==== 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 19-AUG-92 1DWE . COMPND 2 MOLECULE: ALPHA-THROMBIN LIGHT CHAIN; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR D.W.BANNER,P.HADVARY . 296 4 4 3 1 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13587.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 177 59.8 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 . 78 26.4 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 3 1.0 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 . 21 7.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 32 10.8 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 . 5 1.7 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 0 0 1 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 3 1 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 1CL E 0 0 154 0, 0.0 3,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 7.1 64.3 26.5 16.7 2 1BL A - 0 0 84 1,-0.1 2,-0.3 61,-0.0 61,-0.0 0.745 360.0 -98.0 58.6 128.4 61.4 27.0 14.2 3 1AL D + 0 0 77 2,-0.0 2,-0.3 145,-0.0 -1,-0.1 -0.580 56.4 154.8 -75.9 129.6 59.1 30.0 14.4 4 1 L a + 0 0 25 -2,-0.3 143,-0.2 141,-0.1 3,-0.1 -0.991 44.9 26.2-156.7 159.1 55.9 29.4 16.1 5 2 L G S S+ 0 0 0 141,-2.1 243,-1.4 -2,-0.3 2,-0.8 0.347 84.9 113.4 70.7 -3.6 53.1 31.0 18.0 6 3 L L - 0 0 32 140,-0.2 -1,-0.1 241,-0.2 241,-0.1 -0.847 64.4-137.5-103.3 103.6 53.7 34.3 16.3 7 4 L R > > - 0 0 0 -2,-0.8 5,-2.4 1,-0.1 3,-1.6 -0.376 2.5-141.5 -64.7 128.1 50.8 35.2 14.1 8 5 L P T 3 5S+ 0 0 18 0, 0.0 -1,-0.1 0, 0.0 134,-0.1 0.824 102.7 38.5 -55.6 -34.9 51.6 36.7 10.7 9 6 L L T 3 5S+ 0 0 28 30,-0.4 -2,-0.1 133,-0.3 31,-0.1 0.346 130.9 22.8-100.3 7.6 48.8 39.1 10.8 10 7 L F T X >S+ 0 0 14 -3,-1.6 5,-2.5 29,-0.1 3,-1.9 0.449 125.5 28.3-131.3 -81.6 49.0 40.0 14.4 11 8 L E G > 5S+ 0 0 18 1,-0.3 3,-2.1 3,-0.2 -5,-0.1 0.946 122.0 54.2 -50.1 -51.6 52.1 39.6 16.5 12 9 L K G 3 > S+ 0 0 49 1,-0.1 3,-1.3 2,-0.1 4,-0.6 0.482 86.2 104.4-122.5 6.7 39.9 39.7 23.1 20 14CL E H >> S+ 0 0 5 -3,-0.4 4,-1.7 1,-0.3 3,-0.8 0.783 75.2 61.8 -51.1 -41.9 43.5 38.9 23.7 21 14DL R H 3> S+ 0 0 141 -4,-0.4 4,-2.5 1,-0.3 -1,-0.3 0.805 92.2 64.8 -61.7 -29.6 43.7 41.3 26.7 22 14EL E H <> S+ 0 0 60 -3,-1.3 4,-1.3 1,-0.2 -1,-0.3 0.914 105.0 47.7 -58.8 -39.1 41.1 39.3 28.5 23 14FL L H << S+ 0 0 0 -3,-0.8 141,-0.5 -4,-0.6 3,-0.4 0.970 112.1 46.3 -62.4 -59.8 43.8 36.5 28.5 24 14GL L H >X S+ 0 0 41 -4,-1.7 3,-1.9 1,-0.2 4,-0.5 0.880 109.2 54.3 -53.9 -44.5 46.7 38.6 29.7 25 14HL E H >< S+ 0 0 94 -4,-2.5 3,-1.6 1,-0.3 -1,-0.2 0.874 92.4 70.9 -62.7 -34.7 44.8 40.3 32.5 26 14IL S T 3< S+ 0 0 29 -4,-1.3 -1,-0.3 -3,-0.4 -2,-0.2 0.682 92.9 62.0 -54.7 -14.1 43.8 37.0 33.9 27 14JL Y T <4 0 0 35 -3,-1.9 -1,-0.3 -4,-0.3 -2,-0.2 0.799 360.0 360.0 -81.6 -31.8 47.5 36.7 34.8 28 14KL I << 0 0 172 -3,-1.6 -2,-0.2 -4,-0.5 -1,-0.1 0.657 360.0 360.0-104.3 360.0 47.5 39.7 37.1 29 !