-line of the EMBL/SWISSPROT entry
NOTATION : %IDE: percentage of residue identity of the alignment
NOTATION : %SIM (%WSIM): (weighted) similarity of the alignment
NOTATION : IFIR/ILAS: first and last residue of the alignment in the test sequence
NOTATION : JFIR/JLAS: first and last residue of the alignment in the alignend protein
NOTATION : LALI: length of the alignment excluding insertions and deletions
NOTATION : NGAP: number of insertions and deletions in the alignment
NOTATION : LGAP: total length of all insertions and deletions
NOTATION : LSEQ2: length of the entire sequence of the aligned protein
NOTATION : ACCNUM: SwissProt accession number
NOTATION : PROTEIN: one-line description of aligned protein
NOTATION : SeqNo,PDBNo,AA,STRUCTURE,BP1,BP2,ACC: sequential and PDB residue numbers, amino acid (lower case = Cys), secondary
NOTATION : structure, bridge partners, solvent exposure as in DSSP (Kabsch and Sander, Biopolymers 22, 2577-2637(1983)
NOTATION : VAR: sequence variability on a scale of 0-100 as derived from the NALIGN alignments
NOTATION : pair of lower case characters (AvaK) in the alignend sequence bracket a point of insertion in this sequence
NOTATION : dots (....) in the alignend sequence indicate points of deletion in this sequence
NOTATION : SEQUENCE PROFILE: relative frequency of an amino acid type at each position. Asx and Glx are in their
NOTATION : acid/amide form in proportion to their database frequencies
NOTATION : NOCC: number of aligned sequences spanning this position (including the test sequence)
NOTATION : NDEL: number of sequences with a deletion in the test protein at this position
NOTATION : NINS: number of sequences with an insertion in the test protein at this position
NOTATION : ENTROPY: entropy measure of sequence variability at this position
NOTATION : RELENT: relative entropy, i.e. entropy normalized to the range 0-100
NOTATION : WEIGHT: conservation weight
## PROTEINS : identifier and alignment statistics
NR. ID STRID %IDE %WSIM IFIR ILAS JFIR JLAS LALI NGAP LGAP LSEQ2 ACCNUM PROTEIN
1 : HIRUD_POEVI 0.98 0.98 1 49 1 49 49 0 0 63 P84590 Hirudin OS=Poecilobdella viridis PE=1 SV=1
2 : HIRV1_HIRME 2ZO3 0.98 0.98 1 49 1 49 49 0 0 65 P01050 Hirudin variant-1 OS=Hirudo medicinalis PE=1 SV=1
3 : HIR3C_HIRME 1ZGI 0.94 0.98 1 49 1 49 49 0 0 65 P28511 Hirudin-3B' OS=Hirudo medicinalis PE=1 SV=1
4 : HIR3_HIRME 1HDT 0.94 0.98 1 49 1 49 49 0 0 65 P28509 Hirudin-3 OS=Hirudo medicinalis PE=1 SV=1
5 : HIR3A_HIRME 1VIT 0.92 0.98 1 49 1 49 49 0 0 65 P28507 Hirudin-3A OS=Hirudo medicinalis PE=1 SV=1
6 : HIR3B_HIRME 4N3L 0.92 0.98 1 49 1 49 49 0 0 65 P28510 Hirudin-3B OS=Hirudo medicinalis PE=1 SV=1
7 : HIR3P_HIRME 1DWB 0.90 0.98 1 49 1 49 49 0 0 65 P28508 Hirudin-3A' OS=Hirudo medicinalis PE=1 SV=1
8 : HIR2A_HIRME 2V3H 0.88 0.92 1 49 1 49 49 0 0 65 P28503 Hirudin-2A OS=Hirudo medicinalis PE=1 SV=1
