==== 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 27-APR-99 1QBV . COMPND 2 MOLECULE: THROMBIN (LIGHT CHAIN); . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR R.BONE,T.LU,C.R.ILLIG,R.M.SOLL,J.C.SPURLINO . 286 4 4 3 1 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12797.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 174 60.8 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 . 79 27.6 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 . 3 1.0 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 . 18 6.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 34 11.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 26 9.1 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 1 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 . 5 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 1AL A 0 0 126 0, 0.0 145,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -29.6 13.5 19.4 20.1 2 1BL D > + 0 0 76 143,-0.1 3,-1.5 2,-0.0 144,-0.1 0.250 360.0 142.6 -95.3 10.6 10.2 18.4 18.7 3 1 L a T 3 + 0 0 30 1,-0.3 142,-0.2 142,-0.1 143,-0.1 -0.047 60.4 14.1 -61.2 143.0 11.0 14.8 19.8 4 2 L G T 3 S+ 0 0 0 140,-2.8 235,-1.5 234,-0.2 2,-0.6 0.475 92.6 112.9 76.7 6.9 8.3 12.6 21.3 5 3 L L < - 0 0 32 -3,-1.5 -1,-0.2 139,-0.3 233,-0.1 -0.945 61.0-142.3-113.6 108.4 5.3 14.7 20.1 6 4 L R > > - 0 0 0 -2,-0.6 5,-2.0 1,-0.1 3,-1.6 -0.596 6.9-137.8 -79.1 130.7 3.4 12.8 17.5 7 5 L P T 3 5S+ 0 0 19 0, 0.0 -1,-0.1 0, 0.0 133,-0.1 0.861 103.7 41.6 -50.8 -37.9 1.9 14.8 14.6 8 6 L L T 3 5S+ 0 0 29 132,-0.4 30,-0.1 29,-0.3 132,-0.0 0.444 129.3 20.4 -97.5 -0.3 -1.4 12.9 14.7 9 7 L F T X>>S+ 0 0 14 -3,-1.6 5,-2.6 28,-0.1 3,-1.6 0.388 126.2 26.6-127.1 -84.7 -1.8 12.8 18.5 10 8 L E G >45S+ 0 0 30 1,-0.3 3,-1.4 3,-0.2 -5,-0.1 0.845 120.6 54.3 -54.0 -47.1 -0.1 15.2 20.9 11 9 L K G 34 - 0 0 5 -2,-0.4 3,-0.5 1,-0.1 4,-0.4 -0.263 36.2 -96.5 -79.7 169.8 -4.5 7.1 21.2 17 14AL K T 3 S+ 0 0 181 1,-0.2 -1,-0.1 2,-0.1 -2,-0.0 0.648 113.8 22.8 -67.8 -20.8 -6.6 4.2 22.5 18 14BL T T >> S+ 0 0 42 2,-0.1 3,-1.2 1,-0.1 4,-0.8 0.379 85.3 