Complet list of 1ijc hssp file
Complete list of 1ijc.hssp file
HSSP HOMOLOGY DERIVED SECONDARY STRUCTURE OF PROTEINS , VERSION 2.0 2011
PDBID 1IJC
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 2014-05-02
HEADER TOXIN 25-APR-01 1IJC
COMPND MOL_ID: 1; MOLECULE: BUCANDIN; CHAIN: A
SOURCE MOL_ID: 1; ORGANISM_SCIENTIFIC: BUNGARUS CANDIDUS; ORGANISM_TAXID: 924
AUTHOR A.M.TORRES,R.M.KINI,S.NIRTHANAN,P.W.KUCHEL
DBREF 1IJC A 1 63 UNP P81782 BUCA_BUNCA 1 63
SEQLENGTH 63
NCHAIN 1 chain(s) in 1IJC data set
NALIGN 15
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 : BUCA_BUNCA 1IJC 1.00 1.00 1 63 1 63 63 0 0 63 P81782 Bucandin OS=Bungarus candidus PE=1 SV=1
2 : V8N5J6_OPHHA 0.89 0.95 1 63 76 138 63 0 0 138 V8N5J6 Uncharacterized protein (Fragment) OS=Ophiophagus hannah GN=L345_17355 PE=4 SV=1
3 : U3FVH6_MICFL 0.73 0.83 1 63 22 84 63 0 0 84 U3FVH6 Three-finger toxin 8 OS=Micrurus fulvius PE=4 SV=1
4 : F5CPD4_MICAT 0.70 0.78 1 63 22 84 63 0 0 84 F5CPD4 Putative three finger toxin OS=Micrurus altirostris PE=4 SV=1
5 : TX66_DENJA 0.68 0.77 1 62 1 62 62 0 0 63 P25682 Toxin S6C6 OS=Dendroaspis jamesoni kaimosae PE=1 SV=1
6 : TXW5_NAJNA 0.37 0.54 1 62 1 61 63 2 3 62 P29179 Weak neurotoxin 5 OS=Naja naja PE=1 SV=1
7 : V3ZWN9_LOTGI 0.36 0.48 15 63 81 139 61 5 14 168 V3ZWN9 Uncharacterized protein OS=Lottia gigantea GN=LOTGIDRAFT_229235 PE=4 SV=1
8 : TXW11_NAJHH 0.35 0.52 1 62 1 64 65 3 4 65 P01401 Weak toxin CM-11 OS=Naja haje haje PE=1 SV=1
9 : CADO_BUNCA 1JGK 0.34 0.46 1 62 22 87 68 4 8 87 P81783 Candoxin OS=Bungarus candidus PE=1 SV=2
10 : D5J9P5_9SAUR 0.34 0.46 1 62 22 87 68 4 8 88 D5J9P5 Non-conventional three finger toxin isoform 1 OS=Bungarus flaviceps PE=3 SV=1
11 : D5J9P6_9SAUR 0.34 0.46 1 62 22 87 68 4 8 88 D5J9P6 Non-conventional three finger toxin isoform 2 OS=Bungarus flaviceps PE=3 SV=1
12 : NXLH_BUNMU 0.34 0.46 1 62 22 87 68 4 8 87 P15818 Long neurotoxin homolog OS=Bungarus multicinctus PE=1 SV=1
13 : D5J9P8_9SAUR 0.32 0.44 1 62 22 87 68 4 8 88 D5J9P8 Non-conventional three finger toxin isoform 4 OS=Bungarus flaviceps PE=3 SV=1
