==== 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 BLOOD CLOTTING 19-JUL-01 1JMO . COMPND 2 MOLECULE: THROMBIN, LIGHT CHAIN; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR T.P.BAGLIN,R.W.CARRELL,C.T.ESMON,J.A.HUNTINGTON . 733 3 4 3 1 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 32666.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 495 67.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 24 3.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 155 21.1 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 5 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 4 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 3 0.4 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 . 2 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 . 63 8.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 77 10.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 133 18.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 11 1.5 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 1 0 1 6 0 0 2 3 0 0 1 0 1 0 0 0 0 1 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 0 1 1 0 0 0 0 1 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 . 6 5 3 4 4 4 1 1 0 2 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 0 1 1 0 0 1 1 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 1TL A > 0 0 97 0, 0.0 3,-0.5 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 149.2 96.2 25.0 130.9 2 1SL T T 3 + 0 0 140 1,-0.2 261,-0.0 261,-0.0 0, 0.0 0.646 360.0 63.2 -85.3 -16.6 94.3 27.9 132.4 3 1RL S T 3 S+ 0 0 74 2,-0.1 2,-0.4 261,-0.0 -1,-0.2 0.422 84.9 96.8 -86.9 0.2 93.5 29.4 129.0 4 1QL E S < S- 0 0 96 -3,-0.5 2,-0.2 1,-0.0 260,-0.0 -0.769 79.5-117.4 -95.2 135.6 91.4 26.4 128.1 5 1PL Y - 0 0 31 -2,-0.4 2,-0.5 14,-0.2 -2,-0.1 -0.460 21.5-152.3 -72.2 138.3 87.7 26.5 128.5 6 1OL Q - 0 0 132 -2,-0.2 2,-0.1 2,-0.0 -1,-0.0 -0.954 16.6-128.9-113.2 123.7 86.1 24.0 130.9 7 1NL T - 0 0 82 -2,-0.5 12,-0.0 1,-0.1 3,-0.0 -0.420 22.3-177.2 -73.8 149.0 82.5 23.0 130.2 8 1ML F + 0 0 87 -2,-0.1 2,-0.2 160,-0.1 -1,-0.1 0.648 57.7 64.1-116.8 -27.5 79.9 23.2 133.0 9 1LL F S S- 0 0 13 5,-0.0 290,-0.0 2,-0.0 -2,-0.0 -0.509 81.6-109.4-100.1 170.0 76.7 21.8 131.6 10 1KL N >> - 0 0 72 -2,-0.2 4,-2.6 1,-0.1 3,-2.5 -0.868 19.3-146.2-100.0 110.0 75.7 18.4 130.3 11 1JL P H 3> S+ 0 0 88 0, 0.0 4,-1.5 0, 0.0 -1,-0.1 0.716 93.9 71.9 -48.2 -21.4 75.2 18.4 126.5 12 1IL R H 34 S+ 0 0 129 1,-0.2 4,-0.1 2,-0.2 -3,-0.0 0.830 119.1 15.0 -65.7 -31.0 72.4 15.9 126.8 13 1HL T H <4 S+ 0 0 0 -3,-2.5 -1,-0.2 2,-0.2 3,-0.1 0.635 129.2 52.4-113.6 -25.4 70.1 18.5 128.3 14 1GL F H < S- 0 0 3 -4,-2.6 70,-0.5 1,-0.2 71,-0.3 0.718 100.0-136.4 -84.3 -23.4 72.0 21.7 127.4 15 1FL G < - 0 0 3 -4,-1.5 3,-0.4 -5,-0.4 -1,-0.2 -0.366 39.5 -47.6 89.4-177.6 72.3 20.9 123.7 16 1EL S S S+ 0 0 61 1,-0.2 67,-1.7 -2,-0.1 68,-0.2 -0.393 100.3 65.1 -87.9 167.7 75.5 21.4 121.8 17 1DL G + 0 0 18 65,-0.2 3,-0.4 -2,-0.1 -1,-0.2 0.152 59.9 103.8 115.1 -22.2 77.7 24.4 121.7 18 1CL E S > S+ 0 0 12 -3,-0.4 3,-1.9 1,-0.2 -2,-0.1 0.914 77.8 59.0 -62.9 -43.6 79.2 25.0 125.1 19 1BL A T 3 S+ 0 0 66 1,-0.3 -1,-0.2 148,-0.0 -14,-0.2 0.850 116.1 34.5 -54.1 -36.7 82.7 23.7 124.3 20 1AL D T > S+ 0 0 55 -3,-0.4 3,-1.0 146,-0.0 -1,-0.3 0.183 91.2 139.9-105.7 18.4 83.1 26.3 121.6 21 1 L a T < + 0 0 1 -3,-1.9 145,-0.2 1,-0.2 146,-0.1 -0.144 59.7 21.4 -62.9 154.4 81.1 29.2 123.3 22 2 L G T 3 S+ 0 0 0 143,-2.4 245,-2.0 244,-0.2 2,-0.6 0.547 89.7 114.3 68.3 9.7 82.2 32.8 123.2 23 3 L L < - 0 0 30 -3,-1.0 -1,-0.1 142,-0.3 243,-0.1 -0.941 59.7-141.9-115.6 110.0 84.4 32.5 120.1 24 4 L R > > - 0 0 0 -2,-0.6 5,-2.1 1,-0.1 3,-1.7 -0.546 5.0-143.9 -78.2 125.9 83.0 34.5 117.1 25 5 L P T 3 5S+ 0 0 20 0, 0.0 -1,-0.1 0, 0.0 136,-0.1 0.903 101.9 43.2 -51.4 -45.5 83.3 32.9 113.6 26 6 L L T 3 5S+ 0 0 23 135,-0.5 33,-0.1 32,-0.3 -2,-0.1 0.403 129.7 20.9 -87.0 6.2 83.9 36.3 112.0 27 7 L F T X >S+ 0 0 11 -3,-1.7 5,-2.8 31,-0.1 3,-1.2 0.400 127.1 26.4-132.0 -86.7 86.3 37.6 114.6 28 8 L E G > 5S+ 0 0 35 1,-0.3 3,-1.7 3,-0.2 -2,-0.1 0.912 122.8 52.8 -51.8 -46.5 88.3 35.3 117.0 29 9 L K G 3 - 0 0 8 -2,-0.4 3,-0.7 1,-0.1 4,-0.5 -0.328 36.6 -97.1 -77.2 168.1 86.2 44.2 116.4 35 14AL K T 3 S+ 0 0 97 1,-0.2 -1,-0.1 2,-0.1 4,-0.0 0.541 114.7 25.7 -67.7 -4.9 86.5 47.9 116.5 36 14BL T T >> S+ 0 0 29 2,-0.1 4,-0.7 3,-0.0 3,-0.6 0.391 87.2 95.6-137.9 5.9 86.0 48.4 120.2 37 14CL E H X> S+ 0 0 9 -3,-0.7 4,-2.0 1,-0.2 3,-0.8 0.832 80.4 65.7 -66.6 -30.4 87.0 45.2 122.0 38 14DL R H 3> S+ 0 0 138 -4,-0.5 4,-2.7 1,-0.3 -1,-0.2 0.860 93.9 59.5 -57.9 -37.0 90.4 46.7 122.7 39 14EL E H <> S+ 0 0 40 -3,-0.6 4,-1.0 1,-0.2 -1,-0.3 0.839 105.2 49.6 -61.8 -33.2 88.7 49.4 124.9 40 14FL L H XX S+ 0 0 0 -3,-0.8 4,-1.5 -4,-0.7 3,-0.6 0.938 109.9 49.7 -70.8 -46.6 87.4 46.5 127.1 41 14GL L H 3< S+ 0 0 87 -4,-2.0 3,-0.3 1,-0.2 -2,-0.2 0.912 108.9 53.5 -57.4 -42.9 90.8 44.9 127.3 42 14HL E H >< S+ 0 0 119 -4,-2.7 3,-0.6 1,-0.2 -1,-0.2 0.763 105.1 53.9 -65.2 -26.0 92.3 48.3 128.3 43 14IL S H << S+ 0 0 23 -4,-1.0 -1,-0.2 -3,-0.6 -2,-0.2 0.820 97.7 62.5 -78.9 -30.3 89.8 48.7 131.1 44 14JL Y T 3< + 0 0 14 -4,-1.5 2,-3.0 -3,-0.3 -1,-0.2 0.554 68.0 129.9 -70.2 -2.8 90.7 45.4 132.6 45 14KL I S < S- 0 0 123 -3,-0.6 -1,-0.1 -4,-0.2 -3,-0.1 -0.305 77.2 -68.6 -60.1 79.2 94.1 47.0 133.0 46 14LL D 0 0 142 -2,-3.0 -1,-0.1 1,-0.1 -4,-0.0 0.817 360.0 360.0 42.9 162.0 93.9 45.8 136.6 47 14ML G 0 0 89 -3,-0.1 -1,-0.1 134,-0.0 134,-0.0 -0.654 360.0 360.0-174.0 360.0 92.4 46.0 140.0 48 !* 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 49 16 H I 0 0 0 0, 0.0 3,-0.4 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 127.9 70.9 51.8 123.0 50 17 H V B +A 247 0A 11 197,-2.9 197,-1.6 1,-0.2 143,-0.1 -0.795 360.0 0.1 -99.0 136.6 71.7 55.4 123.6 51 18 H E S S+ 0 0 120 141,-0.5 -1,-0.2 -2,-0.4 194,-0.2 0.825 102.1 119.0 59.6 34.7 75.0 56.9 122.5 52 19 H G - 0 0 28 -3,-0.4 2,-0.3 159,-0.1 159,-0.2 -0.263 54.5-124.0-109.2-159.1 76.3 53.7 121.0 53 20 H S E -B 210 0B 52 157,-2.2 157,-2.4 -2,-0.1 2,-0.1 -0.922 35.6 -70.2-145.2 169.7 77.3 52.8 117.4 54 21 H D E -B 209 0B 90 -2,-0.3 155,-0.2 155,-0.2 154,-0.1 -0.400 49.7-128.1 -63.8 133.1 76.4 50.4 114.7 55 22 H A - 0 0 5 153,-2.9 2,-0.2 -2,-0.1 -1,-0.1 -0.393 23.7-114.4 -76.3 159.6 77.6 46.9 115.5 56 23 H E > - 0 0 62 1,-0.1 3,-1.9 -2,-0.1 4,-0.3 -0.562 46.3 -78.4 -89.4 162.4 79.7 45.1 112.8 57 24 H I T 3 S+ 0 0 78 1,-0.3 -1,-0.1 -2,-0.2 57,-0.1 -0.388 118.1 5.5 -61.4 130.1 78.3 42.0 111.1 58 25 H G T 3 S+ 0 0 12 55,-0.1 -32,-0.3 2,-0.1 -1,-0.3 0.645 90.6 127.6 71.2 14.8 78.7 38.9 113.4 59 26 H M S < S+ 0 0 2 -3,-1.9 -2,-0.1 1,-0.3 -25,-0.1 0.796 85.0 21.7 -72.3 -29.9 79.9 41.1 116.2 60 27 H S S > S+ 0 0 11 -4,-0.3 3,-2.0 102,-0.1 -1,-0.3 -0.584 71.7 167.1-139.0 70.4 77.3 39.7 118.6 61 28 H P T 3 S+ 0 0 3 0, 0.0 103,-1.5 0, 0.0 51,-0.2 0.544 75.6 61.3 -64.3 -9.9 76.3 36.3 117.1 62 29 H W T 3 S+ 0 0 3 101,-0.2 18,-2.3 103,-0.1 2,-0.2 0.377 76.6 122.6 -97.1 1.6 74.5 35.3 120.3 63 30 H Q E < -K 79 0C 2 -3,-2.0 49,-0.9 16,-0.2 50,-0.4 -0.472 43.0-168.8 -68.2 128.5 72.1 38.3 