==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=6-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 02-DEC-01 1KI0 . COMPND 2 MOLECULE: ANGIOSTATIN; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR M.C.ABAD,R.K.ARNI,D.K.GRELLA,F.J.CASTELLINO,A.TULINSKY, . 253 1 10 10 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14072.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 96 37.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 10 4.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 30 11.9 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 3 1.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 3 1.2 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 0.4 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 . 12 4.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 26 10.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 3 1.2 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+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 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 0 0 PARALLEL BRIDGES PER LADDER . 9 0 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 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 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 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 L 0 0 101 0, 0.0 14,-0.2 0, 0.0 11,-0.0 0.000 360.0 360.0 360.0 174.1 40.1 44.8 56.3 2 82 A S - 0 0 53 1,-0.1 11,-0.5 12,-0.1 12,-0.1 -0.237 360.0-145.5 -52.5 125.7 38.3 42.7 58.9 3 83 A E S S+ 0 0 88 11,-0.1 77,-0.4 10,-0.1 2,-0.3 0.133 73.5 71.8 -86.7 23.9 34.5 42.9 58.6 4 84 A a S S- 0 0 8 75,-0.1 9,-0.3 10,-0.0 2,-0.3 -0.834 70.2-135.4-127.9 169.4 33.7 42.7 62.3 5 85 A K B -a 81 0A 39 75,-2.6 77,-2.7 -2,-0.3 2,-0.3 -0.833 4.7-149.4-128.4 165.4 34.2 45.2 65.1 6 86 A T > - 0 0 98 -2,-0.3 3,-2.5 75,-0.2 5,-0.3 -0.966 65.0 -22.0-131.9 145.7 35.4 45.5 68.8 7 87 A G T 3 S- 0 0 52 -2,-0.3 -2,-0.1 1,-0.3 0, 0.0 -0.268 131.5 -19.9 52.3-141.2 34.3 47.8 71.6 8 88 A N T 3 S- 0 0 45 54,-0.1 -1,-0.3 1,-0.1 51,-0.1 0.252 95.2-111.1 -81.8 16.2 32.6 50.9 70.1 9 89 A G X + 0 0 1 -3,-2.5 3,-2.1 53,-0.2 46,-0.3 0.687 65.0 151.6 66.6 21.2 34.3 50.2 66.7 10 90 A K T 3 S+ 0 0 45 1,-0.3 45,-0.3 -4,-0.3 -1,-0.1 0.844 81.0 36.8 -50.7 -34.6 36.7 53.2 66.9 11 91 A N T 3 S+ 0 0 141 -5,-0.3 -1,-0.3 43,-0.1 2,-0.2 0.241 85.0 134.0-106.4 15.4 39.1 51.2 64.8 12 92 A Y < + 0 0 8 -3,-2.1 43,-0.2 -6,-0.1 -7,-0.1 -0.454 21.3 169.6 -66.0 129.3 36.6 49.4 62.5 13 93 A R + 0 0 73 -11,-0.5 -1,-0.1 -9,-0.3 -10,-0.1 -0.013 31.3 125.9-133.4 31.5 37.6 49.4 58.8 14 94 A G - 0 0 0 39,-0.1 -11,-0.1 -10,-0.1 -12,-0.1 -0.026 67.9-107.3 -76.5-173.7 35.2 46.9 57.3 15 95 A T + 0 0 66 -14,-0.2 2,-0.2 37,-0.1 36,-0.1 0.114 58.0 143.8-112.0 25.8 32.9 47.6 54.3 16 96 A M + 0 0 65 37,-0.2 37,-2.7 1,-0.1 63,-0.0 -0.472 15.7 170.2 -63.4 131.8 29.4 47.8 55.9 17 97 A S + 0 0 38 35,-0.2 8,-3.2 -2,-0.2 2,-0.3 0.164 46.8 77.9-132.7 15.2 27.5 50.5 53.9 18 98 A K B S-B 24 0B 86 6,-0.3 60,-0.4 60,-0.1 6,-0.2 -0.936 76.1-119.2-124.2 149.0 23.8 50.3 55.1 19 99 A T > - 0 0 6 4,-2.6 3,-2.6 -2,-0.3 58,-0.3 -0.328 41.1 -92.8 -79.4 169.5 22.4 51.6 58.3 20 100 A K T 3 S+ 0 0 98 56,-2.9 57,-0.1 1,-0.3 -1,-0.1 0.638 130.0 53.2 -58.5 -12.4 20.8 49.3 60.8 21 101 A N T 3 S- 0 0 113 55,-0.3 -1,-0.3 2,-0.1 56,-0.1 0.144 124.1-102.0-108.9 17.7 17.5 50.1 59.1 22 102 A G S < S+ 0 0 41 -3,-2.6 2,-0.4 1,-0.2 -2,-0.1 0.612 71.8 144.1 76.2 13.7 18.8 49.2 55.6 23 103 A I - 0 0 42 1,-0.1 -4,-2.6 46,-0.0 -1,-0.2 -0.700 54.7-113.5 -87.6 137.6 19.4 52.7 54.3 24 104 A T B -B 18 0B 56 -2,-0.4 44,-2.3 -6,-0.2 -6,-0.3 -0.483 34.4-115.9 -68.3 133.1 22.4 53.1 52.0 25 105 A b B -C 67 0C 2 -8,-3.2 42,-0.3 42,-0.2 2,-0.3 -0.355 23.6-119.9 -67.6 150.2 25.1 55.3 53.5 26 106 A Q - 0 0 3 40,-2.9 40,-0.4 1,-0.1 2,-0.2 -0.635 37.6 -98.8 -85.3 147.3 26.0 58.6 51.9 27 107 A K > - 0 0 92 -2,-0.3 3,-1.8 5,-0.2 24,-0.3 -0.492 23.1-132.4 -69.9 139.0 29.6 59.0 50.7 28 108 A W T 3 S+ 0 0 2 22,-1.9 -1,-0.1 1,-0.3 23,-0.1 0.687 108.0 53.6 -62.7 -21.6 31.8 60.9 53.2 29 109 A S T 3 S+ 0 0 101 21,-0.4 2,-0.3 10,-0.1 -1,-0.3 0.200 96.8 87.7 -97.1 11.2 33.2 63.0 50.3 30 110 A S < - 0 0 40 -3,-1.8 -4,-0.0 1,-0.1 4,-0.0 -0.800 58.8-160.7-111.3 152.4 29.7 63.9 49.2 31 111 A T + 0 0 106 -2,-0.3 -1,-0.1 4,-0.1 -3,-0.1 0.152 52.0 120.0-119.7 18.6 27.6 66.9 50.4 32 112 A S S S- 0 0 85 1,-0.2 -5,-0.2 -5,-0.2 -1,-0.0 -1.000 81.2 -0.8-137.1 136.2 24.2 65.6 49.3 33 113 A P S S+ 0 0 49 0, 0.0 2,-0.3 0, 0.0 -1,-0.2 -0.997 139.6 22.5 -79.8 -3.5 21.7 65.0 50.9 34 114 A H S S- 0 0 22 39,-0.1 32,-0.1 33,-0.1 -4,-0.0 -0.933 70.1-125.5-126.3 151.8 23.6 66.0 54.0 35 115 A R - 0 0 197 -2,-0.3 -4,-0.1 2,-0.0 2,-0.1 -0.825 33.9-136.6 -93.4 113.8 26.7 68.1 54.8 36 116 A P - 0 0 28 0, 0.0 3,-0.1 0, 0.0 -8,-0.0 -0.359 14.8-159.7 -68.3 147.1 29.2 66.0 56.8 37 117 A R S S+ 0 0 159 1,-0.2 2,-0.4 -2,-0.1 -2,-0.0 0.410 87.3 50.9-100.7 -7.0 31.0 67.4 59.8 38 118 A F + 0 0 24 -10,-0.1 -1,-0.2 5,-0.0 19,-0.0 -0.997 68.6 135.9-133.7 124.7 33.6 