==== 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 26-FEB-99 7KME . COMPND 2 MOLECULE: THROMBIN L-CHAIN; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR I.MOCHALKIN,A.TULINSKY . 290 5 4 3 1 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12281.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 181 62.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 4 1.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 77 26.6 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 . 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 . 22 7.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 32 11.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 27 9.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), 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 . 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 1 1 1 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 PARALLEL BRIDGES PER LADDER . 5 4 1 2 5 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 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 1AL D > 0 0 121 0, 0.0 3,-1.1 0, 0.0 144,-0.1 0.000 360.0 360.0 360.0 -8.3 10.1 18.5 19.0 2 1 L a T 3 + 0 0 38 1,-0.2 142,-0.2 142,-0.1 143,-0.1 -0.067 360.0 15.3 -52.1 139.6 10.7 14.8 20.0 3 2 L G T 3 S+ 0 0 0 140,-2.8 236,-1.4 1,-0.2 2,-0.6 0.535 88.6 112.5 76.0 11.5 7.9 12.6 21.4 4 3 L L < - 0 0 33 -3,-1.1 -1,-0.2 139,-0.3 234,-0.1 -0.971 63.6-138.4-114.0 111.0 4.9 14.7 20.4 5 4 L R > > - 0 0 0 -2,-0.6 5,-1.9 1,-0.1 3,-1.6 -0.538 4.1-137.9 -75.4 125.2 3.0 12.8 17.8 6 5 L P T 3 5S+ 0 0 16 0, 0.0 -1,-0.1 0, 0.0 133,-0.1 0.866 103.6 39.3 -46.6 -41.9 1.7 14.8 14.8 7 6 L L T 3 5S+ 0 0 27 132,-0.5 30,-0.1 29,-0.3 132,-0.0 0.424 129.7 24.0 -94.8 -0.6 -1.6 13.0 14.8 8 7 L F T X>>S+ 0 0 13 -3,-1.6 5,-2.9 28,-0.1 3,-0.7 0.600 125.8 26.5-122.8 -75.8 -2.1 12.7 18.6 9 8 L E G >45S+ 0 0 23 1,-0.3 3,-1.1 3,-0.2 -2,-0.1 0.911 118.8 56.3 -62.0 -44.7 -0.4 15.2 21.0 10 9 L K G 34 S+ 0 0 49 2,-0.1 4,-1.0 1,-0.1 3,-0.5 0.306 86.7 103.1-132.1 18.6 -4.8 2.8 25.2 18 14CL E H > S+ 0 0 8 -3,-0.3 4,-1.8 1,-0.2 3,-0.4 0.867 78.4 62.9 -67.2 -29.3 -2.5 5.6 26.2 19 14DL R H > S+ 0 0 48 -4,-0.4 4,-3.9 1,-0.3 5,-0.2 0.849 93.4 62.6 -68.3 -23.2 -4.6 6.2 29.4 20 14EL E H > S+ 0 0 68 -3,-0.5 4,-0.7 1,-0.2 -1,-0.3 0.944 106.1 46.3 -64.4 -44.2 -3.7 2.6 30.6 21 14FL L H >< S+ 0 0 0 -4,-1.0 3,-1.0 -3,-0.4 140,-0.4 0.944 114.4 47.1 -58.1 -53.7 -0.1 3.8 30.7 22 14GL L H >< S+ 0 0 51 -4,-1.8 3,-1.9 1,-0.3 -2,-0.2 0.916 106.5 57.0 -60.1 -41.6 -1.1 7.0 32.5 23 14HL E H 3< S+ 0 0 161 -4,-3.9 -1,-0.3 1,-0.3 -2,-0.2 0.672 102.1 57.7 -65.9 -15.0 -3.3 5.2 35.0 24 14IL S T << 0 0 26 -3,-1.0 -1,-0.3 -4,-0.7 -2,-0.2 0.633 360.0 360.0 -88.7 -16.1 -0.3 3.0 36.0 25 14JL Y < 0 0 59 -3,-1.9 -2,-0.1 -4,-0.4 -3,-0.1 0.850 360.0 360.0 -90.3 360.0 1.9 6.0 37.0 26 !