120.0 64 31 H V E -KL 78 111C 0 14,-2.6 14,-1.2 -2,-0.2 2,-0.5 -0.950 14.7-145.2-123.3 142.0 68.5 37.2 120.0 65 32 H M E -KL 77 110C 0 45,-2.4 45,-2.0 -2,-0.4 2,-0.5 -0.912 13.6-144.6-105.6 122.9 65.4 39.3 119.2 66 33 H L E -KL 76 109C 0 10,-2.9 9,-2.9 -2,-0.5 10,-1.1 -0.785 24.8-170.1 -88.3 129.1 62.3 38.4 121.2 67 34 H F E -KL 74 108C 19 41,-3.1 41,-1.8 -2,-0.5 2,-0.4 -0.925 27.6-124.8-125.6 144.4 59.2 38.8 119.0 68 35 H R E > -KL 73 107C 66 5,-2.7 5,-0.8 -2,-0.3 39,-0.2 -0.707 25.1-146.0 -79.9 133.7 55.4 38.9 119.5 69 36 H K T 5S+ 0 0 47 37,-3.2 3,-0.2 -2,-0.4 -1,-0.2 0.960 76.7 43.8 -68.8 -49.8 54.1 36.2 117.2 70 36AH S T 5S+ 0 0 34 36,-0.4 -1,-0.2 1,-0.4 528,-0.1 -0.894 122.1 21.2-150.5 115.1 50.8 37.8 116.3 71 37 H P T 5S- 0 0 18 0, 0.0 2,-0.4 0, 0.0 -1,-0.4 0.551 105.2-121.7 -72.9 157.0 50.7 40.7 115.7 72 38 H Q T 5 + 0 0 28 525,-0.2 2,-0.3 -3,-0.2 -3,-0.2 -0.528 51.0 136.7 -74.3 122.4 54.3 40.9 114.9 73 39 H E E < -K 68 0C 69 -5,-0.8 -5,-2.7 -2,-0.4 2,-0.2 -0.967 55.4 -99.7-163.6 146.7 56.5 43.3 116.9 74 40 H L E +K 67 0C 34 -2,-0.3 -7,-0.2 -7,-0.2 3,-0.1 -0.504 39.0 169.5 -68.6 132.1 59.9 43.5 118.6 75 41 H L E - 0 0 9 -9,-2.9 626,-2.2 1,-0.4 2,-0.3 0.758 52.4 -34.5-111.8 -42.6 59.5 43.0 122.4 76 42 H b E -K 66 0C 1 -10,-1.1 -10,-2.9 624,-0.2 -1,-0.4 -0.950 55.9 -93.5-165.2-177.6 63.0 42.6 123.9 77 43 H G E +K 65 0C 4 176,-3.5 12,-0.4 -2,-0.3 2,-0.3 -0.524 37.9 167.9-104.7 174.6 66.5 41.3 123.5 78 44 H A E -K 64 0C 0 -14,-1.2 -14,-2.6 -2,-0.2 2,-0.3 -0.935 23.3-120.5-171.1 178.4 67.8 37.9 124.6 79 45 H S E -KM 63 87C 0 8,-2.2 8,-2.6 -2,-0.3 2,-0.5 -0.989 13.8-122.0-142.9 151.3 70.9 35.8 124.1 80 46 H L E + M 0 86C 0 -18,-2.3 86,-2.4 -2,-0.3 6,-0.2 -0.775 28.2 168.2 -92.5 123.2 71.8 32.4 122.8 81 47 H I - 0 0 2 4,-2.3 2,-0.3 -2,-0.5 5,-0.2 0.516 69.0 -10.8-112.1 -6.6 73.6 30.1 125.2 82 48 H S S S- 0 0 0 3,-0.9 -65,-0.2 -65,-0.1 -1,-0.2 -0.905 89.3 -74.7-167.7-171.8 73.5 26.7 123.4 83 49 H D S S+ 0 0 15 -67,-1.7 74,-2.7 -2,-0.3 -68,-0.1 0.527 129.5 22.7 -79.7 -1.1 71.7 25.3 120.3 84 50 H R S S+ 0 0 48 -70,-0.5 69,-2.8 72,-0.2 2,-0.4 0.474 106.9 78.1-140.6 -3.9 68.4 25.1 122.2 85 51 H W E - N 0 152C 0 -71,-0.3 -4,-2.3 67,-0.2 -3,-0.9 -0.937 47.2-173.8-119.1 137.7 68.4 27.6 125.1 86 52 H V E -MN 80 151C 0 65,-2.6 65,-2.5 -2,-0.4 2,-0.4 -0.956 12.2-148.4-125.2 142.0 67.9 31.3 125.2 87 53 H