Complet list of 1kj0 hssp file
Complete list of 1kj0.hssp file
HSSP HOMOLOGY DERIVED SECONDARY STRUCTURE OF PROTEINS , VERSION 2.0 2011
PDBID 1KJ0
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 HYDROLASE 04-DEC-01 1KJ0
COMPND MOL_ID: 1; MOLECULE: SERINE PROTEASE INHIBITOR I; CHAIN: A; FRAGMENT:
SOURCE MOL_ID: 1; SYNTHETIC: YES; OTHER_DETAILS: SOLID PHASE PEPTIDE SYNTHESI
AUTHOR Z.GASPARI,A.PATTHY,L.GRAF,A.PERCZEL
DBREF 1KJ0 A 1 35 UNP O46162 SGP1_SCHGR 20 54
SEQLENGTH 35
NCHAIN 1 chain(s) in 1KJ0 data set
NALIGN 43
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 : SGP1_SCHGR 1.00 1.00 1 35 20 54 35 0 0 92 O46162 Serine protease inhibitor I/II OS=Schistocerca gregaria PE=1 SV=1
2 : Q4GZT5_SCHGR 0.87 0.93 3 32 25 54 30 0 0 96 Q4GZT5 Pacifastin-related 4a (Precursor) OS=Schistocerca gregaria GN=pp-4a PE=4 SV=1
3 : Q95PM3_SCHGR 0.87 0.93 3 32 25 54 30 0 0 96 Q95PM3 Pacifastin-related 4t (Precursor) OS=Schistocerca gregaria GN=PP4t PE=4 SV=3
4 : Q8WQ22_LOCMI 0.84 0.94 3 33 25 55 31 0 0 145 Q8WQ22 Pacifastin-related serine protease inhibitor (Precursor) OS=Locusta migratoria migratorioides GN=pp2 PE=1 SV=1
5 : LCM_LOCMI 0.79 0.88 1 34 20 53 34 0 0 92 P80060 Protease inhibitors OS=Locusta migratoria PE=1 SV=2
6 : Q5K4F7_SCHGR 0.79 0.93 4 32 26 54 29 0 0 146 Q5K4F7 Pacifastin-related peptide PP-5 (Precursor) OS=Schistocerca gregaria GN=pp-5 PE=2 SV=1
7 : Q8MYK3_SCHGR 0.64 0.82 1 33 22 54 33 0 0 151 Q8MYK3 Pacifastin-related peptide (Precursor) OS=Schistocerca gregaria GN=pp-3p PE=2 SV=1
8 : Q8MYK4_SCHGR 0.64 0.82 1 33 22 54 33 0 0 151 Q8MYK4 Pacifastin-related peptide (Precursor) OS=Schistocerca gregaria GN=pp-3a PE=2 SV=1
9 : Q8WQ21_LOCMI 0.64 0.82 1 33 22 54 33 0 0 197 Q8WQ21 Pacifastin-related serine protease inhibitor (Precursor) OS=Locusta migratoria migratorioides GN=pp3 PE=2 SV=1
10 : V5GNI4_ANOGL 0.60 0.77 3 32 51 79 30 1 1 136 V5GNI4 Serine protease inhibitor I/II (Fragment) OS=Anoplophora glabripennis GN=SGP1 PE=4 SV=1
11 : V5GYZ5_ANOGL 0.60 0.77 3 32 86 114 30 1 1 171 V5GYZ5 Serine protease inhibitor I/II (Fragment) OS=Anoplophora glabripennis GN=SGP1 PE=4 SV=1
12 : B3SCG0_TRIAD 0.59 0.72 7 35 497 525 29 0 0 1997 B3SCG0 Predicted protein OS=Trichoplax adhaerens GN=TRIADDRAFT_64394 PE=4 SV=1
