Complet list of 3ait hssp file
Complete list of 3ait.hssp file
HSSP HOMOLOGY DERIVED SECONDARY STRUCTURE OF PROTEINS , VERSION 2.0 2011
PDBID 3AIT
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 2013-09-26
HEADER ALPHA-AMYLASE INHIBITOR 1991-04-15 3AIT
COMPND TENDAMISTAT
SOURCE Streptomyces tendae
AUTHOR Billeter, M.; Schaumann, T.; Braun, W.; Wuthrich, K.
SEQLENGTH 74
NCHAIN 1 chain(s) in 3AIT data set
NALIGN 9
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 : IAA_STRTE 1OK0 0.99 1.00 1 74 31 104 74 0 0 104 P01092 Alpha-amylase inhibitor HOE-467A OS=Streptomyces tendae PE=1 SV=2
2 : IAA1_STROI 0.57 0.80 5 73 2 70 69 0 0 73 P09921 Alpha-amylase inhibitor Paim-1 OS=Streptomyces olivaceoviridis PE=1 SV=1
3 : IAA2_STROI 0.54 0.78 2 73 1 72 72 0 0 75 P20596 Alpha-amylase inhibitor Paim-2 OS=Streptomyces olivaceoviridis PE=1 SV=1
4 : Q9LBQ8_STRCK 0.53 0.78 1 73 31 103 73 0 0 106 Q9LBQ8 Proteinaceous alpha-amylase inhibitor Paim OS=Streptomyces corchorusii GN=paim PE=4 SV=1
5 : H1Q820_9ACTO 0.44 0.67 2 58 33 89 57 0 0 112 H1Q820 Alpha-amylase inhibitor Scaim OS=Streptomyces coelicoflavus ZG0656 GN=scaim PE=4 SV=1
6 : D6AL78_STRFL 0.39 0.65 2 58 8 64 57 0 0 83 D6AL78 Alpha-amylase inhibitor AI-409 OS=Streptomyces roseosporus NRRL 15998 GN=SSGG_06758 PE=4 SV=1
7 : Q53356_9ACTO 0.39 0.72 2 58 33 89 57 0 0 110 Q53356 Proteinaceous alpha-amylase inhibitor OS=Streptomyces nitrosporeus PE=4 SV=1
8 : Q7M0U7_STRCX 0.39 0.60 2 73 1 71 72 1 1 78 Q7M0U7 Alpha-amylase inhibitor AI-409 OS=Streptomyces chartreusis PE=1 SV=1
9 : IAA_STRRO 2KER 0.32 0.54 3 73 1 70 71 1 1 76 P07512 Alpha-amylase inhibitor Z-2685 OS=Streptomyces rochei PE=1 SV=1
## ALIGNMENTS 1 - 9
SeqNo PDBNo AA STRUCTURE BP1 BP2 ACC NOCC VAR ....:....1....:....2....:....3....:....4....:....5....:....6....:....7
1 1 A D 0 0 188 3 52 D Q
2 2 A T + 0 0 134 8 63 T SSASAA
3 3 A T S S+ 0 0 124 9 68 T DDPAATA
4 4 A V - 0 0 74 9 71 V AAASTVT
5 5 A S + 0 0 47 10 60 SSSSQDGGG
6 6 A E - 0 0 106 10 56 EEEESAAES
7 7 A P B -A 71 0A 99 10 0 PPPPPPPPP
8 8 A A - 0 0 21 10 19 AAAAAAAAV
9 9 A P > - 0 0 32 10 14 PPPPPPPPA
10 10 A S T 3 S+ 0 0 127 10 65 SAAAAEAQE
11 11 A a T 3 S+ 0 0 36 10 0 CCCCCCCCC
12 12 A V E < S-D 25 0B 13 10 0 VVVVVVVVV
13 13 A T E -D 24 0B 62 10 82 TVVVEVEEE
14 14 A L E -D 23 0B 58 10 81 LMMMYYSYY
15 15 A Y E +D 22 0B 134 10 21 YYYYYHFFF
16 16 A Q E +D 21 0B 37 10 29 QEEEQQQQQ
17 17 A S - 0 0 30 10 12 SSSSSGSSS
18 18 A W S S+ 0 0 151 10 0 WWWWWWWWW
19 19 A R S S- 0 0 149 10 0 RRRRRRRRR
20 20 A Y - 0 0 104 10 0 YYYYYYYYY
