==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=12-AUG-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE/PEPTIDE 18-MAY-12 4AUO . COMPND 2 MOLECULE: INTERSTITIAL COLLAGENASE; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR S.W.MANKA,F.CARAFOLI,R.VISSE,D.BIHAN,N.RAYNAL,R.W.FARNDALE,G . 947 9 2 2 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 43394.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 512 54.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 33 3.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 155 16.4 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 8 0.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 12 1.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 2 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 1 0.1 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 . 73 7.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 78 8.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 79 8.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 10 1.1 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 3 1 0 0 0 0 2 1 0 1 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 3 1 1 4 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 . 0 10 4 4 11 3 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 . 2 2 4 5 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 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 81 A F 0 0 93 0, 0.0 2,-0.4 0, 0.0 128,-0.1 0.000 360.0 360.0 360.0 154.8 17.0 132.3 28.5 2 82 A V E -A 128 0A 61 126,-0.8 126,-3.1 135,-0.1 2,-0.5 -0.992 360.0-141.2-133.1 129.8 19.6 132.7 25.9 3 83 A L E -A 127 0A 54 -2,-0.4 124,-0.2 124,-0.2 4,-0.2 -0.759 42.1 -98.8 -86.2 129.0 19.3 134.4 22.5 4 84 A T > - 0 0 13 122,-1.8 3,-1.5 -2,-0.5 -1,-0.1 -0.001 48.7 -91.9 -41.3 150.5 21.2 132.4 19.9 5 85 A E T 3 S+ 0 0 177 1,-0.2 -1,-0.1 2,-0.1 -3,-0.0 -0.412 114.7 29.0 -67.9 147.9 24.7 133.9 19.1 6 86 A G T 3 S- 0 0 68 1,-0.2 -1,-0.2 -3,-0.1 -2,-0.1 0.347 112.7-105.7 84.0 -7.6 24.6 136.4 16.2 7 87 A N < - 0 0 109 -3,-1.5 -1,-0.2 1,-0.2 2,-0.2 0.910 48.2-168.5 54.0 49.4 21.0 137.3 17.1 8 88 A P + 0 0 17 0, 0.0 2,-0.3 0, 0.0 -4,-0.2 -0.487 18.5 153.4 -70.5 140.2 19.5 135.5 14.2 9 89 A R - 0 0 135 -2,-0.2 2,-0.4 78,-0.1 117,-0.1 -0.912 45.0 -94.8-153.2 172.2 15.8 136.3 13.8 10 90 A W - 0 0 21 115,-0.3 5,-0.0 -2,-0.3 115,-0.0 -0.804 16.6-157.2 -99.7 142.6 13.3 136.4 10.9 11 91 A E S S+ 0 0 97 -2,-0.4 2,-0.5 1,-0.1 -1,-0.2 0.904 79.0 72.1 -80.1 -42.5 12.6 139.6 9.1 12 92 A Q - 0 0 135 1,-0.1 -1,-0.1 2,-0.1 -2,-0.0 -0.622 65.3-160.5 -79.2 121.8 9.1 138.5 7.9 13 93 A T S S+ 0 0 68 -2,-0.5 36,-1.3 1,-0.2 2,-0.9 0.717 81.1 66.3 -73.6 -22.5 6.5 138.5 10.6 14 94 A H E S-b 49 0B 114 34,-0.2 -1,-0.2 36,-0.1 36,-0.1 -0.811 76.3-175.6-105.5 94.7 4.2 136.1 8.7 15 95 A L E -b 50 0B 0 34,-1.6 36,-2.5 -2,-0.9 2,-0.3 -0.418 14.9-152.9 -89.8 163.7 6.1 132.8 8.4 16 96 A T E -b 51 0B 39 34,-0.2 43,-1.7 -2,-0.1 44,-1.2 -0.982 11.5-172.6-134.1 143.4 5.2 129.6 6.6 17 97 A Y E -bc 52 60B 4 34,-2.7 36,-1.5 -2,-0.3 2,-0.3 -0.860 6.0-157.5-132.9 168.5 6.3 126.0 7.4 18 98 A R E - c 0 61B 58 42,-2.5 44,-3.7 -2,-0.3 2,-1.5 -0.956 20.6-138.9-154.1 133.2 6.1 122.6 5.8 19 99 A I - 0 0 5 -2,-0.3 44,-0.1 1,-0.2 42,-0.1 -0.410 25.6-172.2 -87.3 61.1 6.2 119.0 7.1 20 100 A E + 0 0 87 -2,-1.5 2,-0.2 43,-0.1 -1,-0.2 0.685 64.9 0.5 -18.1 -65.5 8.3 117.6 4.2 21 101 A N S S- 0 0 54 41,-0.7 2,-0.3 -3,-0.2 44,-0.1 -0.767 72.6-125.8-127.9 176.3 8.0 114.0 5.2 22 102 A Y - 0 0 55 -2,-0.2 6,-0.0 41,-0.1 42,-0.0 -0.891 14.5-120.4-128.3 156.9 6.3 111.9 7.9 23 103 A T > - 0 0 3 -2,-0.3 3,-1.0 3,-0.1 8,-0.1 -0.724 18.4-135.8 -92.3 139.3 7.1 109.4 10.5 24 104 A P T 3 S+ 0 0 122 0, 0.0 -1,-0.1 0, 0.0 4,-0.0 0.293 94.6 83.1 -75.7 9.9 5.4 106.0 10.3 25 105 A D T 3 S+ 0 0 61 1,-0.2 78,-0.0 77,-0.1 -3,-0.0 0.801 95.6 26.2 -83.9 -33.8 4.9 106.3 14.1 26 106 A L S < S- 0 0 17 -3,-1.0 -1,-0.2 79,-0.1 -3,-0.1 -0.995 91.3 -93.9-138.5 141.7 1.8 108.5 14.1 27 107 A P >> - 0 0 95 0, 0.0 4,-1.5 0, 0.0 3,-1.4 -0.230 44.7-112.5 -49.9 128.1 -1.1 109.1 11.7 28 108 A R H 3> S+ 0 0 161 1,-0.3 4,-2.1 2,-0.2 5,-0.1 0.685 117.3 54.1 -35.5 -31.4 -0.3 112.1 9.4 29 109 A A H 3> S+ 0 0 65 2,-0.2 4,-3.0 1,-0.2 -1,-0.3 0.911 103.2 52.1 -74.4 -46.0 -3.1 114.0 11.1 30 110 A D H <> S+ 0 0 25 -3,-1.4 4,-2.5 1,-0.2 -2,-0.2 0.831 