==== 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-JAN-08 2ZG0 . COMPND 2 MOLECULE: THROMBIN LIGHT CHAIN; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR T.BRANDT,B.BAUM,A.HEINE,G.KLEBE . 287 4 4 3 1 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12817.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 171 59.6 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 26.5 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 . 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 . 17 5.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 34 11.8 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 0 0 1 2 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 1BL A 0 0 123 0, 0.0 146,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -56.5 13.4 20.4 20.3 2 1AL D > + 0 0 64 144,-0.1 3,-1.1 3,-0.0 145,-0.1 0.205 360.0 139.2 -97.0 4.8 10.1 19.4 18.8 3 1 L a T 3 + 0 0 27 1,-0.2 143,-0.2 143,-0.1 144,-0.1 -0.176 58.8 16.9 -57.7 146.6 10.9 15.8 19.8 4 2 L G T 3 S+ 0 0 0 141,-2.9 236,-2.1 1,-0.2 2,-0.6 0.509 90.5 113.0 79.2 3.3 8.2 13.5 21.2 5 3 L L < - 0 0 33 -3,-1.1 -1,-0.2 140,-0.3 234,-0.1 -0.943 60.8-142.6-109.8 107.9 5.2 15.6 20.1 6 4 L R > > - 0 0 0 -2,-0.6 5,-2.3 1,-0.2 3,-1.7 -0.597 6.5-139.8 -85.0 129.5 3.2 13.7 17.5 7 5 L P T 3 5S+ 0 0 16 0, 0.0 -1,-0.2 0, 0.0 134,-0.1 0.815 102.9 44.7 -47.5 -36.5 1.7 15.8 14.7 8 6 L L T 3 5S+ 0 0 29 133,-0.4 31,-0.1 30,-0.3 -2,-0.1 0.519 130.0 17.1 -95.4 1.5 -1.5 13.7 14.7 9 7 L F T X >S+ 0 0 14 -3,-1.7 5,-2.9 29,-0.1 3,-1.6 0.453 128.4 27.2-131.6 -87.6 -2.0 13.6 18.4 10 8 L E G > 5S+ 0 0 30 1,-0.3 3,-1.4 3,-0.2 -5,-0.1 0.844 119.6 54.6 -54.8 -41.0 -0.1 16.0 20.8 11 9 L K G 3 - 0 0 5 -2,-0.4 3,-0.5 1,-0.1 4,-0.4 -0.416 36.6 -96.7 -79.7 169.5 -4.6 8.2 21.2 17 14AL K T 3 S+ 0 0 174 1,-0.2 -1,-0.1 2,-0.1 -2,-0.0 0.636 113.1 21.3 -63.1 -19.7 -6.8 5.3 22.4 18 14BL T T >> S+ 0 0 49 2,-0.1 3,-1.6 1,-0.1 4,-0.7 0.460 85.7 102.9-132.0 6.1 -4.7 3.9 25.2 19 14CL E H X> S+ 0 0 12 -3,-0.5 4,-1.9 1,-0.3 3,-0.6 0.809 76.4 66.0 -62.1 -26.0 -2.2 