102.4-126.6 2.8 -4.4 2.8 25.2 19 14CL E H <> S+ 0 0 0 -3,-0.5 4,-1.9 1,-0.3 3,-0.3 0.814 77.0 66.7 -65.5 -18.3 -2.0 5.6 26.3 20 14DL R H 3> S+ 0 0 140 -4,-0.4 4,-3.3 1,-0.2 -1,-0.3 0.841 91.5 60.7 -65.3 -36.7 -4.2 6.1 29.4 21 14EL E H <> S+ 0 0 45 -3,-1.2 4,-0.6 2,-0.2 -1,-0.2 0.893 106.5 48.4 -57.7 -38.5 -3.2 2.7 30.7 22 14FL L H >< S+ 0 0 0 -4,-0.8 3,-1.6 -3,-0.3 140,-0.4 0.981 113.9 43.9 -62.6 -52.9 0.4 3.9 30.7 23 14GL L H >< S+ 0 0 41 -4,-1.9 3,-1.5 1,-0.3 -2,-0.2 0.897 108.8 57.4 -71.9 -27.1 -0.4 7.1 32.5 24 14HL E H 3< S+ 0 0 140 -4,-3.3 -1,-0.3 1,-0.3 -2,-0.2 0.666 102.6 57.4 -73.9 -14.6 -2.7 5.4 35.0 25 14IL S T << 0 0 27 -3,-1.6 -1,-0.3 -4,-0.6 -2,-0.2 0.488 360.0 360.0 -88.4 -14.8 0.2 3.2 36.0 26 14JL Y < 0 0 56 -3,-1.5 -1,-0.2 -4,-0.4 135,-0.1 -0.666 360.0 360.0 -90.2 360.0 2.5 6.1 36.9 27 !* 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 28 16 H I 0 0 0 0, 0.0 2,-0.5 0, 0.0 3,-0.5 0.000 360.0 360.0 360.0 129.3 4.4 -9.1 19.5 29 17 H V B +A 219 0A 11 190,-2.9 190,-1.6 1,-0.2 143,-0.1 -0.863 360.0 1.0-102.1 127.7 2.4 -11.7 21.4 30 18 H E S S+ 0 0 128 -2,-0.5 -1,-0.2 141,-0.5 187,-0.2 0.828 100.9 128.0 65.7 32.4 -1.1 -10.7 22.7 31 19 H G - 0 0 23 -3,-0.5 2,-0.3 152,-0.1 152,-0.2 -0.316 51.4-121.9 -98.5-171.0 -0.8 -7.1 21.3 32 20 H S E -B 182 0B 72 150,-2.5 150,-2.6 -2,-0.1 2,-0.1 -0.866 35.7 -80.3-126.0 167.6 -3.2 -5.1 19.1 33 21 H D E -B 181 0B 102 -2,-0.3 148,-0.2 148,-0.2 147,-0.1 -0.464 52.0-120.9 -62.7 134.2 -3.0 -3.4 15.8 34 22 H A - 0 0 7 146,-3.1 2,-0.2 -2,-0.1 -1,-0.1 -0.400 24.4-113.1 -68.4 153.5 -1.3 -0.0 16.1 35 23 H E > - 0 0 45 1,-0.1 3,-1.8 -2,-0.1 4,-0.3 -0.547 44.5 -85.6 -76.0 156.2 -3.2 3.1 15.1 36 24 H I T 3 S+ 0 0 87 1,-0.3 -1,-0.1 -2,-0.2 57,-0.1 -0.440 117.1 8.5 -62.0 131.7 -1.9 5.1 12.1 37 25 H G T 3 S+ 0 0 10 -2,-0.1 -29,-0.3 2,-0.1 -1,-0.3 0.494 91.9 124.8 72.7 8.0 0.8 7.5 13.3 38 26 H M S < S+ 0 0 4 -3,-1.8 -2,-0.1 1,-0.3 -22,-0.1 0.790 84.1 21.5 -68.8 -34.9 0.8 5.9 16.8 39 27 H S > + 0 0 11 -4,-0.3 3,-2.3 102,-0.1 -1,-0.3 -0.559 69.5 168.0-131.8 76.9 4.6 5.2 16.7 40 28 H P T 3 S+ 