==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE/HYDROLASE INHIBITOR 12-DEC-96 1CP3 . COMPND 2 MOLECULE: APOPAIN; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR P.R.E.MITTL,S.DIMARCO,M.G.GRUETTER . 472 6 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 17925.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 348 73.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 66 14.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 51 10.8 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, 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 . 2 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 5 1.1 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 . 47 10.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 47 10.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 108 22.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 0.6 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 0 2 0 0 0 0 0 0 2 2 2 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 5 0 0 0 3 4 0 1 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 . 4 6 1 3 1 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 ANTIPARALLEL BRIDGES PER LADDER . 0 4 0 0 0 0 0 0 0 0 1 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 35 A N 0 0 107 0, 0.0 227,-3.3 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 -48.3 -6.2 -2.8 22.0 2 36 A S B -a 228 0A 45 225,-0.2 227,-0.2 227,-0.0 2,-0.1 -0.965 360.0-111.3-127.4 144.0 -4.8 -4.0 25.3 3 37 A Y - 0 0 13 225,-2.3 2,-0.7 -2,-0.4 227,-0.2 -0.468 40.2-105.6 -69.8 145.2 -2.1 -6.5 26.1 4 38 A K + 0 0 106 1,-0.1 3,-0.2 -2,-0.1 -1,-0.1 -0.617 46.2 171.2 -72.9 111.9 -3.4 -9.7 27.8 5 39 A M + 0 0 10 -2,-0.7 -1,-0.1 1,-0.2 73,-0.1 -0.054 52.7 89.2-115.7 32.4 -2.2 -9.2 31.3 6 40 A D + 0 0 96 72,-0.1 -1,-0.2 71,-0.1 4,-0.1 0.135 50.0 127.3-117.6 19.6 -4.0 -12.1 32.8 7 41 A Y S S- 0 0 77 -3,-0.2 71,-0.2 2,-0.2 69,-0.1 -0.284 82.1 -91.3 -67.4 166.0 -1.5 -14.8 32.4 8 42 A P S S+ 0 0 105 0, 0.0 2,-0.4 0, 0.0 69,-0.2 0.800 112.2 32.0 -48.1 -34.8 -0.7 -16.8 35.6 9 43 A E E -b 77 0B 71 67,-2.2 69,-2.7 1,-0.1 -2,-0.2 -0.969 68.6-139.8-129.3 146.2 2.2 -14.4 36.4 10 44 A M E - 0 0 12 38,-0.7 69,-1.7 -2,-0.4 2,-0.2 0.847 61.4-119.0 -69.1 -32.4 2.7 -10.7 35.7 11 45 A G E -b 79 0B 2 37,-0.4 39,-2.7 67,-0.2 2,-0.3 -0.697 35.1 -40.9 124.9-177.6 6.3 -11.5 34.9 12 46 A L E -bc 80 50B 0 67,-0.7 69,-2.7 -2,-0.2 2,-0.5 -0.628 34.4-164.2 -88.2 142.9 9.9 -10.8 36.0 13 47 A C E -bc 81 51B 0 37,-2.2 39,-2.0 -2,-0.3 2,-0.5 -0.944 11.8-167.0-128.8 103.3 