Complet list of 1m2s hssp file
Complete list of 1m2s.hssp file
HSSP HOMOLOGY DERIVED SECONDARY STRUCTURE OF PROTEINS , VERSION 2.0 2011
PDBID 1M2S
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 2014-05-03
HEADER TOXIN 25-JUN-02 1M2S
COMPND MOL_ID: 1; MOLECULE: TOXIN BMTX3; CHAIN: A; SYNONYM: NEUROTOXIN TX3
SOURCE MOL_ID: 1; ORGANISM_SCIENTIFIC: MESOBUTHUS MARTENSII; ORGANISM_COMMON:
AUTHOR Y.WANG,M.LI,N.ZHANG,G.WU,G.HU,H.WU
DBREF 1M2S A 1 37 UNP Q9NBG9 SCKM_MESMA 23 59
SEQLENGTH 37
NCHAIN 1 chain(s) in 1M2S data set
NALIGN 39
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 : KA162_MESMA 1.00 1.00 1 37 23 59 37 0 0 59 Q9NBG9 Potassium channel toxin alpha-KTx 16.2 OS=Mesobuthus martensii PE=1 SV=1
2 : V9LLQ7_MESMA 0.97 1.00 1 37 23 59 37 0 0 59 V9LLQ7 Potassium channel toxin BmKcug3 OS=Mesobuthus martensii PE=3 SV=1
3 : KA163_MESMA 0.95 0.95 1 37 23 59 37 0 0 59 Q8MQL0 Potassium channel toxin alpha-KTx 16.3 OS=Mesobuthus martensii PE=2 SV=1
4 : KA164_MESEU 0.92 0.92 1 37 23 59 37 0 0 59 D3JXM1 Potassium channel toxin alpha-KTx 16.4 OS=Mesobuthus eupeus PE=1 SV=2
5 : KA167_MESGB 0.92 0.92 1 37 23 59 37 0 0 59 B3EWY1 Potassium channel toxin alpha-KTx 16.7 OS=Mesobuthus gibbosus PE=1 SV=2
6 : KA165_LEIQH 0.78 0.89 2 37 1 36 36 0 0 36 P45660 Potassium channel toxin alpha-KTx 16.5 OS=Leiurus quinquestriatus hebraeus PE=1 SV=1
7 : KA161_MESTA 0.75 0.86 2 37 1 36 36 0 0 36 P0C173 Potassium channel toxin alpha-KTx 16.1 OS=Mesobuthus tamulus PE=1 SV=1
8 : KA166_BUTOS 0.75 0.94 2 37 23 58 36 0 0 58 B8XH42 Potassium channel toxin alpha-KTx 16.6 OS=Buthus occitanus israelis PE=2 SV=1
9 : KAX24_CENNO 0.60 0.83 3 37 2 36 35 0 0 38 Q9TXD1 Potassium channel toxin alpha-KTx 2.4 OS=Centruroides noxius PE=1 SV=1
10 : KAX1E_MESMA 0.57 0.80 3 37 24 58 35 0 0 59 H2ETQ6 Potassium channel toxin alpha-KTx 1.14 OS=Mesobuthus martensii PE=2 SV=1
11 : KAX19_CENLM 0.56 0.76 3 36 2 35 34 0 0 36 P59848 Potassium channel toxin alpha-KTx 1.9 (Fragment) OS=Centruroides limbatus PE=1 SV=1
12 : KA121_TITSE 0.55 0.70 5 37 7 39 33 0 0 40 P59936 Potassium channel toxin alpha-KTx 12.1 OS=Tityus serrulatus PE=1 SV=2
13 : KA122_TITTR 0.55 0.70 5 37 7 39 33 0 0 40 P0C168 Potassium channel toxin alpha-KTx 12.2 OS=Tityus trivittatus PE=1 SV=1
14 : KA123_TITCO 0.55 0.70 5 37 7 39 33 0 0 40 P0C185 Potassium channel toxin alpha-KTx 12.3 OS=Tityus costatus PE=1 SV=1
15 : KA124_TITST 0.55 0.70 5 37 7 39 33 0 0 40 P0C8L1 Potassium channel toxin alpha-KTx 12.4 OS=Tityus stigmurus PE=1 SV=1
16 : KAX16_MESMA 0.54 0.77 3 37 23 57 35 0 0 58 Q9NII5 Potassium channel toxin alpha-KTx 1.6 OS=Mesobuthus martensii PE=1 SV=1