* 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 30 16 H I 0 0 1 0, 0.0 2,-0.4 0, 0.0 3,-0.3 0.000 360.0 360.0 360.0 133.5 31.4 26.6 20.4 31 17 H V B -A 228 0A 4 197,-2.8 197,-1.2 1,-0.2 143,-0.1 -0.850 360.0 -2.3-105.3 135.6 28.8 28.0 22.8 32 18 H E S S+ 0 0 109 141,-0.5 -1,-0.2 -2,-0.4 194,-0.2 0.772 103.9 127.6 57.6 28.6 28.6 31.7 23.7 33 19 H G - 0 0 25 -3,-0.3 2,-0.3 159,-0.1 159,-0.2 0.112 50.8-120.2 -92.6-153.1 31.6 32.3 21.6 34 20 H S E -B 191 0B 70 157,-1.3 157,-2.7 -3,-0.1 2,-0.2 -0.957 30.4 -84.8-147.9 166.1 32.4 34.9 18.8 35 21 H D E -B 190 0B 107 -2,-0.3 155,-0.2 155,-0.2 2,-0.1 -0.533 50.0-122.2 -72.2 139.0 33.3 35.0 15.2 36 22 H A - 0 0 5 153,-3.4 2,-0.1 -2,-0.2 3,-0.1 -0.495 20.6-117.0 -81.3 160.0 37.0 34.8 14.9 37 23 H E > - 0 0 46 1,-0.1 3,-1.5 -2,-0.1 4,-0.2 -0.446 49.9 -79.0 -82.9 161.6 38.9 37.5 13.1 38 24 H I T 3 S+ 0 0 93 1,-0.3 -1,-0.1 -2,-0.1 57,-0.1 -0.424 113.3 1.4 -67.9 141.6 40.7 36.5 9.9 39 25 H G T 3 S+ 0 0 12 2,-0.1 -30,-0.4 1,-0.1 -1,-0.3 0.702 90.9 130.7 56.6 23.6 44.0 34.7 10.5 40 26 H M S < S+ 0 0 6 -3,-1.5 -2,-0.1 1,-0.3 -1,-0.1 0.583 81.8 22.2 -80.2 -12.2 43.5 35.0 14.2 41 27 H S S > S+ 0 0 11 -4,-0.2 3,-1.7 102,-0.1 -1,-0.3 -0.472 71.1 170.5-155.9 69.4 44.2 31.3 14.7 42 28 H P T 3 S+ 0 0 4 0, 0.0 103,-1.8 0, 0.0 51,-0.1 0.388 73.7 63.6 -68.5 0.6 46.4 30.1 11.7 43 29 H W T 3 S+ 0 0 4 101,-0.2 18,-2.5 103,-0.1 2,-0.3 0.406 74.4 117.2-103.2 -3.2 47.2 26.8 13.3 44 30 H Q E < -J 60 0C 3 -3,-1.7 49,-0.8 16,-0.2 50,-0.4 -0.557 46.5-168.2 -71.7 125.2 43.6 25.7 13.3 45 31 H V E -JK 59 92C 0 14,-2.5 14,-0.9 -2,-0.3 2,-0.4 -0.918 12.8-142.3-117.6 140.5 42.9 22.6 11.1 46 32 H M E -JK 58 91C 0 45,-2.5 45,-2.5 -2,-0.3 2,-0.9 -0.857 10.6-141.9-103.3 134.4 39.6 21.2 9.9 47 33 H L E -JK 57 90C 0 10,-3.4 9,-2.6 -2,-0.4 10,-1.0 -0.850 25.2-166.5 -98.6 103.8 39.1 17.5 9.7 48 34 H F E -JK 55 89C 0 41,-2.4 41,-2.6 -2,-0.9 2,-0.4 -0.779 14.0-140.0-100.2 136.5 37.0 16.8 6.6 49 35 H R E > -JK 54 88C 72 5,-2.9 5,-1.1 -2,-0.4 39,-0.2 -0.761 7.5-147.8 -90.9 129.9 35.3 13.5 5.7 50 36 H K T 5S+ 0 0 37 37,-2.1 3,-0.3 -2,-0.4 -1,-0.1 0.933 75.7 46.5 -62.2 -53.6 35.4 12.5 2.0 51 36AH S T 5S+ 0 0 99 1,-0.5 -1,-0.2 36,-0.4 2,-0.1 -0.897 122.2 18.4-151.4 119.1 32.1 10.6 1.7 52 37 H P T 5S- 0 0 80 0, 0.0 -1,-0.5 0, 0.0 2,-0.2 0.508 104.5-122.7 -72.9 153.2 29.7 11.7 2.8 53 38 H Q T 5 + 0 0 71 -3,-0.3 2,-0.3 -2,-0.1 -3,-0.2 -0.402 56.1 132.9 -61.9 128.8 31.3 15.1 2.9 54 39 H E E < -J 49 0C 68 -5,-1.1 -5,-2.9 -2,-0.2 2,-0.6 -0.968 59.3 -92.6-172.2 159.0 31.1 16.4 6.4 55 40 H L E +J 48 0C 36 -2,-0.3 -7,-0.2 -7,-0.2 3,-0.1 -0.687 34.7 173.5 -83.0 115.0 32.9 18.0 9.2 56 