Complet list of 2crd hssp file
Complete list of 2crd.hssp file
HSSP HOMOLOGY DERIVED SECONDARY STRUCTURE OF PROTEINS , VERSION 2.0 2011
PDBID 2CRD
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 2014-05-17
HEADER NEUROTOXIN 17-FEB-93 2CRD
COMPND MOL_ID: 1; MOLECULE: CHARYBDOTOXIN; CHAIN: A; ENGINEERED: YES
SOURCE MOL_ID: 1; ORGANISM_SCIENTIFIC: LEIURUS QUINQUESTRIATUS HEBRAEUS; ORGA
AUTHOR F.BONTEMS,C.ROUMESTAND,B.GILQUIN,A.MENEZ,F.TOMA
DBREF 2CRD A 2 37 UNP P13487 SCKA_LEIQH 2 37
SEQLENGTH 37
NCHAIN 1 chain(s) in 2CRD data set
NALIGN 31
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 : KAX11_LEIQH 1BAH 1.00 1.00 2 37 24 59 36 0 0 59 P13487 Potassium channel toxin alpha-KTx 1.1 OS=Leiurus quinquestriatus hebraeus PE=1 SV=4
2 : KAX1C_LEIQH 0.94 0.97 2 37 24 59 36 0 0 59 P59943 Potassium channel toxin alpha-KTx 1.12 OS=Leiurus quinquestriatus hebraeus PE=3 SV=1
3 : KAX1D_LEIQH 0.92 0.97 2 37 2 37 36 0 0 37 P59944 Potassium channel toxin alpha-KTx 1.13 OS=Leiurus quinquestriatus hebraeus PE=1 SV=1
4 : KAX12_LEIQH 1LIR 0.78 0.97 2 37 24 59 36 0 0 59 P45628 Potassium channel toxin alpha-KTx 1.2 OS=Leiurus quinquestriatus hebraeus PE=1 SV=2
5 : KAX13_MESTA 0.69 0.77 2 36 2 36 35 0 0 37 P24663 Potassium channel toxin alpha-KTx 1.3 OS=Mesobuthus tamulus PE=1 SV=2
6 : KAX16_MESMA 2BMT 0.69 0.86 2 37 23 58 36 0 0 58 Q9NII5 Potassium channel toxin alpha-KTx 1.6 OS=Mesobuthus martensii PE=1 SV=1
7 : KAX1X_MESMA 0.69 0.86 2 37 23 58 36 0 0 58 H2ER22 Potassium channel toxin alpha-KTx Kcug1a OS=Mesobuthus martensii PE=2 SV=1
8 : Q1EFP8_MESMA 0.69 0.86 2 37 23 58 36 0 0 58 Q1EFP8 Potassium channel toxin BmKTX2' OS=Mesobuthus martensii PE=3 SV=1
9 : KAX14_CENLM 0.63 0.74 2 36 2 36 35 0 0 37 P0C167 Potassium channel toxin alpha-KTx 1.4 OS=Centruroides limbatus PE=1 SV=1
10 : A0RZD1_MESMA 0.61 0.81 2 37 22 57 36 0 0 57 A0RZD1 Potassium-channel toxin protein OS=Mesobuthus martensii GN=TX1 PE=3 SV=1
11 : KAX15_MESMA 1BIG 0.61 0.81 2 37 22 57 36 0 0 57 Q9NII6 Potassium channel toxin alpha-KTx 1.5 OS=Mesobuthus martensii PE=1 SV=1
12 : KAX1F_MESMA 0.61 0.83 2 37 22 57 36 0 0 57 H2ER23 Potassium channel toxin alpha-KTx 1.15 OS=Mesobuthus martensii PE=2 SV=1
13 : V9LLY8_MESMA 0.61 0.83 2 37 22 57 36 0 0 57 V9LLY8 Toxin BmTX4 OS=Mesobuthus martensii PE=3 SV=1
14 : KAX19_CENLM 0.59 0.74 2 35 2 35 34 0 0 36 P59848 Potassium channel toxin alpha-KTx 1.9 (Fragment) OS=Centruroides limbatus PE=1 SV=1
