Complet list of 1cti hssp file
Complete list of 1cti.hssp file
HSSP HOMOLOGY DERIVED SECONDARY STRUCTURE OF PROTEINS , VERSION 2.0 2011
PDBID 1CTI
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 2014-04-09
HEADER PROTEINASE INHIBITOR (TRYPSIN) 28-AUG-90 1CTI
COMPND MOL_ID: 1; MOLECULE: TRYPSIN INHIBITOR; CHAIN: A; ENGINEERED: YES
SOURCE MOL_ID: 1; ORGANISM_SCIENTIFIC: CUCURBITA MAXIMA; ORGANISM_COMMON: WIN
AUTHOR T.A.HOLAK,D.GONDOL,J.OTLEWSKI,T.WILUSZ
DBREF 1CTI A 1 29 UNP P01074 ITR1_CUCMA 1 29
SEQLENGTH 29
NCHAIN 1 chain(s) in 1CTI data set
NALIGN 40
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 : ITR1_CUCMA 2V1V 1.00 1.00 1 29 1 29 29 0 0 29 P01074 Trypsin inhibitor 1 OS=Cucurbita maxima PE=1 SV=1
2 : ITR4_CUCMA 0.97 0.97 1 29 4 32 29 0 0 32 P07853 Trypsin inhibitor 4 OS=Cucurbita maxima PE=1 SV=2
3 : ITR3_CUCPE 2STB 0.93 1.00 1 29 4 32 29 0 0 32 P10293 Trypsin inhibitor 3 OS=Cucurbita pepo PE=1 SV=1
4 : ITI1_LAGSI 0.83 0.86 1 29 2 30 29 0 0 30 P26771 Trypsin inhibitor 1 OS=Lagenaria siceraria PE=1 SV=2
5 : ITR6_CYCPE 0.83 0.93 1 29 2 30 29 0 0 30 P83397 Trypsin inhibitor 6 OS=Cyclanthera pedata PE=1 SV=1
6 : ITR7_CYCPE 0.83 0.93 1 29 2 30 29 0 0 30 P83398 Trypsin inhibitor 7 OS=Cyclanthera pedata PE=1 SV=1
7 : ITR1_LUFAE 0.79 0.93 1 29 1 29 29 0 0 29 P25849 Trypsin inhibitor 1 OS=Luffa aegyptiaca PE=1 SV=1
8 : ITR1_MOMRE 0.79 0.93 2 29 2 29 28 0 0 29 P17680 Trypsin inhibitor 1 OS=Momordica repens PE=1 SV=1
9 : ITR3_LUFAE 0.79 0.93 1 29 1 29 29 0 0 29 Q9S8I2 Trypsin inhibitor 3 OS=Luffa aegyptiaca PE=1 SV=1
10 : ITR2_LUFAE 0.77 0.90 1 29 1 30 30 1 1 30 P25850 Trypsin inhibitor 2 OS=Luffa aegyptiaca PE=1 SV=1
11 : ITR1_CITLA 0.76 0.90 1 29 2 30 29 0 0 30 P11969 Trypsin inhibitor 1 OS=Citrullus lanatus PE=1 SV=1
12 : ITR2B_CUCSA 0.76 0.86 2 29 2 30 29 1 1 32 P10291 Trypsin inhibitor 2b OS=Cucumis sativus PE=1 SV=1
13 : ITR2_BRYDI 0.76 0.83 1 29 1 29 29 0 0 29 P11968 Trypsin inhibitor 2 OS=Bryonia dioica PE=1 SV=1
14 : ITR3_CYCPE 0.76 0.90 1 29 1 29 29 0 0 29 P83394 Trypsin inhibitor 3 OS=Cyclanthera pedata PE=1 SV=1
15 : ITR4_CUCSA 0.76 0.83 2 29 2 30 29 1 1 30 P10292 Trypsin inhibitor 4 OS=Cucumis sativus PE=1 SV=1
16 : ITR4_CYCPE 0.76 0.93 1 29 1 29 29 0 0 29 P83395 Trypsin inhibitor 4 OS=Cyclanthera pedata PE=1 SV=1
17 : ITR5_CYCPE 0.76 0.90 1 29 1 29 29 0 0 29 P83396 Trypsin inhibitor 5 OS=Cyclanthera pedata PE=1 SV=1