6.5 26.3 20 14DL R H 3> S+ 0 0 119 -4,-0.4 4,-2.8 1,-0.2 -1,-0.3 0.828 89.5 66.2 -67.1 -23.9 -4.2 7.2 29.4 21 14EL E H <> S+ 0 0 39 -3,-1.6 4,-0.9 2,-0.2 -1,-0.2 0.895 104.2 46.2 -57.2 -37.4 -3.4 3.6 30.6 22 14FL L H XX S+ 0 0 0 -4,-0.7 3,-1.2 -3,-0.6 4,-0.7 0.976 111.3 49.6 -69.8 -52.7 0.2 4.9 30.8 23 14GL L H >< S+ 0 0 84 -4,-1.9 3,-1.4 1,-0.3 -2,-0.2 0.901 108.1 55.5 -48.3 -45.5 -0.7 8.1 32.7 24 14HL E H 3< S+ 0 0 126 -4,-2.8 -1,-0.3 1,-0.3 -2,-0.2 0.786 103.0 55.5 -68.9 -19.2 -2.8 6.1 35.1 25 14IL S H << S+ 0 0 14 -3,-1.2 2,-2.2 -4,-0.9 -1,-0.3 0.647 81.3 92.9 -84.0 -12.4 0.2 3.9 36.0 26 14JL Y << 0 0 31 -3,-1.4 -1,-0.2 -4,-0.7 136,-0.1 -0.368 360.0 360.0 -87.0 62.9 2.3 6.9 37.0 27 14KL I 0 0 168 -2,-2.2 -1,-0.2 -3,-0.1 -2,-0.1 0.834 360.0 360.0 -90.9 360.0 1.4 6.8 40.6 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 0.000 360.0 360.0 360.0 130.3 4.3 -8.1 19.3 30 17 H V B -A 220 0A 9 190,-2.9 190,-1.6 1,-0.2 143,-0.1 -0.833 360.0 -4.6 -97.9 127.8 2.2 -10.7 21.2 31 18 H E S S+ 0 0 134 -2,-0.5 -1,-0.2 141,-0.4 187,-0.2 0.746 102.1 119.1 64.6 28.5 -1.3 -9.8 22.5 32 19 H G - 0 0 29 -3,-0.4 2,-0.3 188,-0.1 152,-0.2 -0.170 55.9-119.9 -98.8-157.0 -1.1 -6.2 21.4 33 20 H S E -B 183 0B 62 150,-2.5 150,-2.5 -2,-0.1 2,-0.1 -0.894 33.7 -72.3-140.4 170.0 -3.3 -4.3 18.9 34 21 H D E -B 182 0B 106 -2,-0.3 148,-0.2 148,-0.2 147,-0.1 -0.450 54.6-116.8 -59.3 133.6 -3.1 -2.5 15.6 35 22 H A - 0 0 7 146,-3.1 2,-0.2 59,-0.1 -1,-0.1 -0.336 23.4-115.6 -65.7 152.2 -1.4 0.9 15.8 36 23 H E > - 0 0 48 1,-0.1 3,-1.8 -2,-0.0 4,-0.3 -0.547 45.9 -87.0 -76.5 154.3 -3.4 4.1 15.1 37 24 H I T 3 S+ 0 0 88 1,-0.3 -1,-0.1 -2,-0.2 57,-0.1 -0.411 115.2 7.1 -61.9 130.4 -2.1 6.1 12.1 38 25 H G T 3 S+ 0 0 11 -2,-0.2 -30,-0.3 104,-0.1 -1,-0.3 0.608 92.0 124.1 76.1 5.0 0.6 8.4 13.3 39 26 H M S < S+ 0 0 7 -3,-1.8 -2,-0.1 1,-0.3 -33,-0.1 0.739 84.7 22.5 -74.0 -19.9 0.7 6.9 16.8 40 27 H S > + 0 0 13 -4,-0.3 3,-2.6 102,-0.1 -1,-0.3 -0.514 68.9 164.9-142.9 63.4 4.4 6.1 16.6 41 28 H P T 3 S+ 0 0 3 0, 0.0 103,-2.0 0, 0.0 51,-0.2 0.557 74.7 