41 H L E - 0 0 16 -9,-2.6 2,-0.3 -2,-0.6 176,-0.2 0.960 54.4 -49.6 -83.2 -57.1 34.5 15.5 11.6 57 42 H b E -J 47 0C 2 -10,-1.0 -10,-3.4 176,-0.1 -1,-0.3 -0.965 49.9 -90.1-164.5-178.7 36.5 17.6 14.0 58 43 H G E +J 46 0C 2 176,-2.5 12,-0.4 -2,-0.3 2,-0.3 -0.296 37.8 170.7 -95.2-177.6 39.1 20.4 14.6 59 44 H A E -J 45 0C 0 -14,-0.9 -14,-2.5 10,-0.1 2,-0.4 -0.964 24.4-114.6-176.7 177.3 42.8 20.0 14.9 60 45 H S E -JL 44 68C 0 8,-1.8 8,-2.4 -2,-0.3 2,-0.6 -0.986 16.2-126.2-137.2 147.9 46.0 22.0 15.1 61 46 H L E + L 0 67C 0 -18,-2.5 86,-1.9 -2,-0.4 6,-0.2 -0.823 29.3 168.3 -91.4 113.9 49.0 22.4 12.9 62 47 H I E - 0 0 22 4,-1.4 2,-0.3 -2,-0.6 5,-0.2 0.552 68.1 -3.5-102.0 -9.1 52.3 21.8 14.9 63 48 H S E > S- L 0 66C 33 3,-1.1 3,-0.5 82,-0.1 -1,-0.3 -0.961 85.5 -82.3-170.5 165.1 54.6 21.7 11.9 64 49 H D T 3 S+ 0 0 75 -2,-0.3 74,-1.7 1,-0.2 72,-0.1 0.540 128.1 18.8 -54.7 -7.0 54.8 21.8 8.2 65 50 H R T 3 S+ 0 0 61 72,-0.2 69,-3.6 1,-0.2 2,-0.4 0.505 109.0 77.1-143.9 -3.1 53.9 18.1 8.1 66 51 H W E < -LM 63 133C 30 -3,-0.5 -4,-1.4 67,-0.2 -3,-1.1 -0.921 50.2-166.3-118.4 142.1 52.3 17.0 11.5 67 52 H V E -LM 61 132C 0 65,-2.4 65,-2.6 -2,-0.4 2,-0.5 -0.969 8.4-149.8-127.9 137.3 48.8 17.5 12.8 68 53 H L E +LM 60 131C 0 -8,-2.4 -8,-1.8 -2,-0.3 63,-0.2 -0.932 28.9 149.2-113.7 124.0 47.5 17.0 16.3 69 54 H T E - M 0 130C 0 61,-3.0 61,-1.9 -2,-0.5 2,-0.4 -0.703 49.0 -79.1-136.6-172.7 44.0 16.0 17.0 70 55 H A > - 0 0 0 -12,-0.4 3,-1.4 59,-0.2 4,-0.4 -0.765 32.5-136.0 -93.5 140.0 41.8 14.0 19.5 71 56 H A G >> S+ 0 0 0 -2,-0.4 3,-2.5 1,-0.3 4,-2.0 0.918 100.7 66.5 -61.4 -45.8 41.8 10.3 19.2 72 57 H H G 34 S+ 0 0 2 1,-0.3 -1,-0.3 2,-0.2 162,-0.0 0.595 90.0 69.5 -53.6 -8.8 38.1 9.9 19.6 73 58 H b G <4 S+ 0 0 0 -3,-1.4 -1,-0.3 1,-0.1 -2,-0.2 0.815 114.2 24.4 -76.7 -29.8 37.8 11.8 16.3 74 59 H L T <4 S+ 0 0 2 -3,-2.5 9,-1.6 -4,-0.4 2,-0.3 0.580 130.7 35.0-107.0 -22.1 39.2 8.8 14.4 75 60 H L E < +P 82 0D 35 -4,-2.0 7,-0.2 7,-0.2 -1,-0.2 -0.822 54.6 134.7-149.5 110.1 38.4 6.0 16.7 76 60AH Y E > > -P 81 0D 21 5,-3.0 5,-1.3 -2,-0.3 3,-0.9 -0.653 24.4-170.6-152.3 84.4 35.4 5.4 18.9 77 60BH P G > 5S+ 0 0 48 0, 0.0 3,-3.8 0, 0.0 -1,-0.1 0.863 81.0 63.1 -43.1 -55.5 33.9 2.0 18.8 78 60CH P G 3 5S+ 0 0 72 0, 0.0 44,-0.0 0, 0.0 -2,-0.0 0.875 111.5 38.3 -43.2 -44.7 30.7 2.7 20.8 79 60DH W G < 5S- 0 0 136 -3,-0.9 -3,-0.0 2,-0.1 0, 0.0 0.338 121.7-114.5 -89.6 11.8 29.6 5.1 18.2 80 60EH D T < 5 + 0 0 90 -3,-3.8 2,-0.4 1,-0.2 -5,-0.0 0.973 64.2 151.1 53.6 61.6 30.9 2.7 15.7 81 60FH K E < +P 76 0D 45 -5,-1.3 -5,-3.0 2,-0.0 -1,-0.2 -0.986 8.7 143.6-129.0 121.4 33.7 5.1 14.5 82 60GH N E -P 75 0D 118 -2,-0.4 -7,-0.2 -7,-0.2 -8,-0.1 -0.468 22.4-178.7-158.5 81.0 37.0 3.9 13.1 83 60HH F - 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