==== 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 29-APR-06 2DOI . COMPND 2 MOLECULE: ANGIOSTATIN; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR S.E.CNUDDE,M.PROROK,F.J.CASTELLINO,J.H.GEIGER . 380 5 13 12 1 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 21386.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 168 44.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 8 2.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 44 11.6 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 3 0.8 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 0.3 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 . 22 5.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 34 8.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 40 10.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 1 0.3 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 1 0 1 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 0 0 PARALLEL BRIDGES PER LADDER . 14 0 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 0 ANTIPARALLEL BRIDGES PER LADDER . 0 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 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 X L 0 0 163 0, 0.0 2,-0.1 0, 0.0 126,-0.0 0.000 360.0 360.0 360.0 134.3 -9.2 47.8 3.0 2 82 X S + 0 0 74 1,-0.1 11,-0.9 12,-0.1 125,-0.0 -0.129 360.0 179.2 -71.7 121.6 -7.1 48.2 -0.3 3 83 X E + 0 0 102 10,-0.1 2,-0.3 11,-0.1 12,-0.2 0.139 60.7 60.2 -99.6 15.6 -4.4 50.8 -0.6 4 84 X a S S- 0 0 22 75,-0.1 2,-0.3 10,-0.1 9,-0.2 -0.908 78.0-107.2-141.1 161.9 -3.0 50.2 -4.2 5 85 X K B -a 81 0A 16 75,-3.0 77,-1.1 74,-0.3 2,-0.3 -0.649 20.4-168.9-102.1 147.4 -4.5 50.3 -7.7 6 86 X T > - 0 0 53 -2,-0.3 3,-1.8 75,-0.2 5,-0.2 -0.981 62.8 -26.6-122.5 146.9 -5.3 47.5 -10.1 7 87 X G T 3 S- 0 0 4 258,-1.2 259,-0.0 -2,-0.3 257,-0.0 0.020 127.1 -20.3 45.4-160.0 -6.2 48.2 -13.8 8 88 X N T 3 S- 0 0 43 1,-0.1 -1,-0.2 54,-0.1 51,-0.2 0.501 96.8-107.9 -56.4 -5.2 -7.6 51.7 -14.5 9 89 X G X + 0 0 1 -3,-1.8 3,-2.9 53,-0.2 46,-0.4 0.327 69.1 141.8 88.4 -2.9 -8.7 52.1 -10.8 10 90 X K T 3 S+ 0 0 91 1,-0.3 45,-0.3 49,-0.1 -3,-0.1 0.873 86.2 37.3 -20.4 -65.9 -12.6 51.8 -10.7 11 91 X N T 3 S+ 0 0 132 -5,-0.2 -1,-0.3 43,-0.1 -9,-0.1 0.466 86.7 130.6 -83.8 3.7 -12.4 49.9 -7.4 12 92 X Y < + 0 0 6 -3,-2.9 43,-0.2 -6,-0.2 -9,-0.1 -0.280 19.6 160.6 -51.5 141.7 -9.5 51.9 -6.0 13 93 X R + 0 0 71 -11,-0.9 -1,-0.1 -9,-0.2 -10,-0.1 0.168 23.2 124.1-155.9 23.2 -10.3 53.0 -2.5 14 94 X G - 0 0 0 -10,-0.1 -11,-0.1 39,-0.1 -10,-0.1 0.302 68.3-106.5 -58.3-160.0 -7.0 53.9 -0.8 15 95 X T + 0 0 70 -12,-0.2 2,-0.7 37,-0.1 36,-0.1 -0.093 55.3 149.4-133.7 42.4 -6.6 57.4 0.7 16 96 X M - 0 0 69 37,-0.1 37,-1.9 1,-0.1 -2,-0.0 -0.656 21.3-174.6 -74.8 116.1 -4.3 59.3 -1.5 17 97 X S + 0 0 40 -2,-0.7 8,-3.0 35,-0.2 2,-0.3 0.079 54.9 69.8-100.8 25.8 -5.4 63.0 -1.2 18 98 X K B S-B 24 0B 19 6,-0.3 60,-0.6 60,-0.2 6,-0.2 -0.943 74.0-117.2-153.4 135.5 -3.0 64.5 -4.0 19 99 X T B > -C 77 0C 5 4,-1.5 3,-1.3 -2,-0.3 58,-0.4 0.134 55.2 -83.8 -45.1 167.9 -2.4 64.5 -7.7 20 100 X K T 3 S+ 0 0 135 56,-3.9 -1,-0.2 1,-0.2 57,-0.1 0.474 125.9 52.1 -54.7 -1.4 0.8 63.1 -9.1 21 101 X N T 3 S- 0 0 99 55,-0.3 2,-0.4 2,-0.2 -1,-0.2 0.084 119.0 -89.2-133.4 10.8 2.5 66.5 -8.4 22 102 X G S < S+ 0 0 56 -3,-1.3 -2,-0.1 1,-0.3 -3,-0.0 -0.476 79.7 131.8 106.2 -56.5 2.0 67.5 -4.8 23 103 X I - 0 0 54 -2,-0.4 -4,-1.5 -5,-0.2 -1,-0.3 0.038 56.9-129.2 -45.3 120.4 -1.3 69.4 -5.1 24 104 X T B -B 18 0B 76 -6,-0.2 44,-2.1 -3,-0.1 -6,-0.3 -0.406 32.5-111.3 -60.7 144.1 -3.7 68.3 -2.5 25 105 X b B -D 67 0D 4 -8,-3.0 2,-0.4 42,-0.2 42,-0.3 -0.434 18.4-110.2 -85.4 158.8 -7.1 67.5 -4.0 26 106 X Q - 0 0 7 40,-2.8 40,-0.5 -2,-0.1 -1,-0.1 -0.696 40.1-106.2 -75.1 133.3 -10.5 69.1 -3.8 27 107 X K > - 0 0 116 -2,-0.4 3,-0.9 1,-0.2 24,-0.3 -0.313 31.8-122.9 -54.8 149.3 -13.1 67.2 -1.8 28 108 X W T 3 S+ 0 0 1 22,-2.3 -1,-0.2 1,-0.3 23,-0.1 0.622 107.3 60.7 -80.3 -12.4 -15.5 65.8 -4.3 29 109 X S T 3 S+ 0 0 78 21,-0.4 -1,-0.3 10,-0.2 2,-0.2 -0.124 90.2 94.7-108.2 37.0 -18.4 67.5 -2.8 30 110 X S < - 0 0 33 -3,-0.9 -4,-0.1 1,-0.1 4,-0.0 -0.789 53.9-156.5-127.7 171.0 -17.1 71.1 -3.3 31 111 X T + 0 0 107 -2,-0.2 -1,-0.1 1,-0.2 -3,-0.0 0.570 56.9 96.6-127.9 -18.3 -17.4 73.9 -5.9 32 112 X S S S+ 0 0 101 1,-0.1 -1,-0.2 3,-0.0 