==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=30-AUG-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE/HYDROLASE INHIBITOR 12-SEP-12 3VXE . COMPND 2 MOLECULE: THROMBIN LIGHT CHAIN; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR T.YAMADA,K.KURIHARA,K.MASUMI,T.TAMADA,K.TOMOYORI,Y.OHNISHI,I . 295 4 4 3 1 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13206.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 180 61.0 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 . 81 27.5 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 . 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 . 17 5.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 37 12.5 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 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 5 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 0 1 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 0 106 0, 0.0 3,-2.0 0, 0.0 60,-0.0 0.000 360.0 360.0 360.0 -32.1 6.6 -16.2 22.7 2 1BL A T 3 + 0 0 91 1,-0.3 144,-0.0 144,-0.0 0, 0.0 0.849 360.0 36.2 -58.4 -37.2 6.8 -15.3 26.4 3 1AL D T > S+ 0 0 65 142,-0.0 3,-1.1 2,-0.0 -1,-0.3 0.108 89.4 142.6 -99.8 16.4 3.6 -17.4 27.3 4 1 L a T < + 0 0 19 -3,-2.0 141,-0.2 1,-0.2 142,-0.1 -0.187 59.9 17.7 -59.3 151.3 4.3 -20.2 24.8 5 2 L G T 3 S+ 0 0 0 139,-2.9 241,-1.9 1,-0.2 2,-0.6 0.537 89.7 114.6 76.1 7.7 3.5 -23.9 25.6 6 3 L L < - 0 0 23 -3,-1.1 -1,-0.2 138,-0.3 239,-0.1 -0.950 59.1-143.0-112.9 112.8 1.1 -23.2 28.5 7 4 L R > > - 0 0 0 -2,-0.6 5,-2.2 1,-0.1 3,-1.5 -0.614 7.2-140.0 -85.5 131.3 -2.4 -24.3 27.7 8 5 L P T 3 5S+ 0 0 20 0, 0.0 -1,-0.1 0, 0.0 132,-0.1 0.840 103.8 42.4 -51.0 -37.9 -5.3 -22.2 29.0 9 6 L L T 3 5S+ 0 0 32 131,-0.4 29,-0.1 28,-0.3 131,-0.0 0.474 129.3 21.5 -94.9 2.0 -7.4 -25.3 29.8 10 7 L F T X >S+ 0 0 13 -3,-1.5 5,-2.4 27,-0.1 3,-1.5 0.491 127.4 25.0-129.1 -87.1 -4.6 -27.4 31.4 11 8 L E G > 5S+ 0 0 14 1,-0.3 3,-1.5 2,-0.2 -5,-0.1 0.884 122.5 52.8 -56.4 -42.8 -1.4 -25.8 32.7 12 9 L K G 3 - 0 0 5 -2,-0.4 3,-0.5 21,-0.1 4,-0.5 -0.355 38.9 -97.6 -81.2 170.1 -5.1 -34.2 30.2 18 14AL K T 3 