21 21 A S E -DE 16 57B 0 10 34 STTTTTTTT
22 22 A Q E -DE 15 55B 22 10 65 QTTTDDDDD
23 23 A A E -DE 14 54B 0 10 61 AAAAVVVVV
24 24 A D E -DE 13 53B 39 10 90 DAAAVVHHH
25 25 A N E +D 12 0B 0 10 0 NNNNNNNNN
26 26 A G + 0 0 56 10 43 GNNNNGGGG
27 27 A a S S- 0 0 28 10 0 CCCCCCCCC
28 28 A A S S+ 0 0 93 10 35 AAAAAASLA
29 29 A E S S- 0 0 135 10 61 QDDDEIEVD
30 30 A T + 0 0 95 10 41 TTTTTGTAA
31 31 A V E -B 48 0A 19 10 0 VVVVVVVVV
32 32 A T E -B 47 0A 50 10 52 TSSSAASSS
33 33 A V E -BC 46 72A 1 10 0 VVVVVVVVV
34 34 A K E -BC 45 71A 13 10 70 KSSSTTTTT
35 35 A V E - C 0 70A 0 10 0 VVVVVVVVV
36 36 A V E -BC 42 69A 7 10 78 VAAAEEEEE
37 37 A Y E > - C 0 67A 5 10 0 YYYYYYYYY
38 38 A E T 3 S+ 0 0 84 10 76 EQQQTTTTT
39 39 A D T 3 S- 0 0 71 10 45 DDDDNNNNH
40 40 A D S < S+ 0 0 148 10 23 DGGGGGGGG
41 41 A T - 0 0 38 10 77 TAAAQQQQQ
42 42 A E E -B 36 0A 81 10 112 ETTTDEWWW
43 43 A G E - 0 0A 13 10 37 GGGGAAAAA
44 44 A L E - 0 0A 112 10 51 LPPPPPPPP
45 45 A b E -B 34 0A 34 10 0 CCCCCCCCC
46 46 A Y E -B 33 0A 92 10 109 YAAARRVRR
47 47 A A E -B 32 0A 62 10 70 ATTTVITVV
48 48 A V E -B 31 0A 3 10 34 VLLLILIII
49 49 A A > - 0 0 35 10 71 APPPAGQEE
50 50 A P T 3 S+ 0 0 60 10 0 PPPPPPPPP
51 51 A G T 3 S+ 0 0 61 10 10 GGGGGGDGG
52 52 A Q < - 0 0 73 10 63 QAAAAEGGG
53 53 A I E +E 24 0B 84 9 99 IVVVWRWR.
54 54 A T E -E 23 0B 40 10 72 TTTTAAAAW
55 55 A T E +E 22 0B 69 10 16 TTTTTTTTA
56 56 A V E - 0 0B 1 10 69 VVVVFFFFT
57 57 A G E S-E 21 0B 22 10 60 GGGGAAAAF
58 58 A D - 0 0 52 9 55 DEEEGGG.A
59 59 A G > - 0 0 1 7 0 GGGG GG
60 60 A Y T 3 S+ 0 0 112 7 0 YYYY YY
61 61 A I T 3 S- 0 0 98 7 100 ILLL GG
62 62 A G B X S+F 65 0C 41 7 49 GGGG TT
63 63 A S T 3 S+ 0 0 75 7 69 SEEE ND
64 64 A H T 3 S- 0 0 65 7 76 HHHH GG
65 65 A G B < -F 62 0C 18 7 49 GGGG NN
66 66 A H - 0 0 81 7 54 HHHH YY
67 67 A A E - C 0 37A 10 7 81 APPP QV
68 68 A R E - 0 0A 124 7 93 RDDD TT
69 69 A Y E - C 0 36A 110 7 109 YHHH GG
70 70 A L E - C 0 35A 12 7 0 LLLL LL
71 71 A A E -AC 7 34A 0 7 78 AAAA RH
72 72 A R E - C 0 33A 93 7 113 RLLL AT
73 73 A b 0 0 52 7 0 CCCC CC
74 74 A L 0 0 168 2 0 L
## 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 0 0 0 0 0 0 0 0 33 0 0 67 3 0 0 0.637 21 0.47
2 2 A 0 0 0 0 0 0 0 0 38 0 38 25 0 0 0 0 0 0 0 0 8 0 0 1.082 36 0.36
3 3 A 0 0 0 0 0 0 0 0 33 11 0 33 0 0 0 0 0 0 0 22 9 0 0 1.311 43 0.32
4 4 A 33 0 0 0 0 0 0 0 33 0 11 22 0 0 0 0 0 0 0 0 9 0 0 1.311 43 0.28
5 5 A 0 0 0 0 0 0 0 30 0 0 50 0 0 0 0 0 10 0 0 10 10 0 0 1.168 38 0.40
6 6 A 0 0 0 0 0 0 0 0 20 0 20 0 0 0 0 0 0 60 0 0 10 0 0 0.950 31 0.44