18 : ITR4_LUFAE 0.75 0.89 2 29 1 28 28 0 0 28 P35628 Trypsin inhibitor 4 OS=Luffa aegyptiaca PE=1 SV=1
19 : ITR2_ECBEL 1W7Z 0.74 0.85 3 29 2 28 27 0 0 30 P12071 Trypsin inhibitor 2 OS=Ecballium elaterium PE=1 SV=2
20 : ITR2_SECED 0.72 0.79 1 29 4 32 29 0 0 32 P84451 Trypsin inhibitor 2b OS=Sechium edule PE=1 SV=1
21 : ITR3_CUCMC 0.69 0.90 1 29 2 30 29 0 0 30 P32041 Trypsin inhibitor 3 OS=Cucumis melo var. conomon PE=1 SV=1
22 : Q9S8W2_CUCME 0.69 0.90 1 29 2 30 29 0 0 30 Q9S8W2 CMCTI-III=TRYPSIN inhibitor OS=Cucumis melo PE=3 SV=1
23 : Q9S8W3_CUCME 0.68 0.89 2 29 1 28 28 0 0 28 Q9S8W3 CMCTI-I=TRYPSIN inhibitor OS=Cucumis melo PE=3 SV=1
24 : ITR1_TRIKI 0.67 0.74 3 29 39 65 27 0 0 65 Q43667 Trypsin inhibitor 1 OS=Trichosanthes kirilowii PE=3 SV=1
25 : Q9S8D2_CUCME 0.67 0.74 3 29 3 29 27 0 0 29 Q9S8D2 CMETI-B=TRYPSIN inhibitor OS=Cucumis melo PE=3 SV=1
26 : ITR1_MOMCH 0.66 0.86 1 29 2 30 29 0 0 30 P10294 Trypsin inhibitor 1 OS=Momordica charantia PE=1 SV=1
27 : ITR3_MOMCH 0.66 0.86 1 29 2 30 29 0 0 30 Q9S747 Trypsin inhibitor 3 OS=Momordica charantia PE=1 SV=1
28 : ITR3_MOMCO 2LJS 0.66 0.83 1 29 2 30 29 0 0 30 P82410 Trypsin inhibitor 3 OS=Momordica cochinchinensis PE=1 SV=1
29 : ITR5_LUFAE 0.64 0.79 2 29 36 63 28 0 0 63 P34950 Trypsin inhibitor 5 OS=Luffa aegyptiaca PE=1 SV=1
30 : A6N2U8_MOMCH 0.62 0.86 1 29 1 28 29 1 1 28 A6N2U8 Trypsin inhibitor 2 (Fragment) OS=Momordica charantia PE=3 SV=1
31 : IELI_MOMCH 0.62 0.83 1 29 4 31 29 1 1 31 P10296 Elastase inhibitor 4 OS=Momordica charantia PE=1 SV=2
32 : ITR2_MOMCH 1F2S 0.62 0.86 1 29 1 28 29 1 1 28 P10295 Trypsin inhibitor 2 OS=Momordica charantia PE=1 SV=1
33 : J3R2I9_MOMCO 0.62 0.79 1 29 303 331 29 0 0 331 J3R2I9 Two inhibitor peptide topologies 2 (Precursor) OS=Momordica cochinchinensis GN=TIPTOP2 PE=2 SV=1
34 : J3R9Z5_MOMCO 0.62 0.79 1 29 403 431 29 0 0 431 J3R9Z5 Two inhibitor peptide topologies 3 (Precursor) OS=Momordica cochinchinensis GN=TIPTOP3 PE=2 SV=1
35 : J3RCD6_MOMCO 0.62 0.79 1 29 253 281 29 0 0 281 J3RCD6 Two inhibitor peptide topologies 1 (Precursor) OS=Momordica cochinchinensis GN=TIPTOP1 PE=2 SV=1
36 : J7IN40_9ROSI 0.62 0.79 1 29 302 330 29 0 0 330 J7IN40 Two inhibitor peptide topologies 2 OS=Momordica sphaeroidea GN=TIPTOP2 PE=3 SV=1
37 : ITR5_SECED 0.59 0.74 3 29 1 27 27 0 0 27 P84452 Trypsin inhibitor 5 OS=Sechium edule PE=1 SV=1
