==== 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 04-FEB-08 2ZHF . COMPND 2 MOLECULE: THROMBIN LIGHT CHAIN; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR T.BRANDT,B.BAUM,A.HEINE,G.KLEBE . 286 4 4 3 1 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12585.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 177 61.9 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 . 21 7.3 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 0 2 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 1BL A 0 0 119 0, 0.0 146,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -56.6 13.5 20.3 20.5 2 1AL D > + 0 0 71 144,-0.1 3,-1.2 3,-0.0 145,-0.1 0.074 360.0 133.0-108.3 13.3 10.2 19.6 18.9 3 1 L a T 3 + 0 0 24 1,-0.2 143,-0.2 143,-0.1 144,-0.1 -0.255 57.8 23.9 -58.7 153.4 11.0 16.0 19.6 4 2 L G T 3 S+ 0 0 0 141,-2.7 236,-1.9 1,-0.2 2,-0.6 0.487 90.8 111.8 77.1 1.4 8.4 13.7 21.1 5 3 L L < - 0 0 32 -3,-1.2 -1,-0.2 140,-0.3 234,-0.1 -0.946 61.1-142.3-112.7 110.6 5.4 15.7 19.9 6 4 L R > > - 0 0 0 -2,-0.6 5,-2.7 1,-0.2 3,-1.4 -0.566 6.6-141.9 -79.4 128.2 3.4 13.9 17.3 7 5 L P T 3 5S+ 0 0 12 0, 0.0 -1,-0.2 0, 0.0 134,-0.1 0.876 103.4 45.0 -49.2 -40.5 1.9 15.9 14.4 8 6 L L T 3 5S+ 0 0 29 133,-0.5 31,-0.1 30,-0.3 133,-0.1 0.578 130.1 15.6 -91.0 0.1 -1.2 13.8 14.5 9 7 L F T X>>S+ 0 0 16 -3,-1.4 5,-3.0 29,-0.1 3,-1.2 0.492 128.5 27.8-131.1 -82.2 -1.7 13.8 18.2 10 8 L E G >45S+ 0 0 32 1,-0.3 3,-1.2 3,-0.2 -5,-0.1 0.864 119.9 54.0 -54.3 -40.8 0.1 16.2 20.6 11 9 L K G 34> S+ 0 0 51 2,-0.1 3,-1.1 3,-0.0 4,-0.8 0.430 85.5 99.2-134.2 5.0 -4.4 4.0 25.0 19 14CL E H >> S+ 0 0 14 -3,-0.5 4,-1.9 1,-0.3 3,-0.7 0.849 79.8 64.7 -62.7 -27.1 -1.9 6.8 26.1 20 14DL R H 3> S+ 0 0 125 -4,-0.4 4,-2.7 1,-0.2 -1,-0.3 0.880 91.1 63.1 -64.3 -30.4 -4.1 7.3 29.1 21 14EL E H <> S+ 0 0 44 -3,-1.1 4,-0.6 2,-0.2 -1,-0.2 0.875 104.5 48.8 -60.5 -30.5 -3.2 3.9 30.4 22 14FL L H X< S+ 0 0 0 -4,-0.8 3,-1.3 -3,-0.7 4,-0.5 0.974 110.5 48.9 -70.6 -53.1 0.4 5.1 30.6 23 14GL L H >< S+ 0 0 80 -4,-1.9 3,-1.9 1,-0.3 -2,-0.2 0.900 107.3 55.7 -49.6 -46.4 -0.5 8.3 32.5 24 14HL E H 3< S+ 0 0 135 -4,-2.7 -1,-0.3 1,-0.3 -2,-0.2 0.776 103.9 54.4 -69.1 -16.8 -2.6 6.4 34.9 25 14IL S T << S+ 0 0 19 -3,-1.3 2,-2.2 -4,-0.6 -1,-0.3 0.559 77.7 104.0 -85.3 -9.9 0.4 4.2 35.8 26 14JL Y < 0 0 25 -3,-1.9 -1,-0.1 -4,-0.5 136,-0.1 -0.530 360.0 360.0 -87.4 74.2 2.5 7.2 36.6 27 14KL I 0 0 173 -2,-2.2 -1,-0.2 132,-0.1 134,-0.1 0.457 360.0 360.0 112.2 360.0 2.3 6.7 40.3 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,-0.4 0.000 360.0 360.0 360.0 132.1 4.5 -8.0 19.0 30 17 H V B +A 220 0A 8 190,-3.2 190,-1.9 