==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=17-JUN-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE/HYDROLASE INHIBITOR 12-JUL-11 3SV2 . COMPND 2 MOLECULE: THROMBIN LIGHT CHAIN; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR A.BIELA,A.HEINE,G.KLEBE . 290 4 4 3 1 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13065.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 178 61.4 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 27.2 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 1.4 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 . 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 . 19 6.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 35 12.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 28 9.7 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 0 1 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 1CL E > 0 0 86 0, 0.0 3,-1.9 0, 0.0 62,-0.0 0.000 360.0 360.0 360.0 146.4 15.5 18.8 18.4 2 1BL A T 3 + 0 0 94 1,-0.3 0, 0.0 0, 0.0 0, 0.0 0.726 360.0 46.9 -59.5 -25.2 13.3 21.4 20.2 3 1AL D T > S+ 0 0 60 144,-0.0 3,-1.2 2,-0.0 -1,-0.3 0.263 83.3 137.7-103.0 11.8 10.2 19.7 18.7 4 1 L a T < + 0 0 19 -3,-1.9 143,-0.2 1,-0.2 144,-0.1 -0.168 64.6 17.6 -60.9 147.9 11.1 16.1 19.6 5 2 L G T 3 S+ 0 0 0 141,-2.8 237,-2.1 1,-0.2 2,-0.6 0.565 90.6 114.4 74.7 8.5 8.5 13.8 20.9 6 3 L L < - 0 0 26 -3,-1.2 -1,-0.2 140,-0.3 235,-0.1 -0.967 60.2-141.5-113.4 112.9 5.5 15.8 19.8 7 4 L R > > - 0 0 0 -2,-0.6 5,-2.5 1,-0.1 3,-1.4 -0.625 6.6-139.4 -84.0 130.4 3.5 14.0 17.2 8 5 L P T 3 5S+ 0 0 23 0, 0.0 -1,-0.1 0, 0.0 134,-0.1 0.839 104.1 42.9 -51.9 -39.0 1.9 15.9 14.3 9 6 L L T 3 5S+ 0 0 30 133,-0.5 31,-0.1 30,-0.3 133,-0.0 0.468 129.9 19.8 -93.0 2.8 -1.3 13.9 14.4 10 7 L F T X >S+ 0 0 14 -3,-1.4 5,-2.3 29,-0.1 3,-1.6 0.433 128.4 23.5-130.6 -88.6 -1.6 13.9 18.2 11 8 L E G > 5S+ 0 0 32 1,-0.3 3,-1.3 3,-0.2 -5,-0.1 0.854 119.2 57.8 -57.4 -40.2 0.1 16.4 20.5 12 9 L K G 3 > S+ 0 0 40 2,-0.1 3,-1.2 1,-0.1 4,-0.9 0.415 85.1 99.8-129.2 4.6 -4.2 4.1 25.0 20 14CL E H >> S+ 0 0 12 -3,-0.3 4,-2.1 