2,-0.1 -0.964 87.0 19.8-120.3 137.0 -14.4 76.2 -5.5 33 113 X P S S- 0 0 47 0, 0.0 2,-0.2 0, 0.0 -1,-0.1 -0.909 140.0 -2.0 -73.6 -32.3 -11.9 76.3 -7.0 34 114 X H - 0 0 18 33,-0.2 32,-0.0 39,-0.1 -4,-0.0 -0.595 63.4-120.8-115.1 174.5 -13.8 74.3 -9.7 35 115 X R - 0 0 189 -2,-0.2 -4,-0.1 -3,-0.0 2,-0.1 -0.990 38.2-144.8-117.1 118.1 -17.1 72.8 -10.3 36 116 X P - 0 0 23 0, 0.0 3,-0.2 0, 0.0 -8,-0.0 -0.292 17.6-138.0 -86.1 161.7 -16.9 69.1 -11.0 37 117 X R S S+ 0 0 205 1,-0.2 2,-0.4 -2,-0.1 -2,-0.0 0.550 93.5 55.7 -96.5 -6.4 -18.7 66.6 -13.2 38 118 X F + 0 0 34 4,-0.1 -1,-0.2 -10,-0.1 19,-0.0 -0.694 66.5 176.1-126.0 89.3 -19.0 63.8 -10.6 39 119 X S > - 0 0 40 -2,-0.4 4,-2.5 -3,-0.2 -10,-0.2 -0.586 46.4-119.3 -86.5 143.1 -20.6 64.9 -7.3 40 120 X P T 4 S+ 0 0 38 0, 0.0 -1,-0.2 0, 0.0 6,-0.1 0.840 121.9 62.2 -50.3 -23.6 -21.2 62.3 -4.6 41 121 X A T 4 S+ 0 0 77 2,-0.1 7,-0.1 1,-0.1 -12,-0.0 0.942 111.7 29.7 -52.9 -85.7 -24.7 63.6 -5.5 42 122 X T T 4 S+ 0 0 76 1,-0.2 -1,-0.1 2,-0.1 -4,-0.1 0.778 133.1 29.5 -47.9 -49.3 -24.6 62.4 -9.1 43 123 X H S >< S+ 0 0 73 -4,-2.5 3,-2.4 1,-0.2 5,-0.5 -0.308 80.1 167.3-117.7 54.3 -22.4 59.3 -9.0 44 124 X P T 3 + 0 0 83 0, 0.0 4,-0.4 0, 0.0 -1,-0.2 0.718 67.8 40.1 -35.2 -66.0 -23.2 58.3 -5.4 45 125 X S T 3 S+ 0 0 113 1,-0.2 2,-1.8 2,-0.1 -2,-0.0 0.507 87.3 102.9 -82.2 5.2 -21.9 54.8 -4.9 46 126 X E S < S- 0 0 54 -3,-2.4 -1,-0.2 1,-0.2 3,-0.1 -0.242 103.2-101.6 -79.6 51.9 -18.7 55.7 -6.9 47 127 X G + 0 0 15 -2,-1.8 2,-2.5 1,-0.2 -1,-0.2 0.628 66.9 160.8 32.5 22.7 -16.5 56.0 -3.9 48 128 X L + 0 0 2 -5,-0.5 2,-0.3 -4,-0.4 -1,-0.2 -0.386 26.2 131.6 -67.6 73.2 -16.8 59.9 -4.3 49 129 X E > - 0 0 153 -2,-2.5 3,-0.7 -3,-0.1 0, 0.0 -0.886 56.5 -16.0-128.3 154.9 -15.8 60.7 -0.7 50 130 X E T 3 S- 0 0 93 -2,-0.3 -22,-2.3 1,-0.2 -21,-0.4 -0.198 101.4 -64.6 58.5-147.8 -13.4 63.1 1.1 51 131 X N T 3 S+ 0 0 23 -24,-0.3 -1,-0.2 -23,-0.1 -26,-0.1 0.218 94.2 134.1-111.7 9.7 -10.8 64.6 -1.2 52 132 X Y < - 0 0 62 -3,-0.7 -35,-0.2 1,-0.1 2,-0.2 0.060 63.5 -85.9 -60.6 166.8 -9.2 61.2 -1.9 53 133 X c + 0 0 0 -37,-1.9 2,-0.3 12,-0.1 12,-0.2 -0.478 54.5 161.7 -78.1 146.4 -8.2 59.9 -5.4 