17 : Q1EFP8_MESMA 0.54 0.77 3 37 23 57 35 0 0 58 Q1EFP8 Potassium channel toxin BmKTX2' OS=Mesobuthus martensii PE=3 SV=1
18 : V9LLY8_MESMA 0.54 0.71 3 37 22 56 35 0 0 57 V9LLY8 Toxin BmTX4 OS=Mesobuthus martensii PE=3 SV=1
19 : KA125_LYCMC 0.52 0.73 5 37 27 59 33 0 0 60 P0CH12 Potassium channel toxin alpha-KTx 12.5 OS=Lychas mucronatus PE=2 SV=1
20 : A0RZD1_MESMA 0.51 0.71 3 37 22 56 35 0 0 57 A0RZD1 Potassium-channel toxin protein OS=Mesobuthus martensii GN=TX1 PE=3 SV=1
21 : KAX14_CENLM 0.51 0.74 3 37 2 36 35 0 0 37 P0C167 Potassium channel toxin alpha-KTx 1.4 OS=Centruroides limbatus PE=1 SV=1
22 : KAX15_MESMA 0.51 0.71 3 37 22 56 35 0 0 57 Q9NII6 Potassium channel toxin alpha-KTx 1.5 OS=Mesobuthus martensii PE=1 SV=1
23 : KAX1F_MESMA 0.51 0.71 3 37 22 56 35 0 0 57 H2ER23 Potassium channel toxin alpha-KTx 1.15 OS=Mesobuthus martensii PE=2 SV=1
24 : KAX1X_MESMA 0.51 0.74 3 37 23 57 35 0 0 58 H2ER22 Potassium channel toxin alpha-KTx Kcug1a OS=Mesobuthus martensii PE=2 SV=1
25 : KAX44_TITOB 0.51 0.69 3 37 2 36 35 0 0 37 P60210 Potassium channel toxin alpha-KTx 4.4 OS=Tityus obscurus PE=1 SV=1
26 : KAX_ISOMC 0.50 0.67 8 37 30 59 30 0 0 60 P0CJ24 Potassium channel toxin ImKTx88 OS=Isometrus maculatus PE=2 SV=1
27 : KAX13_MESTA 0.49 0.69 3 37 2 36 35 0 0 37 P24663 Potassium channel toxin alpha-KTx 1.3 OS=Mesobuthus tamulus PE=1 SV=2
28 : KAX1B_CENNO 0.49 0.71 3 37 2 36 35 0 0 37 P0C182 Potassium channel toxin alpha-KTx 1.11 OS=Centruroides noxius PE=1 SV=1
29 : KAX43_TITDI 0.49 0.69 3 37 2 36 35 0 0 37 P59925 Potassium channel toxin alpha-KTx 4.3 OS=Tityus discrepans PE=1 SV=1
30 : KAX45_TITCO 0.49 0.69 3 37 24 58 35 0 0 59 Q5G8B6 Potassium channel toxin alpha-KTx 4.5 OS=Tityus costatus PE=1 SV=1
31 : KA159_LYCMC 0.48 0.65 7 37 29 59 31 0 0 60 D9U2A8 Potassium channel toxin alpha-KTx 15.9 OS=Lychas mucronatus PE=2 SV=1
32 : KA127_LYCMC 0.47 0.72 6 37 28 59 32 0 0 60 P0CI48 Neurotoxin alpha-KTx 12.7 OS=Lychas mucronatus PE=2 SV=1
33 : KAX1A_PARTR 0.47 0.71 4 37 2 35 34 0 0 37 P83112 Potassium channel toxin alpha-KTx 1.10 OS=Parabuthus transvaalicus PE=1 SV=1
34 : KAX6F_HEMLE 0.47 0.72 6 37 1 32 32 0 0 35 P85528 Potassium channel toxin alpha-KTx 6.15 OS=Hemiscorpius lepturus PE=1 SV=1
35 : KAX1C_LEIQH 0.46 0.74 3 37 24 58 35 0 0 59 P59943 Potassium channel toxin alpha-KTx 1.12 OS=Leiurus quinquestriatus hebraeus PE=3 SV=1
36 : KAX1D_LEIQH 0.46 0.74 3 37 2 36 35 0 0 37 P59944 Potassium channel toxin alpha-KTx 1.13 OS=Leiurus quinquestriatus hebraeus PE=1 SV=1
37 : KAX41_TITSE 0.46 0.66 3 37 2 36 35 0 0 37 P46114 Potassium channel toxin alpha-KTx 4.1 OS=Tityus serrulatus PE=1 SV=1