11.2 -7.4 37.0 14 48 A I E -bc 82 52B 2 67,-2.6 69,-2.7 -2,-0.5 2,-0.5 -0.857 0.6-165.6 -95.2 123.8 15.0 -7.5 36.9 15 49 A I E -bc 83 53B 0 37,-2.6 39,-2.6 -2,-0.5 2,-0.8 -0.968 3.0-164.7-114.6 114.5 16.7 -4.5 38.7 16 50 A I E -bc 84 54B 2 67,-2.8 69,-3.2 -2,-0.5 2,-0.7 -0.897 10.6-172.9-100.0 107.3 20.4 -4.0 37.9 17 51 A N E -bc 85 55B 2 37,-3.4 39,-2.5 -2,-0.8 2,-0.7 -0.874 4.8-174.5-109.0 105.3 21.8 -1.6 40.5 18 52 A N + 0 0 0 67,-2.8 3,-0.1 -2,-0.7 76,-0.1 -0.890 19.7 150.8-105.0 114.8 25.4 -0.5 40.0 19 53 A K + 0 0 53 -2,-0.7 11,-2.6 1,-0.2 2,-0.5 0.801 57.5 48.8-106.5 -44.0 26.8 1.6 42.8 20 54 A N - 0 0 79 9,-0.2 2,-0.3 10,-0.1 -1,-0.2 -0.893 64.4-163.9-112.4 131.6 30.6 1.1 42.9 21 55 A F - 0 0 26 -2,-0.5 76,-0.2 6,-0.4 75,-0.1 -0.746 29.6 -94.5-118.1 151.9 33.0 1.2 40.0 22 56 A H >>> - 0 0 114 74,-2.3 3,-2.1 -2,-0.3 4,-0.6 -0.292 37.4-121.3 -58.8 138.1 36.6 0.1 39.3 23 57 A K G >45S+ 0 0 209 1,-0.3 3,-0.5 2,-0.2 -1,-0.1 0.726 110.0 66.9 -53.7 -27.5 39.0 2.9 39.9 24 58 A S G 345S+ 0 0 89 1,-0.2 -1,-0.3 2,-0.1 73,-0.1 0.794 93.5 58.6 -66.4 -27.3 40.1 2.6 36.3 25 59 A T G <45S- 0 0 30 -3,-2.1 -1,-0.2 71,-0.2 -2,-0.2 0.763 95.8-138.6 -75.2 -24.7 36.7 3.8 35.0 26 60 A G T <<5 + 0 0 60 -4,-0.6 2,-0.5 -3,-0.5 -3,-0.1 0.639 52.1 147.0 73.4 16.3 37.0 7.2 36.9 27 61 A M < - 0 0 61 -5,-0.6 -6,-0.4 60,-0.0 -1,-0.3 -0.726 45.7-130.7 -92.9 125.5 33.3 6.7 37.8 28 62 A T - 0 0 94 -2,-0.5 -1,-0.0 1,-0.1 -5,-0.0 -0.453 35.4 -90.4 -73.4 145.2 32.2 8.1 41.2 29 63 A S - 0 0 53 -2,-0.1 2,-1.2 1,-0.1 -9,-0.2 -0.193 39.0-121.4 -52.5 142.2 30.2 5.9 43.5 30 64 A R > - 0 0 0 -11,-2.6 3,-2.0 -3,-0.1 4,-0.2 -0.514 31.9-167.7 -94.8 70.7 26.4 6.3 42.9 31 65 A S T 3 S+ 0 0 52 -2,-1.2 137,-0.2 1,-0.2 205,-0.1 -0.281 73.0 29.1 -57.2 131.3 25.1 7.5 46.4 32 66 A G T >> S+ 0 0 8 134,-0.1 4,-1.3 135,-0.1 3,-1.1 0.136 85.5 109.0 103.7 -19.4 21.3 7.4 46.6 33 67 A T H <> S+ 0 0 0 -3,-2.0 4,-2.8 1,-0.3 5,-0.1 0.756 71.7 63.2 -62.2 -22.7 21.0 4.5 44.1 34 68 A D H 3> S+ 0 0 75 -4,-0.2 4,-1.9 2,-0.2 -1,-0.3 0.824 98.0 52.9 -71.9 -31.6 20.0 2.2 47.0 35 69 A V H <> S+ 0 0 68 -3,-1.1 4,-2.4 2,-0.2 5,-0.2 0.906 111.5 48.5 -68.0 -41.4 16.9 4.2 47.7 36 70 A D H X S+ 0 0 1 -4,-1.3 4,-2.6 2,-0.2 5,-0.3 0.975 109.0 51.0 -63.4 -55.8 16.0 3.7 44.0 37 71 A A H X S+ 0 0 7 -4,-2.8 4,-1.5 1,-0.2 -1,-0.2 0.879 115.7 44.4 -49.2 -41.2 16.7 -0.0 44.1 38 72 A A H X S+ 0 0 59 -4,-1.9 4,-1.6 2,-0.2 -1,-0.2 0.838 111.5 49.1 -69.9 -48.0 14.5 -0.3 47.1 39 73 A N H X S+ 0 0 39 -4,-2.4 4,-2.6 2,-0.2 5,-0.2 0.924 112.5 49.9 -59.3 -47.5 