Complet list of 1iw4 hssp file
Complete list of 1iw4.hssp file
HSSP HOMOLOGY DERIVED SECONDARY STRUCTURE OF PROTEINS , VERSION 2.0 2011
PDBID 1IW4
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 2014-04-30
HEADER PROTEIN BINDING 19-APR-02 1IW4
COMPND MOL_ID: 1; MOLECULE: TRYPSIN INHIBITOR; CHAIN: A
SOURCE MOL_ID: 1; ORGANISM_SCIENTIFIC: HALOCYNTHIA RORETZI; ORGANISM_TAXID: 7
AUTHOR H.HEMMI,T.YOSHIDA,T.KUMAZAKI,N.NEMOTO,J.HASEGAWA,F.NISHIOKA, Y.KYOGOKU
DBREF 1IW4 A 1 55 UNP P16589 ITRP_HALRO 1 55
SEQLENGTH 55
NCHAIN 1 chain(s) in 1IW4 data set
NALIGN 1
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 : ITRP_HALRO 1IW4 1.00 1.00 1 55 1 55 55 0 0 55 P16589 Trypsin inhibitor OS=Halocynthia roretzi PE=1 SV=1
## ALIGNMENTS 1 - 1
SeqNo PDBNo AA STRUCTURE BP1 BP2 ACC NOCC VAR ....:....1....:....2....:....3....:....4....:....5....:....6....:....7
1 1 A A 0 0 76 2 0 A
2 2 A H B +a 49 0A 129 2 0 H
3 3 A M - 0 0 91 2 0 M
4 4 A D S S- 0 0 136 2 0 D
5 5 A a - 0 0 26 2 0 C
6 6 A T + 0 0 7 2 0 T
7 7 A E + 0 0 157 2 0 E
8 8 A F S S- 0 0 118 2 0 F
9 9 A N S S+ 0 0 155 2 0 N
10 10 A P S > S- 0 0 79 2 0 P
11 11 A L T 3 - 0 0 82 2 0 L
12 12 A b T 3 S+ 0 0 28 2 0 C
13 13 A R < + 0 0 194 2 0 R
14 14 A c + 0 0 44 2 0 C
15 15 A N + 0 0 128 2 0 N
16 16 A K - 0 0 140 2 0 K
17 17 A M + 0 0 120 2 0 M
18 18 A L S S+ 0 0 134 2 0 L
19 19 A G S S+ 0 0 53 2 0 G
20 20 A D - 0 0 82 2 0 D
21 21 A L + 0 0 55 2 0 L
22 22 A I E -B 33 0A 1 2 0 I
23 23 A d E +B 32 0A 14 2 0 C
24 24 A A E +BC 31 49A 0 2 0 A
25 25 A V E - C 0 48A 49 2 0 V
26 26 A I - 0 0 51 2 0 I
27 27 A G S S- 0 0 90 2 0 G
28 28 A D S S+ 0 0 158 2 0 D
29 29 A A + 0 0 50 2 0 A
30 30 A K + 0 0 134 2 0 K
31 31 A E E -B 24 0A 103 2 0 E
32 32 A E E -B 23 0A 53 2 0 E
33 33 A H E -B 22 0A 30 2 0 H
34 34 A R S S+ 0 0 94 2 0 R
35 35 A N >> + 0 0 21 2 0 N
36 36 A M H 3> S+ 0 0 31 2 0 M
37 37 A c H 3> S+ 0 0 7 2 0 C
38 38 A A H <> S+ 0 0 33 2 0 A
39 39 A L H X S+ 0 0 20 2 0 L
40 40 A a H < S+ 0 0 4 2 0 C
41 41 A b H < S+ 0 0 50 2 0 C
42 42 A E H < S+ 0 0 168 2 0 E
43 43 A H < - 0 0 52 2 0 H
44 44 A P S S- 0 0 105 2 0 P
45 45 A G S S- 0 0 75 2 0 G
46 46 A G - 0 0 16 2 0 G
47 47 A F - 0 0 32 2 0 F
48 48 A E E + C 0 25A 74 2 0 E
49 49 A Y E -aC 2 24A 0 2 0 Y
50 50 A S - 0 0 45 2 0 S
51 51 A N + 0 0 77 2 0 N
52 52 A G S S- 0 0 25 2 0 G
53 53 A P S S+ 0 0 123 2 0 P
54 54 A d 0 0 85 2 0 C
55 55 A E 0 0 76 2 0 E
## 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 0 0 0 0 0 0 0 0 100 0 0 0 0 0 0 0 0 0 0 0 2 0 0 0.000 0 1.00
2 2 A 0 0 0 0 0 0 0 0 0 0 0 0 0 100 0 0 0 0 0 0 2 0 0 0.000 0 1.00
3 3 A 0 0 0 100 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 2 0 0 0.000 0 1.00
4 4 A 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 100 2 0 0 0.000 0 1.00
5 5 A 0 0 0 0 0 0 0 0 0 0 0 0 100 0 0 0 0 0 0 0 2 0 0 0.000 0 1.00
6 6 A 0 0 0 0 0 0 0 0 0 0 0 100 0 0 0 0 0 0 0 0 2 0 0 0.000 0 1.00
7 7 A 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 100 0 0 2 0 0 0.000 0 1.00
8 8 A 0 0 0 0 100 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 2 0 0 0.000 0 1.00
9 9 A 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 100 0 2 0 0 0.000 0 1.00
10 10 A 0 0 0 0 0 0 0 0 0 100 0 0 0 0 0 0 0 0 0 0 2 0 0 0.000 0 1.00
11 11 A 0 100 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 2 0 0 0.000 0 1.00
12 12 A 0 0 0 0 0 0 0 0 0 0 0 0 100 0 0 0 0 0 0 0 2 0 0 0.000 0 1.00
13 13 A 0 0 0 0 0 0 0 0 0 0 0 0 0 0 100 0 0 0 0 0 2 0 0 0.000 0 1.00