64.6 59.3 39 119 A S >> - 0 0 30 -2,-0.4 4,-2.9 -3,-0.1 3,-0.9 -0.955 65.5 -87.7-157.8 168.8 35.3 63.9 56.0 40 120 A P T 34 S+ 0 0 44 0, 0.0 7,-0.1 0, 0.0 -11,-0.1 0.792 118.8 62.3 -53.7 -34.7 38.8 63.1 54.8 41 121 A A T 34 S+ 0 0 96 1,-0.2 -12,-0.0 2,-0.2 -3,-0.0 0.873 122.1 22.7 -61.8 -36.2 39.9 66.8 54.3 42 122 A T T <4 S+ 0 0 89 -3,-0.9 -1,-0.2 1,-0.2 -4,-0.0 0.650 137.1 31.0-103.4 -22.9 39.4 67.3 58.0 43 123 A H >< + 0 0 55 -4,-2.9 3,-1.5 1,-0.1 5,-0.5 -0.484 63.3 159.0-138.1 64.4 39.7 63.8 59.5 44 124 A P T 3 S+ 0 0 107 0, 0.0 3,-0.3 0, 0.0 -1,-0.1 0.538 73.1 56.6 -64.4 -11.2 42.2 61.9 57.2 45 125 A S T 3 S+ 0 0 88 1,-0.2 -2,-0.0 2,-0.1 0, 0.0 0.182 87.4 77.2-107.6 14.9 43.0 59.3 59.9 46 126 A E S < S- 0 0 31 -3,-1.5 9,-0.3 -7,-0.1 -1,-0.2 0.397 100.7-118.3-102.4 0.0 39.4 58.1 60.5 47 127 A G + 0 0 14 -3,-0.3 2,-2.6 1,-0.2 5,-0.1 0.811 45.7 171.1 67.8 34.4 39.1 55.9 57.4 48 128 A L + 0 0 5 -5,-0.5 2,-0.3 -20,-0.1 -1,-0.2 -0.336 20.4 154.5 -78.2 64.0 36.3 57.9 55.9 49 129 A E > - 0 0 112 -2,-2.6 3,-2.1 -3,-0.1 -21,-0.1 -0.649 57.5 -33.5 -93.5 147.3 36.5 56.0 52.6 50 130 A E T 3 S- 0 0 91 -2,-0.3 -22,-1.9 1,-0.2 -21,-0.4 -0.175 113.1 -45.8 47.2-120.0 33.6 55.6 50.1 51 131 A N T 3 S+ 0 0 29 -24,-0.3 -1,-0.2 -23,-0.1 -26,-0.2 -0.131 90.3 146.5-133.8 36.0 30.4 55.3 52.1 52 132 A Y < - 0 0 62 -3,-2.1 -35,-0.2 -5,-0.1 2,-0.2 -0.427 55.5-101.4 -76.7 150.1 31.5 52.8 54.8 53 133 A c + 0 0 0 -37,-2.7 2,-0.3 -2,-0.1 12,-0.2 -0.487 53.7 162.4 -69.9 134.1 30.3 53.0 58.4 54 134 A R B -D 64 0D 8 10,-2.6 10,-2.9 -2,-0.2 3,-0.1 -0.910 43.0-132.7-146.1 171.2 32.8 54.6 60.8 55 135 A N > + 0 0 2 -46,-0.3 3,-1.3 -2,-0.3 10,-0.1 -0.575 34.5 159.7-127.8 68.4 33.1 56.2 64.2 56 136 A P T 3 S+ 0 0 10 0, 0.0 -1,-0.1 0, 0.0 -11,-0.1 0.747 77.6 44.9 -63.5 -20.8 35.0 59.4 63.6 57 137 A D T 3 S- 0 0 64 -3,-0.1 -47,-0.0 -19,-0.0 -2,-0.0 0.185 111.1-111.0-110.7 17.5 33.8 61.0 66.8 58 138 A N < - 0 0 96 -3,-1.3 -48,-0.1 1,-0.2 -49,-0.1 0.868 45.5-172.5 57.6 40.6 34.2 58.1 69.3 59 139 A D > - 0 0 19 1,-0.2 3,-2.2 3,-0.1 -1,-0.2 -0.461 25.0-138.6 -64.1 127.9 30.4 57.6 69.6 60 140 A P T 3 S+ 0 0 113 0, 0.0 -1,-0.2 0, 0.0 -2,-0.0 0.750 102.1 65.5 -63.3 -18.9 29.7 55.1 72.5 61 141 A Q T 3 S- 0 0 123 1,-0.2 -2,-0.1 -52,-0.0 -52,-0.0 0.393 107.7-128.4 -82.9 5.6 27.0 53.6 70.2 62 142 A G < + 0 0 0 -3,-2.2 -1,-0.2 14,-0.1 -53,-0.2 -0.205 54.4 2.8 82.9-173.2 29.7 52.5 67.7 63 143 A P + 0 0 1 0, 0.0 14,-2.3 0, 0.0 2,-0.3 -0.047 63.9 161.7 -50.6 142.8 30.0 53.0 63.9 64 144 