==== 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 3VXF . 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 . 296 4 4 3 1 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13303.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 176 59.5 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 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 . 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 . 15 5.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 36 12.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 27 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 . 6 4 1 3 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 78 0, 0.0 3,-1.7 0, 0.0 61,-0.0 0.000 360.0 360.0 360.0 178.9 5.4 -16.0 22.8 2 1BL A T 3 + 0 0 86 1,-0.3 0, 0.0 0, 0.0 0, 0.0 0.811 360.0 47.4 -62.6 -35.7 6.1 -15.5 26.5 3 1AL D T > S+ 0 0 80 143,-0.0 3,-1.2 2,-0.0 -1,-0.3 0.139 84.2 144.0 -87.9 12.9 3.0 -17.7 27.3 4 1 L a T < + 0 0 19 -3,-1.7 142,-0.2 1,-0.2 143,-0.1 -0.154 60.8 15.9 -61.1 151.4 3.8 -20.5 24.9 5 2 L G T 3 S+ 0 0 0 140,-2.7 242,-1.7 1,-0.2 2,-0.5 0.526 90.2 113.9 72.3 6.5 3.0 -24.1 25.7 6 3 L L < - 0 0 27 -3,-1.2 -1,-0.2 139,-0.3 240,-0.1 -0.961 59.0-141.9-112.6 114.9 0.6 -23.5 28.6 7 4 L R > > - 0 0 0 -2,-0.5 5,-2.3 1,-0.1 3,-1.6 -0.677 5.8-141.5 -83.3 132.9 -2.9 -24.6 27.8 8 5 L P T 3 5S+ 0 0 21 0, 0.0 -1,-0.1 0, 0.0 133,-0.1 0.835 103.0 42.9 -54.7 -38.6 -5.9 -22.5 29.1 9 6 L L T 3 5S+ 0 0 31 132,-0.4 30,-0.1 29,-0.3 132,-0.0 0.412 129.9 19.6 -91.7 -2.7 -8.0 -25.6 29.9 10 7 L F T X >S+ 0 0 13 -3,-1.6 5,-2.3 28,-0.1 3,-1.5 0.454 126.7 27.6-129.5 -86.1 -5.2 -27.6 31.5 11 8 L E G > 5S+ 0 0 10 1,-0.3 3,-1.7 3,-0.2 -2,-0.1 0.872 120.7 54.1 -54.9 -41.2 -1.9 -26.1 32.8 12 9 L K G 3 - 0 0 6 -2,-0.3 3,-0.5 22,-0.1 4,-0.5 -0.399 37.6 -95.1 -86.4 169.7 -5.5 -34.5 30.5 18 14AL K T 3 S+ 0 0 103 1,-0.2 -1,-0.1 2,-0.1 4,-0.1 0.713 117.7 24.2 -60.9 -30.7 -6.2 -38.2 30.4 19 14BL T T >> S+ 0 0 36 2,-0.1 3,-0.9 1,-0.1 4,-0.8 0.351 88.5 104.6-122.5 10.5 -2.9 -39.5 29.1 20 14CL E H X> S+ 0 0 8 -3,-0.5 