==== 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-JUL-01 1EAK . COMPND 2 MOLECULE: 72 KDA TYPE IV COLLAGENASE; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR U.BERGMANN,A.TUUTTILA,K.TRYGGVASON,E.MORGUNOVA . 1693 6 28 28 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 79253.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 920 54.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 96 5.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 177 10.5 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 15 0.9 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 . 4 0.2 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 . 133 7.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 129 7.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 252 14.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 15 0.9 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 5 0 0 4 1 0 1 4 5 3 2 0 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 14 4 4 8 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 . 34 3 25 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 . 5 11 11 5 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 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 32 A S 0 0 105 0, 0.0 2,-0.1 0, 0.0 1602,-0.0 0.000 360.0 360.0 360.0 -42.6 9.4 81.5 -4.6 2 33 A P - 0 0 76 0, 0.0 2,-0.5 0, 0.0 334,-0.5 -0.371 360.0-170.3 -69.0 136.4 10.4 77.8 -5.1 3 34 A I - 0 0 111 -2,-0.1 2,-0.2 332,-0.1 334,-0.2 -0.889 25.0-179.9-123.3 93.1 11.0 75.5 -2.1 4 35 A I - 0 0 55 -2,-0.5 2,-0.6 332,-0.2 0, 0.0 -0.506 33.2-111.6 -99.5 164.6 12.5 72.4 -3.7 5 36 A K - 0 0 181 -2,-0.2 332,-0.1 332,-0.0 -1,-0.0 -0.840 39.6-126.3 -93.1 118.7 13.8 69.1 -2.4 6 37 A F > - 0 0 4 -2,-0.6 2,-2.1 1,-0.1 3,-1.5 -0.430 22.2-107.3 -69.8 144.6 17.6 68.9 -2.7 7 38 A P T 3 S+ 0 0 64 0, 0.0 349,-0.2 0, 0.0 -1,-0.1 -0.439 108.8 16.6 -67.9 80.8 19.1 66.0 -4.6 8 39 A G T 3 S+ 0 0 52 -2,-2.1 303,-0.1 1,-0.2 3,-0.1 0.316 84.3 144.1 141.3 -8.4 20.6 64.2 -1.5 9 40 A D < - 0 0 32 -3,-1.5 2,-0.3 1,-0.1 -1,-0.2 -0.300 59.2 -96.2 -72.7 148.1 18.9 65.5 1.6 10 41 A V - 0 0 125 1,-0.1 -1,-0.1 -2,-0.0 301,-0.0 -0.460 47.5-113.7 -63.6 122.3 18.1 63.4 4.7 11 42 A A - 0 0 82 -2,-0.3 2,-0.2 1,-0.1 -1,-0.1 -0.413 25.3-128.4 -71.6 116.7 14.5 62.4 4.4 12 43 A P - 0 0 106 0, 0.0 -1,-0.1 0, 0.0 2,-0.1 -0.495 25.9-123.3 -67.6 132.6 12.3 63.9 7.0 13 44 A K - 0 0 101 -2,-0.2 2,-0.2 1,-0.1 5,-0.0 -0.378 32.4 -92.4 -76.6 159.2 10.2 61.3 8.8 14 45 A T > - 0 0 66 1,-0.1 4,-2.7 -2,-0.1 5,-0.3 -0.466 31.1-114.5 -69.4 146.1 6.4 61.6 9.0 15 46 A D H > S+ 0 0 57 1,-0.2 4,-1.5 