0 0 2 0, 0.0 103,-1.6 0, 0.0 51,-0.1 0.610 75.8 60.0 -75.1 -5.2 6.1 7.5 14.1 41 29 H W T 3 S+ 0 0 2 101,-0.2 18,-2.0 103,-0.1 2,-0.2 0.439 76.3 120.9 -90.4 -6.7 9.6 6.7 15.3 42 30 H Q E < -J 58 0C 4 -3,-2.3 49,-0.8 16,-0.2 2,-0.4 -0.457 44.6-168.0 -66.5 128.8 9.2 3.0 14.5 43 31 H V E -JK 57 90C 0 14,-2.4 14,-1.1 -2,-0.2 2,-0.5 -0.925 14.5-143.3-119.3 142.5 11.7 1.8 12.0 44 32 H M E -JK 56 89C 0 45,-2.8 45,-2.8 -2,-0.4 2,-0.6 -0.950 10.0-146.4-103.0 119.9 11.9 -1.5 10.0 45 33 H L E -JK 55 88C 0 10,-2.7 9,-3.2 -2,-0.5 10,-0.9 -0.824 26.5-166.5 -79.2 124.3 15.4 -3.0 9.4 46 34 H F E -JK 53 87C 0 41,-3.0 41,-2.2 -2,-0.6 2,-0.3 -0.958 16.9-137.5-129.5 119.9 15.0 -4.6 6.0 47 35 H R E > -JK 52 86C 74 5,-3.5 5,-0.8 -2,-0.5 39,-0.2 -0.594 9.0-147.3 -72.6 136.5 17.3 -7.1 4.3 48 36 H K E 5S+J 51 0C 27 37,-1.8 3,-0.3 -2,-0.3 -1,-0.1 0.919 79.7 43.4 -71.2 -50.2 18.0 -6.4 0.6 49 36AH S T 5S+ 0 0 97 1,-0.5 -1,-0.3 36,-0.3 2,-0.1 -0.924 123.8 22.8-150.1 123.2 18.4 -10.1 -0.5 50 37 H P T 5S- 0 0 75 0, 0.0 2,-0.7 0, 0.0 -1,-0.5 0.674 104.3-131.1 -63.7 142.1 16.6 -12.1 0.5 51 38 H Q E 5 +J 48 0C 54 -3,-0.3 2,-0.3 -2,-0.1 229,-0.3 -0.608 53.5 141.5 -64.8 104.6 14.2 -9.1 1.0 52 39 H E E < -J 47 0C 74 -5,-0.8 -5,-3.5 -2,-0.7 2,-0.4 -0.984 60.0 -98.2-146.9 153.3 13.1 -9.8 4.6 53 40 H L E -J 46 0C 32 -2,-0.3 -7,-0.2 -7,-0.2 3,-0.1 -0.679 36.7-179.2 -68.9 124.8 12.4 -7.9 7.8 54 41 H L E - 0 0 23 -9,-3.2 2,-0.3 1,-0.4 169,-0.2 0.807 54.2 -44.2 -87.0 -44.1 15.5 -8.2 10.0 55 42 H b E -J 45 0C 2 -10,-0.9 -10,-2.7 169,-0.1 -1,-0.4 -0.941 56.2 -93.7-175.7 165.0 14.5 -6.3 13.2 56 43 H G E +J 44 0C 2 169,-2.9 12,-0.4 -2,-0.3 2,-0.3 -0.437 40.7 168.8 -88.1-176.2 12.8 -3.2 14.5 57 44 H A E -J 43 0C 0 -14,-1.1 -14,-2.4 -2,-0.2 2,-0.3 -0.905 24.2-115.3-179.1 177.3 14.6 0.0 15.3 58 45 H S E -JL 42 66C 0 8,-1.8 8,-2.5 -2,-0.3 2,-0.6 -0.995 13.1-124.6-142.4 149.4 13.8 3.7 16.2 59 46 H L E + L 0 65C 0 -18,-2.0 86,-2.3 -2,-0.3 6,-0.2 -0.828 30.5 166.1 -96.4 116.9 14.3 7.1 14.7 60 47 H I S S- 0 0 22 4,-2.2 2,-0.3 -2,-0.6 5,-0.2 0.577 70.8 -3.3-109.5 -15.7 16.0 9.4 