==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=10-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 11-JUN-99 1QIB . COMPND 2 MOLECULE: PROTEIN (GELATINASE A); . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR V.DHANARAJ,M.G.WILLIAMS,Q.-Z.YE,F.MOLINA,L.L.JOHNSON, . 161 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9123.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 82 50.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 17 10.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 2.5 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 . 11 6.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 12 7.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 33 20.5 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 0 1 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 . 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 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 88 A R 0 0 293 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -22.4 62.0 10.1 10.4 2 89 A K - 0 0 145 0, 0.0 2,-0.4 0, 0.0 120,-0.0 -0.838 360.0-116.6-122.9 158.1 64.1 13.2 11.2 3 90 A P + 0 0 73 0, 0.0 2,-0.3 0, 0.0 81,-0.0 -0.754 38.2 162.0 -95.0 135.6 66.1 15.9 9.3 4 91 A K - 0 0 118 -2,-0.4 2,-0.2 78,-0.1 118,-0.1 -0.863 43.6 -75.4-140.0 174.2 69.9 16.2 9.9 5 92 A W - 0 0 27 116,-0.4 5,-0.0 -2,-0.3 116,-0.0 -0.476 32.4-133.4 -77.0 146.5 72.9 17.8 8.0 6 93 A D S S+ 0 0 133 -2,-0.2 2,-0.3 3,-0.1 -1,-0.1 0.809 85.8 17.2 -66.4 -37.4 74.3 16.1 4.9 7 94 A K S S- 0 0 120 2,-0.1 36,-0.0 0, 0.0 -2,-0.0 -0.883 77.7-115.4-131.4 167.0 78.0 16.3 5.9 8 95 A N S S+ 0 0 61 -2,-0.3 36,-2.8 35,-0.1 2,-0.8 0.365 87.0 96.3 -86.3 4.8 79.9 16.9 9.2 9 96 A Q E +a 44 0A 114 34,-0.2 2,-0.4 36,-0.1 36,-0.2 -0.855 52.0 171.1-100.1 105.8 81.4 20.2 8.1 10 97 A I E -a 45 0A 4 34,-2.6 36,-2.3 -2,-0.8 2,-0.3 -0.919 17.5-152.6-118.2 139.1 79.2 23.1 9.3 11 98 A T E -a 46 0A 39 -2,-0.4 44,-1.4 34,-0.2 2,-0.3 -0.768 11.8-173.7-107.6 156.1 80.0 26.9 9.2 12 99 A Y E -ab 47 55A 19 34,-1.7 36,-2.0 -2,-0.3 2,-0.3 -0.991 7.8-166.6-147.4 154.8 78.7 29.7 11.5 13 100 A R E - b 0 56A 58 