==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=22-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER THIOL PROTEASE 13-FEB-97 3PBH . COMPND 2 MOLECULE: PROCATHEPSIN B; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR M.PODOBNIK,D.TURK,R.KUHELJ,V.TURK . 317 1 6 6 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13515.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 196 61.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 9 2.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 53 16.7 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 . 1 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.6 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 . 30 9.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 32 10.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 57 18.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 1.3 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 1 0 1 1 0 0 2 1 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 1 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 0 0 PARALLEL BRIDGES PER LADDER . 7 3 1 0 1 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 ANTIPARALLEL BRIDGES PER LADDER . 2 1 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 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 1AA M 0 0 144 0, 0.0 2,-1.1 0, 0.0 3,-0.1 0.000 360.0 360.0 360.0 149.4 -1.8 48.1 1.9 2 1PA R - 0 0 136 1,-0.2 31,-0.0 31,-0.2 0, 0.0 -0.492 360.0-138.9 -96.2 62.6 -1.3 50.6 -1.0 3 2PA S - 0 0 100 -2,-1.1 -1,-0.2 1,-0.2 32,-0.0 0.230 56.0 -43.6 21.7-106.7 -4.9 50.4 -2.3 4 3PA R S S+ 0 0 157 -3,-0.1 -1,-0.2 3,-0.0 3,-0.1 -0.113 104.4 88.3-143.9 43.0 -5.0 50.3 -6.1 5 4PA P S S+ 0 0 78 0, 0.0 2,-1.2 0, 0.0 -2,-0.1 0.562 88.6 11.1-106.5 -98.6 -2.6 52.8 -7.7 6 5PA S S S- 0 0 96 1,-0.0 -4,-0.0 2,-0.0 2,-0.0 -0.676 79.2-178.9 -85.1 95.7 1.1 52.2 -8.5 7 6PA F + 0 0 47 -2,-1.2 27,-0.1 -3,-0.1 28,-0.1 -0.155 31.9 71.5 -86.2-176.3 1.5 48.4 -8.0 8 7PA H - 0 0 79 26,-0.2 24,-0.2 3,-0.0 28,-0.1 0.591 57.0-137.1 78.5 130.8 4.5 46.0 -8.4 9 8PA P S S+ 0 0 21 0, 0.0 23,-0.1 0, 0.0 27,-0.1 0.940 75.0 51.2 -80.8 -84.0 7.4 45.8 -5.9 10 9PA L S S- 0 0 25 21,-0.1 21,-0.0 231,-0.1 232,-0.0 -0.283 84.0-115.9 -64.9 136.4 10.9 45.5 -7.4 11 10PA S >> - 0 0 50 1,-0.1 4,-1.7 -2,-0.0 3,-0.8 -0.251 17.3-120.6 -67.2 153.4 11.9 48.0 -10.1 12 11PA D H 3> S+ 0 0 82 1,-0.2 4,-3.3 2,-0.2 5,-0.2 0.803 115.5 70.7 -64.0 -21.3 12.6 46.9 -13.7 13 12PA E H 3> S+ 0 0 143 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.858 98.2 