2,-0.2 -1,-0.1 0.827 119.0 49.5 -45.4 -37.3 4.8 63.4 11.9 16 47 A K H >> S+ 0 0 158 2,-0.2 4,-2.2 1,-0.2 3,-0.5 0.988 112.1 41.8 -67.9 -61.1 3.3 59.9 12.7 17 48 A E H 3> S+ 0 0 105 1,-0.3 4,-1.3 2,-0.2 -2,-0.2 0.699 114.1 57.0 -63.9 -17.0 6.5 57.8 12.5 18 49 A L H 3X S+ 0 0 19 -4,-2.7 4,-1.4 2,-0.2 -1,-0.3 0.867 108.1 45.1 -77.1 -38.9 8.2 60.7 14.3 19 50 A A H S+ 0 0 12 -4,-1.4 4,-3.1 2,-0.2 5,-0.6 0.936 114.2 40.7 -73.4 -48.6 9.7 59.5 20.2 23 54 A L H X>S+ 0 0 0 -4,-2.5 6,-1.7 1,-0.2 5,-1.4 0.860 117.9 50.4 -66.8 -34.9 7.1 58.0 22.5 24 55 A N H <5S+ 0 0 34 -4,-1.9 -2,-0.2 -5,-0.3 -1,-0.2 0.862 118.8 36.4 -70.2 -37.3 8.7 54.6 22.1 25 56 A T H <5S+ 0 0 48 -4,-2.0 -2,-0.2 -5,-0.1 -3,-0.2 0.883 134.2 20.7 -84.8 -42.1 12.2 55.9 22.9 26 57 A F H <5S+ 0 0 5 -4,-3.1 49,-2.3 -5,-0.2 50,-0.8 0.601 134.8 32.6-105.7 -14.6 11.4 58.5 25.6 27 58 A Y T <> - 0 0 121 -2,-0.5 3,-1.2 4,-0.0 4,-1.0 -0.688 66.3 -66.7 -97.5 150.9 -1.1 52.1 17.7 36 67 A L H >> S+ 0 0 124 -2,-0.3 4,-2.4 1,-0.3 3,-0.8 0.451 127.4 30.8 -0.9 -81.2 -3.8 54.8 18.2 37 68 A F H 3> S+ 0 0 137 1,-0.2 4,-1.6 2,-0.2 -1,-0.3 0.943 119.0 52.6 -62.8 -44.3 -5.4 54.2 21.5 38 69 A V H <> S+ 0 0 72 -3,-1.2 4,-0.6 1,-0.2 -1,-0.2 0.721 116.2 42.6 -64.2 -16.7 -2.3 52.6 23.2 39 70 A L H X S+ 0 0 16 -4,-0.6 3,-2.3 2,-0.2 4,-1.9 0.959 107.6 61.7 -66.8 -55.6 1.2 57.7 26.3 43 74 A L H 3X S+ 0 0 4 -4,-5.2 4,-2.2 1,-0.3 13,-0.2 0.842 104.8 52.0 -40.9 -38.4 1.0 60.7 24.0 44 75 A K H 3X S+ 0 0 65 -4,-1.4 4,-3.1 -5,-0.3 -1,-0.3 0.793 102.8 56.6 -73.5 -27.4 -0.7 62.4 27.0 45 76 A K H > - 0 0 45 -2,-1.5 4,-1.7 1,-0.1 3,-1.5 -0.332 48.7-111.2 -67.5 150.1 -1.3 68.4 17.6 60 91 A Q H 3> S+ 0 0 93 1,-0.3 4,-2.7 2,-0.2 5,-0.3 0.851 115.4 62.7 -51.9 -43.5 1.4 70.7 16.2 61 92 A N H 3> S+ 0 0 26 1,-0.2 4,-0.7 2,-0.2 -1,-0.3 0.843 110.3 44.7 -54.2 -30.2 2.4 72.1 19.6 62 93 A T H X> S+ 0 0 0 -3,-1.5 4,-2.4 2,-0.2 3,-0.5 0.948 113.7 43.6 -75.7 -55.4 3.3 68.5 20.4 63 94 A I H 3X S+ 0 0 7 -4,-1.7 4,-1.3 1,-0.3 -2,-0.2 0.731 109.7 60.5 -68.7 -19.9 5.2 67.4 17.2 64 95 A E H 3< S+ 0 0 79 -4,-2.7 4,-0.4 -5,-0.3 -1,-0.3 0.883 108.2 43.4 -71.1 -36.0 6.9 70.8 17.4 65 96 A T H X< S+ 0 0 10 -4,-0.7 3,-1.2 -3,-0.5 -2,-0.2 0.900 111.0 54.6 -74.3 -39.8 8.3 69.7 20.7 66 97 A M H 3< S+ 0 0 7 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.796 103.7 57.8 -64.3 -27.6 9.1 66.2 19.5 67 98 A R T 3< S+ 0 0 100 -4,-1.3 -1,-0.3 -5,-0.2 91,-0.2 0.599 84.1 98.2 -78.3 -18.7 11.2 67.7 16.7 68 99 A K S < S- 0 0 85 -3,-1.2 -3,-0.0 -4,-0.4 2,-0.0 -0.431 85.9 -97.6 -74.4 152.1 13.6 69.7 18.8 69 100 A P + 0 0 35 0, 0.0 325,-1.7 0, 0.0 2,-0.3 -0.322 