42,-2.0 44,-2.6 -2,-0.3 2,-1.1 -0.993 21.0-138.5-145.8 134.3 78.9 33.5 11.7 14 101 A I E + b 0 57A 13 -2,-0.3 44,-0.1 34,-0.3 42,-0.1 -0.806 30.5 169.0 -91.2 98.2 78.0 35.9 14.5 15 102 A I + 0 0 77 42,-1.4 2,-0.3 -2,-1.1 43,-0.2 0.592 62.1 34.5 -90.3 -8.9 76.2 38.6 12.5 16 103 A G - 0 0 14 41,-0.8 2,-0.2 -3,-0.1 -1,-0.1 -0.997 68.1-158.5-145.7 144.2 74.9 40.6 15.5 17 104 A Y - 0 0 90 -2,-0.3 42,-0.1 42,-0.1 -2,-0.0 -0.735 15.0-122.7-120.2 168.5 76.2 41.3 19.0 18 105 A T > - 0 0 10 -2,-0.2 3,-0.5 3,-0.1 8,-0.1 -0.774 13.8-134.5-109.6 152.1 74.8 42.3 22.3 19 106 A P T 3 S+ 0 0 115 0, 0.0 -1,-0.1 0, 0.0 76,-0.0 0.670 93.7 76.9 -76.9 -17.8 75.8 45.4 24.4 20 107 A D T 3 S+ 0 0 58 2,-0.0 2,-0.3 75,-0.0 78,-0.0 0.628 96.3 33.1 -69.5 -22.1 76.0 43.4 27.6 21 108 A L S < S- 0 0 37 -3,-0.5 -3,-0.1 79,-0.1 79,-0.1 -0.950 88.7 -93.0-137.0 156.5 79.4 41.6 27.1 22 109 A D >> - 0 0 84 -2,-0.3 4,-2.0 1,-0.1 3,-0.6 -0.419 39.2-121.5 -64.7 141.6 82.8 42.3 25.5 23 110 A P H 3> S+ 0 0 73 0, 0.0 4,-2.0 0, 0.0 5,-0.1 0.825 111.6 53.4 -54.3 -36.9 82.9 41.0 21.8 24 111 A E H 3> S+ 0 0 154 2,-0.2 4,-1.3 1,-0.2 5,-0.1 0.852 108.6 49.0 -69.3 -34.6 85.8 38.7 22.5 25 112 A T H <> S+ 0 0 47 -3,-0.6 4,-2.2 2,-0.2 -1,-0.2 0.857 109.9 52.5 -70.9 -36.9 84.0 37.1 25.5 26 113 A V H X S+ 0 0 0 -4,-2.0 4,-1.6 2,-0.2 -2,-0.2 0.935 107.3 51.3 -63.6 -46.1 80.9 36.5 23.3 27 114 A D H X S+ 0 0 30 -4,-2.0 4,-1.5 1,-0.2 -1,-0.2 0.857 112.2 48.4 -60.7 -32.7 83.0 34.8 20.6 28 115 A D H X S+ 0 0 86 -4,-1.3 4,-2.3 2,-0.2 -1,-0.2 0.865 107.4 51.9 -75.8 -40.8 84.4 32.5 23.3 29 116 A A H X S+ 0 0 0 -4,-2.2 4,-0.9 1,-0.2 -1,-0.2 0.771 112.7 48.3 -67.2 -26.6 81.1 31.6 24.9 30 117 A F H X S+ 0 0 1 -4,-1.6 4,-1.2 2,-0.2 -2,-0.2 0.828 111.4 47.2 -82.1 -37.6 79.8 30.6 21.5 31 118 A A H X S+ 0 0 39 -4,-1.5 4,-1.8 2,-0.2 3,-0.4 0.910 111.1 52.0 -70.5 -41.0 82.8 28.5 20.5 32 119 A R H X S+ 0 0 85 -4,-2.3 4,-1.0 1,-0.2 -1,-0.2 0.857 106.3 55.9 -62.9 -32.3 82.8 26.8 23.8 33 120 A A H < S+ 0 0 0 -4,-0.9 4,-0.3 1,-0.2 -1,-0.2 0.829 107.3 48.5 -67.8 -35.5 79.1 26.0 23.2 34 121 A F H >X S+ 0 0 5 -4,-1.2 4,-1.5 -3,-0.4 3,-1.1 0.835 104.7 