A W E -DE 54 76D 6 -10,-2.9 -10,-2.6 12,-0.3 2,-0.3 -0.856 19.9-149.7-150.0 178.5 27.5 55.1 61.9 65 145 A b E - E 0 75D 0 10,-2.1 10,-1.9 -2,-0.3 2,-0.2 -0.991 28.7-103.1-155.0 155.6 27.1 56.9 58.6 66 146 A Y E - E 0 74D 6 -40,-0.4 -40,-2.9 -2,-0.3 8,-0.3 -0.602 52.1-130.7 -72.7 149.4 25.4 59.9 57.1 67 147 A T B -C 25 0C 0 6,-1.5 -42,-0.2 5,-0.6 5,-0.1 -0.760 13.8-128.9-111.2 156.7 22.4 58.5 55.1 68 148 A T S S+ 0 0 66 -44,-2.3 -43,-0.1 -2,-0.3 5,-0.1 0.412 84.3 100.5 -75.6 3.2 21.1 58.9 51.6 69 149 A D > - 0 0 57 3,-0.4 3,-2.0 -45,-0.2 -2,-0.2 -0.826 69.4-148.2 -93.3 116.0 17.6 59.6 53.1 70 150 A P T 3 S+ 0 0 82 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 0.726 99.1 52.7 -52.6 -26.1 17.0 63.4 53.2 71 151 A E T 3 S+ 0 0 168 1,-0.2 2,-0.5 2,-0.0 -3,-0.0 0.578 104.7 57.4 -88.8 -13.4 14.9 62.8 56.3 72 152 A K < - 0 0 91 -3,-2.0 -5,-0.6 1,-0.2 -3,-0.4 -0.916 61.5-171.5-122.7 102.9 17.6 60.9 58.3 73 153 A R S S- 0 0 94 -2,-0.5 -6,-1.5 1,-0.2 2,-0.3 0.926 70.3 -18.6 -59.6 -49.7 20.9 62.8 58.7 74 154 A Y E -E 66 0D 86 -8,-0.3 2,-0.3 -49,-0.1 -8,-0.2 -0.973 61.4-173.3-152.1 165.6 22.9 59.8 60.1 75 155 A D E -E 65 0D 9 -10,-1.9 -10,-2.1 -2,-0.3 2,-0.1 -0.977 30.4 -98.2-160.9 155.9 22.3 56.4 61.8 76 156 A Y E -E 64 0D 22 -2,-0.3 -56,-2.9 -12,-0.3 -12,-0.3 -0.340 37.8-132.4 -71.9 151.2 24.2 53.6 63.4 77 157 A c - 0 0 10 -14,-2.3 2,-0.7 -58,-0.3 -58,-0.2 -0.717 12.4-117.6-108.4 162.9 25.1 50.5 61.5 78 158 A D + 0 0 120 -60,-0.4 2,-0.4 -2,-0.3 -60,-0.1 -0.887 42.6 172.0-102.1 110.0 24.7 46.8 62.3 79 159 A I - 0 0 15 -2,-0.7 2,-0.1 -16,-0.1 -75,-0.1 -0.965 37.9-106.1-127.6 137.4 28.0 45.2 62.5 80 160 A L - 0 0 60 -77,-0.4 -75,-2.6 -2,-0.4 2,-0.3 -0.345 32.1-132.3 -56.6 123.7 29.2 41.8 63.5 81 161 A E B -a 5 0A 109 -77,-0.2 -75,-0.2 -2,-0.1 2,-0.1 -0.657 37.0-102.8 -76.1 137.3 30.9 41.9 66.9 82 162 A a - 0 0 24 -77,-2.7 2,-0.7 -2,-0.3 12,-0.1 -0.424 26.0-150.2 -67.1 137.3 34.2 39.9 66.5 83 163 A E B +f 94 0E 11 10,-0.6 12,-2.9 1,-0.2 13,-0.3 -0.855 43.8 134.0-109.6 94.2 34.3 36.4 68.0 84 164 A E + 0 0 80 -2,-0.7 13,-0.4 11,-0.2 -1,-0.2 0.810 69.0 39.0-108.0 -49.1 37.9 35.7 69.0 85 165 A E S S- 0 0 167 11,-0.1 2,-0.2 1,-0.1 -2,-0.1 0.885 131.3 -4.8 -72.3 -38.3 38.0 34.2 72.6 86 166 A d S S- 0 0 34 74,-0.1 2,-0.3 10,-0.0 9,-0.3 -0.813 73.5-117.6-142.6 178.4 35.0 32.0 72.1 87 167 A M B -g 162 0F 2 74,-2.5 76,-3.1 -2,-0.2 2,-0.3 -0.863 14.4-136.3-124.7 161.5 32.3 31.4 69.5 88 168 A H > - 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