L E +MN 79 150C 0 -8,-2.6 -8,-2.2 -2,-0.4 2,-0.3 -0.885 27.5 150.1-113.2 140.2 68.3 33.6 128.1 88 54 H T E - 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0 0 6 -3,-1.4 2,-0.3 257,-0.2 255,-0.2 -0.784 49.7-170.6-105.2 148.3 4.6 51.2 101.9 406 151 A K >> - 0 0 110 253,-1.6 3,-0.8 -2,-0.3 4,-0.5 -0.941 43.6 -2.2-136.8 158.1 1.9 48.5 102.1 407 152 A G H 3> S- 0 0 51 -2,-0.3 4,-1.9 1,-0.2 3,-0.1 -0.362 121.4 -15.4 70.0-143.0 1.6 44.7 101.9 408 153 A E H 3> S+ 0 0 111 2,-0.2 4,-2.9 1,-0.2 5,-0.2 0.821 132.7 63.5 -66.8 -32.5 4.6 42.5 101.3 409 154 A T H <> S+ 0 0 0 -3,-0.8 4,-1.3 1,-0.2 244,-0.2 0.934 108.7 42.6 -56.8 -44.1 6.7 45.5 100.1 410 155 A H H X S+ 0 0 21 -4,-0.5 4,-2.3 1,-0.2 -2,-0.2 0.886 112.2 54.7 -68.4 -41.1 6.3 46.9 103.6 411 156 A E H X S+ 0 0 70 -4,-1.9 4,-2.4 2,-0.2 5,-0.2 0.900 102.2 54.5 -62.7 -44.1 6.9 43.5 105.2 412 157 A Q H X S+ 0 0 40 -4,-2.9 4,-3.0 1,-0.2 5,-0.3 0.961 111.4 47.8 -54.2 -50.3 10.3 42.8 103.5 413 158 A V H X S+ 0 0 0 -4,-1.3 4,-2.4 -5,-0.2 6,-0.3 0.932 113.8 44.0 -56.1 -53.0 11.5 46.2 104.8 414 159 A H H <>S+ 0 0 4 -4,-2.3 6,-2.6 2,-0.2 5,-1.3 0.799 117.2 48.6 -65.2 -27.6 10.3 45.7 108.4 415 160 A S H ><5S+ 0 0 54 -4,-2.4 3,-1.3 -5,-0.2 6,-0.2 0.978 116.1 38.7 -73.8 -61.6 11.6 42.1 108.4 416 161 A I H 3<5S+ 0 0 27 -4,-3.0 -2,-0.2 1,-0.3 -3,-0.2 0.797 116.1 51.6 -62.0 -31.5 15.1 42.8 107.0 417 162 A L T 3<5S- 0 0 0 -4,-2.4 -1,-0.3 -5,-0.3 -48,-0.3 0.560 112.7-124.0 -80.6 -8.3 15.5 46.1 109.0 418 163 A H T <>5S+ 0 0 24 -3,-1.3 4,-1.3 -5,-0.2 -3,-0.2 0.657 73.8 130.4 72.9 19.8 14.6 44.0 112.0 419 164 A F H >< + 0 0 0 -5,-1.3 4,-2.1 -6,-0.3 -4,-0.2 0.833 70.0 58.5 -70.2 -31.3 11.7 46.3 112.9 420 165 A K H > S+ 0 0 97 -6,-2.6 4,-1.8 1,-0.2 -1,-0.2 0.913 103.0 51.8 -63.4 -42.5 9.5 43.2 113.2 421 166 A D H > S+ 0 0 78 -7,-0.4 4,-1.1 -6,-0.2 -1,-0.2 0.854 108.7 51.8 -62.8 -36.1 11.7 41.8 115.8 422 167 A F H >X S+ 0 0 0 -4,-1.3 3,-0.7 2,-0.2 4,-0.7 0.944 108.1 48.7 -66.7 -48.5 11.5 45.0 117.8 423 168 A V H 3< S+ 0 0 23 -4,-2.1 3,-0.5 1,-0.3 6,-0.4 0.866 112.6 51.4 -58.7 -35.0 7.7 45.2 117.8 424 169 A N H 3< S+ 0 0 131 -4,-1.8 -1,-0.3 1,-0.2 -2,-0.2 0.723 89.9 80.5 -73.3 -24.4 7.8 41.5 118.9 425 170 A A H << S+ 0 0 44 -4,-1.1 2,-0.3 -3,-0.7 -1,-0.2 0.871 104.5 14.7 -51.7 -43.6 10.1 42.2 121.8 426 171 A S >< - 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