* 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 27 16 H I 0 0 1 0, 0.0 2,-0.6 0, 0.0 3,-0.5 0.000 360.0 360.0 360.0 127.2 4.2 -9.1 19.5 28 17 H V B -A 219 0A 0 191,-2.9 191,-1.5 1,-0.2 143,-0.1 -0.834 360.0 -1.6-100.5 119.9 2.3 -11.8 21.4 29 18 H E S S+ 0 0 113 -2,-0.6 -1,-0.2 141,-0.5 188,-0.2 0.841 99.8 128.5 70.3 41.5 -1.2 -10.8 22.4 30 19 H G - 0 0 25 -3,-0.5 2,-0.3 153,-0.1 153,-0.2 -0.143 50.4-121.5-102.6-163.2 -1.0 -7.2 21.2 31 20 H S E -B 182 0B 83 151,-1.9 151,-2.3 -2,-0.1 2,-0.3 -0.888 37.1 -81.2-137.6 166.2 -3.4 -5.2 19.0 32 21 H D E -B 181 0B 110 -2,-0.3 149,-0.3 149,-0.2 148,-0.1 -0.587 50.5-124.1 -69.7 132.2 -3.1 -3.4 15.7 33 22 H A - 0 0 5 147,-3.6 2,-0.1 -2,-0.3 3,-0.1 -0.396 27.7-111.5 -68.3 155.3 -1.5 0.2 16.4 34 23 H E > - 0 0 69 1,-0.1 3,-1.4 -2,-0.1 4,-0.3 -0.363 48.0 -77.7 -78.3 167.3 -3.5 3.1 15.1 35 24 H I T 3 S+ 0 0 100 1,-0.3 -1,-0.1 2,-0.1 57,-0.1 -0.476 118.8 5.8 -75.5 131.8 -2.1 5.0 12.2 36 25 H G T 3 S+ 0 0 11 54,-0.1 -29,-0.3 1,-0.1 -1,-0.3 0.521 91.2 126.8 70.2 12.9 0.7 7.4 13.4 37 26 H M S < S+ 0 0 8 -3,-1.4 -2,-0.1 1,-0.3 -1,-0.1 0.799 84.1 22.1 -66.7 -24.8 0.5 5.9 16.9 38 27 H S S > S+ 0 0 12 -4,-0.3 3,-2.0 1,-0.1 -1,-0.3 -0.549 71.8 171.4-145.6 71.3 4.2 5.2 17.0 39 28 H P T 3 S+ 0 0 2 0, 0.0 103,-1.3 0, 0.0 51,-0.1 0.607 74.6 59.9 -70.0 -1.9 5.8 7.5 14.4 40 29 H W T 3 S+ 0 0 2 101,-0.2 18,-1.9 103,-0.1 2,-0.2 0.544 73.9 122.0-102.4 -4.1 9.4 6.7 15.4 41 30 H Q E < -K 57 0C 6 -3,-2.0 49,-0.8 16,-0.2 2,-0.3 -0.445 44.6-166.2 -69.2 114.4 9.0 3.0 14.7 42 31 H V E -KL 56 89C 0 14,-1.6 14,-1.2 -2,-0.2 2,-0.6 -0.838 13.7-141.8-104.0 141.9 11.7 1.9 12.1 43 32 H M E -KL 55 88C 0 45,-2.2 45,-2.5 -2,-0.3 2,-0.6 -0.927 10.3-147.3-104.4 122.6 11.8 -1.4 10.1 44 33 H L E -KL 54 87C 0 10,-2.9 9,-3.6 -2,-0.6 10,-0.8 -0.792 28.1-168.2 -87.7 121.8 15.2 -2.9 9.6 45 34 H F E -KL 52 86C 0 41,-2.9 41,-2.1 -2,-0.6 2,-0.3 -0.956 21.4-129.5-127.5 135.5 15.1 -4.5 6.2 46 35 H R E - L 0 85C 76 5,-4.0 5,-0.3 -2,-0.4 39,-0.2 -0.605 7.3-151.7 -81.4 132.1 17.3 -6.9 4.2 47 36 H K S S+ 0 0 54 37,-2.0 -1,-0.1 -2,-0.3 3,-0.1 0.957 82.8 41.6 -69.2 -43.6 18.1 -5.9 0.7 48 36AH S S S+ 0 0 99 36,-0.4 -1,-0.3 1,-0.3 2,-0.2 -0.857 121.7 22.8-165.7 118.5 18.5 -9.6 -0.3 49 37 H P S S- 0 0 75 0, 0.0 2,-1.1 0, 0.0 -1,-0.3 0.559 103.8-124.4 -56.3 157.9 16.7 -11.7 0.5 50 38 H Q + 0 0 59 -2,-0.2 232,-0.3 -3,-0.1 2,-0.3 -0.746 57.7 135.5 -84.6 93.0 14.1 -9.0 1.1 51 39 H E - 0 0 67 -2,-1.1 -5,-4.0 -5,-0.3 2,-0.3 -0.946 61.4 -96.9-147.8 156.8 13.1 -9.5 4.7 52 40 H L E +K 45 0C 31 -2,-0.3 -7,-0.2 -7,-0.2 3,-0.1 -0.588 33.6 179.0 -68.5 124.1 12.4 -7.9 8.0 53 41 H L E - 0 0 26 -9,-3.6 