15 : KAX1E_MESMA 0.58 0.78 2 37 24 59 36 0 0 59 H2ETQ6 Potassium channel toxin alpha-KTx 1.14 OS=Mesobuthus martensii PE=2 SV=1
16 : KAX1B_CENNO 0.57 0.69 2 36 2 36 35 0 0 37 P0C182 Potassium channel toxin alpha-KTx 1.11 OS=Centruroides noxius PE=1 SV=1
17 : B8XH43_BUTOS 0.51 0.63 3 37 26 60 35 0 0 60 B8XH43 Putative potassium channel toxin Tx753 OS=Buthus occitanus israelis PE=3 SV=1
18 : KA158_MESMA 0.50 0.62 3 36 26 58 34 1 1 60 Q86BX0 Potassium channel toxin alpha-KTx 15.8 OS=Mesobuthus martensii PE=2 SV=1
19 : KA232_VAEMS 0.50 0.65 3 36 2 34 34 1 1 35 P0DJ32 Potassium channel toxin alpha-KTx 23.2 OS=Vaejovis mexicanus smithi PE=1 SV=1
20 : KAX43_TITDI 0.50 0.67 2 37 2 37 36 0 0 37 P59925 Potassium channel toxin alpha-KTx 4.3 OS=Tityus discrepans PE=1 SV=1
21 : KAX44_TITOB 0.50 0.64 2 37 2 37 36 0 0 37 P60210 Potassium channel toxin alpha-KTx 4.4 OS=Tityus obscurus PE=1 SV=1
22 : KAX45_TITCO 0.50 0.61 2 37 24 59 36 0 0 59 Q5G8B6 Potassium channel toxin alpha-KTx 4.5 OS=Tityus costatus PE=1 SV=1
23 : KAX21_CENNO 1SXM 0.49 0.70 2 37 2 38 37 1 1 39 P08815 Potassium channel toxin alpha-KTx 2.1 OS=Centruroides noxius PE=1 SV=3
24 : I6NWV2_HETLA 0.48 0.70 5 37 27 59 33 0 0 61 I6NWV2 Kv1.3 potassium channel blocker (Precursor) OS=Heterometrus laoticus GN=Tx3 PE=3 SV=1
25 : KAX28_CENEL 0.47 0.64 3 37 3 38 36 1 1 39 P0C161 Potassium channel toxin alpha-KTx 2.8 OS=Centruroides elegans PE=1 SV=1
26 : KAX22_CENMA 1MTX 0.46 0.68 2 37 2 38 37 1 1 39 P40755 Potassium channel toxin alpha-KTx 2.2 OS=Centruroides margaritatus PE=1 SV=1
27 : KAX29_CENEL 0.46 0.65 2 37 2 38 37 1 1 39 P0C162 Potassium channel toxin alpha-KTx 2.9 OS=Centruroides elegans PE=1 SV=1
28 : KAX_ISOMC 0.46 0.60 2 36 25 59 35 0 0 60 P0CJ24 Potassium channel toxin ImKTx88 OS=Isometrus maculatus PE=2 SV=1
29 : KAX2B_CENEL 0.44 0.64 2 36 2 37 36 1 1 39 P0C164 Potassium channel toxin alpha-KTx 2.11 OS=Centruroides elegans PE=1 SV=1
30 : KAX41_TITSE 1HP2 0.44 0.58 2 37 2 37 36 0 0 37 P46114 Potassium channel toxin alpha-KTx 4.1 OS=Tityus serrulatus PE=1 SV=1
31 : KAX46_TITST 0.44 0.61 2 37 2 37 36 0 0 37 P0CB56 Potassium channel toxin alpha-KTx 4.6 OS=Tityus stigmurus PE=1 SV=1
## ALIGNMENTS 1 - 31
SeqNo PDBNo AA STRUCTURE BP1 BP2 ACC NOCC VAR ....:....1....:....2....:....3....:....4....:....5....:....6....:....7
1 1 A X 0 0 91 0 0
2 2 A F B -A 34 0A 167 27 17 FFFFFFFFFFFFFFFF FFFI IIYIFF
3 3 A T - 0 0 15 31 53 TTTTTTTTITTTTITITTAIIII IIITIII
4 4 A N S S+ 0 0 138 31 38 NDNQDNNNDDDDDDDDNNANNNN NNNSNNN