54 134 X R B -E 64 0E 18 10,-1.2 10,-2.1 -2,-0.2 3,-0.1 -0.987 39.4-138.6-157.4 156.6 -10.8 58.1 -7.6 55 135 X N + 0 0 4 -46,-0.4 -43,-0.1 -2,-0.3 10,-0.1 -0.764 36.1 152.5-124.0 92.0 -11.6 57.1 -11.1 56 136 X P S S+ 0 0 6 0, 0.0 -1,-0.1 0, 0.0 -9,-0.0 0.862 72.0 51.7 -78.2 -47.1 -15.3 57.8 -11.7 57 137 X D S S- 0 0 70 -3,-0.1 -2,-0.0 1,-0.1 -47,-0.0 0.468 112.4-111.8 -84.5 -3.2 -15.3 58.3 -15.4 58 138 X N - 0 0 93 1,-0.1 -49,-0.1 -50,-0.1 -1,-0.1 0.952 48.2-166.2 78.9 41.8 -13.4 55.1 -16.1 59 139 X D - 0 0 12 -51,-0.2 3,-0.4 1,-0.1 -49,-0.1 -0.352 24.2-135.1 -66.9 148.8 -10.4 57.0 -17.2 60 140 X P S S+ 0 0 103 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.850 107.0 49.9 -72.5 -33.9 -7.6 55.1 -19.0 61 141 X Q S S- 0 0 126 1,-0.3 -2,-0.1 166,-0.0 -52,-0.0 0.443 108.3-142.1 -92.2 1.5 -5.0 56.7 -17.0 62 142 X G + 0 0 0 -3,-0.4 -1,-0.3 14,-0.1 -53,-0.2 -0.168 50.5 28.9 81.2-171.3 -6.7 55.9 -13.8 63 143 X P + 0 0 3 0, 0.0 14,-1.9 0, 0.0 2,-0.3 0.285 63.9 155.2 -35.4 146.5 -7.3 57.5 -10.4 64 144 X W E -EF 54 76E 8 -10,-2.1 -10,-1.2 12,-0.3 12,-0.2 -0.974 23.8-157.7-176.6 150.1 -7.5 61.2 -10.2 65 145 X b E - F 0 75E 0 10,-1.9 10,-2.4 -2,-0.3 2,-0.4 -0.715 31.0-101.0-132.2 178.2 -8.7 64.2 -8.4 66 146 X Y E - F 0 74E 9 -40,-0.5 -40,-2.8 8,-0.3 2,-0.3 -0.829 44.7-125.7 -98.4 148.6 -9.5 67.8 -8.9 67 147 X T B -D 25 0D 3 6,-2.6 -42,-0.2 -2,-0.4 -33,-0.2 -0.687 8.7-129.0-102.6 149.3 -6.8 70.0 -7.5 68 148 X T S S+ 0 0 63 -44,-2.1 -43,-0.1 -2,-0.3 -1,-0.1 0.407 85.1 103.8 -74.9 5.3 -7.2 72.8 -5.1 69 149 X D > - 0 0 56 3,-0.3 3,-1.5 4,-0.2 -2,-0.2 -0.797 65.3-154.6 -93.7 111.2 -5.2 74.8 -7.6 70 150 X P T 3 S+ 0 0 82 0, 0.0 -1,-0.2 0, 0.0 3,-0.1 0.717 90.2 62.2 -46.2 -24.7 -7.6 77.0 -9.5 71 151 X E T 3 S+ 0 0 160 1,-0.2 2,-0.5 2,-0.1 -3,-0.0 0.663 105.4 38.2 -86.5 -28.7 -5.1 76.9 -12.4 72 152 X K S < S- 0 0 109 -3,-1.5 -3,-0.3 1,-0.2 -5,-0.2 -0.997 78.2-156.0-123.5 125.8 -5.0 73.3 -13.3 73 153 X R - 0 0 116 -2,-0.5 -6,-2.6 1,-0.3 2,-0.3 0.972 65.0 -9.4 -67.1 -87.9 -8.5 71.9 -13.0 74 154 X Y E +F 66 0E 78 -8,-0.3 2,-0.3 -6,-0.1 -1,-0.3 -0.769 65.6 177.3-111.3 161.5 -8.1 68.3 -12.4 75 155 X D E -F 65 0E 24 -10,-2.4 -10,-1.9 -2,-0.3 2,-0.1 -0.941 29.1 -97.3-151.5 171.0 -5.1 66.0 -12.6 76 156 X Y E -F 64 0E 44 -2,-0.3 -56,-3.9 -12,-0.2 2,-0.3 -0.347 33.4-135.2 -85.9 167.3 -4.1 62.3 -12.0 77 157 X c B -C 19 0C 13 -14,-1.9 2,-0.2 -58,-0.4 -58,-0.2 -0.925 14.0-110.8-129.2 155.9 -2.5 60.8 -9.0 78 158 X D + 0 0 114 -60,-0.6 -60,-0.2 -2,-0.3 2,-0.1 -0.561 41.2 159.5 -77.4 150.3 0.2 58.4 -8.1 79 159 X I - 0 0 15 -2,-0.2 -74,-0.3 -59,-0.0 -75,-0.1 -0.562 43.1-111.2-179.6 94.0 -0.8 55.1 -6.7 80 160 X L - 0 0 55 -77,-0.2 -75,-3.0 -2,-0.1 4,-0.0 0.075 31.9-124.7 -37.8 126.7 1.3 51.9 -6.6 81 161 X E B -a 5 0A 17 -77,-0.2 -75,-0.2 149,-0.1 148,-0.0 -0.255 34.7-112.1 -58.6 166.3 -0.1 49.2 -8.9 82 162 X a S S+ 0 0 19 -77,-1.1 -1,-0.1 -78,-0.1 14,-0.1 0.274 87.3 55.9 -86.7-138.6 -0.7 46.0 -6.9 83 163 X E S S- 0 0 31 12,-0.3 12,-0.4 1,-0.1 13,-0.2 0.040 84.6-132.7 36.6-163.8 1.3 42.7 -7.4 84 164 X E - 0 0 18 11,-0.2 2,-3.6 10,-0.1 12,-0.2 0.669 26.9-160.7-178.3 3.0 4.9 43.8 -6.9 85 165 X E S S- 0 0 2 9,-0.0 2,-0.3 75,-0.0 -1,-0.1 -0.004 82.4 -4.2 69.0 -77.6 8.1 43.2 -8.6 86 166 X d S S- 0 0 0 -2,-3.6 2,-0.3 74,-0.1 76,-0.2 -0.949 83.5 -92.6-165.8 148.4 10.6 44.1 -5.8 87 167 X M B -g 162 0F 4 74,-2.3 76,-1.1 -2,-0.3 2,-0.8 -0.604 31.5-130.4 -86.5 144.4 10.1 45.3 -2.3 88 168 X H S > S- 0 0 68 -2,-0.3 3,-2.7 74,-0.2 2,-1.4 -0.842 73.7 -38.0 -89.4 108.2 10.2 49.0 -1.6 89 169 X e T 3 S- 0 0 78 -2,-0.8 -2,-0.1 1,-0.3 79,-0.0 -0.615 130.6 -26.3 95.5 -92.8 12.5 49.7 1.3 90 170 X S T 3 S- 0 0 26 -2,-1.4 -1,-0.3 47,-0.0 51,-0.1 -0.035 95.1-123.7-133.1 8.7 11.9 46.8 3.6 91 171 X G < + 0 0 0 -3,-2.7 -2,-0.2 1,-0.2 46,-0.0 0.928 43.0 174.3 58.3 61.9 8.5 46.6 2.1 92 172 X E S S+ 0 0 88 -4,-0.4 -1,-0.2 1,-0.2 45,-0.1 0.515 91.1 49.5 -62.2 -6.9 6.1 46.9 4.9 93 173 X N S S+ 0 0 76 -5,-0.3 -1,-0.2 43,-0.1 -2,-0.1 0.848 72.4 145.3-104.2 -44.2 3.9 46.9 1.9 94 174 X Y + 0 0 2 -6,-0.2 43,-0.3 1,-0.1 -10,-0.1 0.514 11.0 167.6 -15.5 114.1 5.0 43.9 -0.4 95 175 X D + 0 0 32 -12,-0.4 -12,-0.3 -13,-0.1 -11,-0.2 0.208 36.1 127.2-119.5 14.6 1.9 42.5 -2.1 96 176 X G - 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