2,-0.3 1,-0.5 170,-0.3 0.790 56.5 -49.0 -87.9 -52.8 15.5 -8.0 10.2 54 42 H b E -K 44 0C 2 -10,-0.8 -10,-2.9 170,-0.1 -1,-0.5 -0.910 57.1 -82.2-167.2 177.9 14.2 -6.2 13.3 55 43 H G E +K 43 0C 0 170,-3.3 12,-0.4 -2,-0.3 2,-0.3 -0.412 43.7 173.2 -89.4 171.1 12.5 -3.1 14.7 56 44 H A E -K 42 0C 0 -14,-1.2 -14,-1.6 -2,-0.2 2,-0.3 -0.833 20.4-124.6-166.5-179.7 14.4 0.1 15.3 57 45 H S E -KM 41 65C 0 8,-1.4 8,-3.0 -2,-0.3 2,-0.6 -0.980 11.2-128.2-149.6 144.6 13.6 3.7 16.3 58 46 H L E + M 0 64C 0 -18,-1.9 86,-2.2 -2,-0.3 6,-0.2 -0.869 28.8 167.8 -90.2 118.3 14.2 7.2 15.0 59 47 H I S S- 0 0 20 4,-2.4 2,-0.2 -2,-0.6 5,-0.2 0.612 70.5 -3.5-108.0 -22.1 15.7 9.4 17.6 60 48 H S S S- 0 0 28 3,-1.2 -1,-0.2 85,-0.1 84,-0.1 -0.783 91.3 -81.2-145.1-162.2 16.7 12.4 15.3 61 49 H D S S+ 0 0 72 -2,-0.2 74,-2.1 1,-0.2 3,-0.1 0.604 128.4 27.0 -86.1 -10.7 16.5 13.1 11.6 62 50 H R S S+ 0 0 31 72,-0.2 69,-3.0 1,-0.1 2,-0.4 0.411 107.9 75.3-126.5 0.7 19.6 11.1 10.9 63 51 H W E - N 0 130C 0 67,-0.2 -4,-2.4 -3,-0.1 -3,-1.2 -0.971 47.8-170.2-127.2 133.7 20.0 8.5 13.7 64 52 H V E -MN 58 129C 0 65,-2.7 65,-2.7 -2,-0.4 2,-0.4 -0.924 13.2-148.3-119.1 135.0 18.2 5.2 14.3 65 53 H L E +MN 57 128C 0 -8,-3.0 -8,-1.4 -2,-0.4 2,-0.2 -0.882 30.3 148.5-101.8 136.5 18.6 3.2 17.6 66 54 H T E - N 0 127C 0 61,-2.2 61,-1.7 -2,-0.4 2,-0.4 -0.797 49.9 -75.5-148.1-173.2 18.4 -0.6 17.6 67 55 H A > - 0 0 0 -12,-0.4 3,-1.4 -2,-0.2 4,-0.5 -0.775 32.1-135.2 -88.1 140.6 19.7 -3.7 19.3 68 56 H A G >> S+ 0 0 0 -2,-0.4 4,-2.6 1,-0.3 3,-0.9 0.735 103.5 69.5 -64.6 -24.9 23.3 -4.7 18.5 69 57 H H G 34 S+ 0 0 5 1,-0.2 -1,-0.3 2,-0.2 9,-0.1 0.637 88.1 65.4 -71.9 -7.9 22.1 -8.3 18.2 70 58 H b G <4 S+ 0 0 0 -3,-1.4 -1,-0.2 1,-0.1 -2,-0.2 0.790 116.3 26.4 -75.6 -30.7 20.2 -7.3 15.0 71 59 H L T <4 S+ 0 0 0 -3,-0.9 9,-2.0 -4,-0.5 2,-0.4 0.770 129.1 30.5-101.8 -41.1 23.5 -6.6 13.3 72 60 H L E < +Q 79 0D 34 -4,-2.6 -1,-0.3 7,-0.2 7,-0.2 -0.951 51.3 141.4-135.6 117.3 26.0 -8.8 15.0 73 60AH Y E >>> -Q 78 0D 24 5,-2.8 3,-1.9 -2,-0.4 5,-1.4 -0.623 23.7-171.3-149.3 76.8 25.4 -12.2 16.6 74 60BH P G >45S+ 0 0 44 0, 0.0 3,-1.0 0, 0.0 -1,-0.1 0.769 80.6 62.9 -50.9 -33.4 28.5 -14.4 15.7 75 60CH P G 345S+ 0 0 66 0, 0.0 44,-0.0 0, 0.0 43,-0.0 0.874 110.9 38.7 -61.0 -33.2 26.9 -17.6 17.1 76 60DH W G <45S- 0 0 136 -3,-1.9 3,-0.1 2,-0.1 -4,-0.0 0.353 118.9-113.5-101.3 16.9 24.1 -17.4 14.4 77 60EH D T <<5 + 0 0 146 -3,-1.0 2,-0.3 -4,-0.5 0, 0.0 0.411 65.9 152.0 65.8 12.5 26.6 -16.2 11.9 78 60FH K E < +Q 73 0D 50 -5,-1.4 -5,-2.8 1,-0.1 -1,-0.2 -0.478 3.5 145.4 -79.2 120.6 24.9 -12.8 11.8 79 60GH N E -Q 72 0D 108 -2,-0.3 -7,-0.2 -7,-0.2 -8,-0.1 -0.202 26.0-169.8-160.2 75.0 27.2 -9.9 10.9 80 60HH F - 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