14 : NXL2_DENVI 0.32 0.41 2 62 2 64 68 5 12 73 P01395 Alpha-elapitoxin-Dv2a OS=Dendroaspis viridis PE=1 SV=1
15 : W4XC33_STRPU 0.32 0.41 1 62 19 91 73 4 11 116 W4XC33 Uncharacterized protein OS=Strongylocentrotus purpuratus PE=4 SV=1
## ALIGNMENTS 1 - 15
SeqNo PDBNo AA STRUCTURE BP1 BP2 ACC NOCC VAR ....:....1....:....2....:....3....:....4....:....5....:....6....:....7
1 1 A M 0 0 78 14 30 MMMMLL LMIIMI I
2 2 A E E -A 16 0A 60 15 70 EEEQET TKKKKKTE
3 3 A a E -A 15 0A 0 15 0 CCCCCC CCCCCCCC
4 4 A Y E +A 14 0A 44 15 92 YYYYYL LKKKKKYY
5 5 A R E -A 13 0A 111 15 87 RRRKRI IIIIIIKN
6 6 A b - 0 0 47 15 13 CCCCCC CCCCCCTC
7 7 A G - 0 0 38 15 71 GGGGGP PNQQHQPG
8 8 A V S S+ 0 0 154 14 82 VVVVVE EFFFFF.V
9 9 A S S S+ 0 0 119 14 71 STSSSK KDNNDN.S
10 10 A G - 0 0 35 14 79 GGGGGY YTTTTT.G
11 11 A b S S+ 0 0 37 15 8 CCCCCC CCCCCCSC
12 12 A H + 0 0 125 15 77 HHHHHN NRRRRRVT
13 13 A L E -A 5 0A 48 15 99 LLLLLK KAPPAPKD
14 14 A K E +A 4 0A 124 15 90 KKKKRV VgggggPp
15 15 A I E -A 3 0A 36 16 93 IIIITHIHkkkkkEs
16 16 A T E -A 2 0A 98 16 64 TTTTTTLTVVVVVTS
17 17 A c - 0 0 8 16 12 CCCCCCCCCCCCCCA
18 18 A S > - 0 0 88 16 55 SSASSLSRASSASPS
19 19 A A T 3 S+ 0 0 107 16 69 AAAEANPNSGGSGHG
20 20 A E T 3 S+ 0 0 136 16 56 EEDDKGEGGEEGEGV
21 21 A E < + 0 0 66 16 22 EEEEEENEEEEEEES
22 22 A T + 0 0 75 16 77 TTKKKNTNKIIKINN
23 23 A F E -B 40 0B 55 16 55 FFFFFIYQYYYYYIT
24 24 A a E -BC 39 56B 0 16 0 CCCCCCCCCCCCCCC
25 25 A Y E -BC 38 55B 54 16 57 YYYYAFRFFFFFFYP
26 26 A K E -BC 37 54B 15 16 42 KKKKKKvKkkkkktg
27 27 A W E -BC 36 53B 4 16 54 WWWRQRtRwwwwwwa
28 28 A L E -BC 35 52B 39 16 97 LLYYHFQFRSSRSCY
29 29 A N E >> -BC 34 51B 24 16 69 NNNNNNgnettetSc
30 30 A K T 45S+ 0 0 168 15 90 KKKKRRfkggggg.t
31 31 A I T 45S+ 0 0 113 16 67 IIIIIIVLTTTTTQV
32 32 A S T 45S- 0 0 79 16 78 SSSSSLSLRRRRRRS
33 33 A N T <5S+ 0 0 144 16 91 NNSFTGLGIIIIIGG
34 34 A E E < -B 29 0B 76 16 73 EDVILKEKEEEEEKS
35 35 A R E -B 28 0B 88 16 18 RRRRWrRrRRRRRrt
36 36 A W E +B 27 0B 122 10 105 WWTTWd.t.....et
37 37 A L E +B 26 0B 21 10 86 LYYYHL.R.....LR
38 38 A G E S-B 25 0B 12 16 21 GGGGGGGGGGGGGGL