5 5 A V - 0 0 35 32 29 VVVEVVVVVVVVVVVVVVIVVVVIVVVKVAA
6 6 A S - 0 0 72 32 60 SSSSDSSSSKKKKKRDPKSKKKKSKKKEKKK
7 7 A a - 0 0 40 32 0 CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC
8 8 A T S S+ 0 0 126 32 64 TTTTSSSSSTTTTTSTNQVTRRTTTTTNTRR
9 9 A T S > S- 0 0 72 31 63 TTTAVAAAVGGAATAVN.GGGGSGSSSGSGG
10 10 A S T 3> S+ 0 0 65 32 26 SSSSSSSSSSSSSSSSSGSSSSPSPPPSPSS
11 11 A K H 3> S+ 0 0 167 32 50 KKKNKSSSKKKKKKSKRGKKKPKKKKKSKPP
12 12 A E H <> S+ 0 0 76 32 41 EEEQEQQQEQQQQEKEPSEQEEQQQQQEQEE
13 13 A b H > S+ 0 0 1 32 0 CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC
14 14 A W H X S+ 0 0 117 32 56 WWWWWWWWWWWWWWWWVALLLLSYLLLYLLL
15 15 A S H X S+ 0 0 82 32 59 SSSSSPPPAPPPPPPAPSPPPPKDKPKSLPP
16 16 A V H X S+ 0 0 30 32 73 VVVIVVVVPVVVVPVPVVKAAKPPPPPHPKK
17 17 A c H X S+ 0 0 0 32 0 CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC
18 18 A Q H < S+ 0 0 104 32 40 QQEKKKEKKKKNKKKKIRKKKKKKKKKEKKK
19 19 A R H < S+ 0 0 203 32 75 RRKRDKKKAQQQQAKARRAAAEERDADGEEQ
20 20 A L H < S+ 0 0 91 32 73 LLLLLLLLAMMMMALAEEQAAALKLQLIIAA
21 21 A H S < S- 0 0 90 31 70 HHYHFFFFVFFFFTFFVI.VVIYTYFYTYII
22 22 A N S S+ 0 0 167 32 25 NNNNGGGGGGGGGGGGNGGGGGGGGGGGGGG
23 23 A T - 0 0 18 32 79 TTTTVTTTTKKKKKTVNVCKKKSCPQPKIKK
24 24 A S + 0 0 59 32 87 SSSNDYYYDPPPPAYDKAKAASSPHSHRHAA
25 25 A R + 0 0 148 32 81 RIRRRRRRRNNNNAKRNASAAAANAAASAAA
26 26 A G E +B 35 0A 10 32 3 GGGGGGGGGGGGGGGGGGGGGGgAgggGgGG
27 27 A K E -B 34 0A 85 32 0 KKKKKKKKKKKKKKKKKKKKKKkKkkkKkKK
28 28 A a E -B 33 0A 33 32 0 CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC
29 29 A M - 0 0 93 32 23 MMMMMMMMMMMMMMKMSIMMMMMMMMMIMMM
30 30 A N S S+ 0 0 166 32 13 NNNNGNNNGNNNNNNGNNNNNNNNNNNNNNN
31 31 A K S S- 0 0 175 32 63 KKKKKSSSKGGGGKSKGGKGGGGKGGGKGGG
32 32 A K - 0 0 101 32 6 KKKKKKKKKKKKKKKKKKKKKKKSKKKKKKK
33 33 A b E - B 0 28A 1 32 0 CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC
34 34 A R E -AB 2 27A 44 32 51 RRRRRRRRRRRRRKRKLVKKKKKKKKKYKKK
35 35 A c E - B 0 26A 1 32 0 CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC
36 36 A Y 0 0 100 31 0 YYYYYYYYYYYYY YYYYYYYYYYYYYYYYY
37 37 A S 0 0 101 24 58 SSSS SSS SSSS S P TPPNGNPN PP
## 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 0 0 0 0 0 0 0 0.000 0 1.00
2 2 A 0 0 15 0 81 0 4 0 0 0 0 0 0 0 0 0 0 0 0 0 27 0 0 0.572 19 0.82
3 3 A 0 0 42 0 0 0 0 0 3 0 0 55 0 0 0 0 0 0 0 0 31 0 0 0.805 26 0.46
4 4 A 0 0 0 0 0 0 0 0 3 0 3 0 0 0 0 0 3 0 58 32 31 0 0 1.013 33 0.62