61.3 -70.9 -2.0 5.9 8.4 14.0 42 29 H W T 3 S+ 0 0 3 101,-0.2 18,-2.0 103,-0.1 2,-0.2 0.390 76.7 120.4 -96.7 -2.5 9.5 7.7 15.3 43 30 H Q E < -J 59 0C 2 -3,-2.6 49,-0.8 16,-0.2 50,-0.4 -0.440 43.6-171.5 -69.5 132.1 9.1 4.0 14.4 44 31 H V E -JK 58 91C 0 14,-2.5 14,-1.3 -2,-0.2 2,-0.5 -0.936 16.1-145.2-125.1 144.1 11.7 2.8 11.9 45 32 H M E -JK 57 90C 0 45,-2.3 45,-2.4 -2,-0.3 2,-0.5 -0.965 11.3-144.6-108.9 125.2 11.9 -0.5 10.0 46 33 H L E -JK 56 89C 0 10,-2.6 9,-3.2 -2,-0.5 10,-1.4 -0.805 29.5-165.1 -80.6 125.2 15.4 -1.9 9.3 47 34 H F E -JK 54 88C 0 41,-3.1 41,-2.2 -2,-0.5 2,-0.4 -0.960 19.5-130.1-130.0 133.5 15.1 -3.5 5.9 48 35 H R E > -JK 53 87C 81 5,-3.2 5,-1.1 -2,-0.4 39,-0.2 -0.648 8.9-155.2 -78.0 131.5 17.2 -5.9 4.0 49 36 H K T 5S+ 0 0 46 37,-1.9 3,-0.4 -2,-0.4 -1,-0.1 0.919 78.7 52.3 -66.2 -50.7 18.0 -5.0 0.3 50 36AH S T 5S+ 0 0 102 1,-0.5 -1,-0.3 36,-0.4 2,-0.1 -0.918 124.0 13.9-143.4 118.7 18.6 -8.5 -0.8 51 37 H P T 5S- 0 0 78 0, 0.0 -1,-0.5 0, 0.0 2,-0.3 0.588 104.5-126.1 -70.9 145.1 16.5 -10.6 -0.3 52 38 H Q T 5 + 0 0 50 -3,-0.4 230,-0.3 -2,-0.1 2,-0.3 -0.421 55.8 131.4 -64.8 119.2 14.1 -7.7 0.6 53 39 H E E < -J 48 0C 55 -5,-1.1 -5,-3.2 -2,-0.3 2,-0.1 -0.983 62.2 -88.1-164.3 153.7 12.8 -8.5 4.0 54 40 H L E +J 47 0C 32 -2,-0.3 -7,-0.2 -7,-0.2 3,-0.1 -0.464 39.0 174.0 -63.1 136.9 12.2 -6.9 7.5 55 41 H L E - 0 0 33 -9,-3.2 2,-0.3 1,-0.5 169,-0.2 0.700 54.7 -35.2-110.8 -36.5 15.2 -7.2 9.7 56 42 H b E -J 46 0C 3 -10,-1.4 -10,-2.6 169,-0.1 -1,-0.5 -0.974 56.0 -95.5-169.4 171.7 14.4 -5.3 12.8 57 43 H G E +J 45 0C 2 169,-3.8 12,-0.4 -2,-0.3 2,-0.3 -0.479 40.1 166.4 -94.8 172.1 12.7 -2.3 14.4 58 44 H A E -J 44 0C 0 -14,-1.3 -14,-2.5 -2,-0.2 2,-0.3 -0.903 24.0-117.8-171.6 177.0 14.4 1.0 15.2 59 45 H S E -JL 43 67C 0 8,-1.9 8,-2.7 -2,-0.3 2,-0.6 -0.989 13.6-125.5-141.3 148.3 13.7 4.6 16.1 60 46 H L E + L 0 66C 0 -18,-2.0 86,-2.2 -2,-0.3 6,-0.2 -0.793 28.0 168.9 -88.9 119.9 14.2 8.1 14.7 61 47 H I - 0 0 22 4,-2.5 2,-0.3 -2,-0.6 5,-0.2 0.452 69.4 -11.7-113.3 -4.6 15.9 10.4 17.2 62 48 H S S S- 0 0 