==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=3-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 10-MAY-07 2PW8 . COMPND 2 MOLECULE: THROMBIN LIGHT CHAIN; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR C.C.LIU,E.BRUSTAD,W.LIU,P.G.SCHULTZ . 339 5 7 6 1 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 15153.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 205 60.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 10 2.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 83 24.5 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 1.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 3 0.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.6 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 . 25 7.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 36 10.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 28 8.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 1.5 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 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 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 0 0 0 0 PARALLEL BRIDGES PER LADDER . 4 5 1 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 . 4 1 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 0 133 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -70.7 -30.2 2.7 9.7 2 1AL D > + 0 0 54 3,-0.1 3,-1.5 2,-0.0 145,-0.1 -0.099 360.0 154.8-101.8 33.1 -31.3 5.2 12.5 3 1 L a T 3 + 0 0 34 1,-0.2 143,-0.2 143,-0.1 144,-0.1 -0.267 64.8 27.1 -53.1 144.8 -28.1 7.2 12.7 4 2 L G T 3 S+ 0 0 0 141,-2.7 237,-1.6 1,-0.2 2,-0.6 0.474 90.7 111.9 85.3 1.1 -28.6 10.7 14.0 5 3 L L < - 0 0 35 -3,-1.5 -1,-0.2 140,-0.3 235,-0.1 -0.952 62.8-140.2-108.6 119.2 -31.8 9.9 16.0 6 4 L R > > - 0 0 0 -2,-0.6 5,-2.3 1,-0.1 3,-1.4 -0.626 5.5-139.1 -88.1 130.6 -31.1 10.3 19.7 7 5 L P T 3 5S+ 0 0 9 0, 0.0 -1,-0.1 0, 0.0 134,-0.1 0.823 103.5 44.5 -56.2 -33.1 -32.7 7.6 22.0 8 6 L L T 3 5S+ 0 0 33 133,-0.4 31,-0.1 30,-0.4 133,-0.1 0.517 128.6 18.8 -91.1 -3.4 -33.7 10.2 24.6 9 7 L F T X >S+ 0 0 13 -3,-1.4 5,-2.3 29,-0.1 3,-2.1 0.503 127.3 25.9-126.9 -87.6 -35.0 12.9 22.2 10 8 L E G > 5S+ 0 0 17 1,-0.3 3,-1.5 3,-0.2 -5,-0.1 0.850 119.2 57.7 -57.0 -37.9 -36.1 12.2 18.6 11 9 L K G 3 > S+ 0 0 43 2,-0.1 3,-1.6 1,-0.1 4,-0.9 0.463 85.6 102.3-128.8 -3.4 -31.9 24.7 22.1 19 14CL E H 3> S+ 0 0 6 1,-0.3 4,-2.1 -3,-0.2 3,-0.4 0.818 78.1 63.3 -45.8 -40.2 -32.6 22.7 19.0 20 14DL R H 3> S+ 0 0 164 -4,-0.4 4,-2.3 1,-0.2 -1,-0.3 0.795 94.5 60.7 -64.5 -26.3 -35.2 25.2 17.8 21 14EL E H <> S+ 0 0 52 -3,-1.6 4,-1.0 2,-0.2 -1,-0.2 0.902 106.3 47.9 -61.5 -42.4 -32.4 27.9 17.6 22 14FL L H >X S+ 0 0 0 -4,-0.9 3,-1.1 -3,-0.4 4,-0.5 0.975 112.9 45.7 -63.6 -53.9 -30.7 25.7 15.0 23 14GL L H >< S+ 0 0 50 -4,-2.1 3,-1.3 1,-0.3 4,-0.2 0.862 108.5 57.6 -61.1 -36.0 -33.8 25.1 12.9 24 14HL E H >< S+ 0 0 144 -4,-2.3 3,-0.9 1,-0.3 -1,-0.3 0.760 