1,-0.3 3,-0.5 0.839 79.2 65.9 -63.6 -28.2 -1.9 6.9 26.1 21 14DL R H 3> S+ 0 0 138 -4,-0.4 4,-2.8 1,-0.2 -1,-0.3 0.849 92.8 60.9 -58.3 -33.9 -4.2 7.4 29.1 22 14EL E H <> S+ 0 0 38 -3,-1.2 4,-0.9 2,-0.2 -1,-0.2 0.877 105.4 47.8 -61.2 -37.8 -3.2 4.0 30.3 23 14FL L H XX S+ 0 0 0 -4,-0.9 3,-1.0 -3,-0.5 4,-0.7 0.966 111.0 49.7 -65.5 -50.1 0.4 5.2 30.5 24 14GL L H >< S+ 0 0 94 -4,-2.1 3,-1.6 1,-0.3 -2,-0.2 0.909 106.7 55.5 -57.3 -42.8 -0.5 8.4 32.4 25 14HL E H 3< S+ 0 0 129 -4,-2.8 -1,-0.3 1,-0.3 -2,-0.2 0.785 104.3 54.9 -63.6 -25.7 -2.6 6.4 34.9 26 14IL S H << S+ 0 0 16 -3,-1.0 2,-1.7 -4,-0.9 -1,-0.3 0.614 84.9 87.0 -79.7 -14.5 0.5 4.3 35.7 27 14JL Y << 0 0 27 -3,-1.6 -1,-0.1 -4,-0.7 135,-0.0 -0.632 360.0 360.0 -90.0 81.0 2.6 7.3 36.5 28 14KL I 0 0 167 -2,-1.7 -3,-0.1 0, 0.0 -2,-0.1 -0.716 360.0 360.0 -93.5 360.0 1.6 7.5 40.1 29 !* 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 30 16 H I 0 0 0 0, 0.0 2,-0.4 0, 0.0 3,-0.4 0.000 360.0 360.0 360.0 126.7 4.5 -7.9 19.1 31 17 H V B +A 222 0A 10 191,-2.7 191,-1.6 1,-0.2 143,-0.1 -0.836 360.0 0.6 -99.9 132.0 2.4 -10.5 20.9 32 18 H E S S+ 0 0 128 141,-0.5 -1,-0.2 -2,-0.4 188,-0.2 0.782 102.2 119.9 63.8 31.6 -1.0 -9.6 22.3 33 19 H G - 0 0 29 -3,-0.4 2,-0.3 153,-0.1 153,-0.2 -0.193 54.7-120.4 -99.9-159.6 -0.8 -6.0 21.1 34 20 H S E -B 185 0B 58 151,-2.2 151,-2.4 -2,-0.1 2,-0.2 -0.916 34.8 -74.9-140.5 166.7 -3.1 -4.1 18.7 35 21 H D E -B 184 0B 111 -2,-0.3 149,-0.2 149,-0.2 148,-0.1 -0.430 52.2-118.9 -62.3 134.1 -2.9 -2.2 15.4 36 22 H A - 0 0 6 147,-3.0 2,-0.2 -2,-0.2 -1,-0.1 -0.370 25.4-114.8 -65.9 149.7 -1.2 1.2 15.8 37 23 H E > - 0 0 41 1,-0.1 3,-2.0 -2,-0.1 4,-0.3 -0.512 46.4 -82.0 -75.2 156.6 -3.2 4.3 14.9 38 24 H I T 3 S+ 0 0 88 1,-0.3 -1,-0.1 -2,-0.2 57,-0.1 -0.416 117.2 5.2 -61.5 129.4 -2.0 6.3 11.9 39 25 H G T 3 S+ 0 0 11 -2,-0.1 -30,-0.3 2,-0.1 -1,-0.3 0.605 91.8 127.4 72.3 12.7 0.9 8.6 13.0 40 26 H M S < S+ 0 0 5 -3,-2.0 -2,-0.1 1,-0.3 -23,-0.1 0.796 83.0 21.9 -71.5 -29.4 0.9 7.1 16.5 41 27 H S > + 0 0 13 -4,-0.3 3,-2.4 102,-0.1 -1,-0.3 -0.593 69.4 166.1-137.7 68.1 4.6 6.3 16.4 