==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-JUL-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER BLOOD CLOTTING 16-JUL-13 4BXW . COMPND 2 MOLECULE: FACTOR XA; . SOURCE 2 ORGANISM_SCIENTIFIC: PSEUDONAJA TEXTILIS; . AUTHOR B.C.LECHTENBERG,T.A.MURRAY-RUST,D.J.D.JOHNSON,T.E.ADAMS, . 583 9 16 12 4 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 24531.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 353 60.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 7 1.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 164 28.1 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 6 1.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 6 1.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 6 1.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), 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 . 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 . 40 6.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 54 9.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 49 8.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 1.0 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 1 6 2 1 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 . 2 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 0 PARALLEL BRIDGES PER LADDER . 12 6 6 6 4 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 ANTIPARALLEL BRIDGES PER LADDER . 4 0 1 0 1 0 0 1 0 0 0 0 0 1 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 89 A a 0 0 35 0, 0.0 2,-0.4 0, 0.0 4,-0.3 0.000 360.0 360.0 360.0 50.2 0.2 13.4 13.1 2 90 A R + 0 0 87 3,-0.2 2,-0.5 1,-0.1 0, 0.0 -0.173 360.0 111.5 -89.0 41.1 -0.6 10.2 11.0 3 91 A V S S- 0 0 77 -2,-0.4 3,-0.5 1,-0.1 4,-0.3 -0.662 112.2 -42.9-113.2 73.6 -0.4 8.1 14.1 4 92 A D S > S- 0 0 119 -2,-0.5 3,-0.7 1,-0.2 4,-0.2 0.659 105.7 -68.4 77.4 17.2 -4.0 7.0 14.6 5 93 A N G > S- 0 0 7 -4,-0.3 3,-1.9 1,-0.2 -1,-0.2 0.763 83.3 -69.9 72.5 28.5 -5.0 10.6 13.8 6 94 A G G 3 S- 0 0 12 -3,-0.5 -1,-0.2 1,-0.3 -2,-0.2 0.735 81.8 -74.6 63.5 23.9 -3.5 12.0 17.0 7 95 A N G < S+ 0 0 105 -3,-0.7 2,-0.4 -4,-0.3 -1,-0.3 0.765 99.5 143.8 57.1 26.0 -6.3 10.2 18.9 8 96 A b < - 0 0 1 -3,-1.9 -1,-0.2 -4,-0.2 24,-0.2 -0.791 55.6-136.5-103.8 142.8 -8.5 13.0 17.6 9 97 A W S S- 0 0 90 22,-2.4 23,-0.1 -2,-0.4 -1,-0.1 0.806 85.2 -2.9 -68.8 -32.9 -12.1 12.5 16.5 10 98 A H S S+ 0 0 1 9,-0.5 2,-0.3 21,-0.4 10,-0.2 0.374 117.1 11.8-123.3-104.0 -11.9 14.6 13.4 11 99 A F E -A 19 0A 16 8,-0.6 8,-2.1 2,-0.0 2,-0.5 -0.672 53.7-162.1 -94.1 137.3 -9.1 16.7 11.8 12 100 A a E -A 18 0A 11 -2,-0.3 2,-0.5 6,-0.2 6,-0.2 -0.953 4.1-171.9-122.1 114.8 -5.5 16.5 13.0 13 101 A K E A 17 0A 51 4,-3.3 4,-4.6 -2,-0.5 -2,-0.0 -0.922 360.0 360.0-106.4 122.3 -3.0 19.2 12.1 14 102 A H 0 0 182 -2,-0.5 4,-0.0 2,-0.3 -2,-0.0 -0.536 360.0 360.0 -72.8 360.0 0.6 18.5 13.0 15 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 16 107 A I 0 0 116 0, 0.0 2,-0.4 0, 0.0 -2,-0.3 0.000 360.0 360.0 360.0 149.4 -0.2 18.2 17.2 17 108 A Q E -A 13 0A 133 -4,-4.6 -4,-3.3 2,-0.0 2,-0.3 -0.929 360.0-158.0-114.9 138.5 -3.2 20.5 16.7 18 109 A b E +A 12 0A 14 -2,-0.4 2,-0.2 -6,-0.2 -6,-0.2 -0.904 17.9 154.2-124.3 149.3 -6.8 19.2 16.7 19 110 A S E -A 11 0A 51 -8,-2.1 -8,-0.6 -2,-0.3 -9,-0.5 -0.760 24.5-125.6-150.0-168.3 -10.1 20.5 15.4 20 111 A c - 0 0 25 -2,-0.2 3,-0.1 -10,-0.2 4,-0.1 -0.896 32.1 -81.0-145.8 170.1 -13.6 19.4 14.2 21 112 A A > - 0 0 4 -2,-0.3 3,-1.4 1,-0.2 142,-0.0 -0.338 67.1 -71.5 -72.1 157.0 -16.0 19.7 11.3 22 113 A E T 3 S+ 0 0 177 142,-0.3 19,-0.5 1,-0.3 -1,-0.2 -0.205 125.5 25.7 -45.6 133.6 -18.2 22.8 10.8 23 114 A G T 3 S+ 0 0 33 1,-0.3 13,-2.4 17,-0.1 14,-0.6 0.662 103.2 109.1 80.1 17.2 -20.9 22.8 13.5 24 115 A Y E < -B 35 0B 23 -3,-1.4 2,-0.4 11,-0.2 -1,-0.3 -0.914 56.7-142.7-125.2 155.2 -18.8 20.7 15.9 25 116 A L E -B 34 0B 98 9,-2.9 9,-3.0 -2,-0.3 2,-0.3 -0.956 17.4-122.6-124.0 132.4 -17.1 21.6 19.1 26 117 A L E -B 33 0B 78 -2,-0.4 7,-0.3 7,-0.2 -6,-0.1 -0.534 33.3-121.7 -74.6 132.6 -13.7 20.4 20.4 27 118 A G > - 0 0 22 5,-3.3 3,-0.8 -2,-0.3 -1,-0.1 0.075 25.5-101.7 -63.8 178.5 -13.8 18.7 23.8 28 119 A E T 3 S+ 0 0 119 1,-0.2 -1,-0.1 2,-0.1 -2,-0.1 0.682 121.0 62.7 -75.6 -17.9 -11.9 19.8 26.9 29 120 A D T 3 S- 0 0 99 1,-0.0 -1,-0.2 3,-0.0 -2,-0.0 0.508 109.1-123.0 -85.1 -4.9 -9.5 17.0 26.3 30 121 A G S < S+ 0 0 26 -3,-0.8 -2,-0.1 2,-0.1 -12,-0.1 0.676 99.0 69.6 70.8 17.8 -8.4 18.6 23.0 31 122 A H S S+ 0 0 71 -23,-0.1 -22,-2.4 -13,-0.1 -21,-0.4 0.612 76.1 80.9-128.0 -42.8 -9.4 15.4 21.2 32 123 A S - 0 0 16 -24,-0.2 -5,-3.3 -23,-0.1 2,-0.4 -0.295 55.8-155.7 -76.3 153.9 -13.2 14.9 21.2 33 124 A c E -B 26 0B 7 -7,-0.3 2,-0.3 -3,-0.0 -7,-0.2 -0.991 12.1-172.0-130.6 125.0 -15.7 16.6 19.0 34 125 A V E -B 25 0B 79 -9,-3.0 -9,-2.9 -2,-0.4 2,-0.3 -0.830 34.9 -91.4-117.3 155.6 -19.3 17.1 20.0 35 126 A A E -B 24 0B 47 -2,-0.3 -11,-0.2 -11,-0.2 -12,-0.1 -0.468 28.6-163.1 -68.4 122.9 -22.4 18.3 18.1 36 127 A G S S+ 0 0 42 -13,-2.4 2,-0.2 -2,-0.3 -12,-0.2 0.794 70.0 1.1 -75.7 -30.5 -22.8 22.1 18.4 37 128 A G S > S- 0 0 39 -14,-0.6 3,-0.6 1,-0.0 0, 0.0 -0.766 78.2 -95.5-143.7-172.0 -26.4 22.1 17.3 38 129 A N T 3 S+ 0 0 125 -2,-0.2 118,-0.1 1,-0.2 -3,-0.0 0.715 119.6 49.7 -85.0 -23.1 -29.3 20.0 16.2 39 130 A F T 3 S+ 0 0 98 116,-0.1 -1,-0.2 121,-0.0 3,-0.1 0.030 77.6 149.3-104.9 26.2 -28.6 20.5 12.5 40 131 A S X - 0 0 7 -3,-0.6 3,-1.1 1,-0.1 -17,-0.1 -0.376 52.8-102.8 -62.3 135.8 -24.9 19.6 12.7 41 132 A d T 3 S+ 0 0 13 -19,-0.5 2,-0.4 1,-0.2 121,-0.3 -0.005 97.9 26.0 -55.5 161.0 -23.6 18.0 9.5 42 133 A G T 3 S+ 0 0 0 119,-2.5 210,-0.3 1,-0.2 -1,-0.2 0.083 85.3 128.4 78.3 -26.6 -23.0 14.3 9.1 43 134 A R < + 0 0 77 -3,-1.1 -1,-0.2 -2,-0.4 2,-0.1 -0.399 32.8 170.8 -71.9 141.1 -25.5 13.3 11.8 44 135 A N - 0 0 45 206,-0.3 14,-0.2 -2,-0.1 -1,-0.1 -0.271 54.1 -69.6-127.7-156.8 -28.0 10.7 10.8 45 136 A I 0 0 81 12,-0.2 13,-0.1 -2,-0.1 -2,-0.1 0.420 360.0 360.0 -84.2 0.2 -30.8 8.4 12.2 46 137 A K 0 0 114 204,-0.1 12,-0.0 12,-0.1 -3,-0.0 0.246 360.0 360.0-136.2 360.0 -27.9 6.6 13.9 47 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 48 170 A I 0 0 2 0, 0.0 2,-0.5 0, 0.0 3,-0.4 0.000 360.0 360.0 360.0 127.2 -28.5 1.9 -7.6 49 171 A V B -C 234 0C 7 185,-2.5 185,-0.6 1,-0.2 140,-0.1 -0.775 360.0 -11.8 -86.4 126.9 -28.4 -1.8 -8.4 50 172 A N S S+ 0 0 98 138,-0.5 -1,-0.2 -2,-0.5 2,-0.1 0.862 97.1 134.0 53.5 46.4 -29.4 -4.1 -5.5 51 173 A G - 0 0 12 -3,-0.4 2,-0.3 150,-0.1 150,-0.2 -0.297 52.9-101.4-102.0-164.9 -29.3 -1.6 -2.7 52 174 A M E -D 200 0D 135 148,-2.1 148,-2.9 -2,-0.1 2,-0.7 -0.810 36.7 -91.1-117.5 161.8 -31.9 -1.0 0.0 53 175 A D E -D 199 0D 89 -2,-0.3 2,-0.8 146,-0.2 146,-0.3 -0.623 41.6-133.9 -69.8 110.8 -34.6 1.6 0.5 54 176 A e - 0 0 1 144,-1.8 144,-0.2 -2,-0.7 5,-0.1 -0.583 25.3-128.9 -69.2 108.6 -33.0 4.4 2.4 55 177 A K > - 0 0 151 -2,-0.8 3,-2.1 1,-0.1 4,-0.5 -0.184 34.4 -84.2 -54.9 148.9 -35.5 5.2 5.2 56 178 A L T 3 S+ 0 0 82 1,-0.3 -1,-0.1 2,-0.2 102,-0.0 -0.366 121.3 25.1 -55.8 127.0 -36.5 8.9 5.6 57 179 A G T 3 S+ 0 0 9 101,-0.4 -1,-0.3 -3,-0.1 -12,-0.2 0.494 101.6 89.6 91.6 5.4 -33.9 10.5 7.8 58 180 A E S < S+ 0 0 61 -3,-2.1 -2,-0.2 -14,-0.2 -3,-0.1 0.611 97.2 30.0-105.2 -19.6 -31.2 8.0 6.8 59 181 A e S > S+ 0 0 12 -4,-0.5 3,-3.1 -5,-0.1 43,-0.2 -0.316 73.3 155.9-130.2 49.0 -29.9 10.0 3.8 60 182 A P T 3 S+ 0 0 2 0, 0.0 100,-0.8 0, 0.0 42,-0.4 0.700 71.8 56.0 -54.5 -24.6 -30.7 13.5 5.1 61 183 A W T 3 S+ 0 0 8 98,-0.2 17,-1.9 100,-0.1 2,-0.3 0.440 80.5 118.7 -88.4 0.6 -28.0 15.1 2.8 62 184 A Q E < -I 77 0E 7 -3,-3.1 40,-0.5 15,-0.2 2,-0.3 -0.517 45.4-167.4 -72.5 125.5 -29.5 13.5 -0.3 63 185 A A E -IJ 76 101E 0 13,-2.4 13,-1.4 -2,-0.3 2,-0.5 -0.818 10.7-144.8-109.7 153.7 -30.7 16.0 -2.9 64 186 A A E -IJ 75 100E 1 36,-2.0 36,-1.5 -2,-0.3 2,-0.5 -0.975 6.4-147.9-121.1 121.5 -32.8 15.4 -5.9 65 187 A L E -IJ 74 99E 0 9,-2.6 8,-1.3 -2,-0.5 9,-0.8 -0.775 23.0-159.2 -87.6 125.7 -32.3 17.3 -9.1 66 188 A V E -IJ 72 98E 6 32,-3.3 32,-2.6 -2,-0.5 2,-0.4 -0.913 14.3-168.5-122.0 128.6 -35.6 17.8 -10.9 67 189 A D E > -I 71 0E 1 4,-3.3 4,-3.1 -2,-0.5 30,-0.1 -0.919 27.6-126.9-113.6 136.8 -36.4 18.5 -14.5 68 190 A E T 4 S+ 0 0 87 -2,-0.4 -1,-0.1 1,-0.2 4,-0.1 0.896 106.8 22.6 -43.0 -58.1 -39.9 19.5 -15.7 69 191 A K T 4 S+ 0 0 87 1,-0.1 -1,-0.2 2,-0.1 -3,-0.0 0.677 134.6 35.6 -91.0 -19.8 -40.3 16.8 -18.4 70 192 A E T 4 S- 0 0 99 1,-0.3 -2,-0.2 0, 0.0 -1,-0.1 0.460 87.4-158.2-116.2 -5.2 -37.8 14.2 -17.1 71 193 A G E < +I 67 0E 6 -4,-3.1 -4,-3.3 39,-0.1 2,-0.7 -0.387 64.2 13.1 67.0-134.2 -38.2 14.5 -13.4 72 194 A V E +I 66 0E 1 -6,-0.2 -6,-0.2 1,-0.2 3,-0.1 -0.692 63.9 153.2 -82.2 115.2 -35.3 13.3 -11.3 73 195 A F E + 0 0 14 -8,-1.3 2,-0.3 -2,-0.7 167,-0.3 0.604 65.6 12.2-113.4 -23.0 -32.2 12.7 -13.5 74 196 A f E -I 65 0E 0 -9,-0.8 -9,-2.6 165,-0.1 -1,-0.3 -0.939 63.7-133.3-148.1 167.6 -29.5 13.3 -10.9 75 197 A G E -I 64 0E 0 165,-3.1 12,-0.4 -2,-0.3 2,-0.3 -0.733 18.0-167.0-117.8 