Complet list of 1j5j hssp file
Complete list of 1j5j.hssp file
HSSP HOMOLOGY DERIVED SECONDARY STRUCTURE OF PROTEINS , VERSION 2.0 2011
PDBID 1J5J
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 TOXIN 16-APR-02 1J5J
COMPND MOL_ID: 1; MOLECULE: BEKM-1 TOXIN; CHAIN: A; ENGINEERED: YES
SOURCE MOL_ID: 1; ORGANISM_SCIENTIFIC: MESOBUTHUS EUPEUS; ORGANISM_COMMON: LE
AUTHOR Y.V.KOROLOKOVA,E.V.BOCHAROV,K.ANGELO,I.V.MASLENNIKOV, O.V.GRINENKO,A.V
DBREF 1J5J A 1 36 UNP Q9BKB7 SEKM_BUTEU 22 57
SEQLENGTH 36
NCHAIN 1 chain(s) in 1J5J data set
NALIGN 19
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 : KGX21_MESEU 1LGL 1.00 1.00 1 36 22 57 36 0 0 57 Q9BKB7 Potassium channel toxin gamma-KTx 2.1 OS=Mesobuthus eupeus PE=1 SV=1
2 : KGX22_MESMA 0.94 0.97 1 36 22 57 36 0 0 57 P59938 Potassium channel toxin gamma-KTx 2.2 OS=Mesobuthus martensii PE=2 SV=1
3 : A0RZD1_MESMA 0.62 0.76 3 36 23 56 34 0 0 57 A0RZD1 Potassium-channel toxin protein OS=Mesobuthus martensii GN=TX1 PE=3 SV=1
4 : KAX15_MESMA 1BIG 0.62 0.76 3 36 23 56 34 0 0 57 Q9NII6 Potassium channel toxin alpha-KTx 1.5 OS=Mesobuthus martensii PE=1 SV=1
5 : V9LLY8_MESMA 0.62 0.76 3 36 23 56 34 0 0 57 V9LLY8 Toxin BmTX4 OS=Mesobuthus martensii PE=3 SV=1
6 : KAX1F_MESMA 0.59 0.76 3 36 23 56 34 0 0 57 H2ER23 Potassium channel toxin alpha-KTx 1.15 OS=Mesobuthus martensii PE=2 SV=1
7 : KAX16_MESMA 2BMT 0.50 0.68 3 36 24 57 34 0 0 58 Q9NII5 Potassium channel toxin alpha-KTx 1.6 OS=Mesobuthus martensii PE=1 SV=1
8 : KAX1E_MESMA 0.50 0.71 3 36 25 58 34 0 0 59 H2ETQ6 Potassium channel toxin alpha-KTx 1.14 OS=Mesobuthus martensii PE=2 SV=1
9 : Q1EFP8_MESMA 0.50 0.68 3 36 24 57 34 0 0 58 Q1EFP8 Potassium channel toxin BmKTX2' OS=Mesobuthus martensii PE=3 SV=1
10 : KAX41_TITSE 1HP2 0.48 0.71 6 36 6 36 31 0 0 37 P46114 Potassium channel toxin alpha-KTx 4.1 OS=Tityus serrulatus PE=1 SV=1
11 : KAX43_TITDI 0.48 0.76 4 36 4 36 33 0 0 37 P59925 Potassium channel toxin alpha-KTx 4.3 OS=Tityus discrepans PE=1 SV=1
12 : KAX46_TITST 0.48 0.71 6 36 6 36 31 0 0 37 P0CB56 Potassium channel toxin alpha-KTx 4.6 OS=Tityus stigmurus PE=1 SV=1
13 : KAX19_CENLM 0.47 0.69 4 35 4 35 32 0 0 36 P59848 Potassium channel toxin alpha-KTx 1.9 (Fragment) OS=Centruroides limbatus PE=1 SV=1
14 : KAX1X_MESMA 0.47 0.65 3 36 24 57 34 0 0 58 H2ER22 Potassium channel toxin alpha-KTx Kcug1a OS=Mesobuthus martensii PE=2 SV=1
15 : KAX2A_CENEL 0.47 0.71 4 36 4 37 34 1 1 38 P0C163 Potassium channel toxin alpha-KTx 2.10 OS=Centruroides elegans PE=1 SV=1
