Complet list of 1q2k hssp file
Complete list of 1q2k.hssp file
HSSP HOMOLOGY DERIVED SECONDARY STRUCTURE OF PROTEINS , VERSION 2.0 2011
PDBID 1Q2K
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 2014-05-06
HEADER TOXIN 25-JUL-03 1Q2K
COMPND MOL_ID: 1; MOLECULE: NEUROTOXIN BMK37; CHAIN: A; SYNONYM: BMBKTX1; ENG
SOURCE MOL_ID: 1; SYNTHETIC: YES; OTHER_DETAILS: SOLID PHASE PEPTIDE SYNTHESI
AUTHOR Z.CAI,C.XU,Y.XU,W.LU,C.W.CHI,Y.SHI,J.WU
DBREF 1Q2K A 1 31 UNP P83407 SCBX_MESMA 1 31
SEQLENGTH 31
NCHAIN 1 chain(s) in 1Q2K data set
NALIGN 13
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 : KA191_MESMA 1R1G 1.00 1.00 1 31 1 31 31 0 0 31 P83407 Potassium channel toxin alpha-KTx 19.1 OS=Mesobuthus martensii PE=1 SV=1
2 : KAX1A_PARTR 0.60 0.76 7 30 11 35 25 1 1 37 P83112 Potassium channel toxin alpha-KTx 1.10 OS=Parabuthus transvaalicus PE=1 SV=1
3 : KTXA_LYCMC 0.57 0.73 1 30 29 58 30 0 0 61 D9U2B0 Putative neurotoxin-A OS=Lychas mucronatus PE=2 SV=1
4 : SCKP2_TITSE 0.55 0.66 2 30 29 55 29 1 2 68 P0C175 Peptide TsPep2 OS=Tityus serrulatus PE=1 SV=1
5 : SCKP3_TITSE 0.54 0.68 3 30 4 29 28 1 2 29 P0C176 Peptide TsPep3 OS=Tityus serrulatus PE=1 SV=1
6 : KA232_VAEMS 0.53 0.67 2 30 5 34 30 1 1 35 P0DJ32 Potassium channel toxin alpha-KTx 23.2 OS=Vaejovis mexicanus smithi PE=1 SV=1
7 : KAX45_TITCO 0.52 0.74 2 30 28 58 31 2 2 59 Q5G8B6 Potassium channel toxin alpha-KTx 4.5 OS=Tityus costatus PE=1 SV=1
8 : Q2Q1Y6_9HYME 0.52 0.59 1 29 19 47 29 0 0 68 Q2Q1Y6 Cysteine-rich peptide 2 OS=Copidosoma floridanum PE=4 SV=1
9 : T1DPB7_9SCOR 0.52 0.67 3 29 31 57 27 0 0 61 T1DPB7 CSab-Lyc-11 OS=Lychas buchari PE=4 SV=1
10 : KA101_CENNO 1PJV 0.50 0.57 1 30 29 58 30 0 0 62 O46028 Potassium channel toxin alpha-KTx 10.1 OS=Centruroides noxius PE=1 SV=1
11 : KA231_VAEMS 2K9O 0.50 0.70 2 30 5 34 30 1 1 36 P0DJ31 Potassium channel toxin alpha-KTx 23.1 OS=Vaejovis mexicanus smithi PE=1 SV=1
12 : KAX41_TITSE 1HP2 0.50 0.75 1 30 5 36 32 2 2 37 P46114 Potassium channel toxin alpha-KTx 4.1 OS=Tityus serrulatus PE=1 SV=1
13 : KAX46_TITST 0.50 0.75 1 30 5 36 32 2 2 37 P0CB56 Potassium channel toxin alpha-KTx 4.6 OS=Tityus stigmurus PE=1 SV=1
## ALIGNMENTS 1 - 13
SeqNo PDBNo AA STRUCTURE BP1 BP2 ACC NOCC VAR ....:....1....:....2....:....3....:....4....:....5....:....6....:....7
1 1 A A 0 0 147 7 17 A G A A AA
2 2 A A - 0 0 88 11 79 A SK SKA VSKK
3 3 A a - 0 0 48 13 0 C CCCCCCCCCCC
4 4 A Y > - 0 0 156 13 105 Y SGGVRDYVVRR
5 5 A S H > S+ 0 0 61 13 75 S NGGggTHYggg
6 6 A S H > S+ 0 0 79 11 69 S K..kpQPRppp
7 7 A D H > S+ 0 0 91 12 68 DEN..EEMKTEEE
8 8 A b H X S+ 0 0 1 14 0 CCCCCCCCCCCCC
9 9 A R H X S+ 0 0 128 14 94 RLVNNLLRVDPLL
10 10 A V H X S+ 0 0 94 14 81 VVSRRPPASKPPP
11 11 A K H X S+ 0 0 110 14 52 KKSKKKKGDDKKK
12 12 A c H <>S+ 0 0 0 14 0 CCCCCCCCCCCCC
13 13 A V H ><5S+ 0 0 87 14 88 VkQCCKkSVKRkk
14 14 A A H 3<5S+ 0 0 88 14 36 AaGAPAaAARAaa
15 15 A M T 3<5S- 0 0 144 14 91 MTSGGQIMQRQII
16 16 A G T < 5S+ 0 0 62 14 0 GGGGGGGGGGGGG
17 17 A F < - 0 0 65 14 98 FRNCCCKFFYCKK