7 7 A 0 0 0 0 0 0 0 0 0 100 0 0 0 0 0 0 0 0 0 0 10 0 0 0.000 0 1.00
8 8 A 10 0 0 0 0 0 0 0 90 0 0 0 0 0 0 0 0 0 0 0 10 0 0 0.325 10 0.81
9 9 A 0 0 0 0 0 0 0 0 10 90 0 0 0 0 0 0 0 0 0 0 10 0 0 0.325 10 0.85
10 10 A 0 0 0 0 0 0 0 0 50 0 20 0 0 0 0 0 10 20 0 0 10 0 0 1.221 40 0.34
11 11 A 0 0 0 0 0 0 0 0 0 0 0 0 100 0 0 0 0 0 0 0 10 0 0 0.000 0 1.00
12 12 A 100 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 10 0 0 0.000 0 1.00
13 13 A 40 0 0 0 0 0 0 0 0 0 0 20 0 0 0 0 0 40 0 0 10 0 0 1.055 35 0.17
14 14 A 0 20 0 30 0 0 40 0 0 0 10 0 0 0 0 0 0 0 0 0 10 0 0 1.280 42 0.19
15 15 A 0 0 0 0 30 0 60 0 0 0 0 0 0 10 0 0 0 0 0 0 10 0 0 0.898 29 0.78
16 16 A 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 70 30 0 0 10 0 0 0.611 20 0.71
17 17 A 0 0 0 0 0 0 0 10 0 0 90 0 0 0 0 0 0 0 0 0 10 0 0 0.325 10 0.87
18 18 A 0 0 0 0 0 100 0 0 0 0 0 0 0 0 0 0 0 0 0 0 10 0 0 0.000 0 1.00
19 19 A 0 0 0 0 0 0 0 0 0 0 0 0 0 0 100 0 0 0 0 0 10 0 0 0.000 0 1.00
20 20 A 0 0 0 0 0 0 100 0 0 0 0 0 0 0 0 0 0 0 0 0 10 0 0 0.000 0 1.00
21 21 A 0 0 0 0 0 0 0 0 0 0 20 80 0 0 0 0 0 0 0 0 10 0 0 0.500 16 0.65
22 22 A 0 0 0 0 0 0 0 0 0 0 0 30 0 0 0 0 20 0 0 50 10 0 0 1.030 34 0.34
23 23 A 50 0 0 0 0 0 0 0 50 0 0 0 0 0 0 0 0 0 0 0 10 0 0 0.693 23 0.38
24 24 A 20 0 0 0 0 0 0 0 30 0 0 0 0 30 0 0 0 0 0 20 10 0 0 1.366 45 0.10
25 25 A 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 100 0 10 0 0 0.000 0 1.00
26 26 A 0 0 0 0 0 0 0 60 0 0 0 0 0 0 0 0 0 0 40 0 10 0 0 0.673 22 0.57
27 27 A 0 0 0 0 0 0 0 0 0 0 0 0 100 0 0 0 0 0 0 0 10 0 0 0.000 0 1.00
28 28 A 0 10 0 0 0 0 0 0 80 0 10 0 0 0 0 0 0 0 0 0 10 0 0 0.639 21 0.65
29 29 A 10 0 10 0 0 0 0 0 0 0 0 0 0 0 0 0 10 30 0 40 10 0 0 1.418 47 0.39
30 30 A 0 0 0 0 0 0 0 10 20 0 0 70 0 0 0 0 0 0 0 0 10 0 0 0.802 26 0.59
31 31 A 100 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 10 0 0 0.000 0 1.00
32 32 A 0 0 0 0 0 0 0 0 20 0 60 20 0 0 0 0 0 0 0 0 10 0 0 0.950 31 0.48
33 33 A 100 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 10 0 0 0.000 0 1.00
34 34 A 0 0 0 0 0 0 0 0 0 0 30 50 0 0 0 20 0 0 0 0 10 0 0 1.030 34 0.30
35 35 A 100 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 10 0 0 0.000 0 1.00
36 36 A 20 0 0 0 0 0 0 0 30 0 0 0 0 0 0 0 0 50 0 0 10 0 0 1.030 34 0.22
37 37 A 0 0 0 0 0 0 100 0 0 0 0 0 0 0 0 0 0 0 0 0 10 0 0 0.000 0 1.00
38 38 A 0 0 0 0 0 0 0 0 0 0 0 50 0 0 0 0 30 20 0 0 10 0 0 1.030 34 0.23
39 39 A 0 0 0 0 0 0 0 0 0 0 0 0 0 10 0 0 0 0 40 50 10 0 0 0.943 31 0.54
40 40 A 0 0 0 0 0 0 0 80 0 0 0 0 0 0 0 0 0 0 0 20 10 0 0 0.500 16 0.77
