==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=17-JUN-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE/HYDROLASE INHIBITOR 12-OCT-06 2IPH . COMPND 2 MOLECULE: THIOL PROTEASE P3C; . SOURCE 2 ORGANISM_SCIENTIFIC: SOUTHAMPTON VIRUS (SEROTYPE 3); . AUTHOR R.J.HUSSEY . 357 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 16218.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 253 70.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 8 2.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 138 38.7 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 4 1.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 12 3.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-1), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+0), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+1), SAME NUMBER PER 100 RESIDUES . 52 14.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 38 10.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 7 2.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+5), SAME NUMBER PER 100 RESIDUES . 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 *** HISTOGRAMS OF *** . 0 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 PARALLEL BRIDGES PER LADDER . 2 4 2 4 4 4 2 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 2 0 0 0 2 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 LADDERS PER SHEET . # RESIDUE AA STRUCTURE BP1 BP2 ACC N-H-->O O-->H-N N-H-->O O-->H-N TCO KAPPA ALPHA PHI PSI X-CA Y-CA Z-CA 1 1001 A A 0 0 15 0, 0.0 5,-0.1 0, 0.0 270,-0.1 0.000 360.0 360.0 360.0 147.7 27.2 -28.0 8.8 2 1002 A P >> - 0 0 47 0, 0.0 4,-2.0 0, 0.0 3,-0.9 -0.210 360.0-122.4 -58.9 143.7 27.6 -29.4 5.2 3 1003 A P H 3> S+ 0 0 109 0, 0.0 4,-2.3 0, 0.0 5,-0.1 0.865 113.4 55.0 -54.8 -39.0 30.5 -28.3 3.1 4 1004 A T H 34 S+ 0 0 92 2,-0.2 4,-0.4 1,-0.2 64,-0.0 0.816 105.5 53.0 -67.5 -27.2 28.2 -27.0 0.4 5 1005 A L H X4 S+ 0 0 6 -3,-0.9 3,-1.2 1,-0.2 4,-0.4 0.931 110.7 46.0 -71.7 -44.5 26.5 -24.9 3.0 6 1006 A W H >< S+ 0 0 12 -4,-2.0 3,-1.7 1,-0.2 -2,-0.2 0.867 103.2 64.7 -63.9 -35.4 29.8 -23.4 4.1 7 1007 A S T 3< S+ 0 0 39 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.677 93.3 63.1 -63.1 -16.0 30.7 -22.9 0.4 8 1008 A R T < S+ 0 0 10 -3,-1.2 11,-1.7 -4,-0.4 2,-0.6 0.716 80.0 93.8 -79.6 -22.0 27.9 -20.4 0.2 9 1009 A V E < -A 18 0A 3 -3,-1.7 2,-0.4 -4,-0.4 9,-0.2 -0.641 64.6-172.1 -76.4 117.0 29.5 -18.1 2.7 10 1010 A T E -A 17 0A 29 