1,-0.2 143,-0.1 -0.896 360.0 4.3-113.1 137.9 2.3 -10.5 20.7 31 18 H E S S+ 0 0 130 -2,-0.5 -1,-0.2 141,-0.4 187,-0.2 0.811 101.4 125.7 66.5 35.9 -1.1 -9.7 22.3 32 19 H G - 0 0 23 -3,-0.4 2,-0.3 152,-0.1 152,-0.2 -0.249 54.8-121.7-102.4-170.1 -0.8 -6.1 21.0 33 20 H S E -B 183 0B 83 150,-2.2 150,-2.0 -2,-0.1 2,-0.1 -0.871 35.4 -81.0-130.7 166.2 -3.1 -4.1 18.8 34 21 H D E -B 182 0B 110 -2,-0.3 148,-0.2 148,-0.2 147,-0.1 -0.549 52.3-114.4 -64.9 142.3 -2.9 -2.3 15.5 35 22 H A - 0 0 7 146,-2.7 2,-0.2 59,-0.1 -1,-0.1 -0.314 25.8-115.8 -63.1 149.0 -1.2 1.1 15.8 36 23 H E > - 0 0 54 1,-0.1 3,-1.8 -2,-0.1 4,-0.3 -0.573 45.6 -85.3 -79.7 156.5 -3.2 4.2 15.0 37 24 H I T 3 S+ 0 0 90 1,-0.3 -1,-0.1 -2,-0.2 57,-0.1 -0.426 116.2 7.1 -61.9 129.4 -2.0 6.2 12.0 38 25 H G T 3 S+ 0 0 11 -2,-0.2 -30,-0.3 104,-0.1 -1,-0.3 0.595 92.3 123.8 76.0 6.5 0.8 8.6 13.1 39 26 H M S < S+ 0 0 7 -3,-1.8 -2,-0.1 1,-0.3 -33,-0.1 0.750 83.6 24.2 -73.1 -27.5 0.9 7.0 16.6 40 27 H S > + 0 0 12 -4,-0.3 3,-2.4 102,-0.1 -1,-0.3 -0.578 68.2 163.0-136.7 65.6 4.6 6.2 16.4 41 28 H P T 3 S+ 0 0 1 0, 0.0 103,-1.6 0, 0.0 51,-0.2 0.610 76.1 59.4 -70.1 -10.7 6.1 8.6 13.8 42 29 H W T 3 S+ 0 0 2 101,-0.2 18,-2.3 103,-0.1 104,-0.1 0.436 78.9 121.9 -86.8 -5.8 9.7 7.8 15.1 43 30 H Q E < -J 59 0C 1 -3,-2.4 49,-0.8 16,-0.2 50,-0.4 -0.400 44.2-169.0 -66.7 131.5 9.2 4.1 14.2 44 31 H V E -JK 58 91C 0 14,-2.9 14,-0.8 47,-0.1 2,-0.5 -0.942 15.0-145.7-122.7 143.6 11.8 2.9 11.7 45 32 H M E -JK 57 90C 0 45,-2.4 45,-2.4 -2,-0.4 2,-0.6 -0.937 9.3-147.6-106.0 125.8 12.0 -0.3 9.7 46 33 H L E -JK 56 89C 0 10,-2.3 9,-3.4 -2,-0.5 10,-1.2 -0.835 25.8-165.9 -85.8 124.3 15.4 -1.8 9.1 47 34 H F E -JK 54 88C 0 41,-2.3 41,-1.7 -2,-0.6 2,-0.3 -0.966 18.4-136.8-125.1 122.0 15.1 -3.5 5.7 48 35 H R E > -JK 53 87C 83 5,-2.9 5,-1.1 -2,-0.5 39,-0.2 -0.624 11.1-149.9 -76.5 135.0 17.4 -6.0 4.0 49 36 H K E > 5S+J 52 0C 41 37,-1.6 3,-0.6 -2,-0.3 -1,-0.1 0.838 77.5 51.9 -70.6 -38.4 17.9 -5.2 0.3 50 36AH S T 3 5S+ 0 0 100 1,-0.5 -1,-0.3 36,-0.3 2,-0.1 -0.867 121.8 17.6-155.1 112.9 18.4 -8.7 -0.8 51 37 H P T 3 5S- 0 0 82 0, 0.0 -1,-0.5 0, 0.0 2,-0.2 0.486 105.4-127.2 -72.1 134.4 16.4 -10.8 -0.2 52 38 H Q E < 5 +J 49 0C 55 -3,-0.6 229,-0.3 -2,-0.1 2,-0.3 -0.330 56.1 135.1 -52.3 111.5 14.1 -7.9 0.6 53 39 H E E < -J 48 0C 69 -5,-1.1 -5,-2.9 -2,-0.2 2,-0.2 -0.987 61.4 -86.0-156.8 158.7 12.9 -8.6 4.2 54 40 H L E +J 47 0C 34 -2,-0.3 -7,-0.2 -7,-0.2 3,-0.1 -0.527 38.4 177.1 -65.2 135.3 12.3 -7.0 7.5 55 41 H L E - 0 0 24 -9,-3.4 2,-0.3 1,-0.5 -8,-0.2 0.745 53.1 -48.4-106.7 -40.3 15.4 -7.0 9.6 56 42 H b E -J 46 0C 3 -10,-1.2 -10,-2.3 169,-0.1 -1,-0.5 -0.967 54.7 -85.1-173.4 178.8 14.5 -5.2 12.8 57 43 H G E +J 45 0C 1 169,-4.4 12,-0.4 -2,-0.3 2,-0.3 -0.409 43.1 164.9 -92.7 174.8 12.9 -2.2 14.4 58 44 H A E -J 44 0C 0 -14,-0.8 -14,-2.9 -2,-0.2 2,-0.3 -0.907 24.2-120.5-177.1 172.7 14.6 1.1 15.0 59 45 H S E -JL 43 67C 0 8,-2.4 8,-3.1 -2,-0.3 2,-0.6 -0.982 13.1-124.6-138.5 149.4 13.8 4.7 15.9 60 46 H L E + L 0 66C 0 -18,-2.3 86,-2.3 -2,-0.3 6,-0.2 -0.753 30.2 165.9 -89.3 118.7 14.3 8.2 14.4 61 47 H I - 0 0 26 4,-2.4 2,-0.3 -2,-0.6 5,-0.2 0.570 69.5 -3.6-111.6 -9.3 16.1 10.5 16.9 62 48 H S S S- 0 0 35 3,-1.3 3,-0.3 85,-0.1 -1,-0.2 -0.935 89.6 -79.7-161.4-176.1 16.9 13.3 14.5 63 49 H D S S+ 0 0 72 -2,-0.3 74,-2.6 1,-0.2 72,-0.1 0.716 129.6 19.4 -74.3 -13.2 16.6 14.1 10.8 64 50 H R S S+ 0 0 66 72,-0.2 69,-2.5 1,-0.1 2,-0.4 0.316 108.3 84.0-133.5 20.2 19.7 11.9 10.0 65 51 H W E - M 0 132C 14 -3,-0.3 -4,-2.4 67,-0.2 -3,-1.3 -0.984 48.0-171.7-124.9 133.8 20.2 9.6 13.0 66 52 H V E -LM 60 131C 0 65,-2.2 65,-2.2 -2,-0.4 2,-0.4 -0.947 12.4-147.9-120.3 132.8 18.5 6.2 13.7 67 53 H L E +LM 59 130C 0 -8,-3.1 -8,-2.4 -2,-0.4 2,-0.3 -0.838 29.8 148.6-103.8 139.5 18.8 4.3 16.9 68 54 H T E - M 0 129C 0 61,-2.4 61,-2.6 -2,-0.4 2,-0.4 -0.899 48.3 -73.9-152.7-177.6 18.7 0.5 17.0 69 55 H A >> - 0 0 0 -12,-0.4 3,-1.7 -2,-0.3 4,-0.5 -0.719 32.1-136.3 -84.8 136.0 19.9 -2.6 18.8 70 56 H A H >> S+ 0 0 0 -2,-0.4 4,-2.4 1,-0.3 3,-1.9 0.895 105.3 62.2 -53.7 -40.8 23.5 -3.6 18.2 71 57 H H H 34 S+ 0 0 23 1,-0.3 -1,-0.3 2,-0.2 176,-0.0 0.663 90.8 68.2 -65.5 -16.7 22.4 -7.2 17.8 72 58 H b H <4 S+ 0 0 1 -3,-1.7 -1,-0.3 1,-0.2 -2,-0.2 0.728 116.5 23.9 -69.8 -25.7 20.3 -6.1 14.7 73 59 H L H << S+ 0 0 2 -3,-1.9 9,-2.1 -4,-0.5 2,-0.4 0.741 129.5 34.9-109.1 -34.2 23.5 -5.4 12.8 74 60 H L E < +P 81 0D 36 -4,-2.4 -1,-0.3 7,-0.2 7,-0.2 -0.961 54.0 137.3-137.1 115.3 26.2 -7.6 14.5 75 60AH Y E > > -P 80 0D 52 5,-3.2 3,-2.6 -2,-0.4 5,-1.3 -0.520 22.3-173.4-157.5 78.8 25.7 -11.0 16.0 76 60BH P G > 5S+ 0 0 45 0, 0.0 3,-2.4 0, 0.0 -1,-0.1 0.777 79.7 67.5 -48.3 -39.1 28.6 -13.4 15.2 77 60CH P G 3 5S+ 0 0 68 0, 0.0 44,-0.0 0, 0.0 43,-0.0 0.786 112.0 36.0 -54.1 -23.9 27.0 -16.5 16.7 78 60DH W G < 5S- 0 0 184 -3,-2.6 3,-0.1 2,-0.1 -3,-0.0 0.110 119.7-110.9-112.1 18.1 24.4 -16.3 14.0 79 60EH D T < 5 + 0 0 154 -3,-2.4 2,-0.5 1,-0.2 -5,-0.0 0.912 66.4 152.3 48.7 50.7 26.9 -15.1 11.4 80 60FH K E < +P 75 0D 49 -5,-1.3 -5,-3.2 1,-0.0 -1,-0.2 -0.949 6.7 139.4-113.4 123.9 25.3 -11.7 11.3 81 60GH N E -P 74 0D 125 -2,-0.5 -7,-0.2 -7,-0.2 2,-0.1 -0.369 29.5-167.9-155.7 70.7 27.5 -8.7 10.4 82 60HH F - 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