4,-1.8 1,-0.2 3,-0.7 0.862 76.3 58.3 -53.8 -42.3 -0.5 -36.8 30.2 21 14DL R H 3> S+ 0 0 169 -4,-0.5 4,-3.0 1,-0.3 -1,-0.2 0.842 94.7 65.9 -66.7 -26.1 1.0 -38.7 33.1 22 14EL E H <> S+ 0 0 55 -3,-0.9 4,-0.9 1,-0.2 -1,-0.3 0.864 103.2 48.0 -61.7 -39.0 2.0 -41.5 30.6 23 14FL L H XX S+ 0 0 0 -4,-0.8 3,-0.8 -3,-0.7 4,-0.6 0.951 111.6 48.1 -63.3 -49.7 4.4 -39.0 29.1 24 14GL L H >< S+ 0 0 56 -4,-1.8 3,-1.4 1,-0.3 -2,-0.2 0.891 106.7 57.2 -62.6 -40.6 5.8 -37.8 32.4 25 14HL E H 3< S+ 0 0 144 -4,-3.0 -1,-0.3 1,-0.3 -2,-0.2 0.805 102.7 55.4 -59.2 -26.2 6.3 -41.4 33.6 26 14IL S H << 0 0 30 -4,-0.9 -1,-0.3 -3,-0.8 -2,-0.2 0.690 360.0 360.0 -83.9 -13.5 8.5 -42.1 30.6 27 14JL Y << 0 0 56 -3,-1.4 -2,-0.2 -4,-0.6 -1,-0.2 0.883 360.0 360.0 -95.6 360.0 10.9 -39.2 31.4 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 0.000 360.0 360.0 360.0 128.9 -3.7 -41.4 13.5 30 17 H V B -A 227 0A 9 197,-2.9 197,-1.5 1,-0.2 143,-0.1 -0.857 360.0 -0.3-103.8 128.9 -3.8 -45.3 14.0 31 18 H E S S+ 0 0 129 -2,-0.5 -1,-0.2 141,-0.5 194,-0.1 0.833 100.9 122.9 64.1 35.3 -4.7 -46.8 17.3 32 19 H G - 0 0 29 -3,-0.3 2,-0.3 159,-0.1 159,-0.2 -0.219 54.6-117.9-101.0-162.5 -5.2 -43.5 19.1 33 20 H S E -B 190 0B 57 157,-2.3 157,-2.3 -2,-0.1 2,-0.1 -0.911 35.3 -77.9-137.6 165.8 -8.1 -42.0 20.9 34 21 H D E -B 189 0B 100 -2,-0.3 155,-0.2 155,-0.2 154,-0.1 -0.419 52.9-117.3 -63.4 137.2 -10.4 -39.0 20.6 35 22 H A - 0 0 6 153,-3.0 2,-0.2 -2,-0.1 -1,-0.1 -0.406 24.5-116.0 -69.9 149.7 -8.7 -35.8 21.8 36 23 H E > - 0 0 60 1,-0.1 3,-1.9 -2,-0.1 4,-0.3 -0.517 44.6 -83.7 -75.6 157.6 -10.1 -33.9 24.8 37 24 H I T 3 S+ 0 0 86 1,-0.3 -1,-0.1 -2,-0.2 57,-0.1 -0.390 115.9 5.0 -61.4 128.3 -11.5 -30.4 24.2 38 25 H G T 3 S+ 0 0 12 -2,-0.2 -29,-0.3 55,-0.1 -1,-0.3 0.589 91.8 126.2 77.4 8.6 -8.6 -27.9 24.3 39 26 H M S < S+ 0 0 4 -3,-1.9 -2,-0.1 1,-0.3 -22,-0.1 0.780 83.8 21.4 -70.4 -33.5 -6.0 -30.7 24.6 40 27 H S > + 0 0 13 -4,-0.3 3,-2.2 102,-0.1 -1,-0.3 -0.609 69.4 166.9-134.4 70.6 -3.9 -29.5 21.7 41 28 H P T 3 S+ 0 0 3 0, 0.0 103,-1.8 0, 0.0 51,-0.2 0.594 75.1 61.9 -77.4 -0.6 -4.8 -25.8 21.2 42 29 H W T 3 S+ 0 0 1 101,-0.2 18,-2.1 103,-0.1 2,-0.2 0.446 76.5 117.8 -92.0 -6.2 -1.9 -25.3 18.8 43 30 H Q E < -K 59 0C 6 -3,-2.2 49,-0.9 16,-0.2 2,-0.3 -0.464 45.7-169.3 -70.4 132.9 -3.2 -27.8 16.3 44 31 H V E -KL 58 91C 0 14,-2.5 14,-1.3 -2,-0.2 2,-0.5 -0.928 15.3-143.1-120.6 146.6 -4.0 -26.3 12.9 45 32 H M E -KL 57 90C 0 45,-2.7 45,-2.2 -2,-0.3 2,-0.6 -0.943 10.0-147.0-105.8 126.1 -5.9 -27.7 9.9 46 33 H L E -KL 56 89C 0 10,-2.8 9,-2.7 -2,-0.5 10,-1.1 -0.854 25.6-168.4 -91.0 120.9 -4.6 -26.8 6.5 47 34 H F E -KL 54 88C 0 41,-2.7 41,-2.2 -2,-0.6 2,-0.3 -0.942 18.3-136.8-125.8 126.3 -7.7 -26.7 4.3 48 35 H R E > -KL 53 87C 98 5,-2.8 5,-1.0 -2,-0.5 39,-0.2 -0.614 9.8-148.5 -78.9 138.5 -8.0 -26.5 0.5 49 36 H K T 5S+ 0 0 72 37,-2.3 3,-0.1 -2,-0.3 -1,-0.1 0.912 77.4 49.0 -74.4 -39.6 -10.6 -24.0 -0.7 50 36AH S T 5S+ 0 0 91 36,-0.4 -1,-0.3 1,-0.4 2,-0.2 -0.924 119.7 18.5-155.8 116.9 -11.6 -25.8 -3.9 51 37 H P T 5S- 0 0 78 0, 0.0 2,-0.5 0, 0.0 -1,-0.4 0.720 105.6-118.3 -62.0 165.3 -12.3 -28.7 -3.9 52 38 H Q T 5 + 0 0 82 -2,-0.2 2,-0.3 -3,-0.1 236,-0.2 -0.578 56.2 135.1 -78.7 123.2 -12.9 -28.7 -0.2 53 39 H E E < -K 48 0C 72 -5,-1.0 -5,-2.8 -2,-0.5 2,-0.5 -0.986 58.7-101.7-166.1 159.8 -10.5 -31.0 1.6 54 40 H L E +K 47 0C 32 -2,-0.3 -7,-0.2 -7,-0.2 3,-0.1 -0.713 35.6 174.0 -79.2 121.3 -8.2 -31.6 4.4 55 41 H L E - 0 0 26 -9,-2.7 2,-0.3 -2,-0.5 176,-0.2 0.830 53.8 -42.7 -94.7 -42.4 -4.6 -31.3 3.2 56 42 H b E -K 46 0C 1 -10,-1.1 -10,-2.8 176,-0.1 -1,-0.4 -0.972 53.4 -95.7-173.2 164.4 -2.5 -31.6 6.3 57 43 H G E +K 45 0C 2 176,-2.9 12,-0.4 -2,-0.3 2,-0.3 -0.428 37.0 172.9 -89.0 175.1 -2.0 -30.6 9.8 58 44 H A E -K 44 0C 0 -14,-1.3 -14,-2.5 -2,-0.2 2,-0.4 -0.925 22.5-118.5-166.1 179.2 0.1 -27.8 11.1 59 45 H S E -KM 43 67C 0 8,-2.2 8,-2.8 -2,-0.3 2,-0.6 -0.995 15.2-124.3-138.9 147.5 0.9 -26.0 14.4 60 46 H L E + M 0 66C 0 -18,-2.1 86,-2.2 -2,-0.4 6,-0.2 -0.757 29.0 169.9 -91.1 120.5 0.5 -22.5 15.7 61 47 H I - 0 0 13 4,-2.4 2,-0.3 -2,-0.6 5,-0.2 0.545 67.3 -11.5-111.9 -8.3 3.8 -21.0 17.0 62 48 