39 39 A c E +B 24 0B 14 16 0 CCCCCCCCCCCCCCC
40 40 A A E -B 23 0B 29 16 34 AAAAVAAAATTATAA
41 41 A K S S+ 0 0 93 16 69 KKEKEASAAAAAAAP
42 42 A T S S- 0 0 110 16 22 TTTTTTSTTTTTTTA
43 43 A d + 0 0 63 16 0 CCCCCCCCCCCCCCC
44 44 A T - 0 0 84 15 60 TTTTTPRPPPPPP.T
45 45 A E - 0 0 101 16 62 EEEEETKEKKKKKPE
46 46 A I E +D 53 0B 51 16 73 IQEEDVgAGGGGGKG
47 47 A D E +D 52 0B 100 16 82 DNNNEKgKSSSSSVC
48 48 A T S S- 0 0 77 16 78 TTSNTTTPVVVVVKA
49 49 A W S S+ 0 0 212 15 64 WWWWW.WRYYYYYAG
50 50 A N S S+ 0 0 23 15 63 NRTTK.gEGGGGGGG
51 51 A V E -C 29 0B 19 16 87 VIAAFGeILNNLNVT
52 52 A Y E +CD 28 47B 79 16 65 YYWSYICVYYYYYGC
53 53 A N E -CD 27 46B 0 16 76 NNVVRVYEVVVVVII
54 54 A K E -C 26 0B 74 15 98 KKRYKQS.LLLLLKY
55 55 A d E -C 25 0B 24 16 0 CCCCCCCCCCCCCCC
56 56 A e E -C 24 0B 26 16 0 CCCCCCCCCCCCCCC
57 57 A T S S+ 0 0 107 16 45 TTTTTSRTTTTTTSN
58 58 A T S S- 0 0 79 16 22 TTTTTTTTTTTTITS
59 59 A N S S- 0 0 93 16 33 NNNNNDDDDDDDDDN
60 60 A L S S+ 0 0 60 16 93 LLLLLKLRDEEDENL
61 61 A e + 0 0 42 16 0 CCCCCCCCCCCCCCC
62 62 A N 0 0 1 16 0 NNNNNNNNNNNNNNN
63 63 A T 0 0 113 6 0 TTTT T
## 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 21 29 50 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 14 0 0 1.035 34 0.69
2 2 A 0 0 0 0 0 0 0 0 0 0 0 20 0 0 0 33 7 40 0 0 15 0 0 1.235 41 0.29
3 3 A 0 0 0 0 0 0 0 0 0 0 0 0 100 0 0 0 0 0 0 0 15 0 0 0.000 0 1.00
4 4 A 0 13 0 0 0 0 53 0 0 0 0 0 0 0 0 33 0 0 0 0 15 0 0 0.970 32 0.07
5 5 A 0 0 47 0 0 0 0 0 0 0 0 0 0 0 33 13 0 0 7 0 15 0 0 1.171 39 0.12
6 6 A 0 0 0 0 0 0 0 0 0 0 0 7 93 0 0 0 0 0 0 0 15 0 0 0.245 8 0.86
7 7 A 0 0 0 0 0 0 0 47 0 20 0 0 0 7 0 0 20 0 7 0 15 1 0 1.361 45 0.28
8 8 A 50 0 0 0 36 0 0 0 0 0 0 0 0 0 0 0 0 14 0 0 14 0 0 0.992 33 0.17
9 9 A 0 0 0 0 0 0 0 0 0 0 43 7 0 0 0 14 0 0 21 14 14 0 0 1.438 47 0.29
10 10 A 0 0 0 0 0 0 14 50 0 0 0 36 0 0 0 0 0 0 0 0 14 0 0 0.992 33 0.21
11 11 A 0 0 0 0 0 0 0 0 0 0 7 0 93 0 0 0 0 0 0 0 15 0 0 0.245 8 0.92
12 12 A 7 0 0 0 0 0 0 0 0 0 0 7 0 40 33 0 0 0 13 0 15 0 0 1.362 45 0.23
13 13 A 0 40 0 0 0 0 0 0 13 20 0 0 0 0 0 20 0 0 0 7 15 0 0 1.459 48 0.01