59.2 150.5 -66.8 146.2 17.0 68.2 19.6 70 101 A R B -aB 159 393A 3 88,-2.6 90,-1.3 323,-0.3 323,-0.2 -0.986 41.3 -61.9-163.5 178.1 17.3 66.5 23.0 71 102 A C - 0 0 6 321,-2.1 91,-0.2 -2,-0.3 323,-0.0 0.116 33.4-128.5 -67.0 168.2 18.9 63.9 25.1 72 103 A G S S+ 0 0 13 89,-3.1 90,-0.2 87,-0.1 -1,-0.1 0.767 79.4 93.7 -92.3 -29.2 18.8 60.1 24.6 73 104 A N S S- 0 0 19 88,-0.4 88,-0.1 1,-0.1 91,-0.0 -0.254 80.4-107.5 -63.8 154.4 17.6 59.1 28.1 74 105 A P - 0 0 45 0, 0.0 308,-0.4 0, 0.0 -48,-0.2 -0.122 6.8-138.3 -76.9 178.2 13.8 58.7 28.6 75 106 A D S S+ 0 0 20 -49,-2.3 2,-0.3 306,-0.1 -48,-0.1 0.484 82.9 62.9-112.8 -12.2 11.4 61.0 30.5 76 107 A V S S- 0 0 46 -50,-0.8 2,-0.2 1,-0.0 306,-0.1 -0.773 88.5-102.1-113.1 159.7 9.5 58.2 32.2 77 108 A A - 0 0 62 -2,-0.3 2,-4.8 1,-0.1 -2,-0.1 -0.510 40.6-102.1 -77.1 150.7 10.6 55.5 34.7 78 109 A N S S- 0 0 117 1,-0.2 -1,-0.1 -2,-0.2 -50,-0.1 -0.205 81.6 -73.6 -65.2 55.2 11.2 52.0 33.6 79 110 A Y S S- 0 0 206 -2,-4.8 -1,-0.2 1,-0.1 -51,-0.0 0.880 102.9 -38.3 42.9 49.8 7.7 51.5 35.1 80 111 A N - 0 0 118 1,-0.1 2,-0.5 2,-0.1 -1,-0.1 0.976 60.3-133.3 68.3 96.6 9.3 51.7 38.6 81 112 A F - 0 0 72 1,-0.2 -1,-0.1 3,-0.1 -2,-0.1 -0.750 21.4-174.1 -70.0 87.5 12.7 50.2 39.2 82 113 A F S S+ 0 0 184 -2,-0.5 -1,-0.2 1,-0.1 -2,-0.1 0.857 87.5 43.3 -48.7 -56.0 11.9 48.4 42.5 83 114 A P S S+ 0 0 101 0, 0.0 2,-0.4 0, 0.0 -1,-0.1 0.343 110.4 81.0 -67.1 -6.2 15.6 47.5 42.8 84 115 A R + 0 0 128 2,-0.0 -3,-0.1 1,-0.0 -4,-0.0 -0.976 16.5 123.2-136.0 148.5 16.8 51.0 41.7 85 116 A K - 0 0 163 -2,-0.4 -1,-0.0 81,-0.1 -3,-0.0 -0.447 60.6-129.3-178.8 82.7 17.5 54.5 42.7 86 117 A P + 0 0 33 0, 0.0 2,-0.3 0, 0.0 81,-0.1 0.082 35.1 163.0 -56.1 157.1 21.2 54.9 41.8 87 118 A K - 0 0 140 79,-0.1 2,-0.8 327,-0.0 292,-0.1 -0.949 41.5-116.1-162.7 154.9 23.9 56.2 43.9 88 119 A W - 0 0 12 -2,-0.3 2,-0.5 290,-0.2 290,-0.0 -0.899 21.9-146.8-101.5 106.3 27.7 56.2 43.9 89 120 A D S S+ 0 0 147 -2,-0.8 2,-0.3 2,-0.1 -1,-0.1 0.321 84.7 49.5 -55.2 16.2 28.6 54.2 47.0 90 121 A K S S- 0 0 68 -2,-0.5 -2,-0.1 1,-0.0 36,-0.1 -0.971 72.4-140.8-150.0 158.4 31.6 56.6 47.1 91 122 A N S S+ 0 0 74 -2,-0.3 36,-2.2 1,-0.1 2,-0.6 0.392 89.7 75.3-103.0 1.1 32.3 60.3 46.8 92 123 A Q E +c 127 0B 127 34,-0.2 2,-0.3 2,-0.0 36,-0.2 -0.941 65.1 178.7-116.6 101.2 35.4 59.8 44.7 93 124 A I E -c 128 0B 0 34,-2.2 36,-0.6 -2,-0.6 2,-0.4 -0.727 15.0-148.8-102.3 155.8 34.4 58.8 41.1 94 125 A T E -c 129 0B 35 -2,-0.3 44,-2.9 34,-0.2 43,-0.9 -0.986 13.3-172.3-126.0 138.0 36.8 58.1 38.2 95 126 A Y E -cd 130 138B 20 34,-1.3 36,-2.0 -2,-0.4 2,-0.3 -0.802 5.6-160.4-121.6 171.2 36.2 58.8 