43.6 -62.1 -40.8 15.9 48.4 -12.7 14 13PA L H <> S+ 0 0 31 -3,-0.8 4,-2.4 2,-0.2 5,-0.3 0.945 115.0 49.9 -71.6 -44.1 16.7 45.6 -10.3 15 14PA V H X S+ 0 0 7 -4,-1.7 4,-1.7 1,-0.2 12,-0.3 0.893 115.7 44.0 -58.8 -39.9 15.5 43.0 -12.9 16 15PA N H X S+ 0 0 69 -4,-3.3 4,-2.9 2,-0.2 -1,-0.2 0.868 110.0 53.5 -76.5 -36.1 17.7 44.7 -15.5 17 16PA Y H X S+ 0 0 100 -4,-2.3 4,-1.4 -5,-0.2 -2,-0.2 0.920 110.9 46.6 -64.5 -42.9 20.7 45.1 -13.3 18 17PA V H X>S+ 0 0 0 -4,-2.4 5,-0.5 2,-0.2 4,-0.5 0.918 115.6 46.7 -64.3 -42.3 20.7 41.4 -12.5 19 18PA N H ><5S+ 0 0 58 -4,-1.7 3,-1.0 -5,-0.3 -2,-0.2 0.889 111.0 50.3 -69.9 -34.0 20.3 40.6 -16.2 20 19PA K H 3<5S+ 0 0 180 -4,-2.9 -1,-0.2 1,-0.3 -2,-0.2 0.764 99.9 68.8 -70.6 -27.1 23.0 43.0 -17.2 21 20PA R H 3<5S- 0 0 116 -4,-1.4 -1,-0.3 -5,-0.2 -2,-0.2 0.722 95.2-146.4 -60.9 -26.3 25.1 41.3 -14.6 22 21PA N T <<5 + 0 0 149 -3,-1.0 -3,-0.1 -4,-0.5 2,-0.1 0.957 40.2 151.3 53.2 64.1 25.2 38.1 -16.8 23 22PA T < - 0 0 34 -5,-0.5 -1,-0.1 2,-0.5 228,-0.1 -0.256 63.0 -72.5-105.7-164.1 25.2 35.6 -14.0 24 23PA T S S+ 0 0 32 226,-0.2 226,-2.7 -2,-0.1 2,-0.3 0.273 110.8 43.2 -81.3 11.4 23.9 32.0 -13.7 25 24PA W E S-A 249 0A 3 224,-0.3 -2,-0.5 -7,-0.1 2,-0.4 -0.976 74.2-125.8-150.9 159.8 20.2 33.0 -13.6 26 25PA Q E -A 248 0A 103 222,-1.6 221,-1.3 -2,-0.3 222,-0.8 -0.894 22.0-132.4-114.1 140.7 17.8 35.4 -15.3 27 26PA A E +A 246 0A 10 -2,-0.4 2,-0.3 -12,-0.3 219,-0.2 -0.634 30.0 158.7 -93.8 148.6 15.6 37.9 -13.5 28 27PA G - 0 0 12 217,-2.5 2,-0.8 -2,-0.3 261,-0.1 -0.961 48.6 -87.1-157.0 163.8 11.9 38.5 -14.1 29 28PA H + 0 0 27 -2,-0.3 216,-0.1 1,-0.2 3,-0.1 -0.715 41.9 167.1 -83.7 109.0 9.0 40.1 -12.3 30 29PA N + 0 0 7 -2,-0.8 2,-0.5 214,-0.3 -1,-0.2 0.831 64.7 54.4 -85.6 -32.1 7.4 37.4 -10.1 31 30PA F + 0 0 5 213,-0.1 2,-0.3 142,-0.1 -1,-0.2 -0.885 52.6 160.2-118.0 131.4 5.3 39.9 -8.1 32 31PA Y S S+ 0 0 91 -2,-0.5 2,-2.4 -24,-0.2 143,-0.2 -0.863 72.6 11.0-135.7 158.1 2.9 42.6 -9.2 33 32PA N S S+ 0 0 11 -2,-0.3 -31,-0.2 1,-0.1 -2,-0.1 -0.479 89.4 126.0 68.5 -65.4 0.2 44.2 -7.0 34 33PA V - 0 0 5 -2,-2.4 -26,-0.2 -27,-0.1 2,-0.2 0.366 61.8-122.4 -23.5 136.6 1.5 42.7 -3.8 35 34PA D >> - 0 0 28 147,-1.1 4,-1.5 1,-0.1 3,-0.6 -0.585 23.7-113.6 -83.2 152.4 2.3 45.2 -1.0 36 35PA M H 3> S+ 0 0 65 1,-0.2 4,-0.9 -2,-0.2 5,-0.1 0.795 117.3 64.9 -58.3 -25.6 5.9 45.3 0.4 37 36PA S H >> S+ 0 0 58 1,-0.2 4,-2.1 2,-0.2 3,-0.6 0.905 99.1 49.2 -60.6 -51.4 4.3 43.9 3.6 38 37PA Y H <> S+ 0 0 3 -3,-0.6 4,-1.0 144,-0.3 -1,-0.2 0.889 104.6 59.9 -56.9 -40.6 3.2 40.7 2.0 39 38PA L H 