38 : KAX46_TITST 0.46 0.69 3 37 2 36 35 0 0 37 P0CB56 Potassium channel toxin alpha-KTx 4.6 OS=Tityus stigmurus PE=1 SV=1
39 : KAX2D_CENSU 0.44 0.69 3 37 2 37 36 1 1 38 P85529 Potassium channel toxin alpha-KTx 2.13 OS=Centruroides suffusus suffusus PE=1 SV=1
## ALIGNMENTS 1 - 39
SeqNo PDBNo AA STRUCTURE BP1 BP2 ACC NOCC VAR ....:....1....:....2....:....3....:....4....:....5....:....6....:....7
1 1 A F 0 0 201 6 0 FFFFF
2 2 A G + 0 0 21 9 18 GGGGGGDG
3 3 A L + 0 0 130 30 14 LLLLLLLLIFF FFF FFFFFF FFFF FFFFF
4 4 A I B -A 34 0A 56 31 47 IIIIIIIIITI TTT TITTTI TIII V TTIII
5 5 A D + 0 0 110 36 26 DEDDDDDDNDDDDDDNNDDDDDDNN DDNN D DNNNN
6 6 A V S S- 0 0 88 38 31 VVVVVVVVEVVLLLLVVVIVVVVVV VVVV IMIVVAAV
7 7 A K - 0 0 159 39 52 KKKKKRKRKRKAAEASSKKKSKKSK DDKKKKRKSSKKK
8 8 A a - 0 0 11 40 0 CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC
9 9 A F S S- 0 0 202 40 87 FFFSSYIYFSTGGGGSSTSTSTTSRNSTTRSRKTTTRRS
10 10 A A >> - 0 0 37 40 62 AAAAADSAAATAAAAAAASGVGAAGGVVGGNYSLTTGGS
11 11 A S H 3> S+ 0 0 23 40 16 SSSSSSSSTSSSSSSSSSSSSSSSSSSSSSTPSSSSSSP
12 12 A S H 3> S+ 0 0 72 40 63 SSSRRRQRSSKRRRRSSKSKKKKSKSKKKPSAKKKKPPQ
13 13 A E H <> S+ 0 0 64 40 33 EEEEEQEEQKEEEEEQQQSQEQQQEEEEQEQDEDEEEEQ
14 14 A b H X S+ 0 0 0 40 0 CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC
15 15 A W H X S+ 0 0 132 40 35 WWWWWWWWWWWYYYYWWWYWWWWWLYWWLLYHLYWWLLL
16 16 A T H X S+ 0 0 69 40 79 TTIVVIIETPPDDDDPPPEPAPPPPSSAPPKIVSSSPPK
17 17 A A H X S+ 0 0 19 40 74 AAAAAAAPPVPPPPPVVVPVPVVVAHVPAKTMKPVVKKP
18 18 A c H X>S+ 0 0 3 40 0 CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC
19 19 A K H <5S+ 0 0 119 40 54 KKKKKKKRKKKFFFFKKKRKKKNEKEKKKKERKKQEKKK
20 20 A K H <5S+ 0 0 179 40 60 KKKKKKKRKKAKKKKKKQGQAQQKAGDAAEKKQKRKEQA
21 21 A V H <5S- 0 0 124 40 64 VVVVVVVVALAAAAALLMVMAMMLAILAAAVVAELLAAA
22 22 A T T <5S- 0 0 103 40 73 TTTTTTTTIFTFFFFFFFTFVFFFVTFFVIVTTTHYIIF
23 23 A G S -B 33 0A 94 40 50 QQQQQQQQMKMMMMMMMMMMMMMMMIMMMMMMMIMMMMI
31 31 A N T 3 S- 0 0 128 40 10 NNNNNNNNNNNNNNNNNNNNGNNNNNGGNNNNNNNNNNN
32 32 A N T 3 S+ 0 0 72 40 68 NNNNNKRNGSKNNNNSSGGGKGGSGKKKGGGGRRKKGGG
33 33 A Q E < - B 0 30A 54 40 34 QQQQQQQQKKKKKKKKKKRKKKKKKKKKKKKKKNKKKKK
34 34 A b E -AB 4 29A 2 40 0 CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC
35 35 A R E - B 0 28A 109 40 42 RRRRRRRRKRKRRRRRRRTRRRRRKYRKKKITKKRRKKK
36 36 A c E B 0 27A 18 40 0 CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC
37 37 A Y 0 0 181 39 0 YYYYYYYYYY YYYYYYYYYYYYYYYYYYYYYYYYYYYY
## 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 0 100 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 6 0 0 0.000 0 1.00
2 2 A 0 0 0 0 0 0 0 89 0 0 0 0 0 0 0 0 0 0 0 11 9 0 0 0.349 11 0.81