114.8 46.2 -58.5 -32.6 -1.8 113.5 14.7 31 111 A V H X S+ 0 0 0 -4,-1.5 4,-2.8 2,-0.2 5,-0.3 0.918 110.4 50.3 -75.4 -47.3 1.5 114.8 13.4 32 112 A D H X S+ 0 0 34 -4,-2.1 4,-2.7 -5,-0.2 -2,-0.2 0.923 116.9 43.9 -55.0 -45.2 0.0 117.8 11.5 33 113 A H H X S+ 0 0 101 -4,-3.0 4,-3.5 2,-0.2 5,-0.3 0.965 110.0 53.0 -63.7 -57.0 -1.8 118.6 14.7 34 114 A A H X S+ 0 0 10 -4,-2.5 4,-2.0 1,-0.2 -2,-0.2 0.878 117.5 39.3 -47.9 -45.2 1.1 118.0 17.1 35 115 A I H X S+ 0 0 1 -4,-2.8 4,-2.6 2,-0.2 -1,-0.2 0.880 114.3 53.9 -74.7 -38.7 3.2 120.4 15.0 36 116 A E H X S+ 0 0 101 -4,-2.7 4,-1.5 -5,-0.3 -2,-0.2 0.993 112.2 44.2 -56.8 -60.9 0.3 122.8 14.4 37 117 A K H X S+ 0 0 86 -4,-3.5 4,-1.3 1,-0.2 3,-0.5 0.889 112.0 53.1 -49.9 -47.8 -0.3 123.1 18.2 38 118 A A H >X S+ 0 0 0 -4,-2.0 3,-1.1 -5,-0.3 4,-0.9 0.959 105.8 52.1 -54.9 -55.3 3.4 123.5 18.9 39 119 A F H 3X S+ 0 0 3 -4,-2.6 4,-1.7 1,-0.3 3,-0.3 0.800 105.2 60.5 -51.5 -29.2 3.8 126.4 16.5 40 120 A Q H 3X S+ 0 0 75 -4,-1.5 4,-2.6 -3,-0.5 -1,-0.3 0.868 90.9 64.6 -68.3 -38.7 0.9 127.9 18.3 41 121 A L H << S+ 0 0 32 -4,-1.3 4,-0.3 -3,-1.1 -1,-0.2 0.844 110.8 39.2 -54.1 -33.8 2.7 128.0 21.7 42 122 A W H >< S+ 0 0 0 -4,-0.9 3,-1.0 -3,-0.3 4,-0.3 0.884 115.4 48.6 -85.1 -39.7 5.1 130.5 20.2 43 123 A S H >< S+ 0 0 28 -4,-1.7 3,-0.7 1,-0.2 -2,-0.2 0.740 101.4 68.3 -71.5 -20.6 2.7 132.5 18.1 44 124 A N T 3< S+ 0 0 71 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.713 108.9 35.0 -69.4 -22.1 0.5 132.8 21.2 45 125 A V T < S+ 0 0 5 -3,-1.0 119,-0.4 -4,-0.3 -1,-0.2 0.264 119.0 48.7-115.7 7.4 3.1 135.0 22.9 46 126 A T S < S- 0 0 3 -3,-0.7 119,-0.4 -4,-0.3 117,-0.2 -0.819 86.0-106.1-137.7 177.8 4.5 136.9 19.9 47 127 A P S S+ 0 0 46 0, 0.0 -4,-0.1 0, 0.0 116,-0.1 0.584 85.1 112.9 -81.8 -6.4 3.4 138.9 16.9 48 128 A L - 0 0 8 -6,-0.2 2,-0.3 -34,-0.1 -2,-0.2 -0.189 49.5-162.1 -68.0 154.0 4.4 136.0 14.7 49 129 A T E -b 14 0B 44 -36,-1.3 -34,-1.6 2,-0.0 2,-0.4 -0.947 6.9-148.8-133.0 151.2 2.0 133.7 12.7 50 130 A F E -b 15 0B 31 -2,-0.3 2,-0.3 -36,-0.1 -34,-0.2 -0.863 14.4-177.9-132.8 103.2 2.7 130.3 11.3 51 131 A T E -b 16 0B 91 -36,-2.5 -34,-2.7 -2,-0.4 2,-0.7 -0.758 21.2-135.3 -97.8 140.8 1.0 