S+ 0 0 108 1,-0.2 -1,-0.1 2,-0.1 4,-0.1 0.635 117.1 28.5 -73.0 -14.0 -5.7 -37.9 30.3 19 14BL T T >> S+ 0 0 39 2,-0.1 4,-0.9 1,-0.1 3,-0.8 0.380 88.4 99.6-125.8 5.7 -2.5 -39.1 28.8 20 14CL E H X> S+ 0 0 5 -3,-0.5 4,-1.8 1,-0.2 3,-0.8 0.883 79.7 58.4 -57.4 -40.1 0.0 -36.4 29.8 21 14DL R H 3> S+ 0 0 137 -4,-0.5 4,-2.8 1,-0.3 -1,-0.2 0.845 95.1 64.7 -64.3 -27.9 1.4 -38.4 32.7 22 14EL E H <> S+ 0 0 54 -3,-0.8 4,-0.9 2,-0.2 -1,-0.3 0.891 103.2 49.2 -59.0 -38.1 2.3 -41.2 30.3 23 14FL L H X< S+ 0 0 10 -4,-0.9 3,-1.1 -3,-0.8 139,-0.5 0.969 111.0 48.0 -66.6 -50.5 4.8 -38.7 28.8 24 14GL L H 3< S+ 0 0 75 -4,-1.8 -2,-0.2 1,-0.3 -1,-0.2 0.887 106.3 57.5 -59.3 -39.9 6.3 -37.7 32.1 25 14HL E H 3< 0 0 149 -4,-2.8 -1,-0.3 1,-0.3 -2,-0.2 0.770 360.0 360.0 -61.6 -25.0 6.7 -41.3 33.2 26 14IL S << 0 0 47 -3,-1.1 -1,-0.3 -4,-0.9 -2,-0.2 0.636 360.0 360.0 -78.0 360.0 8.8 -42.0 30.1 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,-0.4 0, 0.0 3,-0.4 0.000 360.0 360.0 360.0 125.0 -3.4 -40.8 13.2 29 17 H V B -A 226 0A 10 197,-2.8 197,-1.8 1,-0.2 143,-0.1 -0.841 360.0 -3.2 -99.4 131.4 -3.6 -44.6 13.6 30 18 H E S S+ 0 0 126 141,-0.5 -1,-0.2 -2,-0.4 194,-0.1 0.795 100.9 122.6 59.2 38.1 -4.6 -46.2 17.0 31 19 H G - 0 0 30 -3,-0.4 2,-0.3 159,-0.1 159,-0.2 -0.153 55.1-117.4-102.6-158.8 -4.8 -42.8 18.8 32 20 H S E -B 189 0B 58 157,-2.3 157,-2.5 -2,-0.1 2,-0.2 -0.928 34.9 -77.8-139.7 165.0 -7.7 -41.3 20.6 33 21 H D E -B 188 0B 108 -2,-0.3 155,-0.2 155,-0.2 154,-0.1 -0.422 52.6-115.5 -63.8 135.1 -9.9 -38.3 20.4 34 22 H A - 0 0 7 153,-3.0 2,-0.2 -2,-0.2 -1,-0.1 -0.387 25.2-119.2 -65.2 145.3 -8.3 -35.1 21.6 35 23 H E > - 0 0 62 1,-0.1 3,-2.1 -2,-0.1 4,-0.3 -0.506 46.8 -79.9 -73.5 158.2 -9.7 -33.4 24.6 36 24 H I T 3 S+ 0 0 83 1,-0.3 -1,-0.1 -2,-0.2 57,-0.1 -0.360 116.3 3.1 -62.7 131.8 -10.9 -29.8 24.2 37 25 H G T 3 S+ 0 0 12 2,-0.1 -28,-0.3 104,-0.1 -1,-0.3 0.608 91.9 126.3 69.1 13.3 -8.0 -27.4 24.2 38 26 H M S < S+ 0 0 5 -3,-2.1 -2,-0.1 1,-0.3 -1,-0.1 0.809 84.5 22.1 -73.1 -26.8 -5.5 -30.2 24.5 39 27 H S S > S+ 0 0 13 -4,-0.3 3,-2.4 102,-0.1 -1,-0.3 -0.610 70.8 165.3-135.9 65.2 -3.4 -29.1 21.5 40 28 H P T 3 S+ 0 0 2 0, 0.0 103,-1.6 0, 0.0 51,-0.2 0.588 74.5 61.5 -73.4 -4.7 -4.3 -25.4 21.1 41 29 H W T 3 S+ 0 0 2 101,-0.2 18,-2.2 103,-0.1 104,-0.1 0.438 77.3 119.4 -88.4 -7.9 -1.3 -24.8 18.8 42 30 H Q E < -K 58 0C 4 -3,-2.4 49,-0.9 16,-0.2 2,-0.4 -0.411 44.7-169.8 -66.4 136.1 -2.8 -27.3 16.3 43 31 H V E -KL 57 90C 0 14,-2.6 14,-1.4 47,-0.2 2,-0.5 -0.955 15.6-144.7-124.2 143.8 -3.5 -25.8 12.9 44 32 H M E -KL 56 89C 0 45,-2.8 45,-2.6 -2,-0.4 2,-0.7 -0.934 10.6-146.4-101.7 127.0 -5.4 -27.2 9.9 45 33 H L E -KL 55 88C 4 10,-2.9 9,-2.6 -2,-0.5 10,-1.1 -0.861 26.9-168.3 -91.4 116.5 -4.1 -26.3 6.5 46 34 H F E -KL 53 87C 3 41,-3.0 41,-2.3 -2,-0.7 2,-0.3 -0.927 17.3-135.1-118.1 126.4 -7.3 -26.1 4.4 47 35 H R E > -KL 52 86C 85 5,-2.8 5,-0.9 -2,-0.5 39,-0.2 -0.564 8.3-148.4 -78.3 139.0 -7.6 -25.8 0.6 48 36 H K T 5S+ 0 0 85 37,-2.3 -1,-0.1 -2,-0.3 3,-0.1 0.916 78.3 46.5 -72.6 -45.5 -10.1 -23.3 -0.7 49 36AH S T 5S+ 0 0 96 36,-0.5 -1,-0.3 1,-0.3 2,-0.2 -0.925 120.4 18.8-151.9 118.6 -11.1 -25.1 -3.8 50 37 H P T 5S- 0 0 82 0, 0.0 -1,-0.3 0, 0.0 2,-0.3 0.707 103.7-115.1 -63.0 160.8 -11.8 -28.0 -3.8 51 38 H Q T 5 + 0 0 65 -2,-0.2 2,-0.3 -3,-0.1 -3,-0.2 -0.496 56.5 151.7 -66.5 129.5 -12.4 -28.1 -0.1 52 39 H E E < -K 47 0C 28 -5,-0.9 -5,-2.8 -2,-0.3 2,-0.7 -0.974 53.0-119.8-159.4 140.3 -9.7 -30.4 1.3 53 40 H L E +K 46 0C 39 -2,-0.3 -7,-0.2 -7,-0.2 3,-0.1 -0.747 34.9 177.3 -74.1 119.0 -7.6 -31.1 4.4 54 41 H L E - 0 0 27 -9,-2.6 2,-0.3 -2,-0.7 -1,-0.2 0.889 51.8 -47.7 -91.5 -40.9 -4.2 -30.6 3.0 55 42 H b E -K 45 0C 3 -10,-1.1 -10,-2.9 176,-0.1 -1,-0.4 -0.960 53.6 -93.9-174.4 169.8 -2.0 -31.1 6.1 56 43 H G E +K 44 0C 2 176,-2.8 12,-0.4 -2,-0.3 2,-0.3 -0.438 38.1 173.1 -92.3-178.3 -1.6 -30.1 9.7 57 44 H A E -K 43 0C 0 -14,-1.4 -14,-2.6 -2,-0.2 2,-0.4 -0.930 22.1-118.5-170.6-179.0 0.6 -27.3 11.0 58 45 H S E -KM 42 66C 0 8,-2.3 8,-2.7 -2,-0.3 2,-0.5 -0.994 14.8-123.0-144.5 147.7 1.3 -25.5 14.3 59 46 H L E + M 0 65C 0 -18,-2.2 86,-2.2 -2,-0.4 6,-0.2 -0.783 29.6 168.1 -89.0 123.5 1.0 -22.1 15.7 60 47 H I - 0 0 16 4,-2.5 2,-0.3 -2,-0.5 5,-0.2 