==== 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/HYDROLASE INHIBITOR 23-JUN-05 2A2X . COMPND 2 MOLECULE: THROMBIN LIGHT CHAIN; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR U.E.W.LANGE,D.BAUCKE,W.HORNBERGER,H.MACK,W.SEITZ,H.W.HOEFFKE . 294 4 4 3 1 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13007.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 181 61.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 2 0.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 76 25.9 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 1.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 1 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.7 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 . 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 . 23 7.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 36 12.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 26 8.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 2.0 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 1 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 PARALLEL BRIDGES PER LADDER . 4 4 0 4 3 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 ANTIPARALLEL BRIDGES PER LADDER . 1 0 0 0 0 1 0 1 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 1FL G 0 0 104 0, 0.0 4,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0-124.3 16.8 53.8 25.7 2 1EL S + 0 0 50 1,-0.1 153,-0.5 2,-0.1 2,-0.2 0.167 360.0 31.0 -72.7 21.3 18.1 50.2 26.0 3 1DL G S S- 0 0 20 151,-0.1 3,-0.1 4,-0.0 4,-0.1 -0.808 112.1 -78.3-175.7 133.7 16.3 49.8 22.6 4 1CL E > - 0 0 80 64,-0.3 3,-2.8 -2,-0.2 -2,-0.1 -0.118 63.0 -97.3 -42.8 121.6 15.6 52.2 19.8 5 1BL A T 3 S+ 0 0 76 1,-0.3 -1,-0.1 -4,-0.1 3,-0.1 -0.155 115.1 38.6 -43.1 134.6 12.7 54.4 20.9 6 1AL D T > S+ 0 0 64 1,-0.4 3,-1.6 -3,-0.1 -1,-0.3 -0.027 82.8 132.1 106.5 -25.1 9.6 52.9 19.3 7 1 L a T < + 0 0 4 -3,-2.8 -1,-0.4 1,-0.2 146,-0.2 -0.191 67.7 25.1 -55.6 149.5 10.7 49.3 19.8 8 2 L G T 3 S+ 0 0 0 144,-2.7 2,-0.8 239,-0.2 240,-0.7 0.395 89.4 112.7 78.5 -6.5 8.0 47.1 21.3 9 3 L L < - 0 0 29 -3,-1.6 -1,-0.2 143,-0.3 238,-0.1 -0.889 61.9-142.3-103.0 108.1 5.0 49.1 20.1 10 4 L R > > - 0 0 0 -2,-0.8 5,-2.1 1,-0.1 3,-1.2 -0.502 6.0-138.3 -73.4 132.6 3.1 47.1 17.6 11 5 L P T 3 5S+ 0 0 12 0, 0.0 -1,-0.1 0, 0.0 137,-0.1 0.883 102.2 43.7 -54.0 -43.9 1.6 49.0 14.6 12 6 L L T 3 5S+ 0 0 40 136,-0.5 