98.9 60.3 -64.1 -27.9 -34.7 28.8 13.0 25 14IL S H << S+ 0 0 22 -3,-1.1 -1,-0.3 -4,-1.0 -2,-0.2 0.669 94.1 65.2 -72.8 -16.8 -31.4 29.6 11.5 26 14JL Y T << 0 0 25 -3,-1.3 -1,-0.2 -4,-0.5 -2,-0.2 0.507 360.0 360.0 -85.1 -6.2 -32.3 27.6 8.4 27 14KL I < 0 0 176 -3,-0.9 -1,-0.0 -4,-0.2 -3,-0.0 -0.710 360.0 360.0 -81.1 360.0 -35.1 29.9 7.3 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 3,-0.5 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 119.4 -16.5 25.2 25.3 30 17 H V B -A 221 0A 2 191,-2.9 191,-1.5 1,-0.2 143,-0.1 -0.784 360.0 -1.3 -94.1 127.7 -16.6 28.9 25.9 31 18 H E S S+ 0 0 119 141,-0.5 -1,-0.2 -2,-0.4 188,-0.1 0.790 102.6 121.4 66.3 31.4 -19.9 30.6 26.7 32 19 H G - 0 0 30 -3,-0.5 2,-0.3 153,-0.1 153,-0.2 -0.270 54.0-121.2-103.3-164.1 -21.9 27.4 26.4 33 20 H S E -B 184 0B 66 151,-2.0 151,-2.1 -2,-0.1 2,-0.1 -0.878 37.1 -74.4-136.3 167.3 -24.1 25.5 28.9 34 21 H D E -B 183 0B 100 -2,-0.3 149,-0.2 149,-0.2 148,-0.1 -0.431 54.3-116.4 -58.5 136.8 -24.3 22.1 30.5 35 22 H A - 0 0 6 147,-3.0 2,-0.2 59,-0.1 -1,-0.1 -0.392 25.2-115.0 -69.5 149.2 -25.5 19.4 28.1 36 23 H E > - 0 0 45 1,-0.1 3,-2.1 -2,-0.1 4,-0.3 -0.592 48.7 -84.7 -73.3 146.5 -28.8 17.7 28.8 37 24 H I T 3 S+ 0 0 83 1,-0.3 -1,-0.1 -2,-0.2 57,-0.1 -0.398 114.7 6.9 -52.0 127.3 -28.3 14.0 29.6 38 25 H G T 3 S+ 0 0 12 55,-0.2 -30,-0.4 104,-0.1 -1,-0.3 0.575 89.6 123.1 76.2 10.7 -28.2 12.1 26.2 39 26 H M S < S+ 0 0 5 -3,-2.1 -2,-0.1 1,-0.3 -33,-0.1 0.759 84.4 27.5 -79.2 -21.5 -28.3 15.2 24.0 40 27 H S > + 0 0 12 -4,-0.3 3,-2.3 102,-0.1 -1,-0.3 -0.589 69.7 163.8-130.8 69.2 -25.0 14.2 22.2 41 28 H P T 3 S+ 0 0 4 0, 0.0 103,-1.8 0, 0.0 51,-0.1 0.543 74.7 58.5 -75.4 -0.9 -24.9 10.4 22.4 42 29 H W T 3 S+ 0 0 2 101,-0.2 18,-1.6 103,-0.1 2,-0.2 0.371 77.9 119.8 -93.8 -4.3 -22.3 10.2 19.7 43 30 H Q E < -J 59 0C 4 -3,-2.3 49,-0.9 16,-0.2 50,-0.4 -0.464 45.2-170.3 -65.7 136.6 -19.9 12.3 21.8 44 31 H V E -JK 58 91C 0 14,-2.3 14,-1.4 -2,-0.2 2,-0.5 -0.929 16.5-144.5-127.7 145.5 -16.7 10.4 22.6 45 32 H M E -JK 57 90C 0 45,-2.6 45,-2.8 -2,-0.4 2,-0.4 -0.967 12.9-143.8-108.9 123.4 -13.9 11.3 24.9 46 33 H L E -JK 56 89C 2 10,-3.4 9,-2.8 -2,-0.5 10,-1.1 -0.772 26.5-169.0 -82.6 133.9 -10.4 10.3 23.8 47 34 H F E -JK 54 88C 0 41,-2.8 41,-2.5 -2,-0.4 2,-0.2 -0.985 20.0-132.2-137.9 129.5 -8.5 9.2 26.9 48 35 H R E > -JK 53 87C 81 5,-2.8 5,-0.9 -2,-0.4 39,-0.2 -0.577 10.7-147.9 -77.8 141.4 -4.9 8.5 27.5 49 36 H K T 5S+ 0 0 39 37,-2.1 3,-0.2 1,-0.3 -1,-0.1 0.896 80.9 49.8 -77.4 -42.2 -4.1 5.2 29.4 50 36AH S T 5S+ 0 0 100 1,-0.4 -1,-0.3 36,-0.4 2,-0.2 -0.923 122.5 19.9-146.6 113.0 -0.9 6.4 31.2 51 37 H P T 5S- 0 0 79 0, 0.0 2,-0.8 0, 0.0 -1,-0.4 0.696 103.2-127.2 -64.6 154.2 -1.2 9.0 32.7 52 38 H Q T 5 + 0 0 54 -3,-0.2 2,-0.3 -2,-0.2 283,-0.3 -0.631 56.3 131.1 -75.0 108.7 -5.0 8.8 32.7 53 39 H E E < -J 48 0C 75 -5,-0.9 -5,-2.8 -2,-0.8 2,-0.2 -0.992 62.1 -90.6-155.5 