5 5 A 81 0 6 0 0 0 0 0 6 0 0 0 0 0 0 3 0 3 0 0 32 0 0 0.732 24 0.70
6 6 A 0 0 0 0 0 0 0 0 0 3 34 0 0 0 3 50 0 3 0 6 32 0 0 1.212 40 0.40
7 7 A 0 0 0 0 0 0 0 0 0 0 0 0 100 0 0 0 0 0 0 0 32 0 0 0.000 0 1.00
8 8 A 3 0 0 0 0 0 0 0 0 0 19 56 0 0 13 0 3 0 6 0 32 1 0 1.287 42 0.36
9 9 A 10 0 0 0 0 0 0 32 23 0 16 16 0 0 0 0 0 0 3 0 31 0 0 1.626 54 0.36
10 10 A 0 0 0 0 0 0 0 3 0 16 81 0 0 0 0 0 0 0 0 0 32 0 0 0.567 18 0.74
11 11 A 0 0 0 0 0 0 0 3 0 9 16 0 0 0 3 66 0 0 3 0 32 0 0 1.113 37 0.50
12 12 A 0 0 0 0 0 0 0 0 0 3 3 0 0 0 0 3 47 44 0 0 32 0 0 1.042 34 0.58
13 13 A 0 0 0 0 0 0 0 0 0 0 0 0 100 0 0 0 0 0 0 0 32 0 0 0.000 0 1.00
14 14 A 3 31 0 0 0 53 6 0 3 0 3 0 0 0 0 0 0 0 0 0 32 0 0 1.198 39 0.44
15 15 A 0 3 0 0 0 0 0 0 6 53 25 0 0 0 0 9 0 0 0 3 32 0 0 1.294 43 0.40
16 16 A 47 0 3 0 0 0 0 0 6 28 0 0 0 3 0 13 0 0 0 0 32 0 0 1.362 45 0.27
17 17 A 0 0 0 0 0 0 0 0 0 0 0 0 100 0 0 0 0 0 0 0 32 0 0 0.000 0 1.00
18 18 A 0 0 3 0 0 0 0 0 0 0 0 0 0 0 3 72 9 9 3 0 32 0 0 1.006 33 0.59
19 19 A 0 0 0 0 0 0 0 3 22 0 0 0 0 0 22 16 16 13 0 9 32 0 0 1.835 61 0.25
20 20 A 0 41 6 13 0 0 0 0 25 0 0 0 0 0 0 3 6 6 0 0 32 1 0 1.601 53 0.27
21 21 A 13 0 13 0 35 0 16 0 0 0 0 10 0 13 0 0 0 0 0 0 31 0 0 1.681 56 0.30
22 22 A 0 0 0 0 0 0 0 81 0 0 0 0 0 0 0 0 0 0 19 0 32 0 0 0.483 16 0.74
23 23 A 9 0 3 0 0 0 0 0 0 6 3 31 6 0 0 34 3 0 3 0 32 0 0 1.732 57 0.21
24 24 A 0 0 0 0 0 0 13 0 19 16 22 0 0 9 3 6 0 0 3 9 32 0 0 2.030 67 0.12
25 25 A 0 0 3 0 0 0 0 0 38 0 6 0 0 0 31 3 0 0 19 0 32 0 0 1.435 47 0.18
26 26 A 0 0 0 0 0 0 0 97 3 0 0 0 0 0 0 0 0 0 0 0 32 0 5 0.139 4 0.96
27 27 A 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 100 0 0 0 0 32 0 0 0.000 0 1.00
28 28 A 0 0 0 0 0 0 0 0 0 0 0 0 100 0 0 0 0 0 0 0 32 0 0 0.000 0 1.00
29 29 A 0 0 6 88 0 0 0 0 0 0 3 0 0 0 0 3 0 0 0 0 32 0 0 0.507 16 0.76
30 30 A 0 0 0 0 0 0 0 9 0 0 0 0 0 0 0 0 0 0 91 0 32 0 0 0.311 10 0.87
31 31 A 0 0 0 0 0 0 0 50 0 0 13 0 0 0 0 38 0 0 0 0 32 0 0 0.974 32 0.37
32 32 A 0 0 0 0 0 0 0 0 0 0 3 0 0 0 0 97 0 0 0 0 32 0 0 0.139 4 0.94
33 33 A 0 0 0 0 0 0 0 0 0 0 0 0 100 0 0 0 0 0 0 0 32 0 0 0.000 0 1.00
34 34 A 3 3 0 0 0 0 3 0 0 0 0 0 0 0 47 44 0 0 0 0 32 0 0 1.042 34 0.49
35 35 A 0 0 0 0 0 0 0 0 0 0 0 0 100 0 0 0 0 0 0 0 32 0 0 0.000 0 1.00
36 36 A 0 0 0 0 0 0 100 0 0 0 0 0 0 0 0 0 0 0 0 0 31 0 0 0.000 0 1.00
37 37 A 0 0 0 0 0 0 0 4 0 25 54 4 0 0 0 0 0 0 13 0 24 0 0 1.203 40 0.41
## INSERTION LIST
AliNo IPOS JPOS Len Sequence
23 26 27 1 gAk
25 25 27 1 gAk
26 26 27 1 gAk
27 26 27 1 gAk
29 26 27 1 gAk
//