9 : HIR2B_HIRME 1RIW 0.88 0.94 1 49 1 49 49 0 0 65 P28506 Hirudin-2B OS=Hirudo medicinalis PE=1 SV=1
10 : HIR2_HIRME 1ZRB 0.86 0.94 1 49 1 49 49 0 0 65 P28504 Hirudin-2 OS=Hirudo medicinalis PE=1 SV=1
11 : HIRPA_HIRME 0.86 0.92 1 49 1 49 49 0 0 66 P09944 Hirudin-PA OS=Hirudo medicinalis PE=1 SV=1
12 : HIR2P_HIRME 1TBZ 0.84 0.94 1 49 1 49 49 0 0 65 P28505 Hirudin-2' OS=Hirudo medicinalis PE=1 SV=1
13 : HIRV2_HIRME 2ZHW 0.84 0.94 1 49 8 56 49 0 0 72 P09945 Hirudin variant-2 (Fragment) OS=Hirudo medicinalis PE=1 SV=1
14 : HIRM2_HIRMA 0.71 0.82 1 49 21 67 49 1 2 84 P81492 Hirudin-HM2 OS=Hirudinaria manillensis PE=1 SV=2
15 : HIR18_HIRMA 1THR 0.61 0.71 1 49 1 45 49 3 4 62 P26631 Hirullin-P18 OS=Hirudinaria manillensis PE=1 SV=1
16 : HIRM1_HIRMA 0.61 0.78 1 49 21 67 49 1 2 84 Q07558 Hirudin-HM1 OS=Hirudinaria manillensis PE=1 SV=1
17 : HIRP6_HIRMA 0.61 0.76 1 49 1 47 49 1 2 63 P28512 Hirudin-P6 OS=Hirudinaria manillensis PE=1 SV=1
## ALIGNMENTS 1 - 17
SeqNo PDBNo AA STRUCTURE BP1 BP2 ACC NOCC VAR ....:....1....:....2....:....3....:....4....:....5....:....6....:....7
1 1 A V 0 0 172 18 23 VVVVVVVIIIIIIVVVM
2 2 A V - 0 0 124 18 85 VVVVVVVTTTTTTSSSR
3 3 A Y - 0 0 89 18 0 YYYYYYYYYYYYYYYYY
4 4 A T - 0 0 69 18 0 TTTTTTTTTTTTTTTTT
5 5 A D - 0 0 109 18 16 DDDDDDDDDDDDDDDDA
6 6 A a - 0 0 23 18 0 CCCCCCCCCCCCCCCCC
7 7 A T S S+ 0 0 93 18 0 TTTTTTTTTTTTTTTTT
8 8 A E S > S- 0 0 134 17 0 EEEEEEEEEEEEEE.EE
9 9 A S T 3 S+ 0 0 49 18 0 SSSSSSSSSSSSSSSSS
10 10 A G T 3 S+ 0 0 16 18 0 GGGGGGGGGGGGGGGGG
11 11 A Q B < -a 45 0A 44 18 5 QQQQQQEQQQQQQQQQQ
12 12 A N S S+ 0 0 16 18 14 NNNNNNDNNDNDNNNNN
13 13 A L B S+b 22 0B 30 18 59 LLLLLLLLLLLLLYYYQ
14 14 A a E S-C 22 0B 1 18 0 CCCCCCCCCCCCCCCCC
15 15 A L E +C 21 0B 29 18 9 LLLLLLLLLLLLLLLLI
16 16 A b E + 0 0B 5 18 0 CCCCCCCCCCCCCCCCC
17 17 A E E > S-C 20 0B 112 17 50 EEQEEQEEEEEEEV.VE
18 18 A G T 3 S- 0 0 78 18 13 GGGDDDGGGGGGGGGGG
19 19 A S T 3 S+ 0 0 82 18 37 SSSSSSSSSSSSSSGGN
20 20 A N E < S- C 0 17B 112 18 15 NNNNNNNNNNNDNNNND
21 21 A V E - C 0 15B 63 18 24 VVVVVVVVVVVVVVFLV
22 22 A c E +bC 13 14B 9 18 0 CCCCCCCCCCCCCCCCC
23 23 A G > + 0 0 1 18 0 GGGGGGGGGGGGGGGGG
24 24 A Q T 3 S- 0 0 147 18 61 QQQQEQENKKKKKEDGQ
25 25 A G T 3 S+ 0 0 63 18 0 GGGGGGGGGGGGGGGGG
26 26 A N S < S- 0 0 57 18 50 NNNNNNNNNNNNNKKKR
27 27 A K E -D 40 0C 49 18 54 KKKKKKKKKKKKKNHHN
28 28 A b E -D 39 0C 3 18 0 CCCCCCCCCCCCCCCCC
29 29 A I E -D 38 0C 43 18 78 IIIIIIIKIIIIIQEEQ
30 30 A L S S- 0 0 41 18 10 LLLLLLLLLLLLLLMMF
31 31 A G S S- 0 0 19 17 32 GGGGGGGGGGGGGS.DD
32 32 A S S S- 0 0 58 17 13 SSSSSSSSSSSSSS.GS
33 33 A D S S- 0 0 150 18 58 DDNNNNDDNNQNNSDSS
34 34 A G S S+ 0 0 83 18 0 GGGGGGGGGGGGGGGGG
35 35 A E S S- 0 0 131 16 53 EEEEEEEEEEKEK.S.K
36 36 A K - 0 0 157 16 54 KKKKKKKEEEDEG.E.K
37 37 A N + 0 0 76 17 0 NNNNNNNNNNNNNNNN.