13 : B0WU78_CULQU 0.57 0.80 2 35 64 98 35 1 1 432 B0WU78 Pacifastin light chain OS=Culex quinquefasciatus GN=CpipJ_CPIJ010990 PE=4 SV=1
14 : Q7QHR7_ANOGA 0.57 0.66 1 35 27 61 35 0 0 158 Q7QHR7 AGAP011319-PA (Fragment) OS=Anopheles gambiae GN=AGAP011319 PE=4 SV=4
15 : D2A563_TRICA 0.56 0.69 1 32 22 52 32 1 1 120 D2A563 Putative uncharacterized protein GLEAN_15479 OS=Tribolium castaneum GN=GLEAN_15479 PE=4 SV=1
16 : R4FJC8_RHOPR 0.55 0.76 1 33 20 52 33 0 0 170 R4FJC8 Putative pacifastin-related serine protease inhibitor OS=Rhodnius prolixus PE=2 SV=1
17 : SGP3_SCHGR 0.55 0.68 4 34 24 54 31 0 0 63 O46163 Serine protease inhibitor 3 OS=Schistocerca gregaria PE=1 SV=1
18 : Q17NZ1_AEDAE 0.54 0.74 2 35 97 131 35 1 1 351 Q17NZ1 AAEL000551-PA OS=Aedes aegypti GN=AAEL000551 PE=4 SV=1
19 : W5JP84_ANODA 0.54 0.69 2 35 96 130 35 1 1 595 W5JP84 Uncharacterized protein OS=Anopheles darlingi GN=AND_002015 PE=4 SV=1
20 : F5XVB4_GASAC 0.53 0.60 6 35 349 377 30 1 1 2842 F5XVB4 von Willebrand factor OS=Gasterosteus aculeatus GN=VWF PE=2 SV=1
21 : F5XVB9_ORYLA 0.53 0.60 6 35 351 379 30 1 1 2849 F5XVB9 von Willebrand factor OS=Oryzias latipes GN=VWF PE=2 SV=1
22 : G3PIF4_GASAC 0.53 0.60 6 35 331 359 30 1 1 2781 G3PIF4 Uncharacterized protein (Fragment) OS=Gasterosteus aculeatus PE=4 SV=1
23 : G6DIC0_DANPL 0.53 0.56 1 35 169 204 36 1 1 254 G6DIC0 Cysteine-rich/pacifastin venom protein 2 OS=Danaus plexippus GN=KGM_11391 PE=4 SV=1
24 : H2LXN2_ORYLA 0.53 0.60 6 35 353 381 30 1 1 2813 H2LXN2 Uncharacterized protein (Fragment) OS=Oryzias latipes PE=4 SV=1
25 : I3KD05_ORENI 0.53 0.60 6 35 365 393 30 1 1 2812 I3KD05 Uncharacterized protein (Fragment) OS=Oreochromis niloticus PE=4 SV=1
26 : M3ZNL1_XIPMA 0.53 0.60 6 35 353 381 30 1 1 2848 M3ZNL1 Uncharacterized protein OS=Xiphophorus maculatus PE=4 SV=1
27 : R4WCP6_9HEMI 0.53 0.67 4 33 31 60 30 0 0 80 R4WCP6 Uncharacterized protein OS=Riptortus pedestris PE=4 SV=1
28 : W6MNY0_9EUCA 0.53 0.74 1 34 80 113 34 0 0 159 W6MNY0 Pacifastin-like-3 protein (Fragment) OS=Coenobita clypeatus GN=pacifastin-like-3 PE=4 SV=1
29 : G3SQ89_LOXAF 0.52 0.59 6 34 837 864 29 1 1 2812 G3SQ89 Uncharacterized protein OS=Loxodonta africana PE=4 SV=1
30 : K7J3W0_NASVI 0.51 0.63 1 34 17 51 35 1 1 254 K7J3W0 Uncharacterized protein OS=Nasonia vitripennis PE=4 SV=1
31 : T1E1X3_9DIPT 0.51 0.71 2 35 56 90 35 1 1 483 T1E1X3 Putative serine protease inhibitor i/ii (Fragment) OS=Psorophora albipes PE=2 SV=1