42 28 H P T 3 S+ 0 0 1 0, 0.0 103,-1.6 0, 0.0 51,-0.2 0.600 75.6 60.8 -73.6 -6.5 6.1 8.7 13.8 43 29 H W T 3 S+ 0 0 3 101,-0.2 18,-2.1 103,-0.1 104,-0.1 0.416 77.1 120.0 -89.0 -4.5 9.7 7.9 15.0 44 30 H Q E < -J 60 0C 2 -3,-2.4 49,-1.0 16,-0.2 2,-0.4 -0.426 44.2-169.1 -69.3 137.6 9.3 4.2 14.2 45 31 H V E -JK 59 92C 0 14,-2.3 14,-1.3 47,-0.2 2,-0.5 -0.965 14.9-145.2-126.7 139.0 11.9 3.0 11.6 46 32 H M E -JK 58 91C 0 45,-2.6 45,-2.5 -2,-0.4 2,-0.6 -0.945 10.2-146.6-101.6 124.3 12.0 -0.3 9.7 47 33 H L E -JK 57 90C 0 10,-2.9 9,-3.0 -2,-0.5 10,-1.3 -0.832 25.5-165.0 -84.2 124.3 15.5 -1.7 9.0 48 34 H F E -JK 55 89C 0 41,-2.9 41,-2.3 -2,-0.6 2,-0.4 -0.953 16.9-136.4-124.3 126.3 15.1 -3.4 5.7 49 35 H R E > -JK 54 88C 69 5,-2.9 5,-1.1 -2,-0.5 39,-0.2 -0.663 10.2-150.7 -79.5 133.3 17.5 -5.9 4.1 50 36 H K E 5S+J 53 0C 39 37,-2.1 3,-0.3 -2,-0.4 -1,-0.1 0.883 77.1 52.5 -68.2 -41.3 18.0 -5.2 0.4 51 36AH S T 5S+ 0 0 80 1,-0.5 -1,-0.3 36,-0.4 2,-0.1 -0.904 121.7 18.4-153.6 109.8 18.7 -8.8 -0.7 52 37 H P T 5S- 0 0 83 0, 0.0 2,-0.6 0, 0.0 -1,-0.5 0.619 104.8-126.7 -67.5 149.3 16.7 -10.8 0.0 53 38 H Q E 5 +J 50 0C 61 -3,-0.3 231,-0.3 -2,-0.1 2,-0.3 -0.553 57.6 128.6 -69.3 112.3 14.2 -8.0 0.6 54 39 H E E < -J 49 0C 69 -5,-1.1 -5,-2.9 -2,-0.6 2,-0.3 -0.987 64.7 -82.0-159.8 160.8 12.9 -8.6 4.2 55 40 H L E +J 48 0C 32 -2,-0.3 -7,-0.2 -7,-0.2 3,-0.1 -0.537 39.4 174.7 -66.7 129.0 12.4 -7.0 7.6 56 41 H L E - 0 0 23 -9,-3.0 2,-0.3 1,-0.4 170,-0.2 0.781 54.9 -45.2-100.8 -41.1 15.6 -7.0 9.6 57 42 H b E -J 47 0C 2 -10,-1.3 -10,-2.9 170,-0.1 -1,-0.4 -0.971 53.1 -92.3-173.7 168.0 14.7 -5.0 12.7 58 43 H G E +J 46 0C 2 170,-3.0 12,-0.4 -2,-0.3 2,-0.3 -0.463 40.2 167.7 -87.2 174.0 13.0 -2.0 14.2 59 44 H A E -J 45 0C 0 -14,-1.3 -14,-2.3 -2,-0.2 2,-0.3 -0.933 23.8-119.7-171.6 176.9 14.7 1.2 14.9 60 45 H S E -JL 44 68C 0 8,-2.2 8,-2.6 -2,-0.3 2,-0.6 -0.989 15.2-122.7-141.0 149.6 13.8 4.8 15.9 61 46 H L E + L 0 67C 0 -18,-2.1 86,-2.3 -2,-0.3 6,-0.2 -0.812 29.7 167.9 -91.2 120.2 14.3 8.3 14.4 62 47 H I - 0 0 16 4,-2.3 2,-0.3 -2,-0.6 5,-0.2 0.535 69.1 -9.5-112.4 -9.4 