14 14 A 13 0 0 0 0 0 0 33 0 13 0 0 0 0 7 33 0 0 0 0 15 0 6 1.450 48 0.10
15 15 A 0 0 38 0 0 0 0 0 0 0 6 6 0 13 0 31 0 6 0 0 16 0 0 1.511 50 0.07
16 16 A 31 6 0 0 0 0 0 0 0 0 6 56 0 0 0 0 0 0 0 0 16 0 0 1.034 34 0.36
17 17 A 0 0 0 0 0 0 0 0 6 0 0 0 94 0 0 0 0 0 0 0 16 0 0 0.234 7 0.87
18 18 A 0 6 0 0 0 0 0 0 19 6 63 0 0 0 6 0 0 0 0 0 16 0 0 1.127 37 0.44
19 19 A 0 0 0 0 0 0 0 25 31 6 13 0 0 6 0 0 0 6 13 0 16 0 0 1.750 58 0.30
20 20 A 6 0 0 0 0 0 0 31 0 0 0 0 0 0 0 6 0 44 0 13 16 0 0 1.332 44 0.44
21 21 A 0 0 0 0 0 0 0 0 0 0 6 0 0 0 0 0 0 88 6 0 16 0 0 0.463 15 0.77
22 22 A 0 0 19 0 0 0 0 0 0 0 0 25 0 0 0 31 0 0 25 0 16 0 0 1.371 45 0.22
23 23 A 0 0 13 0 38 0 38 0 0 0 0 6 0 0 0 0 6 0 0 0 16 0 0 1.342 44 0.44
24 24 A 0 0 0 0 0 0 0 0 0 0 0 0 100 0 0 0 0 0 0 0 16 0 0 0.000 0 1.00
25 25 A 0 0 0 0 44 0 38 0 6 6 0 0 0 0 6 0 0 0 0 0 16 0 0 1.249 41 0.42
26 26 A 6 0 0 0 0 0 0 6 0 0 0 6 0 0 0 81 0 0 0 0 16 0 8 0.689 22 0.58
27 27 A 0 0 0 0 0 63 0 0 6 0 0 6 0 0 19 0 6 0 0 0 16 0 0 1.127 37 0.46
28 28 A 0 19 0 0 13 0 19 0 0 0 19 0 6 6 13 0 6 0 0 0 16 0 0 1.981 66 0.03
29 29 A 0 0 0 0 0 0 0 6 0 0 6 19 6 0 0 0 0 13 50 0 16 1 8 1.440 48 0.31
30 30 A 0 0 0 0 7 0 0 33 0 0 0 7 0 0 13 40 0 0 0 0 15 0 0 1.362 45 0.10
31 31 A 13 6 44 0 0 0 0 0 0 0 0 31 0 0 0 0 6 0 0 0 16 0 0 1.332 44 0.32
32 32 A 0 13 0 0 0 0 0 0 0 0 50 0 0 0 38 0 0 0 0 0 16 0 0 0.974 32 0.21
33 33 A 0 6 31 0 6 0 0 25 0 0 6 6 0 0 0 0 0 0 19 0 16 0 0 1.717 57 0.08
34 34 A 6 6 6 0 0 0 0 0 0 0 6 0 0 0 0 19 0 50 0 6 16 0 0 1.527 50 0.26
35 35 A 0 0 0 0 0 6 0 0 0 0 0 6 0 0 88 0 0 0 0 0 16 6 4 0.463 15 0.82
36 36 A 0 0 0 0 0 40 0 0 0 0 0 40 0 0 0 0 0 10 0 10 10 0 0 1.194 39 -0.05
37 37 A 0 40 0 0 0 0 30 0 0 0 0 0 0 10 20 0 0 0 0 0 10 0 0 1.280 42 0.14
38 38 A 0 6 0 0 0 0 0 94 0 0 0 0 0 0 0 0 0 0 0 0 16 0 0 0.234 7 0.78
39 39 A 0 0 0 0 0 0 0 0 0 0 0 0 100 0 0 0 0 0 0 0 16 0 0 0.000 0 1.00
40 40 A 6 0 0 0 0 0 0 0 75 0 0 19 0 0 0 0 0 0 0 0 16 0 0 0.703 23 0.66
41 41 A 0 0 0 0 0 0 0 0 50 6 6 0 0 0 0 25 0 13 0 0 16 0 0 1.300 43 0.31