34.5 96 127 A R E - d 0 139B 35 42,-1.8 44,-1.8 -2,-0.3 2,-1.0 -0.929 21.7-130.9-158.3 125.5 38.0 58.0 31.3 97 128 A I E + d 0 140B 9 -2,-0.3 44,-0.2 34,-0.3 3,-0.1 -0.659 27.3 178.0 -75.0 100.0 37.8 59.4 27.8 98 129 A I - 0 0 48 42,-3.9 2,-0.3 -2,-1.0 43,-0.2 0.732 66.3 -7.7 -73.6 -31.1 37.5 56.2 25.7 99 130 A G - 0 0 3 41,-0.6 2,-0.2 -3,-0.1 -1,-0.2 -0.957 66.2-142.6-159.2 166.0 37.2 58.1 22.4 100 131 A Y - 0 0 17 182,-0.4 42,-0.2 -2,-0.3 5,-0.1 -0.677 18.0-109.9-125.3-170.2 36.9 61.6 21.0 101 132 A T > - 0 0 2 -2,-0.2 3,-1.2 3,-0.2 8,-0.1 -0.982 17.5-136.4-125.3 134.6 35.3 63.7 18.3 102 133 A P T 3 S+ 0 0 8 0, 0.0 202,-2.5 0, 0.0 -1,-0.1 0.816 97.3 76.6 -58.5 -29.4 37.2 65.3 15.3 103 134 A D T 3 S+ 0 0 17 200,-0.2 2,-0.3 77,-0.2 86,-0.3 0.770 102.6 36.1 -50.2 -36.5 35.2 68.5 15.8 104 135 A L S < S- 0 0 1 -3,-1.2 -3,-0.2 86,-0.1 86,-0.1 -0.933 87.5-114.4-120.0 150.6 37.3 69.4 18.8 105 136 A D > - 0 0 12 -2,-0.3 4,-2.0 198,-0.1 3,-0.3 -0.509 41.1-102.3 -77.8 158.2 41.0 68.9 19.6 106 137 A P H > S+ 0 0 18 0, 0.0 4,-2.8 0, 0.0 5,-0.2 0.827 118.1 52.0 -53.2 -42.8 41.8 66.5 22.5 107 138 A E H > S+ 0 0 122 2,-0.2 4,-2.7 1,-0.2 5,-0.2 0.911 107.6 49.9 -64.0 -46.6 42.5 69.2 25.0 108 139 A T H > S+ 0 0 5 -3,-0.3 4,-2.9 2,-0.2 -1,-0.2 0.970 115.8 44.3 -55.9 -54.6 39.3 71.2 24.5 109 140 A V H >X S+ 0 0 0 -4,-2.0 4,-2.1 1,-0.2 3,-0.7 0.993 112.0 51.3 -50.5 -63.1 37.3 68.0 24.9 110 141 A D H 3X S+ 0 0 20 -4,-2.8 4,-1.1 1,-0.3 -1,-0.2 0.834 113.7 47.2 -40.9 -45.6 39.3 66.9 27.9 111 142 A D H 3X S+ 0 0 79 -4,-2.7 4,-3.3 2,-0.2 -1,-0.3 0.901 108.6 52.9 -67.2 -43.5 38.6 70.3 29.4 112 143 A A H X S+ 0 0 4 -4,-1.4 4,-1.6 -5,-0.3 3,-1.2 0.853 105.0 58.9 -67.9 -40.8 32.2 67.5 36.0 118 149 A Q H 3X S+ 0 0 108 -4,-2.1 4,-2.6 1,-0.3 5,-0.2 0.891 90.7 73.5 -58.8 -36.0 33.1 70.5 38.2 119 150 A V H 3< S+ 0 0 16 -4,-1.5 -1,-0.3 1,-0.3 4,-0.2 0.821 108.7 30.8 -42.0 -45.3 29.6 71.7 37.8 120 151 A W H X4 S+ 0 0 0 -3,-1.2 3,-0.7 -4,-0.4 4,-0.4 0.699 114.1 62.3 -89.0 -25.8 28.4 69.0 40.2 121 152 A S H 3< S+ 0 0 22 -4,-1.6 3,-0.4 1,-0.2 -2,-0.2 0.768 95.3 63.4 -69.8 -23.4 31.6 69.0 42.2 122 153 A D T 3< S+ 0 0 92 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.731 113.6 30.5 -72.0 -26.2 31.0 72.6 43.2 123 154 A V S < S+ 0 0 27 -3,-0.7 294,-0.4 -5,-0.2 -1,-0.2 0.219 119.4 48.6-116.6 8.3 27.8 71.7 45.1 124 155 A T S S- 0 0 0 -3,-0.4 293,-0.2 -4,-0.4 292,-0.2 -0.930 83.0-110.3-138.6 172.0 28.5 68.2 46.3 125 156 A P S S+ 0 0 22 0, 0.0 -4,-0.1 0, 0.0 291,-0.1 0.724 79.9 122.9 -72.3 -21.8 31.2 66.2 48.1 126 157 A L - 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