34,-0.1 33,-0.3 -2,-0.1 0.428 129.1 16.1 -87.3 0.9 -1.7 47.1 14.7 13 7 L F T X>>S+ 0 0 15 -3,-1.2 3,-2.8 32,-0.1 5,-1.9 0.407 123.6 32.8-132.8 -86.2 -2.2 47.1 18.4 14 8 L E G >45S+ 0 0 26 1,-0.3 3,-1.2 2,-0.2 -5,-0.1 0.864 117.0 56.5 -47.0 -44.4 -0.5 49.4 20.9 15 9 L K G 34 - 0 0 6 -2,-0.3 3,-0.9 1,-0.1 4,-0.4 -0.430 39.9 -95.9 -83.6 165.4 -4.8 41.0 21.0 21 14AL K T 3 S+ 0 0 143 1,-0.2 -1,-0.1 2,-0.1 -2,-0.0 0.629 115.4 23.1 -56.5 -21.2 -7.0 38.1 22.2 22 14BL T T >> S+ 0 0 41 2,-0.1 3,-0.8 1,-0.1 4,-0.6 0.309 84.6 104.1-134.2 16.6 -4.8 36.9 25.0 23 14CL E H X> S+ 0 0 5 -3,-0.9 4,-1.7 1,-0.2 3,-0.6 0.805 76.6 63.1 -70.7 -25.5 -2.5 39.7 26.1 24 14DL R H 3> S+ 0 0 130 -4,-0.4 4,-2.5 1,-0.2 -1,-0.2 0.777 91.2 67.8 -68.4 -22.3 -4.5 40.3 29.3 25 14EL E H <> S+ 0 0 59 -3,-0.8 4,-0.6 2,-0.2 -1,-0.2 0.894 103.7 45.2 -60.8 -39.4 -3.6 36.7 30.4 26 14FL L H X< S+ 0 0 0 -3,-0.6 3,-1.4 -4,-0.6 4,-0.4 0.968 113.5 46.9 -66.6 -56.1 -0.0 38.0 30.7 27 14GL L H >< S+ 0 0 48 -4,-1.7 3,-1.0 1,-0.3 -2,-0.2 0.807 106.7 58.5 -58.3 -33.1 -0.8 41.2 32.5 28 14HL E H 3X>S+ 0 0 105 -4,-2.5 5,-1.0 1,-0.2 4,-0.6 0.724 103.3 54.7 -70.8 -19.5 -3.1 39.5 35.0 29 14IL S T <<5S+ 0 0 2 -3,-1.4 2,-1.5 -4,-0.6 -1,-0.2 0.519 81.8 91.1 -91.0 -6.0 -0.2 37.3 36.0 30 14JL Y T <45S+ 0 0 15 -3,-1.0 -1,-0.2 -4,-0.4 -3,-0.1 -0.415 103.2 15.5 -88.9 62.2 2.1 40.2 36.8 31 14KL I T 45S- 0 0 122 -2,-1.5 -2,-0.1 2,-0.2 -1,-0.1 -0.229 140.0 -36.5 175.7 -67.6 1.1 40.4 40.5 32 14LL D T <5S+ 0 0 142 -4,-0.6 -3,-0.2 136,-0.1 -2,-0.1 0.268 90.6 128.6-162.6 6.0 -0.8 37.2 41.6 33 14ML G < 0 0 21 -5,-1.0 -2,-0.2 -6,-0.1 -4,-0.1 -0.111 360.0 360.0 -67.5 170.0 -2.9 36.0 38.7 34 15 L R 0 0 133 135,-0.0 -1,-0.1 161,-0.0 -2,-0.1 -0.775 360.0 360.0-134.2 360.0 -2.9 32.5 37.3 35 !* 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 36 16 H I 0 0 0 0, 0.0 2,-0.5 0, 0.0 3,-0.3 0.000 360.0 360.0 360.0 128.3 4.3 25.0 19.4 37 17 H V B +A 228 0A 13 191,-2.8 191,-1.4 1,-0.2 143,-0.1 -0.924 360.0 1.3-110.5 131.1 2.3 22.4 21.2 38 18 H E S S+ 0 0 128 -2,-0.5 -1,-0.2 141,-0.4 188,-0.2 0.864 102.8 116.4 63.4 39.0 -1.2 23.2 22.5 39 19 H G - 0 0 30 -3,-0.3 2,-0.3 153,-0.1 153,-0.2 -0.058 55.2-124.6-109.9-145.7 -1.2 26.8 21.3 40 20 H S E -B 191 0B 58 151,-1.1 151,-2.0 -2,-0.1 2,-0.0 -0.976 35.1 -70.1-161.8 163.3 -3.3 28.6 18.8 41 21 H D E -B 190 0B 97 -2,-0.3 149,-0.2 149,-0.2 2,-0.1 -0.344 50.4-126.7 -60.9 135.9 -3.1 30.6 15.6 42 22 H A - 0 0 5 147,-2.8 2,-0.3 59,-0.1 -1,-0.1 -0.393 24.0-116.0 -77.4 160.4 -1.6 34.0 16.1 43 23 H E > - 0 0 48 1,-0.1 3,-2.0 -2,-0.1 4,-0.3 -0.690 45.1 -76.6 -97.4 158.0 -3.5 37.0 14.8 44 24 H I T 3 S+ 0 0 90 1,-0.3 -1,-0.1 -2,-0.3 57,-0.1 -0.221 116.2 6.4 -52.5 133.6 -2.2 39.2 12.1 45 25 H G T 3 S+ 0 0 12 55,-0.1 -33,-0.3 2,-0.1 -1,-0.3 0.588 89.7 125.5 69.4 11.5 0.5 41.6 13.3 46 26 H M S < S+ 0 0 3 -3,-2.0 -2,-0.1 1,-0.3 -1,-0.1 0.771 82.7 24.6 -72.1 -27.6 0.6 40.0 16.7 47 27 H S > + 0 0 13 -4,-0.3 3,-2.3 102,-0.1 -1,-0.3 -0.538 67.7 170.1-138.2 68.6 4.4 39.4 16.6 48 28 H P T 3 S+ 0 0 1 0, 0.0 103,-2.5 0, 0.0 99,-0.1 0.481 78.9 55.6 -59.2 -5.0 5.9 41.9 14.1 49 29 H W T 3 S+ 0 0 2 101,-0.2 18,-2.1 103,-0.1 2,-0.2 0.440 75.4 121.1-107.8 -4.4 9.4 40.9 15.3 50 30 H Q E < -J 66 0C 4 -3,-2.3 49,-0.9 16,-0.2 50,-0.4 -0.440 44.5-167.8 -65.3 125.8 9.1 37.2 14.5 51 31 H V E -JK 65 98C 0 14,-2.8 14,-1.4 -2,-0.2 2,-0.5 -0.882 13.8-143.2-119.2 148.4 11.7 36.1 12.0 52 32 H M E -JK 64 97C 0 45,-1.9 45,-2.4 -2,-0.3 2,-0.9 -0.945 8.5-144.9-113.5 126.7 12.1 32.9 10.1 53 33 H L E -JK 63 96C 0 10,-3.0 9,-2.5 -2,-0.5 10,-1.1 -0.809 26.5-165.5 -88.9 109.8 15.5 31.4 9.4 54 34 H F E -JK 61 95C 0 41,-2.7 41,-3.6 -2,-0.9 2,-0.3 -0.859 13.6-139.5-106.6 131.2 15.1 29.9 5.9 55 35 H R E > -JK 60 94C 71 5,-2.4 5,-0.8 -2,-0.5 39,-0.2 -0.663 6.0-148.1 -84.7 135.8 17.5 27.4 4.4 56 36 H K T 5S+ 0 0 33 37,-1.8 3,-0.3 -2,-0.3 -1,-0.1 0.911 78.4 51.7 -70.0 -45.2 18.3 28.0 0.7 57 36AH S T 5S+ 0 0 98 1,-0.5 -1,-0.2 36,-0.4 2,-0.1 -0.869 121.0 18.0-151.2 114.5 18.8 24.3 -0.3 58 37 H P T 5S- 0 0 71 0, 0.0 2,-0.8 0, 0.0 -1,-0.5 0.502 101.9-126.3 -73.8 152.1 16.8 22.4 0.4 59 38 H Q T 5 + 0 0 61 -3,-0.3 2,-0.3 -2,-0.1 -3,-0.2 -0.526 58.4 130.9 -67.0 107.1 14.3 25.2 0.9 60 39 H E E < -J 55 0C 70 -5,-0.8 -5,-2.4 -2,-0.8 2,-0.2 -0.991 64.6 -84.9-157.4 158.8 13.0 24.5 4.5 61 40 H L E +J 54 0C 25 -2,-0.3 -7,-0.2 -7,-0.2 3,-0.1 -0.483 41.5 173.4 -66.3 133.5 12.3 26.1 7.8 62 41 H L E - 0 0 25 -9,-2.5 2,-0.3 1,-0.4 170,-0.2 0.784 53.5 -37.0-108.1 -52.5 15.4 26.1 9.9 63 42 H b E -J 53 0C 3 -10,-1.1 -10,-3.0 170,-0.1 -1,-0.4 -0.955 52.5-101.0-163.2 175.5 14.6 28.1 13.0 64 43 H G E +J 52 0C 2 170,-4.0 12,-0.4 -2,-0.3 2,-0.3 -0.578 41.1 166.3-100.7 170.2 12.8 31.0 14.5 65 44 H A E -J 51 0C 0 -14,-1.4 -14,-2.8 -2,-0.2 2,-0.3 -0.933 