7,-2.8 7,-2.0 -2,-0.6 2,-0.1 -0.918 30.0-115.0-122.2 136.1 31.5 -15.6 0.6 11 1011 A K E +A 16 0A 127 -2,-0.4 2,-0.3 5,-0.2 5,-0.3 -0.460 46.4 170.9 -63.6 132.0 34.0 -12.8 1.4 12 1012 A F E > -A 15 0A 13 3,-2.5 3,-2.7 -2,-0.1 -2,-0.0 -0.934 47.8 -48.0-152.3 123.1 32.3 -9.6 0.3 13 1013 A G T 3 S- 0 0 39 -2,-0.3 19,-0.2 1,-0.3 18,-0.1 -0.277 121.7 -18.9 53.4-131.0 33.3 -6.0 0.9 14 1014 A S T 3 S+ 0 0 76 17,-1.6 -1,-0.3 16,-0.1 125,-0.2 0.244 140.7 6.4 -91.3 13.5 34.3 -5.5 4.5 15 1015 A G E < S-A 12 0A 1 -3,-2.7 -3,-2.5 16,-0.3 2,-0.3 -0.403 92.9 -62.7-153.3-128.6 32.4 -8.6 5.6 16 1016 A W E -A 11 0A 21 123,-2.4 12,-0.6 -5,-0.3 2,-0.3 -0.864 26.7-162.7-138.8 169.7 30.6 -11.6 4.1 17 1017 A G E -AB 10 27A 0 -7,-2.0 -7,-2.8 -2,-0.3 2,-0.4 -0.886 16.8-129.1-144.9 173.4 27.6 -12.5 2.0 18 1018 A F E -AB 9 26A 0 8,-2.7 8,-2.5 -2,-0.3 2,-0.8 -0.991 9.5-134.6-138.3 129.6 25.6 -15.7 1.4 19 1019 A W E + B 0 25A 5 -11,-1.7 6,-0.2 -2,-0.4 -11,-0.1 -0.721 20.8 178.6 -83.1 110.1 24.5 -17.5 -1.8 20 1020 A V S S- 0 0 9 4,-2.3 51,-2.6 -2,-0.8 -1,-0.2 0.805 73.3 -16.3 -77.3 -32.7 20.8 -18.5 -1.2 21 1021 A S S S- 0 0 17 3,-1.4 3,-0.5 49,-0.2 -1,-0.2 -0.901 88.7 -75.4-157.1 179.2 20.7 -19.9 -4.8 22 1022 A P S S+ 0 0 14 0, 0.0 42,-2.7 0, 0.0 43,-1.5 0.733 132.8 28.2 -58.5 -20.8 22.7 -19.8 -8.0 23 1023 A T S S+ 0 0 32 40,-0.2 37,-2.8 41,-0.2 2,-0.5 0.432 107.2 77.8-120.7 -2.5 21.3 -16.3 -8.6 24 1024 A V E + C 0 59A 7 -3,-0.5 -4,-2.3 35,-0.2 -3,-1.4 -0.953 47.9 176.2-120.8 124.1 20.5 -14.8 -5.2 25 1025 A F E -BC 19 58A 0 33,-2.4 33,-3.1 -2,-0.5 2,-0.3 -0.978 8.4-167.2-124.4 131.3 23.2 -13.3 -2.9 26 1026 A I E +BC 18 57A 0 -8,-2.5 -8,-2.7 -2,-0.4 2,-0.3 -0.891 14.9 153.0-120.5 151.5 22.3 -11.7 0.5 27 1027 A T E -BC 17 56A 0 29,-2.3 29,-2.4 -2,-0.3 2,-0.5 -0.946 48.8 -80.5-159.8 177.2 24.4 -9.6 2.8 28 1028 A T E >> - C 0 55A 2 -12,-0.6 3,-1.5 -2,-0.3 4,-0.5 -0.807 39.5-131.6 -90.7 127.8 24.4 -6.9 5.4 29 1029 A T G >4 S+ 0 0 21 25,-1.8 3,-1.3 -2,-0.5 -1,-0.1 0.829 100.3 64.8 -47.4 -41.5 24.1 -3.4 3.8 30 1030 A H G 34 S+ 0 0 110 24,-0.2 -1,-0.3 1,-0.2 -16,-0.1 0.803 99.9 50.8 -55.7 -33.9 26.9 -1.9 5.8 31 1031 A V G <4 S+ 0 0 4 -3,-1.5 -17,-1.6 -15,-0.1 -16,-0.3 0.587 78.0 122.5 -84.8 -9.2 29.6 -4.2 4.3 32 1032 A I S << S- 0 0 26 -3,-1.3 -19,-0.0 -4,-0.5 -20,-0.0 -0.299 73.0-104.3 -58.4 129.1 28.7 -3.6 0.6 33 1033 A P > - 0 0 44 0, 0.0 3,-0.7 0, 0.0 2,-0.2 -0.245 35.6-124.6 -54.8 134.5 31.7 -2.2 -1.4 34 