==== 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 16-FEB-98 1A5G . COMPND 2 MOLECULE: ALPHA-THROMBIN (SMALL SUBUNIT); . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR R.ST CHARLES,A.TULINSKY,M.KAHN . 288 5 4 3 1 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12748.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 178 61.8 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 . 77 26.7 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 . 2 0.7 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 . 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 . 19 6.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 31 10.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 28 9.7 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 0 2 0 0 0 1 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 1 1 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 1BL A 0 0 128 0, 0.0 146,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -43.7 13.5 19.6 19.8 2 1AL D > + 0 0 75 144,-0.1 3,-1.6 3,-0.0 145,-0.1 0.174 360.0 149.2-105.1 8.4 10.0 18.4 18.8 3 1 L a T 3 + 0 0 33 1,-0.2 143,-0.2 143,-0.1 144,-0.1 -0.051 61.6 8.3 -49.9 143.0 10.9 14.8 19.9 4 2 L G T 3 S+ 0 0 0 141,-2.7 236,-0.9 235,-0.2 2,-0.7 0.479 91.2 116.5 67.6 6.1 8.1 12.6 21.1 5 3 L L < - 0 0 34 -3,-1.6 -1,-0.2 140,-0.2 234,-0.1 -0.947 61.8-140.2-106.0 110.2 5.1 14.9 20.2 6 4 L R > > - 0 0 0 -2,-0.7 3,-1.9 1,-0.1 5,-1.7 -0.580 6.2-137.4 -75.0 127.0 3.2 12.9 17.6 7 5 L P T 3 5S+ 0 0 18 0, 0.0 -1,-0.1 0, 0.0 134,-0.1 0.872 104.0 39.3 -48.5 -41.1 1.7 14.9 14.7 8 6 L L T 3 5S+ 0 0 30 133,-0.5 31,-0.1 30,-0.3 133,-0.0 0.382 129.7 22.5 -97.4 5.4 -1.6 13.0 14.9 9 7 L F T X>>S+ 0 0 15 -3,-1.9 3,-2.4 29,-0.1 5,-2.3 0.381 126.0 27.4-132.7 -91.8 -2.0 12.8 18.6 10 8 L E G >45S+ 0 0 26 1,-0.3 3,-0.6 3,-0.2 -2,-0.1 0.782 121.0 52.8 -45.3 -45.2 -0.2 15.3 20.9 11 9 L K G 34> S+ 0 0 43 2,-0.1 3,-1.3 1,-0.1 4,-0.8 0.414 85.6 103.2-135.7 6.5 -4.5 3.1 25.2 19 14CL E H 3> S+ 0 0 2 -3,-0.4 4,-1.9 1,-0.2 3,-0.3 0.806 77.3 65.5 -60.6 -26.9 -2.2 5.8 26.4 20 14DL R H 3> S+ 0 0 159 -4,-0.5 4,-2.7 1,-0.2 -1,-0.2 0.793 91.9 61.6 -63.4 -31.7 -4.3 6.4 29.5 21 14EL E H <> S+ 0 0 42 -3,-1.3 4,-0.7 2,-0.2 -1,-0.2 0.938 106.2 48.4 -58.0 -42.4 -3.4 2.9 30.8 22 14FL L H >X S+ 0 0 0 -4,-0.8 3,-2.6 -3,-0.3 4,-0.7 0.989 114.6 43.3 -56.1 -67.8 0.2 4.2 30.8 23 14GL L H >< S+ 0 0 45 -4,-1.9 3,-0.8 1,-0.3 -1,-0.2 0.799 107.7 59.2 -50.2 -38.9 -0.6 7.4 32.6 24 14HL E H 3< S+ 0 0 129 -4,-2.7 -1,-0.3 1,-0.2 -2,-0.2 0.647 102.8 55.4 -68.0 -14.7 -2.9 5.7 35.1 25 14IL S H << S+ 0 0 17 -3,-2.6 -1,-0.2 -4,-0.7 -2,-0.2 0.628 84.2 73.9 -90.0 -24.4 0.1 3.6 36.2 26 14JL Y << 0 0 16 -3,-0.8 -1,-0.2 -4,-0.7 -3,-0.1 -0.029 360.0 360.0 -75.6 25.6 2.4 6.4 37.0 27 14KL I 0 0 164 134,-0.1 -2,-0.3 0, 0.0 -1,-0.1 0.976 360.0 360.0 56.8 360.0 -0.2 6.2 39.7 28 !