3 3 A 0 30 3 0 67 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 30 0 0 0.745 24 0.86
4 4 A 3 0 61 0 0 0 0 0 0 0 0 35 0 0 0 0 0 0 0 0 31 0 0 0.778 25 0.52
5 5 A 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 3 31 67 36 0 0 0.732 24 0.73
6 6 A 71 11 8 3 0 0 0 0 5 0 0 0 0 0 0 0 0 3 0 0 38 0 0 1.027 34 0.69
7 7 A 0 0 0 0 0 0 0 0 8 0 15 0 0 0 10 59 0 3 0 5 39 0 0 1.277 42 0.47
8 8 A 0 0 0 0 0 0 0 0 0 0 0 0 100 0 0 0 0 0 0 0 40 0 0 0.000 0 1.00
9 9 A 0 0 3 0 13 0 5 10 0 0 28 25 0 0 13 3 0 0 3 0 40 0 0 1.878 62 0.12
10 10 A 8 3 0 0 0 0 3 20 45 0 10 8 0 0 0 0 0 0 3 3 40 0 0 1.669 55 0.38
11 11 A 0 0 0 0 0 0 0 0 0 5 90 5 0 0 0 0 0 0 0 0 40 0 0 0.394 13 0.84
12 12 A 0 0 0 0 0 0 0 0 3 8 30 0 0 0 20 35 5 0 0 0 40 0 0 1.487 49 0.37
13 13 A 0 0 0 0 0 0 0 0 0 0 3 0 0 0 0 3 30 60 0 5 40 0 0 1.002 33 0.66
14 14 A 0 0 0 0 0 0 0 0 0 0 0 0 100 0 0 0 0 0 0 0 40 0 0 0.000 0 1.00
15 15 A 0 17 0 0 0 60 20 0 0 0 0 0 0 3 0 0 0 0 0 0 40 0 0 1.026 34 0.65
16 16 A 8 0 10 0 0 0 0 0 5 35 13 10 0 0 0 5 0 5 0 10 40 0 0 1.962 65 0.20
17 17 A 28 0 0 3 0 0 0 0 25 30 0 3 0 3 0 10 0 0 0 0 40 0 0 1.570 52 0.26
18 18 A 0 0 0 0 0 0 0 0 0 0 0 0 100 0 0 0 0 0 0 0 40 0 0 0.000 0 1.00
19 19 A 0 0 0 0 10 0 0 0 0 0 0 0 0 0 8 68 3 10 3 0 40 0 0 1.105 36 0.46
20 20 A 0 0 0 0 0 0 0 5 15 0 0 0 0 0 5 52 15 5 0 3 40 0 0 1.449 48 0.40
21 21 A 30 17 3 10 0 0 0 0 38 0 0 0 0 0 0 0 0 3 0 0 40 0 0 1.449 48 0.35
22 22 A 10 0 10 0 38 0 3 0 0 0 0 38 0 3 0 0 0 0 0 0 40 0 0 1.381 46 0.26
23 23 A 0 0 0 0 0 0 0 95 0 0 0 0 0 0 0 0 0 0 5 0 40 0 1 0.199 6 0.92
24 24 A 8 0 0 0 0 0 0 0 0 0 25 17 3 0 20 28 0 0 0 0 40 0 0 1.615 53 0.24
25 25 A 3 3 0 0 3 0 10 13 35 15 8 3 0 0 3 0 0 0 0 8 40 0 0 1.992 66 0.21
26 26 A 0 0 3 0 0 0 0 3 17 0 3 0 0 13 20 3 22 5 13 0 40 0 0 2.001 66 0.22
27 27 A 0 0 0 0 0 0 0 93 5 0 3 0 0 0 0 0 0 0 0 0 40 0 0 0.314 10 0.91
28 28 A 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 100 0 0 0 0 40 0 0 0.000 0 1.00
29 29 A 0 0 0 0 0 0 0 0 0 0 0 0 100 0 0 0 0 0 0 0 40 0 0 0.000 0 1.00
30 30 A 0 0 8 68 0 0 0 0 0 0 0 0 0 0 0 3 22 0 0 0 40 0 0 0.887 29 0.49
31 31 A 0 0 0 0 0 0 0 8 0 0 0 0 0 0 0 0 0 0 93 0 40 0 0 0.266 8 0.89
32 32 A 0 0 0 0 0 0 0 35 0 0 10 0 0 0 8 20 0 0 28 0 40 0 0 1.469 49 0.32
33 33 A 0 0 0 0 0 0 0 0 0 0 0 0 0 0 3 73 22 0 3 0 40 0 0 0.753 25 0.65
34 34 A 0 0 0 0 0 0 0 0 0 0 0 0 100 0 0 0 0 0 0 0 40 0 0 0.000 0 1.00
35 35 A 0 0 3 0 0 0 3 0 0 0 0 5 0 0 63 28 0 0 0 0 40 0 0 0.983 32 0.57
36 36 A 0 0 0 0 0 0 0 0 0 0 0 0 100 0 0 0 0 0 0 0 40 0 0 0.000 0 1.00
37 37 A 0 0 0 0 0 0 100 0 0 0 0 0 0 0 0 0 0 0 0 0 39 0 0 0.000 0 1.00
## INSERTION LIST
AliNo IPOS JPOS Len Sequence
39 22 23 1 gIs
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