11.6 1.8 46.0 40 74 A L H X S+ 0 0 0 -4,-2.6 4,-2.6 -5,-0.2 5,-0.2 0.896 108.7 52.5 -58.3 -45.0 11.5 -0.0 42.6 41 75 A R H X S+ 0 0 121 -4,-1.5 4,-0.7 -5,-0.3 -1,-0.2 0.865 114.2 41.2 -60.5 -39.7 11.5 -3.4 44.4 42 76 A E H X S+ 0 0 86 -4,-1.6 4,-2.1 2,-0.2 -2,-0.2 0.885 114.0 53.7 -76.8 -41.3 8.5 -2.6 46.6 43 77 A T H X S+ 0 0 5 -4,-2.6 4,-0.8 1,-0.2 -2,-0.2 0.965 114.2 40.0 -58.2 -51.3 6.7 -0.8 43.8 44 78 A F H <>S+ 0 0 0 -4,-2.6 5,-3.0 1,-0.2 -1,-0.2 0.642 109.7 60.1 -77.5 -11.5 6.9 -3.7 41.4 45 79 A R H ><5S+ 0 0 133 -4,-0.7 3,-1.8 3,-0.2 -1,-0.2 0.909 103.9 50.7 -78.3 -40.8 6.2 -6.2 44.2 46 80 A N H 3<5S+ 0 0 79 -4,-2.1 -2,-0.2 1,-0.3 -1,-0.2 0.745 107.6 53.8 -64.3 -27.3 2.8 -4.5 44.8 47 81 A L T 3<5S- 0 0 25 -4,-0.8 -1,-0.3 -5,-0.2 -2,-0.2 0.428 122.6-112.3 -84.3 -2.5 2.2 -4.9 41.1 48 82 A K T < 5 + 0 0 150 -3,-1.8 -38,-0.7 1,-0.2 -37,-0.4 0.720 63.8 149.5 78.3 29.3 2.9 -8.6 41.5 49 83 A Y < - 0 0 10 -5,-3.0 2,-1.0 -39,-0.2 -1,-0.2 -0.563 55.6-117.9 -88.2 150.1 6.1 -8.9 39.6 50 84 A E E -c 12 0B 83 -39,-2.7 -37,-2.2 -2,-0.2 2,-0.3 -0.873 42.8-152.2 -86.5 103.7 8.6 -11.5 40.6 51 85 A V E -c 13 0B 26 -2,-1.0 2,-0.4 -39,-0.2 -37,-0.2 -0.633 20.8-178.3 -87.1 139.1 11.5 -9.1 41.5 52 86 A R E -c 14 0B 74 -39,-2.0 -37,-2.6 -2,-0.3 2,-0.4 -0.958 10.1-159.7-137.3 113.0 15.2 -9.9 41.4 53 87 A N E -c 15 0B 41 -2,-0.4 2,-0.4 -39,-0.2 -37,-0.2 -0.780 7.1-173.2 -94.7 136.8 17.8 -7.3 42.5 54 88 A K E -c 16 0B 93 -39,-2.6 -37,-3.4 -2,-0.4 2,-0.4 -0.998 9.4-156.5-130.5 133.8 21.4 -7.6 41.2 55 89 A N E -c 17 0B 89 -2,-0.4 -37,-0.2 1,-0.2 -39,-0.0 -0.927 60.2 -5.3-118.5 141.2 24.1 -5.3 42.6 56 90 A D S S- 0 0 55 -39,-2.5 2,-0.4 -2,-0.4 -1,-0.2 0.947 75.0-179.0 45.4 76.5 27.4 -4.2 41.2 57 91 A L - 0 0 14 -3,-0.2 39,-3.2 2,-0.0 -1,-0.2 -0.826 24.5-124.0-105.0 141.6 27.6 -6.3 38.0 58 92 A T > - 0 0 31 -2,-0.4 4,-1.7 37,-0.3 3,-0.4 -0.390 35.0-102.8 -74.3 162.4 30.5 -6.3 35.5 59 93 A R H > S+ 0 0 103 1,-0.3 4,-1.4 2,-0.2 -1,-0.1 0.857 126.6 47.1 -57.3 -31.0 29.8 -5.6 31.9 60 94 A E H > S+ 0 0 101 1,-0.2 4,-2.2 2,-0.2 -1,-0.3 0.786 107.2 54.8 -83.0 -23.9 30.1 -9.3 31.3 61 95 A E H > S+ 0 0 97 -3,-0.4 4,-1.2 2,-0.2 -2,-0.2 0.761 106.6 52.7 -77.4 -25.6 27.9 -10.3 34.2 62 96 A I H X S+ 0 0 0 -4,-1.7 4,-3.0 2,-0.2 5,-0.2 0.919 111.7 45.4 -70.6 -46.6 25.1 -8.1 32.9 63 97 A V H X S+ 0 0 12 -4,-1.4 4,-2.4 1,-0.2 -2,-0.2 0.925 113.1 47.8 -64.8 -47.2 25.3 -9.8 29.5 64 98 A E H X S+ 0 0 85 -4,-2.2 4,-2.0 2,-0.2 -1,-0.2 0.867 113.7 50.3 -62.7 -32.5 25.5 -13.3 30.8 65 99 A L H X S+ 0 0 32 -4,-1.2 