32 : T1EB95_ANOAQ 0.51 0.66 2 35 102 136 35 1 1 220 T1EB95 Putative serine protease inhibitor i/ii (Fragment) OS=Anopheles aquasalis PE=2 SV=1
33 : U5EWN5_9DIPT 0.51 0.71 2 35 93 127 35 1 1 968 U5EWN5 Putative serine protease inhibitor i/ii OS=Corethrella appendiculata PE=2 SV=1
34 : F5XVC6_TAKRU 0.50 0.60 6 35 349 377 30 1 1 2814 F5XVC6 von Willebrand factor OS=Takifugu rubripes GN=VWF PE=2 SV=1
35 : H2RVZ9_TAKRU 0.50 0.60 6 35 360 388 30 1 1 2814 H2RVZ9 Uncharacterized protein OS=Takifugu rubripes GN=vwf PE=4 SV=1
36 : H2RW00_TAKRU 0.50 0.60 6 35 327 355 30 1 1 2771 H2RW00 Uncharacterized protein (Fragment) OS=Takifugu rubripes GN=vwf PE=4 SV=1
37 : W5K9A8_ASTMX 0.50 0.57 6 35 345 373 30 1 1 2637 W5K9A8 Uncharacterized protein (Fragment) OS=Astyanax mexicanus GN=VWF (2 of 2) PE=4 SV=1
38 : E0W2L8_PEDHC 0.49 0.60 1 32 169 203 35 1 3 208 E0W2L8 Major latex allergen Hev b, putative OS=Pediculus humanus subsp. corporis GN=Phum_PHUM595800 PE=4 SV=1
39 : G5AML5_HETGA 0.48 0.58 5 35 551 581 31 0 0 2846 G5AML5 SCO-spondin OS=Heterocephalus glaber GN=GW7_03472 PE=4 SV=1
40 : K7JX31_NASVI 0.48 0.61 4 35 20 52 33 1 1 563 K7JX31 Uncharacterized protein OS=Nasonia vitripennis PE=4 SV=1
41 : K7IZJ0_NASVI 0.47 0.56 1 35 188 223 36 1 1 295 K7IZJ0 Uncharacterized protein OS=Nasonia vitripennis PE=4 SV=1
42 : P91776_PACLE 0.47 0.72 3 34 387 417 32 1 1 420 P91776 Pacifastin light chain (Precursor) OS=Pacifastacus leniusculus PE=2 SV=1
43 : MSPI2_MELSA 0.46 0.57 1 33 1 35 35 1 2 36 B3A0N9 Serine protease inhibitor 2 OS=Melanoplus sanguinipes PE=1 SV=1
## ALIGNMENTS 1 - 43
SeqNo PDBNo AA STRUCTURE BP1 BP2 ACC NOCC VAR ....:....1....:....2....:....3....:....4....:....5....:....6....:....7
1 1 A E 0 0 241 15 21 E E EEE EEE E E N E K E
2 2 A Q - 0 0 149 21 65 Q E KKK QEAK QQ S R QQQQ D Q I
3 3 A E S S+ 0 0 115 27 78 EEEEK EEEEE VKEQ VV G E VVVV S IQS
4 4 A a + 0 0 14 31 0 CCCCCCCCCCC CCCCCCC C CC CCCC C CCCC
5 5 A T + 0 0 76 32 40 TTTTTTTTTSS TENTTTT T TE TVTT TTTKTE
6 6 A P S S- 0 0 98 43 20 PPPPPPPPPTT PPNPPPPPPPPPPPPAPPPPPPPPPPPPPEP
7 7 A G + 0 0 43 44 24 GGGGGGGGGGGGNGGGGNNGGGGGGGGGGGNNNGGGGGGGHGG
8 8 A Q - 0 0 134 44 67 QDDQQEEEEQQHETDTSEESSSSSASEAETEEESSSSESSSET
9 9 A T - 0 0 95 44 64 TTTTVKTTTTTITTTTRVITTTVTTTTKTYVIVSSSTTVYNST