41 41 A 0 0 0 0 0 0 0 0 30 0 0 20 0 0 0 0 50 0 0 0 10 0 0 1.030 34 0.23
42 42 A 0 0 0 0 0 30 0 0 0 0 0 30 0 0 0 0 0 30 0 10 10 0 0 1.314 43 -0.13
43 43 A 0 0 0 0 0 0 0 50 50 0 0 0 0 0 0 0 0 0 0 0 10 0 0 0.693 23 0.62
44 44 A 0 20 0 0 0 0 0 0 0 80 0 0 0 0 0 0 0 0 0 0 10 0 0 0.500 16 0.48
45 45 A 0 0 0 0 0 0 0 0 0 0 0 0 100 0 0 0 0 0 0 0 10 0 0 0.000 0 1.00
46 46 A 10 0 0 0 0 0 20 0 30 0 0 0 0 0 40 0 0 0 0 0 10 0 0 1.280 42 -0.10
47 47 A 30 0 10 0 0 0 0 0 20 0 0 40 0 0 0 0 0 0 0 0 10 0 0 1.280 42 0.29
48 48 A 20 40 40 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 10 0 0 1.055 35 0.66
49 49 A 0 0 0 0 0 0 0 10 30 30 0 0 0 0 0 0 10 20 0 0 10 0 0 1.505 50 0.28
50 50 A 0 0 0 0 0 0 0 0 0 100 0 0 0 0 0 0 0 0 0 0 10 0 0 0.000 0 1.00
51 51 A 0 0 0 0 0 0 0 90 0 0 0 0 0 0 0 0 0 0 0 10 10 0 0 0.325 10 0.89
52 52 A 0 0 0 0 0 0 0 30 40 0 0 0 0 0 0 0 20 10 0 0 10 1 0 1.280 42 0.37
53 53 A 33 0 22 0 0 22 0 0 0 0 0 0 0 0 22 0 0 0 0 0 9 0 0 1.369 45 0.01
54 54 A 0 0 0 0 0 10 0 0 40 0 0 50 0 0 0 0 0 0 0 0 10 0 0 0.943 31 0.27
55 55 A 0 0 0 0 0 0 0 0 10 0 0 90 0 0 0 0 0 0 0 0 10 0 0 0.325 10 0.84
56 56 A 50 0 0 0 40 0 0 0 0 0 0 10 0 0 0 0 0 0 0 0 10 0 0 0.943 31 0.30
57 57 A 0 0 0 0 10 0 0 50 40 0 0 0 0 0 0 0 0 0 0 0 10 1 0 0.943 31 0.40
58 58 A 0 0 0 0 0 0 0 33 11 0 0 0 0 0 0 0 0 33 0 22 9 0 0 1.311 43 0.44
59 59 A 0 0 0 0 0 0 0 100 0 0 0 0 0 0 0 0 0 0 0 0 7 0 0 0.000 0 1.00
60 60 A 0 0 0 0 0 0 100 0 0 0 0 0 0 0 0 0 0 0 0 0 7 0 0 0.000 0 1.00
61 61 A 0 43 29 0 0 0 0 29 0 0 0 0 0 0 0 0 0 0 0 0 7 0 0 1.079 36 -0.00
62 62 A 0 0 0 0 0 0 0 71 0 0 0 29 0 0 0 0 0 0 0 0 7 0 0 0.598 19 0.50
63 63 A 0 0 0 0 0 0 0 0 0 0 29 0 0 0 0 0 0 43 14 14 7 0 0 1.277 42 0.30
64 64 A 0 0 0 0 0 0 0 29 0 0 0 0 0 71 0 0 0 0 0 0 7 0 0 0.598 19 0.23
65 65 A 0 0 0 0 0 0 0 71 0 0 0 0 0 0 0 0 0 0 29 0 7 0 0 0.598 19 0.50
66 66 A 0 0 0 0 0 0 29 0 0 0 0 0 0 71 0 0 0 0 0 0 7 0 0 0.598 19 0.46
67 67 A 14 0 0 0 0 0 0 0 29 43 0 0 0 0 0 0 14 0 0 0 7 0 0 1.277 42 0.19
68 68 A 0 0 0 0 0 0 0 0 0 0 0 29 0 0 29 0 0 0 0 43 7 0 0 1.079 36 0.06
69 69 A 0 0 0 0 0 0 29 29 0 0 0 0 0 43 0 0 0 0 0 0 7 0 0 1.079 36 -0.10
70 70 A 0 100 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 7 0 0 0.000 0 1.00
71 71 A 0 0 0 0 0 0 0 0 71 0 0 0 0 14 14 0 0 0 0 0 7 0 0 0.796 26 0.22
72 72 A 0 43 0 0 0 0 0 0 14 0 0 14 0 0 29 0 0 0 0 0 7 0 0 1.277 42 -0.13
73 73 A 0 0 0 0 0 0 0 0 0 0 0 0 100 0 0 0 0 0 0 0 7 0 0 0.000 0 1.00
74 74 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
## INSERTION LIST
AliNo IPOS JPOS Len Sequence
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