38 38 A Q E -D 29 0C 136 17 36 QQQQQQEQQQQQQQKK.
39 39 A c E +D 28 0C 53 18 0 CCCCCCCCCCCCCCCCC
40 40 A V E -D 27 0C 69 18 0 VVVVVVVVVVVVVVVVV
41 41 A T + 0 0 105 18 58 TTTTTTTTTTTTTHDDE
42 42 A G - 0 0 52 18 0 GGGGGGGGGGGGGGGGG
43 43 A E S S+ 0 0 180 18 0 EEEEEEEEEEEEEEEEE
44 44 A G - 0 0 43 18 0 GGGGGGGGGGGGGGGGG
45 45 A T B -a 11 0A 94 18 0 TTTTTTTTTTTTTTTTT
46 46 A P - 0 0 67 18 16 PPPPPPPPPPPPPPPPR
47 47 A E S S+ 0 0 41 18 22 GKKKKKKKKKKKNKKKK
48 48 A P 0 0 57 18 14 PPPPPPPPPPPPPPRPP
49 49 A Q 0 0 221 18 28 QQQQQQQQQQQQEKQKQ
## SEQUENCE PROFILE AND ENTROPY
SeqNo PDBNo V L I M F W Y G A P S T C H R K Q E N D NOCC NDEL NINS ENTROPY RELENT WEIGHT
1 1 A 61 0 33 6 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 18 0 0 0.828 27 0.76
2 2 A 44 0 0 0 0 0 0 0 0 0 17 33 0 0 6 0 0 0 0 0 18 0 0 1.186 39 0.15
3 3 A 0 0 0 0 0 0 100 0 0 0 0 0 0 0 0 0 0 0 0 0 18 0 0 0.000 0 1.00
4 4 A 0 0 0 0 0 0 0 0 0 0 0 100 0 0 0 0 0 0 0 0 18 0 0 0.000 0 1.00
5 5 A 0 0 0 0 0 0 0 0 6 0 0 0 0 0 0 0 0 0 0 94 18 0 0 0.215 7 0.83
6 6 A 0 0 0 0 0 0 0 0 0 0 0 0 100 0 0 0 0 0 0 0 18 0 0 0.000 0 1.00
7 7 A 0 0 0 0 0 0 0 0 0 0 0 100 0 0 0 0 0 0 0 0 18 1 0 0.000 0 1.00
8 8 A 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 100 0 0 17 0 0 0.000 0 1.00
9 9 A 0 0 0 0 0 0 0 0 0 0 100 0 0 0 0 0 0 0 0 0 18 0 0 0.000 0 1.00
10 10 A 0 0 0 0 0 0 0 100 0 0 0 0 0 0 0 0 0 0 0 0 18 0 0 0.000 0 1.00
11 11 A 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 94 6 0 0 18 0 0 0.215 7 0.94
12 12 A 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 83 17 18 0 0 0.451 15 0.85
13 13 A 0 78 0 0 0 0 17 0 0 0 0 0 0 0 0 0 6 0 0 0 18 0 0 0.655 21 0.41
14 14 A 0 0 0 0 0 0 0 0 0 0 0 0 100 0 0 0 0 0 0 0 18 0 0 0.000 0 1.00
15 15 A 0 94 6 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 18 0 0 0.215 7 0.90
16 16 A 0 0 0 0 0 0 0 0 0 0 0 0 100 0 0 0 0 0 0 0 18 1 0 0.000 0 1.00
17 17 A 12 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 12 76 0 0 17 0 0 0.709 23 0.50
18 18 A 0 0 0 0 0 0 0 83 0 0 0 0 0 0 0 0 0 0 0 17 18 0 0 0.451 15 0.87
19 19 A 0 0 0 0 0 0 0 11 0 0 83 0 0 0 0 0 0 0 6 0 18 0 0 0.557 18 0.63
20 20 A 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 89 11 18 0 0 0.349 11 0.85
21 21 A 89 6 0 0 6 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 18 0 0 0.426 14 0.75