14 14 A 0 0 0 0 0 0 0 0 0 0 0 0 100 0 0 0 0 0 0 0 2 0 0 0.000 0 1.00
15 15 A 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 100 0 2 0 0 0.000 0 1.00
16 16 A 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 100 0 0 0 0 2 0 0 0.000 0 1.00
17 17 A 0 0 0 100 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 2 0 0 0.000 0 1.00
18 18 A 0 100 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 2 0 0 0.000 0 1.00
19 19 A 0 0 0 0 0 0 0 100 0 0 0 0 0 0 0 0 0 0 0 0 2 0 0 0.000 0 1.00
20 20 A 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 100 2 0 0 0.000 0 1.00
21 21 A 0 100 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 2 0 0 0.000 0 1.00
22 22 A 0 0 100 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 2 0 0 0.000 0 1.00
23 23 A 0 0 0 0 0 0 0 0 0 0 0 0 100 0 0 0 0 0 0 0 2 0 0 0.000 0 1.00
24 24 A 0 0 0 0 0 0 0 0 100 0 0 0 0 0 0 0 0 0 0 0 2 0 0 0.000 0 1.00
25 25 A 100 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 2 0 0 0.000 0 1.00
26 26 A 0 0 100 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 2 0 0 0.000 0 1.00
27 27 A 0 0 0 0 0 0 0 100 0 0 0 0 0 0 0 0 0 0 0 0 2 0 0 0.000 0 1.00
28 28 A 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 100 2 0 0 0.000 0 1.00
29 29 A 0 0 0 0 0 0 0 0 100 0 0 0 0 0 0 0 0 0 0 0 2 0 0 0.000 0 1.00
30 30 A 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 100 0 0 0 0 2 0 0 0.000 0 1.00
31 31 A 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 100 0 0 2 0 0 0.000 0 1.00
32 32 A 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 100 0 0 2 0 0 0.000 0 1.00
33 33 A 0 0 0 0 0 0 0 0 0 0 0 0 0 100 0 0 0 0 0 0 2 0 0 0.000 0 1.00
34 34 A 0 0 0 0 0 0 0 0 0 0 0 0 0 0 100 0 0 0 0 0 2 0 0 0.000 0 1.00
35 35 A 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 100 0 2 0 0 0.000 0 1.00
36 36 A 0 0 0 100 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 2 0 0 0.000 0 1.00
37 37 A 0 0 0 0 0 0 0 0 0 0 0 0 100 0 0 0 0 0 0 0 2 0 0 0.000 0 1.00
38 38 A 0 0 0 0 0 0 0 0 100 0 0 0 0 0 0 0 0 0 0 0 2 0 0 0.000 0 1.00
39 39 A 0 100 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 2 0 0 0.000 0 1.00
40 40 A 0 0 0 0 0 0 0 0 0 0 0 0 100 0 0 0 0 0 0 0 2 0 0 0.000 0 1.00
41 41 A 0 0 0 0 0 0 0 0 0 0 0 0 100 0 0 0 0 0 0 0 2 0 0 0.000 0 1.00
42 42 A 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 100 0 0 2 0 0 0.000 0 1.00
43 43 A 0 0 0 0 0 0 0 0 0 0 0 0 0 100 0 0 0 0 0 0 2 0 0 0.000 0 1.00
44 44 A 0 0 0 0 0 0 0 0 0 100 0 0 0 0 0 0 0 0 0 0 2 0 0 0.000 0 1.00
45 45 A 0 0 0 0 0 0 0 100 0 0 0 0 0 0 0 0 0 0 0 0 2 0 0 0.000 0 1.00
46 46 A 0 0 0 0 0 0 0 100 0 0 0 0 0 0 0 0 0 0 0 0 2 0 0 0.000 0 1.00
47 47 A 0 0 0 0 100 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 2 0 0 0.000 0 1.00
48 48 A 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 100 0 0 2 0 0 0.000 0 1.00
49 49 A 0 0 0 0 0 0 100 0 0 0 0 0 0 0 0 0 0 0 0 0 2 0 0 0.000 0 1.00
50 50 A 0 0 0 0 0 0 0 0 0 0 100 0 0 0 0 0 0 0 0 0 2 0 0 0.000 0 1.00
51 51 A 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 100 0 2 0 0 0.000 0 1.00
52 52 A 0 0 0 0 0 0 0 100 0 0 0 0 0 0 0 0 0 0 0 0 2 0 0 0.000 0 1.00
53 53 A 0 0 0 0 0 0 0 0 0 100 0 0 0 0 0 0 0 0 0 0 2 0 0 0.000 0 1.00
54 54 A 0 0 0 0 0 0 0 0 0 0 0 0 100 0 0 0 0 0 0 0 2 0 0 0.000 0 1.00
55 55 A 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 100 0 0 2 0 0 0.000 0 1.00
## INSERTION LIST
AliNo IPOS JPOS Len Sequence
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