40 3,-1.1 -1,-0.2 85,-0.1 3,-0.2 -0.952 88.9 -74.3-171.0-173.0 16.6 13.3 14.8 63 49 H D S S+ 0 0 78 -2,-0.3 74,-2.7 1,-0.2 72,-0.1 0.684 129.8 22.6 -73.9 -11.0 16.5 14.1 11.1 64 50 H R S S+ 0 0 71 72,-0.2 69,-2.7 1,-0.1 2,-0.4 0.352 108.4 79.3-132.5 3.2 19.7 12.0 10.4 65 51 H W E - M 0 132C 9 67,-0.2 -4,-2.5 -3,-0.2 -3,-1.1 -0.968 46.8-173.7-127.1 134.1 20.0 9.5 13.3 66 52 H V E -LM 60 131C 0 65,-2.3 65,-2.9 -2,-0.4 2,-0.4 -0.934 12.5-150.2-120.4 138.1 18.3 6.1 13.9 67 53 H L E +LM 59 130C 0 -8,-2.7 -8,-1.9 -2,-0.4 2,-0.3 -0.888 27.8 150.1-109.7 139.0 18.7 4.1 17.1 68 54 H T E - M 0 129C 0 61,-2.7 61,-2.0 -2,-0.4 2,-0.4 -0.849 49.1 -72.7-153.4-175.5 18.5 0.3 17.2 69 55 H A > - 0 0 0 -12,-0.4 3,-1.7 -2,-0.3 4,-0.4 -0.714 34.5-134.5 -86.4 138.0 19.7 -2.9 19.0 70 56 H A G >> S+ 0 0 0 -2,-0.4 4,-2.6 1,-0.3 3,-2.2 0.892 104.9 63.7 -58.1 -36.7 23.3 -3.8 18.3 71 57 H H G 34 S+ 0 0 19 1,-0.3 -1,-0.3 2,-0.2 155,-0.0 0.671 88.7 69.8 -66.8 -13.0 22.2 -7.5 17.8 72 58 H b G <4 S+ 0 0 1 -3,-1.7 -1,-0.3 1,-0.1 -2,-0.2 0.736 117.0 21.8 -67.3 -23.5 20.2 -6.3 14.8 73 59 H L T <4 S+ 0 0 2 -3,-2.2 9,-3.1 -4,-0.4 2,-0.4 0.738 129.4 34.4-113.5 -36.9 23.5 -5.7 13.0 74 60 H L E < +P 81 0D 37 -4,-2.6 -1,-0.3 7,-0.2 7,-0.2 -0.959 54.7 138.2-136.5 109.7 26.2 -7.8 14.7 75 60AH Y E > > -P 80 0D 53 5,-2.8 3,-2.5 -2,-0.4 5,-1.7 -0.545 22.8-173.2-150.6 82.3 25.6 -11.2 16.2 76 60BH P G > 5S+ 0 0 44 0, 0.0 3,-2.1 0, 0.0 -1,-0.1 0.769 79.6 67.6 -51.4 -35.2 28.5 -13.7 15.5 77 60CH P G 3 5S+ 0 0 71 0, 0.0 44,-0.0 0, 0.0 43,-0.0 0.786 112.1 36.9 -58.6 -18.0 26.9 -16.8 16.9 78 60DH W G < 5S- 0 0 183 -3,-2.5 3,-0.1 2,-0.1 0, 0.0 0.183 118.5-112.7-112.6 14.2 24.4 -16.5 14.1 79 60EH D T < 5 + 0 0 155 -3,-2.1 2,-0.6 1,-0.2 -5,-0.0 0.870 65.3 154.1 53.0 41.7 27.0 -15.3 11.6 80 60FH K E < +P 75 0D 45 -5,-1.7 -5,-2.8 2,-0.0 -1,-0.2 -0.876 7.5 141.6-103.3 123.9 25.3 -11.9 11.5 81 60GH N E -P 74 0D 116 -2,-0.6 -7,-0.2 -7,-0.2 2,-0.2 -0.563 25.1-175.0-154.5 82.0 27.4 -8.9 10.6 82 60HH F - 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