59.8 -71.9 -37.4 79.8 24.3 19.9 35 122 A Q H 3X S+ 0 0 98 -4,-1.8 4,-1.8 1,-0.2 -1,-0.2 0.788 88.6 69.9 -63.0 -32.9 82.6 22.2 21.4 36 123 A V H 3< S+ 0 0 23 -4,-1.0 -1,-0.2 1,-0.2 -2,-0.2 0.803 110.2 36.3 -56.9 -27.3 80.3 20.5 23.9 37 124 A W H X4 S+ 0 0 0 -3,-1.1 3,-0.7 -4,-0.3 6,-0.3 0.773 113.1 55.3 -94.0 -35.1 78.8 18.7 20.8 38 125 A S H 3< S+ 0 0 24 -4,-1.5 3,-0.3 1,-0.2 -2,-0.2 0.656 98.2 65.1 -73.6 -17.2 82.0 18.3 18.7 39 126 A D T 3< S+ 0 0 92 -4,-1.8 -1,-0.2 1,-0.2 -2,-0.1 0.705 110.9 35.0 -76.8 -21.5 83.7 16.4 21.6 40 127 A V S < S+ 0 0 28 -3,-0.7 120,-0.3 -5,-0.2 -1,-0.2 0.221 121.7 41.2-116.1 11.7 81.2 13.5 21.4 41 128 A T S S- 0 0 2 -3,-0.3 118,-0.2 118,-0.2 119,-0.2 -0.918 85.1-106.0-147.5 173.0 80.6 13.4 17.6 42 129 A P S S+ 0 0 30 0, 0.0 -4,-0.1 0, 0.0 117,-0.1 0.490 74.7 131.5 -84.7 2.0 82.5 13.7 14.3 43 130 A L - 0 0 0 -6,-0.3 2,-0.4 -34,-0.1 -34,-0.2 -0.109 40.4-161.3 -55.0 143.4 81.0 17.2 13.7 44 131 A R E -a 9 0A 143 -36,-2.8 -34,-2.6 2,-0.0 2,-0.5 -0.998 2.1-159.7-132.3 133.7 83.3 20.1 12.8 45 132 A F E -a 10 0A 39 -2,-0.4 2,-0.5 -36,-0.2 -34,-0.2 -0.969 6.8-174.1-118.9 123.4 82.5 23.8 13.1 46 133 A S E -a 11 0A 60 -36,-2.3 -34,-1.7 -2,-0.5 2,-0.3 -0.962 16.9-139.9-119.8 124.4 84.3 26.6 11.2 47 134 A R E -a 12 0A 82 -2,-0.5 2,-0.3 -36,-0.2 -34,-0.2 -0.636 18.9-167.8 -84.5 131.2 83.7 30.3 11.8 48 135 A I - 0 0 50 -36,-2.0 -34,-0.3 -2,-0.3 3,-0.1 -0.884 17.5-160.2-117.5 153.9 83.6 32.6 8.8 49 136 A H S S+ 0 0 130 -2,-0.3 2,-0.3 1,-0.1 -36,-0.1 0.339 73.1 47.7-113.6 2.8 83.7 36.5 8.6 50 137 A D S S+ 0 0 141 2,-0.1 -1,-0.1 0, 0.0 2,-0.1 -0.993 97.5 7.5-148.1 138.1 82.2 37.2 5.2 51 138 A G S S- 0 0 39 -2,-0.3 2,-0.3 -3,-0.1 -3,-0.1 -0.276 97.6 -40.4 87.5-177.7 79.1 36.0 3.4 52 139 A E - 0 0 140 -2,-0.1 2,-0.3 4,-0.0 -2,-0.1 -0.626 56.3-155.7 -88.1 144.1 76.2 33.8 4.6 53 140 A A - 0 0 5 -2,-0.3 3,-0.2 -40,-0.1 -41,-0.1 -0.750 30.2-109.7-116.2 166.1 76.9 30.8 6.9 54 141 A D S S+ 0 0 66 -2,-0.3 2,-0.5 1,-0.2 -42,-0.2 0.877 113.0 34.8 -61.2 -37.3 75.0 27.6 7.7 55 142 A I E S-b 12 0A 0 -44,-1.4 -42,-2.0 35,-0.1 2,-0.6 -0.942 76.1-163.1-125.3 107.0 74.2 