==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=9-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER THIOL PROTEASE 14-FEB-97 1PBH . COMPND 2 MOLECULE: PROCATHEPSIN B; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR M.PODOBNIK,D.TURK . 317 1 6 6 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13511.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 198 62.5 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 . 32 10.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 26 8.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 58 18.3 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+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 2 0 1 1 1 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 0 0 PARALLEL BRIDGES PER LADDER . 7 1 1 0 2 1 0 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 . 1 0 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 1AA M 0 0 231 0, 0.0 2,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 148.4 7.6 19.3 44.4 2 1PA R - 0 0 195 2,-0.0 2,-0.4 0, 0.0 0, 0.0 -0.413 360.0-156.1-172.7 83.4 5.0 16.5 44.6 3 2PA S - 0 0 106 1,-0.1 0, 0.0 -2,-0.1 0, 0.0 -0.561 16.6-147.2 -67.5 120.2 3.4 15.2 41.3 4 3PA R - 0 0 190 -2,-0.4 2,-0.3 0, 0.0 -1,-0.1 -0.816 13.5-165.5 -95.5 102.0 0.1 13.6 42.4 5 4PA P + 0 0 87 0, 0.0 2,-0.2 0, 0.0 30,-0.0 -0.683 31.6 121.8 -87.8 139.1 -0.7 10.7 40.2 6 5PA S - 0 0 63 -2,-0.3 31,-0.6 1,-0.1 30,-0.4 -0.521 49.3-113.3-156.2-127.2 -4.2 9.3 40.3 7 6PA F + 0 0 147 28,-0.2 28,-0.1 29,-0.2 -1,-0.1 -0.476 54.6 123.9-156.8-134.9 -7.0 8.8 37.7 8 7PA H - 0 0 153 -2,-0.2 3,-0.2 26,-0.1 -1,-0.1 0.998 57.2-158.7 54.1 73.0 -10.6 10.3 37.1 9 8PA P - 0 0 48 0, 0.0 2,-0.8 0, 0.0 -2,-0.1 0.712 34.3 -26.6 -54.4-147.5 -9.9 11.4 33.5 10 9PA L - 0 0 14 21,-0.1 21,-0.1 1,-0.1 -2,-0.1 -0.741 68.5-143.8 -82.3 106.6 -11.3 13.9 31.0 11 10PA S > - 0 0 41 -2,-0.8 4,-0.5 -3,-0.2 -1,-0.1 0.301 20.1-112.1 -58.3-170.1 -15.0 14.4 31.9 12 11PA D H > S+ 0 0 99 2,-0.2 4,-3.0 3,-0.1 3,-0.5 0.809 115.7 63.5 -92.8 -41.8 -17.9 15.0 29.6 13 12PA E H > S+ 0 0 150 1,-0.3 4,-1.9 2,-0.2 5,-0.1 0.782 99.9 55.6 -53.1 -29.0 -18.3 18.6 30.8 14 13PA L H > S+ 0 0 23 2,-0.2 4,-2.2 3,-0.2 -1,-0.3 0.931 112.6 40.7 -69.2 -45.8 -14.8 19.1 29.3 15 14PA V H X S+ 0 0 11 -4,-0.5 4,-1.5 -3,-0.5 12,-0.3 0.985 115.9 49.6 -62.3 -61.2 -16.0 17.8 25.9 16 15PA N H X S+ 0 0 80 -4,-3.0 4,-2.3 1,-0.2 -1,-0.2 0.809 112.2 49.8 -46.7 -41.1 -19.3 19.6 26.1 17 16PA Y H X S+ 0 0 93 -4,-1.9 4,-1.6 -5,-0.3 -1,-0.2 0.943 104.6 55.0 -66.0 -52.8 -17.6 22.8 27.0 18 17PA V H <>S+ 0 0 0 -4,-2.2 5,-0.7 1,-0.2 4,-0.3 0.767 113.0 46.6 -54.2 -24.1 -15.1 22.7 24.2 19 18PA N H ><5S+ 0 0 64 -4,-1.5 3,-1.9 2,-0.2 -2,-0.2 0.946 106.2 53.2 -83.9 -52.4 -18.0 22.4 21.9 20 19PA K H 3<5S+ 0 0 184 -4,-2.3 -2,-0.2 1,-0.3 -1,-0.2 0.706 103.9 60.7 -56.2 -23.7 -20.3 25.2 23.3 21 20PA R T 3<5S- 0 0 125 -4,-1.6 -1,-0.3 -5,-0.1 -2,-0.2 0.732 98.4-141.2 -77.8 -21.4 -17.4 27.6 22.9 22 21PA N T < 5 + 0 0 143 -3,-1.9 -3,-0.1 -4,-0.3 -2,-0.1 0.979 35.8 164.0 59.7 59.8 -17.1 27.1 19.1 23 22PA T < - 0 0 29 -5,-0.7 228,-0.1 2,-0.5 230,-0.0 -0.115 60.4 -79.0 -85.7-163.8 -13.4 27.1 18.6 24 23PA T S S+ 0 0 31 226,-0.3 226,-3.2 -2,-0.1 2,-0.3 0.253 109.7 50.5 -87.2 18.1 -11.9 25.7 15.3 25 24PA W E -A 249 0A 4 224,-0.3 -2,-0.5 -7,-0.2 2,-0.4 -0.984 69.7-131.3-151.7 159.1 -12.3 22.1 16.4 26 25PA Q E -A 248 0A 92 222,-2.3 222,-1.6 -2,-0.3 221,-1.5 -0.952 20.2-151.8-121.2 135.6 -14.7 19.6 17.9 27 26PA A E +A 246 0A 14 -2,-0.4 2,-0.3 -12,-0.3 219,-0.2 -0.354 20.5 155.9 -94.9 175.2 -14.2 17.2 20.8 28 27PA G - 0 0 15 217,-1.6 2,-0.5 -2,-0.1 261,-0.0 -0.913 53.7 -63.0-176.6-175.2 -15.4 13.8 21.9 29 28PA H + 0 0 39 -2,-0.3 3,-0.1 1,-0.2 216,-0.1 -0.807 49.4 159.4 -97.0 123.5 -14.2 11.0 24.1 30 29PA N + 0 0 1 -2,-0.5 2,-0.5 1,-0.2 -1,-0.2 0.721 63.6 53.8-102.9 -46.9 -11.0 9.3 22.9 31 30PA F + 0 0 4 213,-0.1 2,-0.4 143,-0.1 -1,-0.2 -0.833 63.0 179.1 -97.4 133.3 -9.7 7.7 26.1 32 31PA Y + 0 0 102 141,-3.3 143,-0.4 -2,-0.5 150,-0.1 -0.994 64.6 1.2-133.2 137.0 -11.9 5.5 28.1 33 32PA N S S+ 0 0 43 -2,-0.4 149,-1.3 1,-0.2 2,-0.4 0.968 89.9 145.9 52.7 59.8 -11.0 3.6 31.2 34 33PA V B -b 182 0B 6 147,-0.2 2,-0.3 -3,-0.2 -1,-0.2 -0.999 48.7-125.8-128.8 146.0 -7.6 5.0 31.4 35 34PA D >> - 0 0 29 147,-2.6 3,-3.0 -2,-0.4 4,-0.9 -0.665 25.0-122.9 -88.4 134.3 -5.4 5.9 34.4 36 35PA M H 3> S+ 0 0 35 -30,-0.4 4,-1.6 -2,-0.3 -29,-0.2 0.726 113.0 67.2 -53.2 -18.7 -4.0 9.5 34.5 37 36PA S H 3> S+ 0 0 22 -31,-0.6 4,-2.3 2,-0.2 -1,-0.3 0.863 100.6 52.4 -66.4 -31.4 -0.5 7.9 34.7 38 37PA Y H <> S+ 0 0 0 -3,-3.0 4,-2.0 144,-0.4 -2,-0.2 0.988 105.8 49.6 -62.6 -59.9 -1.3 6.7 31.2 39 38PA L H X S+ 0 0 0 -4,-0.9 4,-0.7 1,-0.2 -1,-0.2 0.797 114.7 48.5 -52.3 -31.1 -2.3 10.1 29.8 40 39PA K H >< S+ 0 0 96 -4,-1.6 3,-0.9 2,-0.2 -1,-0.2 0.938 108.1 47.9 -78.1 -49.1 0.9 11.5 31.2 41 40PA R H 3< S+ 0 0 25 -4,-2.3 -2,-0.2 1,-0.3 -1,-0.2 0.753 104.0 67.4 -63.4 -23.0 3.4 8.9 30.0 42 41PA L H 3< S+ 0 0 0 -4,-2.0 2,-1.4 1,-0.3 -1,-0.3 0.896 95.6 56.0 -62.5 -41.0 1.7 9.4 26.6 43 42PA C S << S+ 0 0 12 -3,-0.9 218,-0.4 -4,-0.7 -1,-0.3 -0.705 73.8 158.4 -91.5 82.4 3.1 12.9 26.6 44 43PA G + 0 0 4 -2,-1.4 93,-1.1 45,-0.2 49,-0.6 -0.250 28.1 104.6-106.9 51.9 6.8 11.8 27.0 45 44PA T B -cD 137 261C 7 216,-2.9 216,-0.5 91,-0.2 2,-0.4 -0.986 54.5-146.0-132.6 136.7 8.9 14.8 25.7 46 45PA F - 0 0 73 91,-1.1 2,-0.8 -2,-0.4 -2,-0.0 -0.794 30.8-118.5 -91.7 142.2 10.9 17.4 27.6 47 46PA L S S- 0 0 78 -2,-0.4 2,-0.3 91,-0.1 91,-0.1 -0.708 72.0 -9.3 -98.3 114.6 10.9 20.8 25.9 48 47PA G + 0 0 19 -2,-0.8 92,-0.3 260,-0.1 -2,-0.1 -0.840 68.2 134.5 110.9-150.9 14.2 22.3 24.7 49 48PA G S S+ 0 0 68 -2,-0.3 -2,-0.1 91,-0.1 2,-0.0 -0.694 77.1 7.2 112.4 -87.6 17.6 20.8 25.5 50 49PA P - 0 0 42 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 -0.390 67.6-164.0-138.3 67.0 20.0 20.5 22.7 51 50PA K - 0 0 88 1,-0.1 164,-0.1 -2,-0.0 -2,-0.1 -0.201 24.3-125.9 -48.1 126.3 18.6 22.2 19.6 52 51PA P - 0 0 6 0, 0.0 163,-2.4 0, 0.0 3,-0.2 -0.757 42.9 -84.3 -82.5 123.0 20.7 21.0 16.6 53 52PA P - 0 0 106 0, 0.0 2,-0.2 0, 0.0 161,-0.1 0.296 63.0 -79.4 13.3-133.3 22.2 24.0 14.7 54 53PA Q - 0 0 103 160,-0.1 2,-1.2 -3,-0.0 162,-0.2 -0.812 23.1-133.0-161.4 112.9 19.8 25.6 12.1 55 54PA R B -n 216 0D 70 160,-3.1 2,-2.1 -2,-0.2 162,-0.5 -0.600 29.0-141.1 -68.8 97.5 19.0 24.3 8.6 56 55PA V - 0 0 120 -2,-1.2 -1,-0.1 160,-0.1 160,-0.1 -0.514 21.4-141.6 -64.4 82.9 19.5 27.7 7.0 57 56PA M - 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0 0 35 -4,-1.2 2,-0.4 17,-0.1 199,-0.0 -0.204 49.4-163.1 -58.0 132.0 1.4 4.9 9.0 83 20 A I - 0 0 11 198,-0.0 203,-0.2 200,-0.0 2,-0.1 -0.961 14.5-162.2-113.6 133.8 0.2 5.8 12.5 84 21 A R - 0 0 8 198,-0.8 201,-2.5 -2,-0.4 2,-0.4 -0.440 13.8-128.2-111.7-177.5 2.0 4.1 15.4 85 22 A D B -O 284 0E 21 199,-0.2 199,-0.2 -2,-0.1 72,-0.2 -0.996 6.8-166.4-136.1 127.5 1.4 3.4 19.1 86 23 A Q - 0 0 0 197,-2.3 3,-0.3 -2,-0.4 5,-0.3 0.511 31.7-147.9 -89.2 -5.9 3.9 4.2 21.9 87 24 A G - 0 0 0 196,-0.3 2,-1.4 1,-0.2 -1,-0.3 -0.308 60.0 -37.3 66.7-162.4 2.1 2.1 24.5 88 25 A S S S+ 0 0 20 81,-0.5 2,-0.4 97,-0.2 -1,-0.2 -0.442 115.1 107.9 -91.9 59.3 2.3 3.4 28.0 89 26 A b S S- 0 0 1 -2,-1.4 2,-2.9 -3,-0.3 3,-0.3 -0.995 75.6-134.4-138.1 119.9 5.8 4.4 27.3 90 27 A G + 0 0 0 44,-2.5 46,-0.4 -2,-0.4 3,-0.4 -0.272 66.2 129.8 -72.8 55.9 6.7 8.1 26.9 91 28 A S >> + 0 0 0 -2,-2.9 4,-1.8 -5,-0.3 3,-1.4 0.322 27.4 110.5 -92.7 6.9 8.6 7.0 23.9 92 29 A C H 3> S+ 0 0 0 -3,-0.3 4,-2.8 1,-0.3 5,-0.4 0.792 70.8 59.6 -53.1 -35.8 7.0 9.7 21.6 93 30 A W H 3> S+ 0 0 1 -49,-0.6 4,-1.1 -3,-0.4 -1,-0.3 0.869 110.4 43.8 -62.2 -34.8 10.2 11.7 21.3 94 31 A A H <> S+ 0 0 0 -3,-1.4 4,-2.7 2,-0.2 -2,-0.3 0.802 113.3 55.9 -75.8 -31.0 11.7 8.5 19.8 95 32 A F H X S+ 0 0 3 -4,-1.8 4,-3.2 2,-0.2 5,-0.3 0.986 104.6 44.9 -68.0 -59.8 8.5 8.1 17.8 96 33 A G H X S+ 0 0 0 -4,-2.8 4,-2.1 2,-0.2 5,-0.3 0.930 116.3 54.2 -49.9 -42.4 8.3 11.4 16.0 97 34 A A H X S+ 0 0 0 -4,-1.1 4,-2.8 -5,-0.4 3,-0.4 0.970 115.1 32.9 -54.8 -69.8 12.0 10.8 15.3 98 35 A V H X S+ 0 0 0 -4,-2.7 4,-2.3 1,-0.2 19,-0.5 0.768 112.9 62.0 -64.6 -25.0 11.8 7.4 13.7 99 36 A E H X S+ 0 0 3 -4,-3.2 4,-1.3 -5,-0.2 -1,-0.2 0.937 114.0 35.2 -64.3 -45.9 8.4 8.0 12.1 100 37 A A H X S+ 0 0 0 -4,-2.1 4,-2.4 -3,-0.4 5,-0.3 0.926 114.0 57.1 -73.2 -45.8 9.9 10.8 10.0 101 38 A I H X S+ 0 0 0 -4,-2.8 4,-1.4 -5,-0.3 -2,-0.2 0.890 105.3 54.4 -51.8 -41.0 13.3 9.1 9.6 102 39 A S H X S+ 0 0 0 -4,-2.3 4,-1.5 -5,-0.2 13,-0.3 0.929 110.5 44.5 -58.6 -48.1 11.4 6.2 8.1 103 40 A D H X S+ 0 0 0 -4,-1.3 4,-2.1 1,-0.2 -2,-0.2 0.984 110.1 53.4 -58.1 -64.1 9.7 8.4 5.5 104 41 A R H X S+ 0 0 0 -4,-2.4 4,-3.1 2,-0.2 5,-0.3 0.680 103.3 57.4 -46.2 -31.5 12.8 10.4 4.5 105 42 A I H X S+ 0 0 9 -4,-1.4 4,-3.5 -3,-0.3 -1,-0.2 0.992 110.0 43.8 -65.1 -58.1 14.8 7.3 3.8 106 43 A a H < S+ 0 0 0 -4,-1.5 6,-0.9 1,-0.2 7,-0.7 0.826 118.8 46.9 -52.7 -36.2 12.2 6.2 1.3 107 44 A I H X S+ 0 0 16 -4,-2.1 4,-0.6 4,-0.2 3,-0.4 0.913 123.5 28.8 -72.3 -50.0 12.1 9.8 -0.0 108 45 A H H < S+ 0 0 68 -4,-3.1 -2,-0.2 1,-0.2 -3,-0.2 0.673 108.2 70.1 -86.1 -20.8 15.9 10.5 -0.3 109 46 A T T < S- 0 0 63 -4,-3.5 -1,-0.2 -5,-0.3 -3,-0.1 0.083 138.8 -65.9 -86.2 29.0 16.9 6.9 -0.9 110 47 A N T >4 - 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