10 10 A K - 0 0 73 44 85 KKKKKKKKKKKKKFKWKKKIVIFVVIWWVFKKRIIIIFTFFWF
11 11 A K B +A 16 0A 189 44 75 KKKKQKKKKQQKQMKKYMMSSSTSSSKRKKMMMSSSSKQKKRQ
12 12 A Q - 0 0 111 44 63 QEEQQELLLEEQEEVEDEKQQQQQQQERITEKEQQQQKKKDQD
13 13 A D S S+ 0 0 125 44 31 DDDDDDDDDDDSDDDDGDDDDDDDDDSGDEDDDDDDDLDDYDK
14 14 A b S S+ 0 0 61 44 0 CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC
15 15 A N - 0 0 31 44 4 NNNNNNNNNNNNNNNNNNNNNNNNNNRNNNNNNNNNNNNNNNN
16 16 A T B -A 11 0A 52 44 58 TTTTTTTTTTTTRKSTWRRTTTTTTTTRTTRRRTTTTDHMTMT
17 17 A c - 0 0 20 44 0 CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC
18 18 A N - 0 0 73 44 91 NRRTTTFFFFFKKRRFTKRVVVRVVVTMVVKRKVVVVTISFSR
19 19 A a - 0 0 8 44 0 CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC
20 20 A T B > -B 23 0B 53 44 82 TTTTTTSSTAALAGTSSAARRRTRRRSTRAAAARRRRPQSNSG
21 21 A P T 3 S+ 0 0 110 44 80 PPPPPADDKNNTAPNSSANHHHEHHHPADKANAHHHHPEMNTK
22 22 A T T 3 S- 0 0 82 44 66 TTTTTTSSAGGNNDGTGNNGGGDGGGKNRDNNNGGGGTRDDGD
23 23 A G B < S+B 20 0B 0 44 45 GGGGGGGGGNNGgGLGGggSSSgSSSGGKggggSSSSgGggLg
24 24 A V - 0 0 88 29 82 VVVIVVIII..GgQ.QAgg...h...ML.aggg....aLte.a
25 25 A W - 0 0 41 44 54 WWWWWWWWWWWWWKWIWWWWWWAWWWPAWSWWWWWWWAWAFRA
26 26 A A - 0 0 67 44 88 AVVGGAGGGAAGFASGIFFEEETEEEIANIFFFEEEETNAAIG
27 27 A c - 0 0 69 44 0 CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC
28 28 A T - 0 0 85 44 8 TTTTTTTTTTTTTTTTTTTTTTTTTTPTTTTTTTTTTTTTTST
29 29 A R + 0 0 226 44 86 RRRRRRLLLLLRRRKLLRRNNNLNNNRRDQRRRNNNNLADRVL
30 30 A K S S- 0 0 205 44 64 KKKKKRMMMKKMKKKMKKKEEEKEEEIKKKKKKEEEELHMMKK
31 31 A G - 0 0 48 44 70 GGGAGGGGAAAMAMVAYAAGGGQGGGLLVQAAAGGGETHLSGA
32 32 A b - 0 0 70 44 0 CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC
33 33 A P - 0 0 97 37 33 P RQ RRR PPP HPPPPPPVPPPPPDPPPPPPPP PPPPP
34 34 A P 0 0 124 30 58 P P PPP PPPGGGKGGG PAPPQPGGGG PNPP
35 35 A H 0 0 246 24 70 H NRN RREEEHEEE RRKEEEQ KEE
## 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 7 0 87 7 0 15 0 0 0.485 16 0.78
2 2 A 0 0 5 0 0 0 0 0 5 0 5 0 0 0 5 19 48 10 0 5 21 0 0 1.618 54 0.34
3 3 A 26 0 4 0 0 0 0 4 0 0 7 0 0 0 0 7 7 44 0 0 27 0 0 1.533 51 0.22
4 4 A 0 0 0 0 0 0 0 0 0 0 0 0 100 0 0 0 0 0 0 0 31 0 0 0.000 0 1.00
5 5 A 3 0 0 0 0 0 0 0 0 0 6 75 0 0 0 3 0 9 3 0 32 0 0 0.936 31 0.60
6 6 A 0 0 0 0 0 0 0 0 2 88 0 5 0 0 0 0 0 2 2 0 43 0 0 0.514 17 0.79