28.9 11.2 56 143 A M E -b 13 0A 28 -2,-0.5 35,-1.7 -3,-0.2 2,-0.4 -0.825 10.6-151.4 -91.9 123.1 73.6 32.6 11.5 57 144 A I E +bc 14 91A 0 -44,-2.6 -42,-1.4 -2,-0.6 -41,-0.8 -0.803 25.9 156.2 -97.5 136.3 73.8 33.9 15.1 58 145 A N E - c 0 92A 58 33,-2.0 35,-2.5 -2,-0.4 2,-0.3 -0.972 33.8-134.5-155.9 167.0 71.8 37.0 16.2 59 146 A F E + c 0 93A 23 -2,-0.3 2,-0.3 33,-0.2 35,-0.2 -0.881 32.9 151.0-121.4 151.3 70.1 39.0 19.0 60 147 A G E - c 0 94A 13 33,-2.1 35,-2.5 -2,-0.3 36,-0.4 -0.988 32.0-130.9-168.6 172.2 66.7 40.6 19.0 61 148 A R - 0 0 150 -2,-0.3 33,-0.0 33,-0.2 -2,-0.0 -0.985 67.6 -29.1-136.6 145.3 63.6 41.8 20.9 62 149 A W S S+ 0 0 127 -2,-0.3 2,-0.3 2,-0.1 8,-0.2 -0.060 126.8 6.6 44.9-145.5 59.9 41.1 20.3 63 150 A E + 0 0 99 6,-0.2 -2,-0.2 1,-0.1 8,-0.0 -0.506 67.6 170.9 -66.0 123.7 59.1 40.6 16.6 64 151 A H - 0 0 56 -2,-0.3 -1,-0.1 4,-0.1 -2,-0.1 0.036 65.3 -75.3-122.4 22.4 62.5 40.5 14.9 65 152 A G S S+ 0 0 71 0, 0.0 -2,-0.1 0, 0.0 0, 0.0 0.819 109.8 83.7 92.0 37.8 61.3 39.4 11.4 66 153 A D S S- 0 0 38 0, 0.0 -3,-0.0 0, 0.0 0, 0.0 0.342 93.1-107.8-151.1 9.8 60.5 35.7 11.6 67 154 A G S S+ 0 0 57 1,-0.1 -4,-0.1 0, 0.0 0, 0.0 0.162 96.1 94.5 82.2 -18.5 57.0 35.1 13.0 68 155 A Y - 0 0 150 -6,-0.1 -4,-0.1 11,-0.0 -1,-0.1 -0.812 65.4-159.0-114.0 92.0 58.2 33.9 16.3 69 156 A P - 0 0 70 0, 0.0 -6,-0.2 0, 0.0 2,-0.1 -0.074 8.2-136.6 -66.4 158.0 58.3 36.8 18.8 70 157 A F - 0 0 6 -8,-0.2 -7,-0.1 23,-0.1 -9,-0.1 -0.386 13.8-134.8-102.0-174.2 60.3 37.3 22.1 71 158 A D - 0 0 61 1,-0.4 -10,-0.1 5,-0.2 5,-0.0 -0.015 30.7-106.7-144.8 44.3 58.9 38.7 25.3 72 159 A G S S+ 0 0 8 3,-0.1 -1,-0.4 25,-0.0 24,-0.2 -0.305 82.8 6.4 69.5-155.6 60.9 41.3 27.2 73 160 A K S S- 0 0 157 22,-0.1 24,-0.1 24,-0.1 3,-0.1 -0.347 119.3 -17.1 -67.0 138.2 62.7 40.5 30.5 74 161 A D S S+ 0 0 64 1,-0.1 2,-0.6 22,-0.1 -3,-0.2 0.091 97.7 80.3 58.3-172.3 62.6 36.8 31.6 75 162 A G S S+ 0 0 59 -5,-0.1 -1,-0.1 2,-0.0 2,-0.1 -0.720 96.0 27.9 82.0-122.7 60.2 34.2 30.2 76 163 A L - 0 0 87 -2,-0.6 -5,-0.2 1,-0.1 3,-0.1 -0.462 64.3-176.2 -69.9 147.4 61.4 33.0 26.8 77 164 A L - 0 0 22 1,-0.5 17,-2.1 -2,-0.1 2,-0.3 