129.2 8.1 52 132 A K E -b 17 0B 57 -2,-0.3 2,-0.5 -36,-0.2 -34,-0.2 -0.835 13.0-163.4-102.4 104.1 1.5 125.7 6.6 53 133 A V - 0 0 55 -36,-1.5 -34,-0.1 -2,-0.7 5,-0.1 -0.731 13.1-147.4 -85.4 129.8 2.1 125.5 2.9 54 134 A S S S+ 0 0 105 -2,-0.5 2,-0.3 -36,-0.1 -1,-0.1 0.525 75.7 9.1 -76.3 -5.3 1.5 121.9 1.7 55 135 A E S S+ 0 0 155 2,-0.1 2,-0.2 -37,-0.0 -1,-0.1 -0.978 99.7 41.8-165.0 163.5 4.2 122.1 -1.0 56 136 A G S S- 0 0 33 -2,-0.3 2,-0.6 2,-0.0 -3,-0.0 -0.599 100.3 -25.7 92.4-156.8 7.0 124.3 -2.3 57 137 A Q - 0 0 158 -2,-0.2 2,-0.2 4,-0.0 -2,-0.1 -0.862 58.8-172.1-102.7 122.6 9.5 126.1 -0.1 58 138 A A - 0 0 14 -2,-0.6 -41,-0.2 -40,-0.1 3,-0.2 -0.690 35.7-118.2-105.2 161.0 8.5 127.0 3.5 59 139 A D S S+ 0 0 52 -43,-1.7 2,-0.4 1,-0.3 -42,-0.2 0.797 109.5 36.1 -66.7 -28.8 10.5 129.2 5.9 60 140 A I E S-c 17 0B 0 -44,-1.2 -42,-2.5 35,-0.1 2,-0.6 -0.949 75.3-161.2-131.2 110.3 10.8 126.1 8.1 61 141 A M E -c 18 0B 9 -2,-0.4 35,-2.0 -44,-0.2 2,-0.5 -0.813 9.3-161.0 -93.1 118.4 11.1 122.6 6.6 62 142 A I E +d 96 0C 2 -44,-3.7 -41,-0.7 -2,-0.6 2,-0.3 -0.879 20.3 160.8-104.2 128.5 10.2 119.9 9.1 63 143 A S E -d 97 0C 8 33,-2.3 35,-2.5 -2,-0.5 2,-0.5 -0.975 36.7-130.9-145.8 158.8 11.4 116.4 8.3 64 144 A F E +d 98 0C 9 -2,-0.3 2,-0.3 33,-0.2 35,-0.2 -0.950 38.4 164.2-112.1 122.3 12.0 113.0 9.9 65 145 A V E -d 99 0C 22 33,-1.8 35,-3.4 -2,-0.5 36,-0.5 -0.887 26.1-130.8-137.4 165.2 15.4 111.5 9.2 66 146 A R - 0 0 138 -2,-0.3 9,-0.1 2,-0.2 33,-0.0 -0.711 57.3 -43.2-115.1 165.0 17.8 108.7 10.4 67 147 A G S S+ 0 0 23 -2,-0.2 8,-3.4 7,-0.2 2,-0.3 0.285 120.6 14.6 17.0-110.5 21.4 108.5 11.3 68 148 A D + 0 0 123 6,-0.3 -2,-0.2 1,-0.1 8,-0.0 -0.691 65.5 165.3 -88.6 138.5 23.3 110.5 8.7 69 149 A H - 0 0 10 -2,-0.3 4,-0.1 -4,-0.1 -1,-0.1 -0.145 60.1 -87.9-152.6 54.1 21.4 112.8 6.3 70 150 A R S S+ 0 0 224 1,-0.1 -2,-0.1 2,-0.1 0, 0.0 0.812 102.8 95.5 48.6 38.8 23.4 115.3 4.3 71 151 A D S S- 0 0 18 751,-0.0 752,-0.2 21,-0.0 -1,-0.1 0.422 89.4-114.6-140.1 6.7 23.3 117.9 7.0 72 152 A N S S+ 0 0 62 753,-0.1 -2,-0.1 750,-0.1 677,-0.1 0.098 98.1 79.8 85.1 -23.8 26.4 117.8 9.2 73 153 A S - 0 0 5 752,-0.2 -1,-0.1 -4,-0.1 754,-0.0 -0.606 67.1-169.0-119.3 