17.2 61 48 H S S S- 0 0 36 3,-1.3 3,-0.4 85,-0.1 -1,-0.3 -0.919 89.0 -83.4-153.3-172.8 16.9 12.2 14.8 62 49 H D S S+ 0 0 70 -2,-0.3 74,-2.9 1,-0.2 72,-0.1 0.626 128.4 25.5 -73.3 -4.8 16.6 12.9 11.0 63 50 H R S S+ 0 0 62 72,-0.2 69,-3.0 1,-0.1 2,-0.4 0.404 107.9 77.6-132.7 -5.1 19.8 10.9 10.5 64 51 H W E - M 0 131C 19 -3,-0.4 -4,-2.2 67,-0.2 -3,-1.3 -0.963 48.3-170.9-123.4 133.2 20.2 8.5 13.3 65 52 H V E -LM 59 130C 0 65,-2.4 65,-2.3 -2,-0.4 2,-0.4 -0.924 11.6-149.7-120.7 134.9 18.5 5.1 14.0 66 53 H L E +LM 58 129C 0 -8,-2.5 -8,-1.8 -2,-0.4 2,-0.2 -0.891 29.6 147.7-105.1 134.7 18.8 3.2 17.3 67 54 H T E - M 0 128C 0 61,-2.5 61,-1.8 -2,-0.4 2,-0.4 -0.815 49.9 -74.9-148.4-176.8 18.6 -0.6 17.3 68 55 H A > - 0 0 0 -12,-0.4 3,-1.6 -2,-0.2 4,-0.4 -0.786 33.3-134.3 -87.4 136.7 19.9 -3.8 19.1 69 56 H A G >> S+ 0 0 0 -2,-0.4 4,-2.6 1,-0.3 3,-2.0 0.872 104.1 64.1 -57.0 -31.8 23.5 -4.8 18.4 70 57 H H G 34 S+ 0 0 16 1,-0.3 -1,-0.3 2,-0.2 155,-0.0 0.676 88.9 68.2 -72.4 -14.3 22.4 -8.4 18.0 71 58 H b G <4 S+ 0 0 1 -3,-1.6 -1,-0.3 1,-0.1 -2,-0.2 0.735 116.9 24.2 -65.8 -27.3 20.3 -7.4 15.0 72 59 H L T <4 S+ 0 0 1 -3,-2.0 9,-2.7 -4,-0.4 2,-0.4 0.714 130.0 33.4-108.8 -34.3 23.6 -6.7 13.1 73 60 H L E < +P 80 0D 36 -4,-2.6 -1,-0.3 7,-0.2 7,-0.2 -0.955 53.9 138.5-139.1 113.9 26.2 -8.8 14.8 74 60AH Y E > > -P 79 0D 52 5,-2.9 3,-2.0 -2,-0.4 5,-1.9 -0.591 22.6-172.7-154.2 84.2 25.7 -12.3 16.4 75 60BH P G > 5S+ 0 0 47 0, 0.0 3,-2.4 0, 0.0 -1,-0.1 0.797 79.6 67.0 -55.8 -33.5 28.6 -14.6 15.6 76 60CH P G 3 5S+ 0 0 69 0, 0.0 44,-0.0 0, 0.0 43,-0.0 0.765 112.5 35.4 -58.0 -28.9 27.1 -17.8 17.2 77 60DH W G < 5S- 0 0 180 -3,-2.0 3,-0.1 2,-0.1 0, 0.0 0.149 118.0-112.7-103.0 12.3 24.5 -17.6 14.4 78 60EH D T < 5 + 0 0 157 -3,-2.4 2,-0.5 1,-0.2 -5,-0.0 0.888 65.1 153.0 53.3 41.3 27.0 -16.3 11.8 79 60FH K E < +P 74 0D 43 -5,-1.9 -5,-2.9 2,-0.0 -1,-0.2 -0.907 4.3 142.8-102.1 122.7 25.2 -13.0 11.7 80 60GH N E -P 73 0D 113 -2,-0.5 -7,-0.2 -7,-0.2 2,-0.2 -0.456 23.9-175.6-157.9 79.7 27.3 -10.0 10.8 81 60HH F - 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