0.778 53.7 -33.9-111.8 -45.7 65.2 33.1 26.4 78 165 A A E -D 93 0A 13 15,-0.2 -1,-0.5 -19,-0.0 2,-0.3 -0.954 48.6-152.1-165.2 174.6 66.1 32.0 22.9 79 166 A H E -D 92 0A 32 13,-1.9 13,-2.4 -2,-0.3 2,-0.3 -0.982 3.7-162.9-157.8 155.6 65.2 29.7 20.0 80 167 A A E -D 91 0A 21 -2,-0.3 2,-0.2 11,-0.2 11,-0.2 -0.976 18.3-121.9-141.2 155.2 66.7 27.8 17.1 81 168 A F - 0 0 52 9,-1.7 8,-0.3 -2,-0.3 3,-0.1 -0.665 31.8-103.2 -99.4 153.3 65.5 26.1 13.8 82 169 A A - 0 0 47 -2,-0.2 7,-0.7 1,-0.2 8,-0.2 -0.102 59.5 -64.2 -66.5 166.2 66.0 22.5 12.7 83 170 A P S S+ 0 0 14 0, 0.0 2,-0.3 0, 0.0 -1,-0.2 -0.375 87.3 115.9 -54.7 120.7 68.6 21.5 10.1 84 171 A G - 0 0 29 -30,-0.2 2,-0.1 -3,-0.1 -3,-0.1 -0.974 63.3 -79.6-173.5 172.8 67.5 23.1 6.8 85 172 A T S > S+ 0 0 141 -2,-0.3 3,-2.0 2,-0.1 2,-0.7 -0.355 95.7 4.0 -83.7 167.1 68.4 25.6 4.1 86 173 A G T 3 S+ 0 0 49 1,-0.3 -2,-0.1 -2,-0.1 4,-0.0 -0.446 143.0 5.4 65.7-107.2 68.0 29.4 4.4 87 174 A V T > S+ 0 0 76 -2,-0.7 3,-2.5 2,-0.1 -6,-0.3 0.707 101.3 112.7 -83.5 -22.5 66.8 30.0 8.0 88 175 A G T < S+ 0 0 13 -3,-2.0 -6,-0.1 1,-0.3 -4,-0.1 -0.240 82.7 22.5 -52.1 135.7 67.1 26.4 9.1 89 176 A G T 3 S+ 0 0 0 -7,-0.7 -1,-0.3 -8,-0.3 31,-0.1 0.127 89.1 137.3 92.7 -21.9 69.8 26.2 11.7 90 177 A D < - 0 0 17 -3,-2.5 -9,-1.7 -8,-0.2 2,-0.5 -0.309 39.6-153.3 -62.4 141.5 69.7 29.9 12.7 91 178 A S E -cD 57 80A 0 -35,-1.7 -33,-2.0 -11,-0.2 2,-0.4 -0.973 9.9-170.3-122.7 122.2 69.9 30.7 16.4 92 179 A H E -cD 58 79A 24 -13,-2.4 -13,-1.9 -2,-0.5 2,-0.4 -0.917 4.4-159.8-117.1 139.2 68.4 33.9 17.9 93 180 A F E -cD 59 78A 0 -35,-2.5 -33,-2.1 -2,-0.4 2,-0.5 -0.953 22.6-118.1-120.3 135.9 68.8 35.3 21.4 94 181 A D E > -c 60 0A 0 -17,-2.1 3,-0.9 -2,-0.4 -33,-0.2 -0.565 18.0-163.2 -75.3 118.3 66.5 37.8 23.3 95 182 A D T 3 S+ 0 0 42 -35,-2.5 -34,-0.2 -2,-0.5 -1,-0.1 0.278 78.1 79.9 -86.0 10.4 68.3 41.1 24.1 96 183 A D T 3 S+ 0 0 40 -36,-0.4 -1,-0.2 -24,-0.2 2,-0.2 0.453 86.2 83.9 -89.4 -0.5 65.8 42.3 26.7 97 184 A E S < S- 0 0 7 -3,-0.9 2,-0.7 -24,-0.1 -24,-0.1 -0.570 89.1-115.9 -95.2 159.6 67.7 39.9 29.0 98 185 A L - 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