==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=12-OCT-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE/HYDROLASE INHIBITOR 20-SEP-11 3TVC . COMPND 2 MOLECULE: COLLAGENASE 3; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR E.A.STURA,V.DIVE,L.DEVEL,B.CZARNY,F.BEAU,L.VERA,E.CASSAR-LAJ . 169 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9281.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 89 52.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 17 10.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 6 3.6 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 . 0 0.0 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-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 . 1 0.6 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 . 13 7.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 14 8.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 32 18.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 1 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 0 0 0 0 0 0 1 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 1 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 PARALLEL BRIDGES PER LADDER . 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 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 1 0 0 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 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 1 104 A Y 0 0 99 0, 0.0 2,-0.3 0, 0.0 129,-0.1 0.000 360.0 360.0 360.0 168.8 -11.0 -26.1 15.8 2 105 A N - 0 0 75 126,-0.3 126,-3.4 135,-0.0 2,-0.2 -0.999 360.0-148.6-141.5 143.2 -10.6 -29.9 15.3 3 106 A V B -A 127 0A 42 -2,-0.3 124,-0.2 124,-0.3 126,-0.1 -0.673 40.2 -86.7-103.2 163.3 -7.6 -32.2 14.9 4 107 A F > - 0 0 27 122,-1.7 3,-2.1 4,-0.3 4,-0.3 -0.463 53.8 -92.6 -68.5 141.8 -7.6 -35.4 12.9 5 108 A P G > S+ 0 0 96 0, 0.0 3,-0.6 0, 0.0 -1,-0.1 -0.201 117.3 28.5 -50.2 141.2 -8.7 -38.6 14.8 6 109 A R G 3 S- 0 0 227 1,-0.2 3,-0.2 -3,-0.1 -2,-0.1 0.321 116.0-104.7 80.7 -6.0 -5.8 -40.4 16.3 7 110 A T G < - 0 0 78 -3,-2.1 2,-0.3 1,-0.2 -1,-0.2 0.950 45.1-158.2 47.8 52.6 -4.1 -37.0 16.6 8 111 A L < + 0 0 69 -3,-0.6 2,-0.3 -4,-0.3 -4,-0.3 -0.484 25.2 168.0 -55.3 120.5 -1.9 -37.9 13.6 9 112 A K - 0 0 105 -2,-0.3 2,-0.2 -3,-0.2 117,-0.1 -0.999 41.6-103.6-150.9 149.1 1.1 -35.5 14.0 10 113 A W - 0 0 21 -2,-0.3 5,-0.0 115,-0.3 115,-0.0 -0.440 21.5-164.3 -66.7 130.1 4.6 -34.7 12.9 11 114 A S S S+ 0 0 123 -2,-0.2 2,-0.3 