0.500 68.9 -8.4-116.1 -7.3 4.3 -20.6 17.0 61 48 H S S S- 0 0 26 3,-1.2 -1,-0.3 85,-0.1 3,-0.2 -0.937 88.9 -78.3-165.8-176.7 3.3 -17.0 17.5 62 49 H D S S+ 0 0 78 -2,-0.3 74,-2.1 1,-0.2 72,-0.1 0.619 129.1 23.6 -70.8 -9.4 0.4 -14.8 16.7 63 50 H R S S+ 0 0 60 72,-0.2 69,-2.8 1,-0.1 2,-0.4 0.411 108.7 78.4-133.3 2.6 1.5 -14.4 13.1 64 51 H W E - N 0 131C 15 -3,-0.2 -4,-2.5 67,-0.2 -3,-1.2 -0.955 48.2-174.2-127.0 134.7 3.6 -17.5 12.3 65 52 H V E -MN 59 130C 0 65,-2.3 65,-2.6 -2,-0.4 2,-0.4 -0.976 12.8-148.2-125.0 133.9 2.7 -21.1 11.5 66 53 H L E +MN 58 129C 0 -8,-2.7 -8,-2.3 -2,-0.4 2,-0.2 -0.810 28.6 147.1-101.9 141.4 5.0 -24.0 11.0 67 54 H T E - N 0 128C 0 61,-2.7 61,-2.2 -2,-0.4 2,-0.4 -0.861 50.6 -73.8-153.7-177.8 4.4 -26.9 8.7 68 55 H A > - 0 0 0 -12,-0.4 3,-1.4 59,-0.3 4,-0.4 -0.729 36.2-131.5 -84.1 141.2 6.2 -29.5 6.5 69 56 H A G >> S+ 0 0 0 -2,-0.4 4,-2.4 1,-0.3 3,-2.0 0.857 104.9 62.8 -55.9 -39.6 7.5 -28.1 3.2 70 57 H H G 34 S+ 0 0 2 1,-0.3 -1,-0.3 2,-0.2 162,-0.0 0.644 88.7 70.0 -70.5 -12.2 6.0 -30.9 1.2 71 58 H b G <4 S+ 0 0 1 -3,-1.4 -1,-0.3 1,-0.1 -2,-0.2 0.716 116.1 25.0 -65.2 -21.8 2.5 -29.8 2.3 72 59 H L T <4 S+ 0 0 3 -3,-2.0 9,-2.5 -4,-0.4 2,-0.4 0.680 132.1 30.0-111.7 -32.9 3.1 -26.8 0.0 73 60 H L E < +Q 80 0D 36 -4,-2.4 -1,-0.3 7,-0.2 7,-0.2 -0.952 57.6 140.0-140.5 113.5 5.6 -28.0 -2.6 74 60AH Y E > > -Q 79 0D 14 5,-2.9 5,-2.1 -2,-0.4 3,-2.0 -0.601 22.7-172.3-154.3 82.1 6.0 -31.6 -3.8 75 60BH P G > 5S+ 0 0 49 0, 0.0 3,-2.5 0, 0.0 -1,-0.1 0.791 79.6 67.1 -53.4 -34.1 6.6 -31.8 -7.6 76 60CH P G 3 5S+ 0 0 62 0, 0.0 44,-0.0 0, 0.0 -2,-0.0 0.767 111.0 38.2 -63.0 -17.4 6.3 -35.6 -7.9 77 60DH W G < 5S- 0 0 137 -3,-2.0 3,-0.1 2,-0.1 -3,-0.0 0.082 119.6-109.8-112.7 19.3 2.6 -35.2 -7.0 78 60EH D T < 5 + 0 0 159 -3,-2.5 2,-0.6 1,-0.2 0, 0.0 0.823 67.1 153.8 57.7 33.8 2.3 -31.9 -9.1 79 60FH K E < +Q 74 0D 44 -5,-2.1 -5,-2.9 2,-0.0 -1,-0.2 -0.815 7.8 138.1-102.2 119.9 1.9 -30.0 -5.8 80 60GH N E -Q 73 0D 118 -2,-0.6 -7,-0.2 -7,-0.2 2,-0.2 -0.590 29.2-171.7-155.7 89.0 2.9 -26.3 -5.8 81 60HH F - 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