16 : KAX3B_ODODO 0.47 0.65 2 35 3 35 34 1 1 38 P0C909 Potassium channel toxin alpha-KTx 3.11 OS=Odontobuthus doriae PE=1 SV=1
17 : KAX44_TITOB 0.47 0.72 5 36 5 36 32 0 0 37 P60210 Potassium channel toxin alpha-KTx 4.4 OS=Tityus obscurus PE=1 SV=1
18 : KAX6A_OPICA 0.47 0.69 5 36 26 57 32 0 0 60 Q6XLL5 Potassium channel toxin alpha-KTx 6.10 OS=Opistophthalmus carinatus PE=2 SV=1
19 : KA125_LYCMC 0.44 0.72 1 36 24 59 36 0 0 60 P0CH12 Potassium channel toxin alpha-KTx 12.5 OS=Lychas mucronatus PE=2 SV=1
## ALIGNMENTS 1 - 19
SeqNo PDBNo AA STRUCTURE BP1 BP2 ACC NOCC VAR ....:....1....:....2....:....3....:....4....:....5....:....6....:....7
1 1 A R 0 0 226 4 43 RR K
2 2 A P E -A 34 0A 98 5 48 PP P H
3 3 A T E - 0 0A 44 13 0 TTTTTTTTT T T T
4 4 A D E + 0 0A 132 16 26 DDDDDDNDN N DNND D
5 5 A I E - 0 0A 39 18 13 IIVVVVVVV V VVVVVII
6 6 A K E +A 32 0A 174 20 34 KKKKKKSRSKKKKSKKKRK
7 7 A a - 0 0 12 20 0 CCCCCCCCCCCCCCCCCCC
8 8 A S S S+ 0 0 86 20 61 SSTTTTSSSRTRTSSRRSS
9 9 A E S > S- 0 0 108 20 58 EAGGAAAAAGGGTALGGGS
10 10 A S G >> S+ 0 0 35 20 8 SSSSSSSSSSSSSSPSSSS
11 11 A Y G 34 S+ 0 0 149 20 90 YYKKKKSSSPKPKSQPKKS
12 12 A Q G <> S+ 0 0 61 20 36 QQQQQQQKQEQEEQQQEQS
13 13 A b H <> S+ 0 0 0 20 0 CCCCCCCCCCCCCCCCCCC
14 14 A F H X S+ 0 0 82 20 39 FFWWWWWWWLLLWWLILYY
15 15 A P H > S+ 0 0 60 20 36 PPPPPPPPPPPPPPRQPGE
16 16 A V H X S+ 0 0 62 20 67 VVVVVVVVVKAKPVPPAPP
17 17 A c H X>S+ 0 0 0 20 0 CCCCCCCCCCCCCCCCCCC
18 18 A K H <5S+ 0 0 133 20 19 KKKKKNKKKKKKKEKKKKR
19 19 A S H <5S+ 0 0 108 20 75 SSQQQQKKKEAQAKDDAQG
20 20 A R H <5S+ 0 0 173 20 88 RRMMMMLLLAAAALRAAQV
21 21 A F T <5S- 0 0 90 20 66 FFFFFFFFFIVITFFGVTT
22 22 A G < + 0 0 57 20 13 GGGGGGGGGGGGGGgMGGG
23 23 A K - 0 0 87 20 62 KKKKKKTTTKKKKThRKCR
24 24 A T S S- 0 0 109 19 84 TTPPPPYYYAAAAYA.ATA
25 25 A N - 0 0 69 20 82 NNNNNNRKRAAAARGFANH
26 26 A G E -B 35 0A 3 20 7 GGGGGGGGGGGGGGGGGSG
27 27 A R E -B 34 0A 151 20 15 RRKKKKKKKKKKKKKKKKK
28 28 A a E -B 33 0A 22 20 0 CCCCCCCCCCCCCCCCCCC
29 29 A V E > -B 32 0A 59 20 32 VVMMMMMKMMMMMMIMMMM
30 30 A N T 3 S- 0 0 148 20 0 NNNNNNNNNNNNNNNNNNN
31 31 A G T 3 S+ 0 0 29 20 41 GGGGGGSSSGGGKSGGGKG
32 32 A F E < S-AB 6 29A 97 20 59 FLKKKKKKKKKKKKKKKVR
33 33 A b E - B 0 28A 3 20 0 CCCCCCCCCCCCCCCCCCC
34 34 A D E -AB 2 27A 37 20 60 DDRRRRRRRKKKKRKHKKT
35 35 A c E B 0 26A 4 20 0 CCCCCCCCCCCCCCCCCCC
36 36 A F 0 0 117 18 2 FFYYYYYYYYYY YY YYY
## 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 75 25 0 0 0 0 4 0 0 0.562 18 0.56
2 2 A 0 0 0 0 0 0 0 0 0 80 0 0 0 20 0 0 0 0 0 0 5 0 0 0.500 16 0.51