7 7 A 0 0 0 0 0 0 0 84 0 0 0 0 0 2 0 0 0 0 14 0 44 0 0 0.503 16 0.75
8 8 A 0 0 0 0 0 0 0 0 5 0 32 9 0 2 0 0 14 32 0 7 44 0 0 1.628 54 0.33
9 9 A 14 0 7 0 0 0 5 0 0 0 9 57 0 0 2 5 0 0 2 0 44 0 0 1.447 48 0.36
10 10 A 9 0 16 0 16 9 0 0 0 0 0 2 0 0 2 45 0 0 0 0 44 0 0 1.551 51 0.15
11 11 A 0 0 0 14 0 0 2 0 0 0 23 2 0 0 5 41 14 0 0 0 44 0 0 1.558 52 0.25
12 12 A 2 7 2 0 0 0 0 0 0 0 0 2 0 0 2 11 39 27 0 7 44 0 0 1.679 56 0.37
13 13 A 0 2 0 0 0 0 2 5 0 0 5 0 0 0 0 2 0 2 0 82 44 0 0 0.789 26 0.68
14 14 A 0 0 0 0 0 0 0 0 0 0 0 0 100 0 0 0 0 0 0 0 44 0 0 0.000 0 1.00
15 15 A 0 0 0 0 0 0 0 0 0 0 0 0 0 0 2 0 0 0 98 0 44 0 0 0.108 3 0.95
16 16 A 0 0 0 5 0 2 0 0 0 0 2 68 0 2 16 2 0 0 0 2 44 0 0 1.124 37 0.42
17 17 A 0 0 0 0 0 0 0 0 0 0 0 0 100 0 0 0 0 0 0 0 44 0 0 0.000 0 1.00
18 18 A 27 0 2 2 16 0 0 0 0 0 5 14 0 0 18 11 0 0 5 0 44 0 0 1.929 64 0.08
19 19 A 0 0 0 0 0 0 0 0 0 0 0 0 100 0 0 0 0 0 0 0 44 0 0 0.000 0 1.00
20 20 A 0 2 0 0 0 0 0 5 20 2 16 25 0 0 25 0 2 0 2 0 44 0 0 1.795 59 0.17
21 21 A 0 0 0 2 0 0 0 0 14 20 5 5 0 23 0 7 0 5 14 7 44 0 0 2.078 69 0.19
22 22 A 0 0 0 0 0 0 0 34 2 0 5 20 0 0 5 2 0 0 18 14 44 0 0 1.726 57 0.34
23 23 A 0 5 0 0 0 0 0 66 0 0 23 0 0 0 0 2 0 0 5 0 44 15 12 0.979 32 0.55
24 24 A 21 7 14 3 0 0 0 24 14 0 0 3 0 3 0 0 7 3 0 0 29 0 0 2.049 68 0.18
25 25 A 0 0 2 0 2 75 0 0 11 2 2 0 0 0 2 2 0 0 0 0 44 0 0 0.979 32 0.45
26 26 A 5 0 9 0 14 0 0 18 20 0 2 5 0 0 0 0 0 23 5 0 44 0 0 1.968 65 0.12
27 27 A 0 0 0 0 0 0 0 0 0 0 0 0 100 0 0 0 0 0 0 0 44 0 0 0.000 0 1.00
28 28 A 0 0 0 0 0 0 0 0 0 2 2 95 0 0 0 0 0 0 0 0 44 0 0 0.216 7 0.91
29 29 A 2 23 0 0 0 0 0 0 2 0 0 0 0 0 41 2 2 0 23 5 44 0 0 1.524 50 0.14
30 30 A 0 2 2 16 0 0 0 0 0 0 0 0 0 2 2 52 0 23 0 0 44 0 0 1.312 43 0.35
31 31 A 5 7 0 5 0 0 2 41 27 0 2 2 0 2 0 0 5 2 0 0 44 0 0 1.755 58 0.29
32 32 A 0 0 0 0 0 0 0 0 0 0 0 0 100 0 0 0 0 0 0 0 44 0 0 0.000 0 1.00
33 33 A 3 0 0 0 0 0 0 0 0 78 0 0 0 3 11 0 3 0 0 3 37 0 0 0.822 27 0.66
34 34 A 0 0 0 0 0 0 0 33 3 53 0 0 0 0 0 3 3 0 3 0 30 0 0 1.155 38 0.41
35 35 A 0 0 0 0 0 0 0 0 0 0 0 0 0 13 21 8 4 46 8 0 24 0 0 1.491 49 0.29
## INSERTION LIST
AliNo IPOS JPOS Len Sequence
13 23 86 1 gIg
18 23 119 1 gIg
19 23 118 1 gIg
23 24 192 1 gGh
30 24 40 1 gSa
31 23 78 1 gIg
32 23 124 1 gIg
33 23 115 1 gIg
38 24 192 3 gHKSa
40 21 40 1 gKt
41 24 211 1 gSe
43 24 24 2 gKSa
//