161.0 -6.2 12.0 31.2 54 40 H L E +J 47 0C 30 -2,-0.3 -7,-0.2 -7,-0.2 3,-0.1 -0.541 37.7 174.0 -70.2 137.6 -8.6 13.6 28.6 55 41 H L E - 0 0 22 -9,-2.8 2,-0.3 1,-0.5 -8,-0.2 0.721 55.0 -38.0-111.8 -41.6 -6.8 14.0 25.2 56 42 H b E -J 46 0C 5 -10,-1.1 -10,-3.4 170,-0.1 -1,-0.5 -0.974 56.1 -94.5-172.5 167.6 -9.5 15.2 22.8 57 43 H G E +J 45 0C 1 170,-2.9 12,-0.4 -2,-0.3 2,-0.3 -0.468 41.1 166.6 -92.5 169.7 -13.2 14.8 21.7 58 44 H A E -J 44 0C 0 -14,-1.4 -14,-2.3 -2,-0.2 2,-0.3 -0.904 24.7-116.0-164.3-177.3 -14.3 12.5 18.9 59 45 H S E -JL 43 67C 0 8,-2.3 8,-2.1 -2,-0.3 2,-0.6 -0.971 13.2-123.7-140.0 155.8 -17.6 11.0 17.6 60 46 H L E + L 0 66C 0 -18,-1.6 86,-2.1 -2,-0.3 6,-0.2 -0.866 30.1 168.5 -99.8 118.4 -19.3 7.7 17.2 61 47 H I - 0 0 22 4,-2.3 2,-0.3 -2,-0.6 5,-0.2 0.478 67.5 -12.5-110.4 -8.0 -20.2 7.1 13.5 62 48 H S S S- 0 0 39 3,-1.0 -1,-0.2 85,-0.1 3,-0.1 -0.917 89.1 -73.1-166.5-170.6 -21.1 3.4 13.7 63 49 H D S S+ 0 0 78 -2,-0.3 74,-2.9 1,-0.2 3,-0.1 0.604 129.5 22.3 -72.7 -10.6 -20.8 0.4 16.1 64 50 H R S S+ 0 0 67 72,-0.2 69,-2.6 1,-0.1 2,-0.4 0.400 108.7 76.4-136.8 2.2 -17.1 0.1 15.5 65 51 H W E - M 0 132C 8 67,-0.2 -4,-2.3 -3,-0.1 -3,-1.0 -0.968 47.1-171.0-129.5 132.6 -15.7 3.4 14.1 66 52 H V E -LM 60 131C 0 65,-2.5 65,-2.8 -2,-0.4 2,-0.4 -0.962 13.2-147.8-120.9 136.8 -14.9 6.7 15.8 67 53 H L E +LM 59 130C 0 -8,-2.1 -8,-2.3 -2,-0.4 2,-0.2 -0.848 29.2 147.1-104.7 136.5 -14.0 9.9 14.0 68 54 H T E - M 0 129C 0 61,-2.3 61,-2.2 -2,-0.4 2,-0.3 -0.836 49.6 -73.5-150.2-177.1 -11.6 12.6 15.3 69 55 H A > - 0 0 0 -12,-0.4 3,-1.1 -2,-0.2 4,-0.4 -0.717 33.7-132.6 -84.8 138.7 -9.0 15.2 14.2 70 56 H A G >> S+ 0 0 0 -2,-0.3 4,-3.0 1,-0.2 3,-1.9 0.858 105.0 63.6 -55.3 -37.0 -5.7 13.9 13.1 71 57 H H G 34 S+ 0 0 6 1,-0.3 -1,-0.2 2,-0.2 177,-0.0 0.673 92.4 65.8 -69.6 -12.8 -3.8 16.5 15.3 72 58 H b G <4 S+ 0 0 2 -3,-1.1 -1,-0.3 1,-0.1 -2,-0.2 0.752 118.4 22.7 -73.8 -20.5 -5.4 14.7 18.3 73 59 H L T <4 S+ 0 0 2 -3,-1.9 9,-2.3 -4,-0.4 2,-0.4 0.688 130.7 34.8-116.1 -35.8 -3.3 11.6 17.4 74 60 H L E < +P 81 0D 34 -4,-3.0 -1,-0.3 7,-0.2 7,-0.2 -0.949 56.9 141.4-134.2 112.4 -0.4 12.9 15.3 75 60AH Y E > > -P 80 0D 3 5,-2.6 3,-2.1 -2,-0.4 5,-1.8 -0.606 23.5-170.5-151.8 84.2 1.3 16.2 15.9 76 60BH P G > 5S+ 0 0 41 0, 0.0 3,-2.6 0, 0.0 -1,-0.1 0.779 81.6 65.8 -46.0 -43.6 5.1 16.1 15.5 77 60CH P G 3 5S+ 0 0 21 0, 0.0 44,-0.0 0, 0.0 -2,-0.0 0.766 111.4 37.8 -55.2 -25.4 5.8 19.6 16.9 78 60DH W G < 5S- 0 0 50 -3,-2.1 3,-0.1 2,-0.1 252,-0.1 0.190 116.3-113.8-105.4 16.3 4.6 18.3 20.2 79 60EH D T < 5 + 0 0 156 -3,-2.6 2,-0.5 1,-0.2 -5,-0.0 0.828 65.6 153.6 49.9 38.3 6.2 14.9 19.8 80 60FH K E < +P 75 0D 20 -5,-1.8 -5,-2.6 1,-0.0 -1,-0.2 -0.855 8.3 141.8-100.7 125.3 2.7 13.5 19.7 81 60GH N E -P 74 0D 115 -2,-0.5 -7,-0.2 -7,-0.2 2,-0.1 -0.448 29.7-167.3-159.5 71.4 2.3 10.2 17.8 82 60HH F - 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