1034 A T T 3 S+ 0 0 127 1,-0.2 -21,-0.0 -3,-0.1 -3,-0.0 -0.564 86.5 10.1 -83.7 147.1 31.4 1.5 -2.1 35 1035 A S T 3 S+ 0 0 107 -2,-0.2 2,-0.2 1,-0.2 -1,-0.2 0.752 84.8 165.9 58.8 27.4 31.6 2.8 -5.7 36 1036 A A < - 0 0 20 -3,-0.7 -1,-0.2 1,-0.1 3,-0.1 -0.550 27.1-167.1 -76.0 138.2 31.4 -0.7 -7.1 37 1037 A K S S+ 0 0 173 1,-0.3 7,-1.9 -2,-0.2 2,-0.3 0.623 72.5 3.2 -96.7 -18.6 30.7 -0.9 -10.8 38 1038 A E E -F 43 0B 88 5,-0.3 2,-0.4 6,-0.1 -1,-0.3 -0.979 59.7-139.5-159.7 164.0 29.9 -4.6 -10.8 39 1039 A F E > S-F 42 0B 10 3,-2.2 3,-1.9 -2,-0.3 -3,-0.0 -0.992 86.5 -9.4-135.3 124.6 29.5 -7.6 -8.5 40 1040 A F T 3 S- 0 0 70 -2,-0.4 -1,-0.1 1,-0.3 0, 0.0 0.828 131.8 -53.2 58.4 33.8 30.8 -11.1 -9.5 41 1041 A G T 3 S+ 0 0 55 1,-0.2 -1,-0.3 0, 0.0 0, 0.0 0.361 113.3 119.0 85.8 -6.1 31.5 -9.8 -13.0 42 1042 A E E < -F 39 0B 22 -3,-1.9 -3,-2.2 2,-0.0 -1,-0.2 -0.822 64.4-125.7 -98.2 125.6 27.9 -8.5 -13.5 43 1043 A P E > -F 38 0B 60 0, 0.0 3,-2.6 0, 0.0 -5,-0.3 -0.341 26.7-112.0 -65.4 149.7 27.5 -4.8 -14.1 44 1044 A L G > S+ 0 0 63 -7,-1.9 3,-2.1 1,-0.3 -6,-0.1 0.832 115.4 65.4 -49.4 -37.9 25.1 -3.0 -11.7 45 1045 A T G 3 S+ 0 0 133 1,-0.3 -1,-0.3 3,-0.1 -7,-0.1 0.650 101.2 50.9 -62.9 -14.1 22.6 -2.5 -14.6 46 1046 A S G < S+ 0 0 45 -3,-2.6 15,-0.6 2,-0.0 2,-0.4 0.292 96.8 84.9-105.2 8.5 22.2 -6.3 -14.8 47 1047 A I E < -D 60 0A 16 -3,-2.1 2,-0.8 -4,-0.2 13,-0.2 -0.923 68.5-141.7-116.2 136.4 21.5 -6.8 -11.0 48 1048 A A E -D 59 0A 58 11,-2.6 11,-2.2 -2,-0.4 2,-0.4 -0.860 25.8-159.4 -95.5 110.3 18.1 -6.5 -9.3 49 1049 A I E -D 58 0A 18 -2,-0.8 2,-0.5 129,-0.5 9,-0.2 -0.781 15.4-174.5 -95.8 132.6 19.0 -4.9 -5.9 50 1050 A H E -D 57 0A 45 7,-2.6 7,-2.4 -2,-0.4 2,-0.8 -0.870 8.3-179.6-126.8 94.5 16.6 -5.1 -3.0 51 1051 A R E +DE 56 177A 62 126,-3.1 126,-3.5 -2,-0.5 2,-0.7 -0.851 6.0 173.5-101.6 105.3 17.9 -3.0 -0.1 52 1052 A A E > -D 55 0A 11 3,-2.9 3,-1.9 -2,-0.8 2,-0.3 -0.818 62.1 -71.5-112.1 88.8 15.7 -3.1 2.9 53 1053 A G T 3 S- 0 0 39 -2,-0.7 61,-0.1 1,-0.3 119,-0.0 -0.469 116.8 -7.3 66.0-122.0 17.5 -1.3 5.7 54 1054 A E T 3 S+ 0 0 15 -2,-0.3 -25,-1.8 59,-0.2 2,-0.5 0.363 124.2 81.5 -88.9 5.0 20.5 -3.3 6.8 55 1055 A F E < -CD 28 52A 0 -3,-1.9 -3,-2.9 -27,-0.2 2,-0.4 -0.949 58.5-178.5-113.0 126.6 19.5 -6.3 4.7 56 1056 A T E -CD 27 51A 0 -29,-2.4 -29,-2.3 -2,-0.5 2,-0.4 -0.989 8.8-166.2-129.4 134.7 20.3 -6.4 1.0 57 1057 A L E -CD 26 50A 11 -7,-2.4 -7,-2.6 -2,-0.4 2,-0.5 -0.952 4.3-160.6-118.2 135.6 19.5 -9.0 -1.6 58 1058 A F E -CD 25 49A 0 -33,-3.1 -33,-2.4 -2,-0.4 2,-0.5 -0.971 3.7-166.7-115.2 127.5 21.1 -9.2 -5.0 59 1059 A R E -CD 24 48A 128 -11,-2.2 -11,-2.6 -2,-0.5 -35,-0.2 -0.968 9.0-158.1-117.5 122.0 19.4 -11.1 -7.8 60 1060 A F E - D 0 47A 8 -37,-2.8 -13,-0.1 -2,-0.5 4,-0.1 -0.591 19.6-133.3 -95.7 157.7 21.5 -11.9 -10.9 61 1061 A S S S+ 0 0 93 -15,-0.6 2,-0.3 -2,-0.2 -14,-0.1 0.225 90.2 40.3 -96.2 14.5 20.2 -12.7 -14.4 62 1062 A K S S- 0 0 125 -40,-0.1 2,-0.5 -39,-0.1 -2,-0.1 -0.963 101.3 -87.7-151.8 153.9 22.5 -15.6 -15.0 63 1063 A K + 0 0 141 -2,-0.3 -40,-0.2 1,-0.2 -2,-0.1 -0.552 40.0 174.7 -71.0 116.1 23.6 -18.4 -12.6 64 1064 A I S S+ 0 0 37 -42,-2.7 -1,-0.2 -2,-0.5 -41,-0.2 0.781 84.9 29.1 -88.3 -33.4 26.7 -17.2 -10.8 65 1065 A R > + 0 0 46 -43,-1.5 3,-2.1 1,-0.1 -1,-0.2 -0.579 69.8 164.7-126.2 67.2 26.9 -20.3 -8.6 66 1066 A P T 3 + 0 0 90 0, 0.0 -1,-0.1 0, 0.0 -43,-0.1 0.627 68.7 72.2 -60.2 -13.7 25.3 -23.1 -10.7 67 1067 A D T 3 S+ 0 0 104 -3,-0.1 2,-0.2 -45,-0.1 -2,-0.0 0.658 88.3 83.9 -75.7 -15.8 26.7 -25.7 -8.4 68 1068 A L < - 0 0 14 -3,-2.1 2,-0.2 1,-0.0 -3,-0.1 -0.553 68.6-140.3 -93.9 155.0 24.2 -24.8 -5.8 69 1069 A T - 0 0 105 -2,-0.2 2,-0.4 -48,-0.1 -2,-0.0 -0.600 40.2 -92.5 -99.0 165.1 20.5 -25.7 -5.1 70 1070 A G - 0 0 60 -2,-0.2 -49,-0.2 -49,-0.1 2,-0.2 -0.671 41.6-157.2 -84.8 135.5 18.1 -23.1 -4.0 71 1071 A M - 0 0 29 -51,-2.6 2,-0.5 -2,-0.4 81,-0.1 -0.636 24.5 -97.9-105.4 167.0 17.6 -22.7 -0.2 72 1072 A I E -g 152 0C 60 79,-1.0 81,-2.7 -2,-0.2 2,-0.5 -0.731 33.8-167.8 -87.5 126.7 14.7 -21.2 1.8 73 1073 A L E +g 153 0C 35 -2,-0.5 2,-0.3 79,-0.2 81,-0.2 -0.972 12.1 178.4-114.2 125.7 15.2 -17.6 2.9 74 1074 A E - 0 0 64 79,-2.2 2,-1.7 -2,-0.5 98,-0.4 -0.864 40.4-102.0-126.9 162.1 12.7 -16.4 5.5 75 1075 A E S S- 0 0 100 -2,-0.3 80,-0.1 96,-0.1 79,-0.1 -0.603 85.5 -53.2 -83.7 81.0 12.2 -13.1 7.4 76 1076 A G S S- 0 0 3 -2,-1.7 79,-0.1 78,-1.1 27,-0.0 -0.293 71.9 -97.5 79.8-170.9 13.7 -14.1 10.7 77 1077 A C - 0 0 12 25,-0.2 27,-0.1 4,-0.1 3,-0.1 -0.881 44.1 -68.9-141.1 171.1 12.6 -17.2 12.6 78 1078 A P > - 0 0 84 0, 0.0 3,-2.2 0, 0.0 23,-0.2 -0.356 61.6 -97.8 -63.3 141.5 10.3 -18.1 15.5 79 1079 A E T 3 S+ 0 0 145 1,-0.3 23,-0.2 21,-0.1 24,-0.1 -0.371 113.7 35.0 -58.9 136.5 11.4 -16.8 18.8 80 1080 A G T 3 S+ 0 0 42 21,-2.9 -1,-0.3 1,-0.4 22,-0.1 0.224 82.5 138.7 102.0 -14.3 13.2 -19.6 20.6 81 1081 A T < - 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