171.6 -28.8 13.6 -7.2 76 198 A G E -I 63 0E 0 -13,-1.4 -13,-2.4 -2,-0.2 2,-0.4 -0.869 18.9-116.8-146.9 179.5 -26.7 16.0 -5.1 77 199 A T E -IK 62 85E 0 8,-2.9 8,-4.0 -2,-0.3 2,-0.4 -0.982 23.5-127.2-132.2 124.0 -25.3 16.5 -1.7 78 200 A I E + K 0 84E 0 -17,-1.9 84,-2.4 -2,-0.4 6,-0.2 -0.521 30.6 167.8 -70.6 122.0 -26.2 19.3 0.7 79 201 A L - 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0 0 56 -3,-0.1 2,-0.4 2,-0.0 -1,-0.1 -0.821 62.8-160.1-116.2 156.5 -34.9 23.1 -16.2 97 219 A I + 0 0 36 -2,-0.3 20,-0.4 -30,-0.1 2,-0.3 -0.921 16.2 165.6-140.4 112.7 -33.2 22.1 -13.0 98 220 A S E -J 66 0E 22 -32,-2.6 -32,-3.3 -2,-0.4 2,-0.4 -0.780 26.0-128.2-117.1 166.6 -34.8 22.4 -9.5 99 221 A V E -JM 65 115E 0 16,-2.2 16,-2.6 -2,-0.3 2,-0.3 -0.906 19.0-177.9-118.0 145.8 -33.8 20.9 -6.2 100 222 A V E +J 64 0E 13 -36,-1.5 -36,-2.0 -2,-0.4 2,-0.2 -0.996 8.8 178.5-140.7 137.2 -35.9 18.8 -3.6 101 223 A V E +J 63 0E 24 -2,-0.3 -38,-0.1 -38,-0.2 58,-0.1 -0.734 54.5 40.4-131.6 175.7 -34.7 17.5 -0.3 102 224 A G S S+ 0 0 16 -40,-0.5 2,-0.4 -42,-0.4 -1,-0.1 0.768 92.0 108.7 54.2 28.5 -36.0 15.6 2.8 103 225 A E + 0 0 87 -41,-0.3 -1,-0.2 -3,-0.2 -3,-0.1 -0.998 41.8 177.4-138.7 140.7 -37.9 13.3 0.5 104 226 A I + 0 0 46 -2,-0.4 94,-2.3 -3,-0.1 2,-0.5 0.509 58.6 94.9-116.8 -12.3 -37.3 9.6 -0.5 105 227 A D B > -W 197 0F 63 92,-0.2 4,-1.1 1,-0.2 92,-0.2 -0.732 58.0-157.7 -86.1 126.3 -40.3 9.1 -2.8 106 228 A K H > S+ 0 0 31 90,-2.4 4,-1.3 -2,-0.5 -1,-0.2 0.898 92.0 48.2 -67.0 -42.2 -39.6 9.6 -6.5 107 229 A S H > S+ 0 0 58 89,-0.6 4,-1.5 1,-0.2 3,-0.2 0.931 110.7 48.2 -66.8 -48.5 -43.3 10.2 -7.4 108 230 A R H > S+ 0 0 41 1,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.775 108.1 56.9 -65.7 -27.1 -44.0 12.7 -4.6 109 231 A I H < S+ 0 0 3 -4,-1.1 -1,-0.2 2,-0.2 -2,-0.2 0.885 107.6 46.3 -70.9 -39.4 -40.9 14.7 -5.4 110 232 A E H < S+ 0 0 76 -4,-1.3 -2,-0.2 -3,-0.2 -1,-0.2 0.804 119.7 39.8 -74.6 -29.4 -41.8 15.3 -9.1 111 233 A T H < S+ 0 0 124 -4,-1.5 -2,-0.2 2,-0.1 -1,-0.2 0.679 107.5 76.6 -92.2 -20.5 -45.4 16.3 -8.2 112 234 A G S < S- 0 0 27 -4,-1.5 2,-0.2 -5,-0.2 -3,-0.1 -0.084 95.9 -63.1 -85.3-175.4 -44.6 18.4 -5.1 113 235 A P - 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