4,-2.6 2,-0.2 5,-0.2 0.955 111.0 46.7 -67.7 -52.9 22.5 -12.4 33.1 66 100 A M H X S+ 0 0 0 -4,-3.0 4,-2.2 1,-0.2 -2,-0.2 0.884 112.7 52.0 -58.0 -38.7 20.4 -11.0 30.2 67 101 A R H X S+ 0 0 80 -4,-2.4 4,-0.8 -5,-0.2 -1,-0.2 0.902 111.4 44.3 -67.0 -41.1 21.2 -14.1 28.2 68 102 A D H < S+ 0 0 79 -4,-2.0 3,-0.5 2,-0.2 4,-0.3 0.909 113.3 51.9 -69.6 -38.6 20.2 -16.6 30.8 69 103 A V H >< S+ 0 0 4 -4,-2.6 3,-1.5 1,-0.2 -2,-0.2 0.889 106.8 52.9 -62.8 -42.2 17.0 -14.6 31.6 70 104 A S H 3< S+ 0 0 16 -4,-2.2 -1,-0.2 1,-0.3 46,-0.2 0.720 105.3 56.8 -68.9 -16.3 16.1 -14.6 27.8 71 105 A K T 3< S+ 0 0 150 -4,-0.8 -1,-0.3 -3,-0.5 -2,-0.2 0.509 86.0 104.7 -90.4 -8.3 16.5 -18.4 27.9 72 106 A E S < S- 0 0 47 -3,-1.5 2,-0.7 -4,-0.3 44,-0.2 -0.432 85.2-107.9 -69.9 154.1 13.9 -18.6 30.6 73 107 A D - 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N 0 99C 16 -7,-2.7 -7,-0.2 -2,-0.4 2,-0.2 -0.652 17.2-155.4 -87.7 130.1 28.3 1.0 32.5 95 129 A G E > - N 0 98C 0 3,-3.6 3,-1.3 -2,-0.4 -37,-0.3 -0.488 47.5 -91.5 -81.3 175.4 29.0 -2.3 34.0 96 130 A T T 3 S+ 0 0 26 -39,-3.2 -74,-2.3 1,-0.3 -38,-0.2 0.852 127.4 32.5 -60.7 -29.1 31.1 -2.2 37.2 97 131 A N T 3 S- 0 0 44 1,-0.3 -1,-0.3 -76,-0.2 -39,-0.1 0.212 129.5 -29.3-113.6 8.7 34.3 -2.6 35.1 98 132 A G E < S-N 95 0C 3 -3,-1.3 -3,-3.6 2,-0.0 -1,-0.3 -0.840 78.0 -47.1 158.3 168.4 33.4 -0.8 31.9 99 133 A P E -N 94 0C 60 0, 0.0 2,-0.4 0, 0.0 -5,-0.2 -0.232 39.1-161.7 -67.2 145.1 30.8 0.3 29.2 100 134 A V E -N 93 0C 8 -7,-2.3 -7,-2.3 -5,-0.0 2,-0.2 -1.000 23.2-119.8-128.3 131.2 28.1 -2.1 27.8 101 135 A D E >> -N 92 0C 93 -2,-0.4 3,-0.8 -9,-0.2 4,-0.7 -0.488 14.7-143.0 -70.1 132.9 26.3 -1.4 24.5 102 136 A L H >> S+ 0 0 16 -11,-3.1 4,-2.0 1,-0.2 3,-0.6 0.841 100.0 61.9 -66.0 -30.8 22.5 -1.1 25.2 103 137 A K H 3> S+ 0 0 76 -12,-0.5 4,-1.1 1,-0.2 -1,-0.2 0.745 97.9 58.2 -67.2 -22.7 21.8 -2.9 21.9 104 138 A K H <4 S+ 0 0 101 -3,-0.8 -1,-0.2 2,-0.1 4,-0.2 0.791 109.5 42.8 -75.0 -31.9 23.7 -5.9 23.2 105 139 A I H X< S+ 0 0 0 -4,-0.7 3,-1.1 -3,-0.6 4,-0.3 0.919 115.2 45.0 -78.2 -53.5 21.3 -6.3 26.2 106 140 A T H >< S+ 0 0 3 -4,-2.0 3,-2.4 1,-0.2 -2,-0.1 0.843 98.3 74.5 -62.5 -34.9 17.9 -5.7 24.6 107 141 A N G >< S+ 0 0 36 -4,-1.1 3,-1.1 1,-0.3 -1,-0.2 0.705 84.0 65.4 -53.7 -26.7 18.8 -7.9 21.5 108 142 A F G < S+ 0 0 36 -3,-1.1 -1,-0.3 1,-0.2 -2,-0.2 0.757 99.8 53.9 -68.1 -21.4 18.3 -11.1 23.6 109 143 A F G < S+ 0 0 0 -3,-2.4 -1,-0.2 -4,-0.3 -2,-0.2 0.279 79.1 134.2 -97.8 11.5 14.6 -10.2 24.0 110 144 A R X> - 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