* 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 29 16 H I 0 0 0 0, 0.0 2,-0.5 0, 0.0 3,-0.3 0.000 360.0 360.0 360.0 141.3 4.1 -9.1 19.8 30 17 H V B +A 220 0A 10 190,-3.0 190,-1.4 1,-0.2 143,-0.1 -0.958 360.0 1.3-115.1 124.4 1.9 -11.5 21.8 31 18 H E S S+ 0 0 127 -2,-0.5 -1,-0.2 141,-0.3 187,-0.2 0.801 101.2 124.9 67.6 36.6 -1.5 -10.5 23.1 32 19 H G - 0 0 29 -3,-0.3 2,-0.3 152,-0.1 152,-0.2 0.112 53.0-127.4-103.5-155.9 -1.2 -7.0 21.6 33 20 H S E -B 183 0B 65 150,-1.3 150,-2.3 -2,-0.1 2,-0.0 -0.937 36.7 -77.2-154.1 160.4 -3.5 -5.1 19.1 34 21 H D E -B 182 0B 107 -2,-0.3 148,-0.3 148,-0.2 147,-0.1 -0.387 52.8-120.0 -61.0 143.2 -3.1 -3.4 15.8 35 22 H A - 0 0 6 146,-2.9 2,-0.2 59,-0.1 -1,-0.1 -0.468 26.5-112.8 -75.8 159.6 -1.5 -0.0 16.3 36 23 H E > - 0 0 46 1,-0.1 3,-1.6 -2,-0.1 4,-0.3 -0.507 47.4 -79.4 -83.0 162.0 -3.4 3.1 15.1 37 24 H I T 3 S+ 0 0 91 1,-0.3 -1,-0.1 -2,-0.2 57,-0.1 -0.417 117.5 6.8 -65.1 140.4 -2.1 5.1 12.1 38 25 H G T 3 S+ 0 0 12 -2,-0.1 -30,-0.3 104,-0.1 -1,-0.3 0.642 89.7 128.0 59.9 21.1 0.8 7.5 13.3 39 26 H M S < S+ 0 0 8 -3,-1.6 -2,-0.1 1,-0.3 -23,-0.1 0.784 83.9 19.7 -74.3 -28.8 0.8 5.9 16.8 40 27 H S > + 0 0 12 -4,-0.3 3,-2.0 102,-0.1 -1,-0.3 -0.658 68.5 169.5-140.0 71.2 4.6 5.3 16.8 41 28 H P T 3 S+ 0 0 1 0, 0.0 103,-1.7 0, 0.0 51,-0.1 0.558 77.0 61.6 -68.3 -0.6 6.0 7.5 14.1 42 29 H W T 3 S+ 0 0 1 101,-0.2 18,-2.8 103,-0.1 104,-0.1 0.571 76.7 118.3 -99.2 -11.1 9.6 6.6 15.3 43 30 H Q E < -J 59 0C 4 -3,-2.0 49,-1.0 16,-0.2 50,-0.3 -0.308 45.2-173.0 -62.1 129.8 9.0 3.0 14.5 44 31 H V E -JK 58 91C 0 14,-1.7 14,-1.1 47,-0.2 2,-0.5 -0.965 19.4-133.7-126.2 153.6 11.5 1.7 11.9 45 32 H M E -JK 57 90C 0 45,-2.7 45,-2.1 -2,-0.3 2,-0.6 -0.930 9.0-147.6-114.4 127.3 11.9 -1.5 9.9 46 33 H L E -JK 56 89C 0 10,-3.2 9,-2.4 -2,-0.5 10,-0.7 -0.834 30.9-172.4 -89.6 112.0 15.3 -3.2 9.6 47 34 H F E -JK 54 88C 0 41,-3.1 41,-2.2 -2,-0.6 2,-0.4 -0.938 22.1-135.4-127.6 132.9 15.1 -4.7 6.1 48 35 H R E > -JK 53 87C 78 5,-3.6 5,-0.9 -2,-0.5 39,-0.2 -0.607 7.1-150.4 -82.0 131.6 17.3 -7.1 4.3 49 36 H K E 5S+J 52 0C 37 37,-1.6 3,-0.2 -2,-0.4 -1,-0.1 0.838 80.2 48.3 -64.2 -40.8 18.0 -6.3 0.6 50 36AH S T 5S+ 0 0 97 1,-0.6 2,-0.3 36,-0.4 -1,-0.3 -0.813 123.5 17.4-158.6 111.8 18.6 -9.9 -0.4 51 37 H P T 5S- 0 0 84 0, 0.0 2,-0.6 0, 0.0 -1,-0.6 0.714 105.4-125.8 -64.2 159.8 16.7 -12.0 0.3 52 38 H Q E 5 +J 49 0C 59 -2,-0.3 2,-0.3 -3,-0.2 230,-0.2 -0.822 55.1 139.1 -81.7 118.4 14.2 -9.2 1.1 53 39 H E E < -J 48 0C 66 -5,-0.9 -5,-3.6 -2,-0.6 2,-0.4 -0.957 58.9 -96.5-161.5 152.8 13.2 -9.8 4.6 54 40 H L E +J 47 0C 34 -2,-0.3 -7,-0.2 -7,-0.2 3,-0.1 -0.701 36.6 173.1 -73.4 129.7 12.4 -8.2 8.0 55 41 H