2,-0.0 -1,-0.2 0.779 74.4 62.3 -87.8 -29.0 7.3 -35.8 15.4 12 115 A K - 0 0 95 1,-0.1 3,-0.0 2,-0.0 -2,-0.0 -0.735 66.4-155.6 -95.7 148.0 10.0 -33.7 13.8 13 116 A M S S+ 0 0 66 -2,-0.3 36,-3.2 1,-0.1 2,-1.0 0.646 78.0 79.2 -92.5 -19.1 9.7 -29.9 13.6 14 117 A N E +b 49 0B 108 34,-0.2 2,-0.3 36,-0.1 36,-0.2 -0.743 65.8 178.4 -96.6 94.2 12.1 -29.5 10.6 15 118 A L E -b 50 0B 0 34,-3.1 36,-2.6 -2,-1.0 2,-0.3 -0.644 16.5-150.7 -99.8 151.8 10.0 -30.4 7.5 16 119 A T E -b 51 0B 33 -2,-0.3 44,-2.5 34,-0.2 2,-0.3 -0.845 13.9-174.2-114.5 154.9 11.0 -30.4 3.9 17 120 A Y E -bc 52 60B 10 34,-2.3 36,-2.5 -2,-0.3 2,-0.3 -0.917 6.8-169.2-141.9 167.1 8.8 -29.8 0.9 18 121 A R E - c 0 61B 58 42,-2.0 44,-2.9 -2,-0.3 2,-0.8 -0.923 22.4-134.5-161.1 132.4 9.1 -29.9 -2.9 19 122 A I E - c 0 62B 9 -2,-0.3 44,-0.2 34,-0.2 3,-0.1 -0.833 19.5-168.7 -90.0 112.0 6.9 -28.8 -5.8 20 123 A V - 0 0 68 42,-3.4 2,-0.3 -2,-0.8 43,-0.2 0.816 65.6 -8.0 -75.0 -34.7 6.9 -31.7 -8.2 21 124 A N S S- 0 0 61 41,-0.6 2,-0.3 0, 0.0 -1,-0.1 -0.939 71.7-116.7-154.7 176.9 5.2 -29.9 -11.1 22 125 A Y - 0 0 65 -2,-0.3 6,-0.1 41,-0.1 42,-0.0 -0.859 14.4-118.3-129.6 153.8 3.6 -26.5 -11.9 23 126 A T > - 0 0 2 -2,-0.3 3,-0.7 1,-0.1 8,-0.1 -0.684 22.0-138.5 -81.9 140.2 0.3 -25.0 -13.0 24 127 A P T 3 S+ 0 0 108 0, 0.0 -1,-0.1 0, 0.0 4,-0.1 0.686 92.7 77.7 -66.6 -20.8 0.5 -23.1 -16.4 25 128 A D T 3 S+ 0 0 70 75,-0.1 2,-0.3 2,-0.0 78,-0.0 0.731 99.8 31.3 -67.4 -25.1 -1.7 -20.3 -14.9 26 129 A M S < S- 0 0 18 -3,-0.7 2,-0.1 79,-0.1 79,-0.0 -0.835 93.1 -97.8-128.6 161.2 1.1 -18.7 -12.9 27 130 A T > - 0 0 89 -2,-0.3 4,-2.3 1,-0.1 5,-0.2 -0.418 36.9-112.6 -72.2 159.7 4.8 -18.4 -13.5 28 131 A H H > S+ 0 0 118 1,-0.2 4,-2.9 2,-0.2 5,-0.2 0.913 120.1 52.6 -59.9 -43.7 7.1 -20.9 -11.7 29 132 A S H > S+ 0 0 85 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.933 110.0 48.7 -56.7 -45.7 8.5 -18.1 -9.5 30 133 A E H > S+ 0 0 66 2,-0.2 4,-1.9 1,-0.2 -2,-0.2 0.873 112.7 47.0 -64.5 -39.2 4.9 -17.0 -8.6 31 134 A V H X S+ 0 0 0 -4,-2.3 4,-2.1 2,-0.2 5,-0.2 0.935 110.9 51.4 -66.4 -48.2 3.8 -20.6 -7.7 32 135 A E H X S+ 0 0 29 -4,-2.9 4,-2.0 1,-0.2 -2,-0.2 0.870 111.4 48.9 -54.5 -39.7 7.0 -21.2 -5.6 33 136 A K H X S+ 0 0 112 -4,-1.9 4,-2.7 -5,-0.2 -1,-0.2 0.878 107.1 53.4 -74.4 -41.3 6.3 -18.0 -3.7 34 137 A A H X S+ 0 0 10 -4,-1.9 4,-2.9 2,-0.2 -2,-0.2 0.936 112.1 45.6 -53.7 -50.1 2.6 -18.7 -3.0 35 138 A F H X S+ 0 0 0 -4,-2.1 4,-2.1 1,-0.2 -2,-0.2 0.934 