16.1 10.6 16.9 63 48 H S S S- 0 0 30 3,-1.2 3,-0.3 85,-0.1 -1,-0.3 -0.929 87.9 -78.4-165.3-175.7 16.9 13.5 14.4 64 49 H D S S+ 0 0 74 -2,-0.3 74,-2.4 1,-0.2 72,-0.1 0.642 129.3 24.8 -71.6 -8.4 16.7 14.2 10.7 65 50 H R S S+ 0 0 63 72,-0.2 69,-2.8 1,-0.1 2,-0.4 0.423 108.7 76.3-132.7 0.5 19.9 12.2 10.1 66 51 H W E - M 0 133C 10 -3,-0.3 -4,-2.3 67,-0.2 -3,-1.2 -0.958 48.3-172.4-127.7 134.8 20.3 9.7 13.0 67 52 H V E -LM 61 132C 0 65,-2.4 65,-2.5 -2,-0.4 2,-0.4 -0.969 12.6-148.7-123.6 135.5 18.5 6.4 13.7 68 53 H L E +LM 60 131C 0 -8,-2.6 -8,-2.2 -2,-0.4 2,-0.3 -0.841 28.8 147.5-104.9 140.0 18.9 4.4 16.9 69 54 H T E - M 0 130C 0 61,-2.7 61,-2.2 -2,-0.4 2,-0.4 -0.864 49.4 -73.0-153.1-176.1 18.6 0.6 17.0 70 55 H A > - 0 0 0 -12,-0.4 3,-1.3 -2,-0.3 4,-0.4 -0.735 33.6-133.4 -85.4 139.0 19.9 -2.5 18.8 71 56 H A G >> S+ 0 0 0 -2,-0.4 4,-2.7 1,-0.2 3,-2.0 0.864 104.6 63.8 -55.6 -38.4 23.5 -3.6 18.1 72 57 H H G 34 S+ 0 0 13 1,-0.3 -1,-0.2 2,-0.2 156,-0.0 0.681 90.6 66.5 -68.8 -13.7 22.4 -7.2 17.7 73 58 H b G <4 S+ 0 0 1 -3,-1.3 -1,-0.3 1,-0.1 -2,-0.2 0.738 117.5 25.0 -68.7 -25.0 20.3 -6.1 14.7 74 59 H L T <4 S+ 0 0 2 -3,-2.0 9,-2.6 -4,-0.4 2,-0.4 0.706 130.7 30.9-109.3 -32.6 23.6 -5.3 12.9 75 60 H L E < +P 82 0D 28 -4,-2.7 -1,-0.3 7,-0.2 7,-0.2 -0.947 56.3 138.1-140.2 112.9 26.2 -7.5 14.6 76 60AH Y E > > -P 81 0D 48 5,-2.7 5,-2.0 -2,-0.4 3,-1.8 -0.608 22.6-173.3-154.0 86.2 25.6 -10.9 16.1 77 60BH P G > 5S+ 0 0 45 0, 0.0 3,-2.1 0, 0.0 -1,-0.1 0.787 79.2 69.0 -57.1 -32.3 28.4 -13.4 15.3 78 60CH P G 3 5S+ 0 0 70 0, 0.0 44,-0.0 0, 0.0 43,-0.0 0.817 111.1 36.2 -56.3 -27.1 26.7 -16.4 16.8 79 60DH W G < 5S- 0 0 171 -3,-1.8 3,-0.1 2,-0.1 0, 0.0 0.113 118.6-109.6-109.3 17.1 24.2 -16.2 13.9 80 60EH D T < 5 + 0 0 156 -3,-2.1 2,-0.6 1,-0.2 -5,-0.0 0.841 67.6 152.2 59.2 36.0 26.7 -15.0 11.3 81 60FH K E < +P 76 0D 40 -5,-2.0 -5,-2.7 2,-0.0 -1,-0.2 -0.865 4.8 139.8-103.0 120.0 25.2 -11.6 11.3 82 60GH N E -P 75 0D 124 -2,-0.6 -7,-0.2 -7,-0.2 2,-0.1 -0.517 29.2-168.4-155.9 83.5 27.5 -8.7 10.4 83 60HH F - 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