L E - 0 0 28 -9,-2.4 2,-0.3 -2,-0.4 169,-0.2 0.780 56.9 -38.6 -99.3 -57.6 15.4 -8.4 10.2 56 42 H b E -J 46 0C 2 -10,-0.7 -10,-3.2 169,-0.1 -1,-0.4 -0.935 55.2 -97.1-163.4 174.1 14.4 -6.3 13.3 57 43 H G E +J 45 0C 2 169,-3.1 12,-0.3 168,-0.3 2,-0.3 -0.366 38.9 175.9 -89.9 178.5 12.6 -3.2 14.5 58 44 H A E -J 44 0C 0 -14,-1.1 -14,-1.7 -2,-0.1 2,-0.4 -0.934 22.8-116.7-170.1 176.9 14.4 0.1 15.3 59 45 H S E -JL 43 67C 0 8,-2.1 8,-2.1 -2,-0.3 2,-0.5 -1.000 15.0-129.1-137.6 141.7 13.6 3.6 16.4 60 46 H L E + L 0 66C 0 -18,-2.8 86,-2.0 -2,-0.4 6,-0.2 -0.775 29.6 169.1 -87.7 120.7 14.1 7.0 14.8 61 47 H I - 0 0 21 4,-2.4 2,-0.3 -2,-0.5 5,-0.2 0.504 68.4 -8.5-109.8 -8.7 15.9 9.4 17.2 62 48 H S S S- 0 0 36 3,-1.1 -1,-0.4 85,-0.1 3,-0.3 -0.906 89.2 -82.1-168.0-178.4 16.8 12.3 14.9 63 49 H D S S+ 0 0 61 -2,-0.3 74,-2.9 1,-0.2 72,-0.1 0.543 128.6 30.3 -80.1 -3.2 16.6 12.8 11.2 64 50 H R S S+ 0 0 50 72,-0.2 69,-3.2 1,-0.1 2,-0.4 0.403 108.5 77.4-125.2 -4.1 19.9 11.0 10.6 65 51 H W E - M 0 132C 9 -3,-0.3 -4,-2.4 67,-0.2 -3,-1.1 -0.925 46.8-175.5-119.9 133.8 20.0 8.5 13.5 66 52 H V E -LM 60 131C 0 65,-2.3 65,-2.3 -2,-0.4 2,-0.4 -0.973 15.3-148.3-119.0 138.8 18.3 5.1 14.1 67 53 H L E +LM 59 130C 0 -8,-2.1 -8,-2.1 -2,-0.4 2,-0.2 -0.918 28.3 155.2-109.3 131.9 18.7 3.1 17.4 68 54 H T E - M 0 129C 0 61,-2.4 61,-2.0 -2,-0.4 2,-0.4 -0.759 48.5 -80.6-147.0 178.8 18.6 -0.7 17.5 69 55 H A > - 0 0 0 -12,-0.3 3,-1.7 59,-0.3 4,-0.3 -0.838 36.1-135.3 -84.9 129.4 19.8 -3.8 19.4 70 56 H A G >> S+ 0 0 0 -2,-0.4 4,-2.2 1,-0.3 3,-2.0 0.826 102.8 66.5 -56.5 -33.4 23.4 -4.7 18.5 71 57 H H G 34 S+ 0 0 2 1,-0.3 -1,-0.3 2,-0.2 9,-0.0 0.624 86.6 68.0 -67.1 -15.3 22.4 -8.3 18.1 72 58 H b G <4 S+ 0 0 1 -3,-1.7 -1,-0.3 1,-0.1 -2,-0.2 0.711 114.8 29.2 -71.4 -21.8 20.3 -7.5 15.0 73 59 H L T <4 S+ 0 0 1 -3,-2.0 9,-3.7 -4,-0.3 2,-0.4 0.783 128.8 30.3-103.4 -39.5 23.5 -6.7 13.3 74 60 H L E < +P 81 0D 33 -4,-2.2 -1,-0.3 7,-0.3 7,-0.2 -0.978 54.7 139.6-138.9 117.7 26.1 -8.9 14.9 75 60AH Y E > > -P 80 0D 22 5,-3.2 5,-2.3 -2,-0.4 3,-1.8 -0.643 21.5-173.5-156.0 84.7 25.6 -12.3 16.4 76 60BH P G > 5S+ 0 0 48 0, 0.0 3,-3.5 0, 0.0 -1,-0.1 0.870 80.2 68.4 -52.3 -43.7 28.4 -14.8 15.6 77 60CH P G 3 5S+ 0 0 68 0, 0.0 44,-0.0 0, 0.0 43,-0.0 0.675 111.7 35.7 -47.2 -27.2 26.8 -17.8 17.2 78 60DH W G < 5S- 0 0 132 -3,-1.8 3,-0.1 2,-0.1 0, 0.0 0.145 118.1-108.1-114.1 13.9 24.2 -17.6 14.4 79 60EH D T < 5 + 0 0 160 -3,-3.5 2,-0.6 1,-0.2 -5,-0.0 0.732 68.5 151.0 63.0 33.3 26.6 -16.4 11.7 80 60FH K E < +P 75 0D 44 -5,-2.3 -5,-3.2 1,-0.1 -1,-0.2 -0.851 5.4 141.1-103.9 114.4 25.1 -12.9 11.7 81 60GH N E -P 74 0D 109 -2,-0.6 -7,-0.3 -7,-0.2 2,-0.2 -0.494 25.8-174.8-144.6 76.1 27.4 -10.0 10.8 82 60HH F - 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