112.6 50.9 -63.9 -43.8 3.5 -22.1 -1.4 36 139 A K H X S+ 0 0 136 -4,-2.0 4,-2.1 -5,-0.2 -1,-0.2 0.903 111.9 46.9 -55.7 -44.1 6.4 -20.5 0.5 37 140 A K H X S+ 0 0 87 -4,-2.7 4,-1.4 1,-0.2 -2,-0.2 0.897 109.0 55.4 -67.3 -41.4 4.0 -17.8 1.9 38 141 A A H X S+ 0 0 0 -4,-2.9 4,-0.6 1,-0.2 -1,-0.2 0.863 108.3 48.2 -55.0 -41.4 1.4 -20.5 2.7 39 142 A F H >X S+ 0 0 5 -4,-2.1 4,-2.3 1,-0.2 3,-1.3 0.928 105.0 58.7 -67.9 -44.2 4.1 -22.3 4.8 40 143 A K H 3X S+ 0 0 111 -4,-2.1 4,-1.5 1,-0.3 -1,-0.2 0.793 93.9 67.3 -54.7 -32.7 5.1 -19.1 6.6 41 144 A V H 3< S+ 0 0 17 -4,-1.4 -1,-0.3 1,-0.2 4,-0.2 0.900 112.5 31.5 -49.8 -44.3 1.4 -18.8 7.8 42 145 A W H X< S+ 0 0 0 -3,-1.3 3,-0.9 -4,-0.6 6,-0.2 0.851 116.2 53.4 -89.9 -41.5 1.9 -21.9 10.0 43 146 A S H >< S+ 0 0 32 -4,-2.3 3,-0.5 1,-0.2 -3,-0.2 0.667 98.0 68.6 -68.4 -16.8 5.6 -21.7 10.9 44 147 A D T 3< S+ 0 0 96 -4,-1.5 -1,-0.2 -5,-0.3 122,-0.2 0.752 108.1 35.7 -71.9 -23.5 5.2 -18.1 12.2 45 148 A V T < S+ 0 0 33 -3,-0.9 -1,-0.2 -4,-0.2 -2,-0.2 0.183 123.0 41.2-117.9 14.1 3.1 -19.3 15.1 46 149 A T S < S- 0 0 6 -3,-0.5 121,-0.4 119,-0.2 120,-0.2 -0.854 84.7-106.8-143.8-178.5 4.9 -22.6 15.8 47 150 A P S S+ 0 0 38 0, 0.0 2,-0.2 0, 0.0 -4,-0.1 0.240 77.6 122.7 -96.4 11.2 8.4 -24.1 15.9 48 151 A L - 0 0 0 -6,-0.2 2,-0.4 -34,-0.1 -34,-0.2 -0.506 45.8-160.8 -72.1 141.5 7.8 -25.9 12.6 49 152 A N E -b 14 0B 83 -36,-3.2 -34,-3.1 -2,-0.2 2,-0.5 -0.982 5.4-156.0-125.6 139.4 10.3 -25.2 9.8 50 153 A F E -b 15 0B 33 -2,-0.4 2,-0.5 -36,-0.2 -34,-0.2 -0.954 11.6-174.9-120.2 117.6 9.8 -25.7 6.1 51 154 A T E -b 16 0B 82 -36,-2.6 -34,-2.3 -2,-0.5 2,-0.3 -0.937 23.8-126.7-115.7 127.8 12.8 -26.2 3.8 52 155 A R E -b 17 0B 137 -2,-0.5 2,-0.3 -36,-0.2 -34,-0.2 -0.538 23.8-148.2 -65.0 129.5 12.6 -26.5 0.0 53 156 A L - 0 0 57 -36,-2.5 -34,-0.2 -2,-0.3 5,-0.1 -0.815 9.9-141.5-100.0 147.5 14.4 -29.6 -1.3 54 157 A H S S- 0 0 162 -2,-0.3 2,-0.3 1,-0.2 -1,-0.1 0.884 75.2 -26.0 -74.8 -39.5 16.1 -29.6 -4.7 55 158 A D S S+ 0 0 101 2,-0.1 -1,-0.2 -37,-0.0 2,-0.0 -0.893 97.9 54.3-158.3-174.8 15.1 -33.1 -5.6 56 159 A G S S- 0 0 39 -2,-0.3 2,-0.6 -3,-0.1 -3,-0.1 -0.286 97.2 -28.5 73.9-161.4 14.2 -36.5 -4.3 57 160 A I - 0 0 146 4,-0.0 2,-0.1 -2,-0.0 -2,-0.1 -0.826 59.5-169.0-100.7 114.5 11.4 -37.1 -1.8 58 161 A A - 0 0 6 -2,-0.6 3,-0.3 -5,-0.1 -41,-0.2 -0.452 37.3-109.1 -88.3 165.8 10.5 -34.3 0.6 59 162 A D S S+ 0 0 32 1,-0.2 2,-0.7 -2,-0.1 -42,-0.2 0.932 114.3 40.6 -59.9 -44.3 8.2 -34.6 3.7 60 163 A I E S-c 17 0B 0 -44,-2.5 -42,-2.0 35,-0.1 2,-0.5 -0.851 76.2-168.2-113.1 96.5 5.6 -32.5 1.8 61 164 A M E -c 18 0B 27 -2,-0.7 35,-2.0 -3,-0.3 2,-0.4 -0.723 8.4-163.8 -84.4 129.4 5.3 -33.3 -1.9 62 165 A I E +cd 19 96B 0 -44,-2.9 -42,-3.4 -2,-0.5 -41,-0.6 -0.946 17.6 155.1-119.4 132.2 3.2 -30.8 -3.7 63 166 A S E - d 0 97B 25 33,-1.9 35,-2.2 -2,-0.4 2,-0.3 -0.984 33.6-127.0-151.5 163.3 1.8 -31.3 -7.2 64 167 A F E + d 0 98B 13 -2,-0.3 2,-0.3 33,-0.2 35,-0.2 -0.800 33.0 158.8-109.2 156.2 -0.9 -30.3 -9.6 65 168 A G E - d 0 99B 11 33,-2.0 35,-3.6 -2,-0.3 36,-0.5 -0.981 27.0-139.1-164.3 163.1 -3.3 -32.7 -11.4 66 169 A I - 0 0 83 -2,-0.3 33,-0.0 2,-0.2 10,-0.0 -0.965 64.2 -34.6-131.0 153.7 -6.6 -33.0 -13.2 67 170 A K S S+ 0 0 104 -2,-0.3 8,-1.4 7,-0.1 2,-0.5 0.032 131.2 17.3 37.9-136.0 -9.3 -35.7 -13.1 68 171 A E S S+ 0 0 134 6,-0.2 -2,-0.2 1,-0.1 4,-0.1 -0.500 77.7 162.8 -60.5 114.2 -7.6 -39.0 -12.6 69 172 A H - 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0 0 87 -2,-0.2 -5,-0.3 1,-0.1 3,-0.1 -0.358 61.7-178.5 -55.9 133.1 -13.0 -29.7 -5.2 82 185 A L - 0 0 21 1,-0.4 17,-2.7 -7,-0.1 2,-0.3 0.744 59.5 -27.8-104.1 -31.4 -10.0 -27.4 -5.4 83 186 A A E -E 98 0B 14 15,-0.3 -1,-0.4 -19,-0.0 2,-0.3 -0.969 52.1-146.0-168.9 166.0 -7.3 -29.4 -3.7 84 187 A H E -E 97 0B 39 13,-2.7 13,-3.6 -2,-0.3 2,-0.3 -0.987 8.7-164.4-151.8 159.7 -6.7 -32.2 -1.2 85 188 A A E -E 96 0B 21 -2,-0.3 11,-0.2 11,-0.3 10,-0.1 -0.969 18.3-124.9-143.3 146.0 -4.0 -33.1 1.3 86 189 A F - 0 0 42 9,-2.5 8,-1.3 -2,-0.3 3,-0.1 -0.772 32.3-112.0 -96.9 141.4 -3.0 -36.1 3.4 87 190 A P - 0 0 43 0, 0.0 7,-0.9 0, 0.0 8,-0.2 -0.110 55.4 -64.1 -62.1 163.7 -2.7 -36.0 7.2 88 191 A P S S+ 0 0 8 0, 0.0 -79,-0.1 0, 0.0 37,-0.1 -0.194 86.1 97.6 -54.3 137.8 0.8 -36.3 8.9 89 192 A G S S- 0 0 27 -3,-0.1 -3,-0.0 35,-0.1 -79,-0.0 -0.938 71.5 -57.3 167.4-176.5 2.5 -39.6 8.4 90 193 A P S > S+ 0 0 103 0, 0.0 3,-3.0 0, 0.0 2,-0.1 -0.096 101.9 3.2 -72.7 179.8 5.2 -41.3 6.2 91 194 A N T 3 S+ 0 0 126 1,-0.3 -2,-0.1 3,-0.1 4,-0.1 -0.143 141.7 10.4 47.9-102.5 5.1 -41.6 2.4 92 195 A Y T > S+ 0 0 146 -2,-0.1 3,-1.5 2,-0.1 -6,-0.3 0.537 98.1 117.6 -92.3 -1.2 2.0 -39.7 1.3 93 196 A G T < S+ 0 0 9 -3,-3.0 -32,-0.3 1,-0.2 3,-0.1 -0.309 82.1 17.2 -53.3 140.9 1.3 -38.1 4.6 94 197 A G T 3 S+ 0 0 0 -8,-1.3 -1,-0.2 -7,-0.9 30,-0.2 0.186 92.5 136.8 81.0 -21.2 1.6 -34.4 4.3 95 198 A D < - 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