3 3 A 0 0 0 0 0 0 0 0 0 0 0 100 0 0 0 0 0 0 0 0 13 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 31 69 16 0 0 0.621 20 0.74
5 5 A 72 0 28 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 18 0 0 0.591 19 0.86
6 6 A 0 0 0 0 0 0 0 0 0 0 15 0 0 0 10 75 0 0 0 0 20 0 0 0.731 24 0.66
7 7 A 0 0 0 0 0 0 0 0 0 0 0 0 100 0 0 0 0 0 0 0 20 0 0 0.000 0 1.00
8 8 A 0 0 0 0 0 0 0 0 0 0 50 30 0 0 20 0 0 0 0 0 20 0 0 1.030 34 0.38
9 9 A 0 5 0 0 0 0 0 40 35 0 5 5 0 0 0 0 0 10 0 0 20 0 0 1.414 47 0.42
10 10 A 0 0 0 0 0 0 0 0 0 5 95 0 0 0 0 0 0 0 0 0 20 0 0 0.199 6 0.91
11 11 A 0 0 0 0 0 0 15 0 0 15 25 0 0 0 0 40 5 0 0 0 20 0 0 1.432 47 0.10
12 12 A 0 0 0 0 0 0 0 0 0 0 5 0 0 0 0 5 70 20 0 0 20 0 0 0.871 29 0.63
13 13 A 0 0 0 0 0 0 0 0 0 0 0 0 100 0 0 0 0 0 0 0 20 0 0 0.000 0 1.00
14 14 A 0 25 5 0 15 45 10 0 0 0 0 0 0 0 0 0 0 0 0 0 20 0 0 1.371 45 0.60
15 15 A 0 0 0 0 0 0 0 5 0 80 0 0 0 0 5 0 5 5 0 0 20 0 0 0.778 25 0.63
16 16 A 55 0 0 0 0 0 0 0 10 25 0 0 0 0 0 10 0 0 0 0 20 0 0 1.136 37 0.33
17 17 A 0 0 0 0 0 0 0 0 0 0 0 0 100 0 0 0 0 0 0 0 20 0 0 0.000 0 1.00
18 18 A 0 0 0 0 0 0 0 0 0 0 0 0 0 0 5 85 0 5 5 0 20 0 0 0.588 19 0.80
19 19 A 0 0 0 0 0 0 0 5 15 0 15 0 0 0 0 20 30 5 0 10 20 0 0 1.782 59 0.25
20 20 A 5 20 0 20 0 0 0 0 30 0 0 0 0 0 20 0 5 0 0 0 20 0 0 1.626 54 0.11
21 21 A 10 0 10 0 60 0 0 5 0 0 0 15 0 0 0 0 0 0 0 0 20 0 0 1.201 40 0.34
22 22 A 0 0 0 5 0 0 0 95 0 0 0 0 0 0 0 0 0 0 0 0 20 0 1 0.199 6 0.87
23 23 A 0 0 0 0 0 0 0 0 0 0 0 20 5 5 10 60 0 0 0 0 20 1 0 1.158 38 0.38
24 24 A 0 0 0 0 0 0 21 0 37 21 0 21 0 0 0 0 0 0 0 0 19 0 0 1.352 45 0.16
25 25 A 0 0 0 0 5 0 0 5 25 0 0 0 0 5 15 5 0 0 40 0 20 0 0 1.597 53 0.18
26 26 A 0 0 0 0 0 0 0 95 0 0 5 0 0 0 0 0 0 0 0 0 20 0 0 0.199 6 0.92
27 27 A 0 0 0 0 0 0 0 0 0 0 0 0 0 0 15 85 0 0 0 0 20 0 0 0.423 14 0.85
28 28 A 0 0 0 0 0 0 0 0 0 0 0 0 100 0 0 0 0 0 0 0 20 0 0 0.000 0 1.00
29 29 A 15 0 5 75 0 0 0 0 0 0 0 0 0 0 0 5 0 0 0 0 20 0 0 0.800 26 0.67
30 30 A 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 100 0 20 0 0 0.000 0 1.00
31 31 A 0 0 0 0 0 0 0 70 0 0 20 0 0 0 0 10 0 0 0 0 20 0 0 0.802 26 0.59
32 32 A 5 5 0 0 10 0 0 0 0 0 0 0 0 0 5 75 0 0 0 0 20 0 0 0.895 29 0.40
33 33 A 0 0 0 0 0 0 0 0 0 0 0 0 100 0 0 0 0 0 0 0 20 0 0 0.000 0 1.00
34 34 A 0 0 0 0 0 0 0 0 0 0 0 5 0 5 40 35 0 0 0 15 20 0 0 1.318 43 0.39
35 35 A 0 0 0 0 0 0 0 0 0 0 0 0 100 0 0 0 0 0 0 0 20 0 0 0.000 0 1.00
36 36 A 0 0 0 0 17 0 83 0 0 0 0 0 0 0 0 0 0 0 0 0 18 0 0 0.451 15 0.98
## INSERTION LIST
AliNo IPOS JPOS Len Sequence
15 20 23 1 gQh
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