H S S S- 0 0 24 3,-1.1 -1,-0.2 85,-0.1 3,-0.1 -0.918 88.7 -75.7-167.0-171.7 2.8 -17.4 17.6 63 49 H D S S+ 0 0 79 -2,-0.3 74,-2.3 1,-0.2 72,-0.1 0.685 128.9 24.1 -72.9 -14.6 -0.1 -15.2 16.8 64 50 H R S S+ 0 0 98 72,-0.2 69,-2.6 1,-0.1 2,-0.4 0.376 109.2 77.0-128.1 -1.3 1.0 -14.8 13.1 65 51 H W E - N 0 132C 15 67,-0.2 -4,-2.4 -3,-0.1 -3,-1.1 -0.963 48.3-172.3-126.3 138.7 3.1 -17.9 12.3 66 52 H V E -MN 60 131C 0 65,-2.2 65,-2.3 -2,-0.4 2,-0.4 -0.938 12.9-148.0-127.1 136.4 2.2 -21.5 11.5 67 53 H L E +MN 59 130C 0 -8,-2.8 -8,-2.2 -2,-0.4 2,-0.2 -0.895 28.9 147.5-106.3 138.3 4.6 -24.4 11.1 68 54 H T E - N 0 129C 0 61,-2.6 61,-2.1 -2,-0.4 2,-0.4 -0.827 49.7 -73.8-150.9-173.9 4.0 -27.4 8.8 69 55 H A > - 0 0 0 -12,-0.4 3,-1.5 59,-0.3 4,-0.4 -0.762 35.5-132.9 -89.1 137.6 5.8 -29.9 6.5 70 56 H A G >> S+ 0 0 0 -2,-0.4 4,-2.4 1,-0.3 3,-1.9 0.866 103.4 63.2 -55.4 -39.4 7.1 -28.6 3.2 71 57 H H G 34 S+ 0 0 0 1,-0.3 -1,-0.3 2,-0.2 9,-0.1 0.668 88.9 68.4 -68.6 -11.7 5.6 -31.5 1.3 72 58 H b G <4 S+ 0 0 1 -3,-1.5 -1,-0.3 1,-0.1 -2,-0.2 0.750 116.3 27.0 -68.3 -24.2 2.1 -30.4 2.3 73 59 H L T <4 S+ 0 0 2 -3,-1.9 9,-2.6 -4,-0.4 2,-0.4 0.742 131.3 28.7-108.9 -37.7 2.7 -27.4 0.0 74 60 H L E < +Q 81 0D 32 -4,-2.4 -1,-0.3 7,-0.2 7,-0.2 -0.956 58.8 139.1-136.6 110.5 5.2 -28.5 -2.6 75 60AH Y E > > -Q 80 0D 16 5,-2.8 3,-1.9 -2,-0.4 5,-1.8 -0.597 24.5-170.1-150.9 91.7 5.6 -32.1 -3.8 76 60BH P G > 5S+ 0 0 47 0, 0.0 3,-2.2 0, 0.0 -1,-0.1 0.781 80.2 66.4 -55.6 -33.9 6.2 -32.4 -7.5 77 60CH P G 3 5S+ 0 0 69 0, 0.0 44,-0.0 0, 0.0 43,-0.0 0.752 111.2 38.1 -62.7 -19.0 5.8 -36.2 -7.9 78 60DH W G < 5S- 0 0 134 -3,-1.9 3,-0.1 2,-0.1 -3,-0.0 0.084 119.1-110.3-114.3 21.2 2.1 -35.7 -6.9 79 60EH D T < 5 + 0 0 159 -3,-2.2 2,-0.6 1,-0.2 -5,-0.0 0.791 66.8 151.7 55.7 32.9 1.7 -32.5 -8.9 80 60FH K E < +Q 75 0D 36 -5,-1.8 -5,-2.8 -9,-0.1 -1,-0.2 -0.851 7.4 138.9-101.1 119.0 1.4 -30.5 -5.7 81 60GH N E -Q 74 0D 128 -2,-0.6 2,-0.3 -7,-0.2 -7,-0.2 -0.630 29.2-173.1-154.1 87.3 2.5 -26.8 -5.7 82 60HH F - 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