22 22 A 0 0 0 0 0 0 0 0 0 0 0 0 100 0 0 0 0 0 0 0 18 0 0 0.000 0 1.00
23 23 A 0 0 0 0 0 0 0 100 0 0 0 0 0 0 0 0 0 0 0 0 18 0 0 0.000 0 1.00
24 24 A 0 0 0 0 0 0 0 6 0 0 0 0 0 0 0 28 39 17 6 6 18 0 0 1.503 50 0.38
25 25 A 0 0 0 0 0 0 0 100 0 0 0 0 0 0 0 0 0 0 0 0 18 0 0 0.000 0 1.00
26 26 A 0 0 0 0 0 0 0 0 0 0 0 0 0 0 6 17 0 0 78 0 18 0 0 0.655 21 0.49
27 27 A 0 0 0 0 0 0 0 0 0 0 0 0 0 11 0 78 0 0 11 0 18 0 0 0.684 22 0.45
28 28 A 0 0 0 0 0 0 0 0 0 0 0 0 100 0 0 0 0 0 0 0 18 0 0 0.000 0 1.00
29 29 A 0 0 72 0 0 0 0 0 0 0 0 0 0 0 0 6 11 11 0 0 18 0 0 0.884 29 0.22
30 30 A 0 83 0 11 6 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 18 1 0 0.557 18 0.90
31 31 A 0 0 0 0 0 0 0 82 0 0 6 0 0 0 0 0 0 0 0 12 17 0 0 0.578 19 0.67
32 32 A 0 0 0 0 0 0 0 6 0 0 94 0 0 0 0 0 0 0 0 0 17 0 0 0.224 7 0.86
33 33 A 0 0 0 0 0 0 0 0 0 0 17 0 0 0 0 0 6 0 44 33 18 0 0 1.186 39 0.42
34 34 A 0 0 0 0 0 0 0 100 0 0 0 0 0 0 0 0 0 0 0 0 18 2 0 0.000 0 1.00
35 35 A 0 0 0 0 0 0 0 0 0 0 6 0 0 0 0 19 0 75 0 0 16 0 0 0.703 23 0.47
36 36 A 0 0 0 0 0 0 0 6 0 0 0 0 0 0 0 56 0 31 0 6 16 1 0 1.034 34 0.45
37 37 A 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 100 0 17 0 0 0.000 0 1.00
38 38 A 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 12 82 6 0 0 17 0 0 0.578 19 0.63
39 39 A 0 0 0 0 0 0 0 0 0 0 0 0 100 0 0 0 0 0 0 0 18 0 0 0.000 0 1.00
40 40 A 100 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 18 0 0 0.000 0 1.00
41 41 A 0 0 0 0 0 0 0 0 0 0 0 78 0 6 0 0 0 6 0 11 18 0 0 0.761 25 0.41
42 42 A 0 0 0 0 0 0 0 100 0 0 0 0 0 0 0 0 0 0 0 0 18 0 0 0.000 0 1.00
43 43 A 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 100 0 0 18 0 0 0.000 0 1.00
44 44 A 0 0 0 0 0 0 0 100 0 0 0 0 0 0 0 0 0 0 0 0 18 0 0 0.000 0 1.00
45 45 A 0 0 0 0 0 0 0 0 0 0 0 100 0 0 0 0 0 0 0 0 18 0 0 0.000 0 1.00
46 46 A 0 0 0 0 0 0 0 0 0 94 0 0 0 0 6 0 0 0 0 0 18 0 0 0.215 7 0.83
47 47 A 0 0 0 0 0 0 0 6 0 0 0 0 0 0 0 83 0 6 6 0 18 0 0 0.634 21 0.77
48 48 A 0 0 0 0 0 0 0 0 0 94 0 0 0 0 6 0 0 0 0 0 18 0 0 0.215 7 0.85
49 49 A 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 11 83 6 0 0 18 0 0 0.557 18 0.71
## INSERTION LIST
AliNo IPOS JPOS Len Sequence
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