38 : ITRA_MOMCH 1MCT 0.59 0.72 1 29 1 28 29 1 1 28 P30709 Trypsin inhibitor A OS=Momordica charantia PE=1 SV=1
39 : ITR1_MOMCO 0.57 0.79 2 29 7 34 28 0 0 34 P82408 Trypsin inhibitor 1 OS=Momordica cochinchinensis PE=1 SV=1
40 : ITR2_MOMCO 2PO8 0.57 0.79 2 29 7 34 28 0 0 34 P82409 Trypsin inhibitor 2 OS=Momordica cochinchinensis PE=1 SV=1
## ALIGNMENTS 1 - 40
SeqNo PDBNo AA STRUCTURE BP1 BP2 ACC NOCC VAR ....:....1....:....2....:....3....:....4....:....5....:....6....:....7
1 1 A R 0 0 262 29 0 RRRRRRR RRR RR RR RRR RRR RRRRRRR R
2 2 A V + 0 0 97 37 72 VVVRIIIIIIRVGIMIII KMMM RGAIIIIAAAA SVV
3 3 A a - 0 0 29 41 0 CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC
4 4 A P - 0 0 83 41 0 PPPPPPPPPPPPPPPPPPPPPPPPPPPPPPPPPPPPPPPP
5 5 A R S S+ 0 0 227 41 22 RRKRRRRRRRRKRRRRRRRKKKKRRRRRRRLRRRRRRRKK
6 6 A I - 0 0 101 41 0 IIIIIIIIIIIIIIIIIIIIIIIIIIIIIIIIIIIIIIII
7 7 A L + 0 0 132 41 21 LLLYLLLLLLYLLLLLLLLLLLLLLLLLLWWWLLLLLWLL
8 8 A M - 0 0 77 41 38 MMMMMMMMMMMMMMMMMMMMMMMMMKKKMMMMKKKKMMQK
9 9 A E B +A 27 0A 135 41 58 EKEEKKEEEEEKREKEEPRRKKKPKQQKPEEEKKKKKERK
10 10 A b - 0 0 22 41 0 CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC
11 11 A K S S+ 0 0 178 41 33 KKKKKKSKSSKKKKKKKSKKKKKKKKKRKKKKRRRRKTRR
12 12 A K S > S- 0 0 125 41 72 KKKHKKSRSSRHRAHAASQRQQQVTRQRTRRRRRRRLRRR
13 13 A D G > S+ 0 0 81 41 3 DDDDDDDDDDDDDDDDDDDDDDDNDDDDDDDDDDDDDDDD
14 14 A S G 3 S+ 0 0 88 41 22 SSSSSSSSSSASSSSSSSSSSSSDRSSSDSSSSSSSTSSS
15 15 A D G < S+ 0 0 56 41 0 DDDDDDDDDDDDDDDDDDDDDDDDDDDDDDDDDDDDDDDD
16 16 A c S < S- 0 0 19 41 0 CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC
17 17 A L S > S+ 0 0 155 41 54 LLLLLLLLLLLLLLLLLLLLLLLLLPPPMMLMPPPPFMPP
18 18 A A T 3 S- 0 0 67 41 60 AAAAAAAAAAALAAPAAAAALLLRTGGGLAAAGGGGPAGG
19 19 A E T 3 S+ 0 0 127 41 51 EEEDEEEQEEDDGQGQQEGKDDDGGEEEDQQQEEEETKAA
20 20 A a < - 0 0 19 41 0 CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC
21 21 A V - 0 0 61 41 36 VVIVIIIVIIVVVIVIIIVTVVVKTIIIRIIIIIIITIII
22 22 A b B -B 28 0B 26 41 0 CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC
23 23 A L > - 0 0 86 41 77 LLLLEQLKLLLLQELQQLGQLLLLKMMKLVVVKQKQRVRR
24 24 A E T 3 S+ 0 0 184 41 64 EEEEEEEREEQEKEEEEEPEKKKSRAAESDDDGGGGPAGG
25 25 A H T 3 S- 0 0 143 41 62 HHHHHHQQNqHdNShNSNNSEEENNHHNNGGGNNNNSGNN
26 26 A G S < S+ 0 0 29 37 3 GGGGGGGGGgGgGGeGGGGGGGGGGGGGG...GGGGG.GG
27 27 A Y B S-A 9 0A 105 41 29 YYYIFFFYFFIYYFYFFFFYFFFYYFFYYHHHYYYYFHYY
28 28 A c B B 22 0B 5 41 0 CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC
29 29 A G 0 0 32 41 0 GGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGG
## 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 0 100 0 0 0 0 0 29 0 0 0.000 0 1.00
2 2 A 19 0 38 11 0 0 0 5 14 0 3 0 0 0 8 3 0 0 0 0 37 0 0 1.750 58 0.28
3 3 A 0 0 0 0 0 0 0 0 0 0 0 0 100 0 0 0 0 0 0 0 41 0 0 0.000 0 1.00
4 4 A 0 0 0 0 0 0 0 0 0 100 0 0 0 0 0 0 0 0 0 0 41 0 0 0.000 0 1.00
5 5 A 0 2 0 0 0 0 0 0 0 0 0 0 0 0 78 20 0 0 0 0 41 0 0 0.603 20 0.77
6 6 A 0 0 100 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 41 0 0 0.000 0 1.00
7 7 A 0 85 0 0 0 10 5 0 0 0 0 0 0 0 0 0 0 0 0 0 41 0 0 0.509 17 0.79
8 8 A 0 0 0 78 0 0 0 0 0 0 0 0 0 0 0 20 2 0 0 0 41 0 0 0.603 20 0.62
9 9 A 0 0 0 0 0 0 0 0 0 7 0 0 0 0 10 39 5 39 0 0 41 0 0 1.300 43 0.41
10 10 A 0 0 0 0 0 0 0 0 0 0 0 0 100 0 0 0 0 0 0 0 41 0 0 0.000 0 1.00
11 11 A 0 0 0 0 0 0 0 0 0 0 10 2 0 0 17 71 0 0 0 0 41 0 0 0.864 28 0.66
12 12 A 2 2 0 0 0 0 0 0 7 0 10 5 0 7 39 15 12 0 0 0 41 0 0 1.843 61 0.28
13 13 A 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 2 98 41 0 0 0.115 3 0.97
14 14 A 0 0 0 0 0 0 0 0 2 0 88 2 0 0 2 0 0 0 0 5 41 0 0 0.533 17 0.77
15 15 A 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 100 41 0 0 0.000 0 1.00
16 16 A 0 0 0 0 0 0 0 0 0 0 0 0 100 0 0 0 0 0 0 0 41 0 0 0.000 0 1.00
17 17 A 0 66 0 10 2 0 0 0 0 22 0 0 0 0 0 0 0 0 0 0 41 0 0 0.926 30 0.46
18 18 A 0 12 0 0 0 0 0 22 56 5 0 2 0 0 2 0 0 0 0 0 41 0 0 1.242 41 0.40
19 19 A 0 0 0 0 0 0 0 12 5 0 0 2 0 0 0 5 17 41 0 17 41 0 0 1.610 53 0.48
20 20 A 0 0 0 0 0 0 0 0 0 0 0 0 100 0 0 0 0 0 0 0 41 0 0 0.000 0 1.00
21 21 A 32 0 56 0 0 0 0 0 0 0 0 7 0 0 2 2 0 0 0 0 41 0 0 1.061 35 0.64
22 22 A 0 0 0 0 0 0 0 0 0 0 0 0 100 0 0 0 0 0 0 0 41 0 0 0.000 0 1.00
23 23 A 10 41 0 5 0 0 0 2 0 0 0 0 0 0 7 12 17 5 0 0 41 0 0 1.727 57 0.23
24 24 A 0 0 0 0 0 0 0 15 7 5 5 0 0 0 5 10 2 44 0 7 41 0 0 1.785 59 0.35
25 25 A 0 0 0 0 0 0 0 10 0 0 10 0 0 27 0 0 7 7 37 2 41 4 3 1.648 55 0.37
26 26 A 0 0 0 0 0 0 0 97 0 0 0 0 0 0 0 0 0 3 0 0 37 0 0 0.124 4 0.96
27 27 A 0 0 5 0 39 0 46 0 0 0 0 0 0 10 0 0 0 0 0 0 41 0 0 1.098 36 0.71
28 28 A 0 0 0 0 0 0 0 0 0 0 0 0 100 0 0 0 0 0 0 0 41 0 0 0.000 0 1.00
29 29 A 0 0 0 0 0 0 0 100 0 0 0 0 0 0 0 0 0 0 0 0 41 0 0 0.000 0 1.00
## INSERTION LIST
AliNo IPOS JPOS Len Sequence
10 26 26 1 qDg
12 25 26 1 dIg
15 25 26 1 hIe
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