18 18 A S S S- 0 0 92 14 72 SPSRRKSKARKAA
19 19 A S - 0 0 17 14 43 SNSSSSASSSNAA
20 20 A G E -A 29 0A 5 14 0 GGGGGGGGGGGGG
21 21 A K E -A 28 0A 65 14 27 KKKKKKKEQKKKK
22 22 A a E -A 27 0A 29 14 0 CCCCCCCCCCCCC
23 23 A I - 0 0 100 14 63 IMIIIMMANIMMM
24 24 A N S S- 0 0 164 14 33 NNNNNNNGYNNNN
25 25 A S S S+ 0 0 76 14 69 SRSGGKGGKNRGG
26 26 A K - 0 0 153 14 32 KKKKKKKMKAKKK
27 27 A b E -A 22 0A 61 14 0 CCCCCCCCCCCCC
28 28 A K E -A 21 0A 132 14 51 KKKQQKKYRKKKK
29 29 A c E -A 20 0A 32 14 0 CCCCCCCCCCCCC
30 30 A Y 0 0 106 12 0 YYYYYYY YYYY
31 31 A K 0 0 225 2 0 K
## 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 14 86 0 0 0 0 0 0 0 0 0 0 0 7 0 0 0.410 13 0.83
2 2 A 9 0 0 0 0 0 0 0 27 0 27 0 0 0 0 36 0 0 0 0 11 0 0 1.295 43 0.21
3 3 A 0 0 0 0 0 0 0 0 0 0 0 0 100 0 0 0 0 0 0 0 13 0 0 0.000 0 1.00
4 4 A 23 0 0 0 0 0 23 15 0 0 8 0 0 0 23 0 0 0 0 8 13 0 0 1.698 56 -0.06
5 5 A 0 0 0 0 0 0 8 54 0 0 15 8 0 8 0 0 0 0 8 0 13 2 5 1.411 47 0.24
6 6 A 0 0 0 0 0 0 0 0 0 45 18 0 0 0 9 18 9 0 0 0 11 0 0 1.414 47 0.31
7 7 A 0 0 0 8 0 0 0 0 0 0 0 8 0 0 0 8 0 50 8 17 12 0 0 1.474 49 0.31
8 8 A 0 0 0 0 0 0 0 0 0 0 0 0 100 0 0 0 0 0 0 0 14 0 0 0.000 0 1.00
9 9 A 14 36 0 0 0 0 0 0 0 7 0 0 0 0 21 0 0 0 14 7 14 0 0 1.631 54 0.05
10 10 A 21 0 0 0 0 0 0 0 7 36 14 0 0 0 14 7 0 0 0 0 14 0 0 1.631 54 0.18
11 11 A 0 0 0 0 0 0 0 7 0 0 7 0 0 0 0 71 0 0 0 14 14 0 0 0.895 29 0.48
12 12 A 0 0 0 0 0 0 0 0 0 0 0 0 100 0 0 0 0 0 0 0 14 0 0 0.000 0 1.00
13 13 A 21 0 0 0 0 0 0 0 0 0 7 0 14 0 7 43 7 0 0 0 14 0 4 1.537 51 0.12
14 14 A 0 0 0 0 0 0 0 7 79 7 0 0 0 0 7 0 0 0 0 0 14 0 0 0.755 25 0.64
15 15 A 0 0 21 21 0 0 0 14 0 0 7 7 0 0 7 0 21 0 0 0 14 0 0 1.834 61 0.08
16 16 A 0 0 0 0 0 0 0 100 0 0 0 0 0 0 0 0 0 0 0 0 14 0 0 0.000 0 1.00
17 17 A 0 0 0 0 29 0 7 0 0 0 0 0 29 0 7 21 0 0 7 0 14 0 0 1.611 53 0.02
18 18 A 0 0 0 0 0 0 0 0 21 7 29 0 0 0 21 21 0 0 0 0 14 0 0 1.537 51 0.27
19 19 A 0 0 0 0 0 0 0 0 21 0 64 0 0 0 0 0 0 0 14 0 14 0 0 0.892 29 0.56
20 20 A 0 0 0 0 0 0 0 100 0 0 0 0 0 0 0 0 0 0 0 0 14 0 0 0.000 0 1.00
21 21 A 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 86 7 7 0 0 14 0 0 0.509 16 0.73
22 22 A 0 0 0 0 0 0 0 0 0 0 0 0 100 0 0 0 0 0 0 0 14 0 0 0.000 0 1.00
23 23 A 0 0 43 43 0 0 0 0 7 0 0 0 0 0 0 0 0 0 7 0 14 0 0 1.103 36 0.36
24 24 A 0 0 0 0 0 0 7 7 0 0 0 0 0 0 0 0 0 0 86 0 14 0 0 0.509 16 0.67
25 25 A 0 0 0 0 0 0 0 43 0 0 21 0 0 0 14 14 0 0 7 0 14 0 0 1.438 47 0.31
26 26 A 0 0 0 7 0 0 0 0 7 0 0 0 0 0 0 86 0 0 0 0 14 0 0 0.509 16 0.67
27 27 A 0 0 0 0 0 0 0 0 0 0 0 0 100 0 0 0 0 0 0 0 14 0 0 0.000 0 1.00
28 28 A 0 0 0 0 0 0 7 0 0 0 0 0 0 0 7 71 14 0 0 0 14 0 0 0.895 29 0.49
29 29 A 0 0 0 0 0 0 0 0 0 0 0 0 100 0 0 0 0 0 0 0 14 0 0 0.000 0 1.00
30 30 A 0 0 0 0 0 0 100 0 0 0 0 0 0 0 0 0 0 0 0 0 12 0 0 0.000 0 1.00
31 31 A 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 100 0 0 0 0 2 0 0 0.000 0 1.00
## INSERTION LIST
AliNo IPOS JPOS Len Sequence
2 8 18 1 kQa
6 5 9 1 gSk
7 5 32 1 gSp
7 13 41 1 kEa
11 5 9 1 gSp
12 6 10 1 gSp
12 14 19 1 kEa
13 6 10 1 gSp
13 14 19 1 kQa
//