24.3-119.0-167.9-178.6 14.5 34.3 15.3 66 45 H S E -JL 50 74C 0 8,-2.2 8,-2.8 -2,-0.3 2,-0.6 -0.999 13.0-125.6-145.1 146.7 13.7 37.9 16.2 67 46 H L E + L 0 73C 0 -18,-2.1 86,-2.1 -2,-0.3 6,-0.2 -0.790 28.2 168.6 -91.1 116.7 14.2 41.4 14.8 68 47 H I - 0 0 17 4,-2.2 -64,-0.3 -2,-0.6 2,-0.3 0.476 69.5 -9.3-106.1 -6.3 15.9 43.8 17.4 69 48 H S S S- 0 0 27 3,-0.8 -1,-0.2 -66,-0.1 3,-0.1 -0.932 87.9 -78.9-170.7-178.8 16.7 46.7 15.0 70 49 H D S S+ 0 0 66 -2,-0.3 74,-2.1 1,-0.2 3,-0.1 0.568 128.3 28.8 -74.5 -5.9 16.7 47.4 11.3 71 50 H R S S+ 0 0 53 72,-0.2 69,-2.8 1,-0.1 2,-0.4 0.465 109.0 70.5-130.0 -7.2 20.0 45.5 10.8 72 51 H W E - M 0 139C 15 67,-0.2 -4,-2.2 -3,-0.1 -3,-0.8 -0.953 47.3-172.6-126.3 132.7 20.2 42.8 13.5 73 52 H V E -LM 67 138C 0 65,-2.4 65,-2.5 -2,-0.4 2,-0.4 -0.925 14.9-146.8-118.2 145.1 18.3 39.5 14.1 74 53 H L E +LM 66 137C 0 -8,-2.8 -8,-2.2 -2,-0.4 2,-0.3 -0.866 28.8 147.8-110.9 142.5 18.7 37.4 17.3 75 54 H T E - M 0 136C 0 61,-2.1 61,-1.9 -2,-0.4 2,-0.3 -0.921 49.0 -72.2-157.9-179.5 18.5 33.6 17.4 76 55 H A > - 0 0 0 -12,-0.4 3,-1.2 -2,-0.3 4,-0.3 -0.635 33.5-135.7 -84.9 143.0 19.8 30.5 19.1 77 56 H A G >> S+ 0 0 0 -2,-0.3 4,-2.7 1,-0.2 3,-1.8 0.823 101.5 66.7 -67.1 -30.6 23.4 29.5 18.4 78 57 H H G 34 S+ 0 0 18 1,-0.3 -1,-0.2 2,-0.2 156,-0.0 0.579 88.3 69.5 -68.2 -6.5 22.5 25.8 18.0 79 58 H b G <4 S+ 0 0 0 -3,-1.2 -1,-0.3 1,-0.1 -2,-0.2 0.709 115.0 24.4 -79.4 -22.4 20.5 26.9 14.9 80 59 H L T <4 S+ 0 0 2 -3,-1.8 9,-2.0 1,-0.3 2,-0.4 0.753 130.2 32.9-109.3 -39.7 23.8 27.5 13.2 81 60 H L E < +P 88 0D 42 -4,-2.7 -1,-0.3 7,-0.2 7,-0.2 -0.968 56.6 133.0-131.3 120.9 26.3 25.4 15.0 82 60AH Y E > > -P 87 0D 50 5,-2.6 3,-2.1 -2,-0.4 5,-1.7 -0.466 25.4-170.3-165.5 83.0 25.8 21.9 16.5 83 60BH P G > 5S+ 0 0 48 0, 0.0 3,-2.8 0, 0.0 5,-0.1 0.767 80.4 71.3 -45.4 -42.0 28.4 19.2 15.7 84 60CH P G 3 5S+ 0 0 73 0, 0.0 44,-0.0 0, 0.0 0, 0.0 0.799 112.1 33.0 -52.5 -25.5 26.5 16.3 17.2 85 60DH W G < 5S- 0 0 183 -3,-2.1 3,-0.1 2,-0.1 0, 0.0 0.075 116.8-111.9-115.6 20.4 24.2 16.7 14.2 86 60EH D T < 5 + 0 0 158 -3,-2.8 2,-0.5 1,-0.2 -5,-0.0 0.823 64.5 155.3 52.2 36.9 26.8 17.9 11.8 87 60FH K E < +P 82 0D 41 -5,-1.7 -5,-2.6 1,-0.1 -1,-0.2 -0.837 6.3 141.7 -98.8 124.0 25.2 21.3 11.7 88 60GH N E -P 81 0D 114 -2,-0.5 -7,-0.2 -7,-0.2 2,-0.1 -0.363 23.6-178.7-160.5 72.0 27.5 24.3 10.7 89 60HH F - 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