3< S+ 0 0 0 -4,-1.5 4,-0.3 1,-0.2 -1,-0.2 0.770 109.6 42.2 -64.5 -25.7 6.7 40.2 0.6 40 39PA K H X< S+ 0 0 100 -4,-0.9 3,-1.2 -3,-0.6 -1,-0.2 0.841 106.2 59.8 -89.1 -32.0 8.2 40.2 4.1 41 40PA R H 3< S+ 0 0 43 -4,-2.1 -2,-0.2 1,-0.3 -1,-0.2 0.701 97.1 67.6 -66.5 -16.1 5.5 38.0 5.6 42 41PA L T 3< S+ 0 0 0 -4,-1.0 2,-1.4 1,-0.2 -1,-0.3 0.815 88.1 65.0 -71.8 -33.6 6.7 35.5 2.9 43 42PA C < + 0 0 15 -3,-1.2 218,-0.5 -4,-0.3 -1,-0.2 -0.643 65.2 157.0 -92.8 79.8 10.1 35.0 4.6 44 43PA G + 0 0 5 -2,-1.4 93,-1.1 45,-0.2 49,-0.7 -0.213 31.5 99.2-103.2 41.8 8.8 33.4 7.8 45 44PA T B -b 137 0B 4 216,-1.6 2,-0.7 91,-0.2 216,-0.4 -0.997 59.8-143.0-128.3 131.8 11.7 31.5 9.1 46 45PA F > - 0 0 87 91,-2.3 3,-0.6 -2,-0.4 -2,-0.1 -0.818 20.2-146.0 -94.5 117.8 14.0 32.6 11.9 47 46PA L T 3 S+ 0 0 56 -2,-0.7 214,-0.1 1,-0.2 190,-0.0 -0.360 78.8 31.8 -79.2 159.1 17.6 31.6 11.2 48 47PA G T 3 S+ 0 0 68 1,-0.1 -1,-0.2 2,-0.1 3,-0.1 0.802 88.0 137.6 65.5 30.9 19.8 30.6 14.1 49 48PA G < - 0 0 21 -3,-0.6 -1,-0.1 1,-0.3 2,-0.1 0.109 64.2 -37.9 -85.5-152.4 17.0 29.3 16.2 50 49PA P - 0 0 64 0, 0.0 90,-0.4 0, 0.0 -1,-0.3 -0.395 61.0-143.4 -71.6 145.6 17.0 26.1 18.3 51 50PA K - 0 0 178 -3,-0.1 259,-0.0 89,-0.1 257,-0.0 -0.760 23.8-100.3-104.5 158.0 18.9 23.2 16.7 52 51PA P - 0 0 8 0, 0.0 163,-0.2 0, 0.0 162,-0.1 -0.465 36.0-113.9 -76.3 152.0 17.8 19.5 17.0 53 52PA P S S+ 0 0 116 0, 0.0 161,-0.1 0, 0.0 2,-0.1 0.864 94.6 51.2 -48.6 -48.1 19.8 17.5 19.7 54 53PA Q E -d 214 0C 88 159,-0.7 161,-1.3 162,-0.0 2,-0.3 -0.356 61.4-162.2 -91.2 179.0 21.5 15.2 17.2 55 54PA R E -d 215 0C 147 159,-0.2 161,-0.2 -2,-0.1 2,-0.2 -0.876 15.0-149.8-163.1 111.6 23.5 15.8 14.1 56 55PA V E +d 216 0C 40 159,-2.2 161,-1.2 -2,-0.3 2,-0.3 -0.538 16.6 175.4 -89.9 161.0 24.1 13.0 11.5 57 56PA M - 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0 0 0 -3,-1.6 3,-1.5 -6,-0.2 4,-0.4 -0.758 58.0-173.4-108.4 86.1 5.6 9.2 -4.3 78 15 A P G >> S+ 0 0 76 0, 0.0 3,-1.4 0, 0.0 4,-0.9 0.808 77.7 64.1 -47.6 -36.7 3.2 11.9 -5.7 79 16 A T G 34 S+ 0 0 4 1,-0.3 3,-0.4 2,-0.2 24,-0.1 0.827 86.4 71.8 -62.4 -29.7 3.9 14.5 -2.9 80 17 A I G <4 S+ 0 0 0 -3,-1.5 -1,-0.3 1,-0.2 -9,-0.2 0.765 102.9 42.8 -57.0 -26.0 7.5 14.9 -4.0 81 18 A K T <4 S+ 0 0 99 -3,-1.4 -1,-0.2 -4,-0.4 -2,-0.2 0.752 93.3 105.7 -88.9 -31.2 6.4 16.7 -7.2 82 19 A E < - 0 0 37 -4,-0.9 2,-0.4 -3,-0.4 -3,-0.0 -0.109 53.2-158.2 -54.7 144.8 3.8 18.9 -5.5 83 20 A I - 0 0 14 200,-0.0 203,-0.2 210,-0.0 2,-0.2 -0.990 13.4-159.2-125.7 131.7 4.3 22.6 -4.8 84 21 A R - 0 0 7 198,-0.4 201,-1.6 -2,-0.4 2,-0.4 -0.618 9.7-131.0-109.1 171.8 2.2 24.2 -2.1 85 22 A D B -M 284 0D 13 199,-0.2 199,-0.2 -2,-0.2 72,-0.1 -0.992 6.0-162.1-129.2 129.7 1.3 27.8 -1.3 86 23 A Q - 0 0 0 197,-1.7 5,-0.1 -2,-0.4 198,-0.1 0.547 31.0-151.2 -87.0 -6.7 1.6 29.5 2.1 87 24 A G - 0 0 0 1,-0.2 2,-2.3 3,-0.1 -1,-0.2 -0.233 60.1 -28.5 65.8-163.4 -0.8 32.4 1.3 88 25 A S S S+ 0 0 16 81,-0.4 2,-0.3 97,-0.1 -1,-0.2 -0.469 117.0 98.3 -83.6 68.4 -0.2 35.7 3.0 89 26 A b S S- 0 0 0 -2,-2.3 2,-1.8 -51,-0.1 -45,-0.2 -0.968 76.1-129.1-156.7 134.3 1.3 33.9 6.0 90 27 A G + 0 0 0 44,-2.5 46,-0.5 -2,-0.3 3,-0.2 -0.488 64.1 127.3 -84.2 66.4 4.9 33.3 7.1 91 28 A S >> + 0 0 0 -2,-1.8 4,-2.2 1,-0.2 3,-1.1 0.095 26.1 114.9-108.5 20.6 4.3 29.6 7.6 92 29 A C H 3> + 0 0 0 1,-0.3 4,-2.7 2,-0.2 5,-0.3 0.850 69.6 63.5 -60.1 -34.3 7.3 28.4 5.5 93 30 A W H 3> S+ 0 0 3 -49,-0.7 4,-0.6 -3,-0.2 -1,-0.3 0.841 111.2 40.8 -57.1 -32.2 9.0 27.0 8.6 94 31 A A H <> S+ 0 0 0 -3,-1.1 4,-2.6 2,-0.2 5,-0.3 0.865 112.4 54.0 -85.0 -37.7 6.0 24.7 8.7 95 32 A F H X S+ 0 0 4 -4,-2.2 4,-2.6 2,-0.2 5,-0.3 0.951 105.1 51.3 -63.7 -48.8 5.7 24.1 4.9 96 33 A G H X S+ 0 0 1 -4,-2.7 4,-1.9 1,-0.2 -1,-0.2 0.886 114.8 47.2 -56.3 -36.0 9.3 22.9 4.4 97 34 A A H X S+ 0 0 0 -4,-0.6 4,-2.1 -5,-0.3 -2,-0.2 0.962 113.1 42.5 -71.8 -56.0 8.7 20.4 7.3 98 35 A V H X S+ 0 0 0 -4,-2.6 4,-2.6 2,-0.2 19,-0.5 0.864 115.3 52.8 -62.1 -33.2 5.3 18.9 6.3 99 36 A E H X S+ 0 0 10 -4,-2.6 4,-2.4 -5,-0.3 -1,-0.2 0.978 112.0 42.4 -64.3 -55.5 6.4 18.7 2.7 100 37 A A H X S+ 0 0 0 -4,-1.9 4,-2.3 -5,-0.3 -1,-0.2 0.829 115.8 52.6 -59.3 -33.7 9.6 16.7 3.5 101 38 A I H X S+ 0 0 0 -4,-2.1 4,-2.3 2,-0.2 -1,-0.2 0.892 105.8 51.7 -70.1 -43.2 7.6 14.7 6.0 102 39 A S H X S+ 0 0 0 -4,-2.6 4,-1.7 1,-0.2 13,-0.3 0.961 112.6 47.6 -59.1 -47.9 4.9 13.8 3.4 103 40 A D H X S+ 0 0 0 -4,-2.4 4,-2.3 1,-0.2 -2,-0.2 0.928 112.0 49.3 -58.3 -48.2 7.7 12.6 1.1 104 41 A R H X S+ 0 0 0 -4,-2.3 4,-3.2 2,-0.2 5,-0.3 0.818 104.0 57.9 -65.5 -31.6 9.5 10.6 3.8 105 42 A I H X S+ 0 0 0 -4,-2.3 4,-2.0 1,-0.2 -1,-0.2 0.995 111.8 42.1 -60.7 -55.6 6.4 8.8 4.9 106 43 A a H <>S+ 0 0 0 -4,-1.7 5,-2.2 1,-0.2 7,-0.2 0.865 119.1 45.9 -56.7 -41.2 5.9 7.4 1.4 107 44 A I H ><5S+ 0 0 5 -4,-2.3 3,-1.5 3,-0.2 -1,-0.2 0.969 115.4 42.5 -70.2 -51.7 9.6 6.7 1.0 108 45 A H H 3<5S+ 0 0 56 -4,-3.2 -1,-0.2 1,-0.3 -2,-0.2 0.660 117.6 44.5 -72.8 -18.5 10.3 5.0 4.3 109 46 A T T ><5S- 0 0 7 -4,-2.0 3,-1.2 -5,-0.3 -1,-0.3 0.019 114.0-135.3-104.7 22.1 7.1 3.0 4.3 110 47 A N T < 5 - 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