42 42 A 0 0 0 0 0 0 0 0 6 0 6 88 0 0 0 0 0 0 0 0 16 0 0 0.463 15 0.77
43 43 A 0 0 0 0 0 0 0 0 0 0 0 0 100 0 0 0 0 0 0 0 16 1 0 0.000 0 1.00
44 44 A 0 0 0 0 0 0 0 0 0 47 0 47 0 0 7 0 0 0 0 0 15 0 0 0.892 29 0.39
45 45 A 0 0 0 0 0 0 0 0 0 6 0 6 0 0 0 38 0 50 0 0 16 0 0 1.061 35 0.37
46 46 A 6 0 13 0 0 0 0 44 6 0 0 0 0 0 0 6 6 13 0 6 16 0 1 1.748 58 0.27
47 47 A 6 0 0 0 0 0 0 6 0 0 31 0 6 0 0 13 0 6 19 13 16 0 0 1.890 63 0.17
48 48 A 31 0 0 0 0 0 0 0 6 6 6 38 0 0 0 6 0 0 6 0 16 1 0 1.598 53 0.21
49 49 A 0 0 0 0 0 47 33 7 7 0 0 0 0 0 7 0 0 0 0 0 15 0 0 1.263 42 0.36
50 50 A 0 0 0 0 0 0 0 53 0 0 0 13 0 0 7 7 0 7 13 0 15 0 1 1.414 47 0.37
51 51 A 19 13 13 0 6 0 0 6 13 0 0 6 0 0 0 0 0 6 19 0 16 0 0 2.101 70 0.13
52 52 A 6 0 6 0 0 6 56 6 0 0 6 0 13 0 0 0 0 0 0 0 16 0 0 1.450 48 0.35
53 53 A 50 0 13 0 0 0 6 0 0 0 0 0 0 0 6 0 0 6 19 0 16 1 0 1.440 48 0.24
54 54 A 0 33 0 0 0 0 13 0 0 0 7 0 0 0 7 33 7 0 0 0 15 0 0 1.543 51 0.02
55 55 A 0 0 0 0 0 0 0 0 0 0 0 0 100 0 0 0 0 0 0 0 16 0 0 0.000 0 1.00
56 56 A 0 0 0 0 0 0 0 0 0 0 0 0 100 0 0 0 0 0 0 0 16 0 0 0.000 0 1.00
57 57 A 0 0 0 0 0 0 0 0 0 0 13 75 0 0 6 0 0 0 6 0 16 0 0 0.822 27 0.54
58 58 A 0 0 6 0 0 0 0 0 0 0 6 88 0 0 0 0 0 0 0 0 16 0 0 0.463 15 0.77
59 59 A 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 44 56 16 0 0 0.685 22 0.67
60 60 A 0 50 0 0 0 0 0 0 0 0 0 0 0 0 6 6 0 19 6 13 16 0 0 1.440 48 0.07
61 61 A 0 0 0 0 0 0 0 0 0 0 0 0 100 0 0 0 0 0 0 0 16 0 0 0.000 0 1.00
62 62 A 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 100 0 16 0 0 0.000 0 1.00
63 63 A 0 0 0 0 0 0 0 0 0 0 0 100 0 0 0 0 0 0 0 0 6 0 0 0.000 0 1.00
## INSERTION LIST
AliNo IPOS JPOS Len Sequence
6 36 36 1 rYd
7 13 93 4 vFLQQt
7 16 100 1 gVf
7 31 116 1 gCg
7 35 121 6 gDDIDHDe
8 30 30 2 nERk
8 36 38 1 rYt
9 15 36 2 gELk
9 27 50 2 kESw
9 30 55 2 eARg
10 15 36 2 gELk
10 27 50 2 kESw
10 30 55 2 tARg
11 15 36 2 gELk
11 27 50 2 kESw
11 30 55 2 tARg
12 15 36 2 gELk
12 27 50 2 kESw
12 30 55 2 eARg
13 15 36 2 gELk
13 27 50 2 kESw
13 30 55 2 tARg
14 23 24 6 tETWCDAw
14 31 38 1 rVe
15 15 33 2 pFDs
15 27 47 6 gTSLITYa
15 30 56 2 cVKt
15 36 64 1 tVt
//