71.8 24.6 116.8 12.4 74 154 A P - 0 0 59 0, 0.0 -6,-0.3 0, 0.0 2,-0.2 -0.167 22.6-114.4 -57.8 148.2 24.0 113.0 12.1 75 155 A F - 0 0 15 -8,-3.4 7,-0.1 -9,-0.1 5,-0.1 -0.491 10.3-133.0 -87.3 159.0 21.6 111.3 14.6 76 156 A D - 0 0 69 1,-0.4 -1,-0.1 5,-0.3 6,-0.0 0.018 43.0-114.7 -99.1 25.4 22.7 108.8 17.3 77 157 A G S S+ 0 0 14 4,-0.1 -1,-0.4 3,-0.0 25,-0.1 -0.322 77.6 5.8 73.3-162.6 20.0 106.2 16.8 78 158 A P S S+ 0 0 107 0, 0.0 24,-0.1 0, 0.0 3,-0.1 -0.255 119.0 0.9 -57.2 133.0 17.4 105.5 19.6 79 159 A G S S+ 0 0 19 1,-0.2 -3,-0.2 22,-0.1 22,-0.0 -0.291 98.9 61.5 85.4-173.1 17.7 107.8 22.6 80 160 A G S S+ 0 0 19 674,-0.1 -1,-0.2 750,-0.1 674,-0.1 -0.198 102.3 32.0 52.7-141.6 20.0 110.7 23.2 81 161 A N - 0 0 8 1,-0.2 -5,-0.3 672,-0.2 3,-0.1 -0.206 63.4-177.9 -48.0 116.5 19.6 113.5 20.7 82 162 A L - 0 0 5 1,-0.3 17,-2.7 -7,-0.1 2,-0.3 0.732 60.0 -32.6 -91.4 -24.4 15.9 113.5 19.7 83 163 A A E -E 98 0C 17 15,-0.3 -1,-0.3 -19,-0.0 2,-0.3 -0.979 50.7-144.5-178.2 172.3 16.1 116.3 17.1 84 164 A H E -E 97 0C 4 13,-1.8 13,-2.6 -2,-0.3 2,-0.3 -0.965 7.2-162.8-150.7 164.1 17.8 119.5 16.1 85 165 A A E -E 96 0C 2 -2,-0.3 2,-0.3 11,-0.2 11,-0.2 -0.967 18.5-121.9-146.2 159.3 16.8 122.8 14.4 86 166 A F - 0 0 10 9,-2.0 3,-0.1 -2,-0.3 8,-0.1 -0.817 31.2-102.5-111.1 147.7 18.7 125.6 12.7 87 167 A Q - 0 0 53 -2,-0.3 7,-1.6 1,-0.1 8,-0.3 -0.116 59.3 -70.9 -57.3 163.2 18.6 129.3 13.6 88 168 A P S S+ 0 0 10 0, 0.0 6,-0.2 0, 0.0 -1,-0.1 -0.139 82.2 98.6 -56.0 151.5 16.6 131.6 11.3 89 169 A G - 0 0 25 4,-0.3 -3,-0.1 -30,-0.2 2,-0.0 -0.892 69.0 -51.0 153.8 177.9 17.8 132.3 7.8 90 170 A P S > S- 0 0 125 0, 0.0 3,-2.3 0, 0.0 4,-0.1 -0.284 98.6 -3.2 -77.5 165.6 17.5 131.3 4.2 91 171 A G T 3 S+ 0 0 64 1,-0.3 -2,-0.1 3,-0.1 0, 0.0 -0.258 141.8 10.0 56.2-136.0 17.6 127.8 2.8 92 172 A I T > S+ 0 0 73 2,-0.1 3,-1.5 -32,-0.1 -1,-0.3 0.669 105.6 123.4 -47.7 -16.0 18.3 125.2 5.4 93 173 A G T < S+ 0 0 7 -3,-2.3 -4,-0.3 1,-0.2 -32,-0.2 -0.219 74.1 10.6 -55.4 128.3 17.8 128.1 7.9 94 174 A G T 3 S+ 0 0 0 -7,-1.6 -1,-0.2 1,-0.2 2,-0.2 0.658 94.3 148.0 79.0 18.0 15.1 127.6 10.5 95 175 A D < - 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