==== 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 14-NOV-95 1BMN . COMPND 2 MOLECULE: ALPHA-THROMBIN; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR M.MALLEY,J.SACK . 292 3 4 3 1 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13284.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 179 61.3 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 . 71 24.3 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 . 26 8.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 36 12.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 26 8.9 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 0 1 2 0 0 0 0 1 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 . 3 5 0 3 4 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 1 0 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 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 77 0, 0.0 3,-0.1 0, 0.0 2,-0.1 0.000 360.0 360.0 360.0-160.9 61.0 32.1 -10.4 2 1AL D > - 0 0 112 1,-0.1 3,-1.2 2,-0.1 144,-0.1 -0.400 360.0 -85.0 -68.2 137.9 57.5 31.0 -9.5 3 1 L a T 3 S+ 0 0 31 1,-0.2 142,-0.3 142,-0.2 -1,-0.1 0.086 104.5 18.4 -38.9 147.8 57.4 29.2 -6.2 4 2 L G T 3 S+ 0 0 0 140,-2.4 2,-0.8 241,-0.2 242,-0.5 0.322 88.2 111.2 72.4 -8.7 58.0 25.5 -5.8 5 3 L L < - 0 0 52 -3,-1.2 -1,-0.1 139,-0.2 240,-0.1 -0.885 61.7-146.7-102.6 99.9 59.9 24.9 -9.0 6 4 L R > > - 0 0 0 -2,-0.8 5,-2.6 1,-0.1 3,-0.7 -0.468 6.8-141.8 -68.1 131.7 63.5 24.2 -8.0 7 5 L P T 3 5S+ 0 0 16 0, 0.0 -1,-0.1 0, 0.0 133,-0.1 0.903 99.3 45.2 -61.7 -43.8 66.3 25.4 -10.3 8 6 L L T 3 5S+ 0 0 26 132,-0.5 30,-0.1 29,-0.3 28,-0.0 0.532 130.5 16.2 -80.7 -5.7 68.6 22.4 -9.9 9 7 L F T X>>S+ 0 0 10 -3,-0.7 5,-2.5 28,-0.2 3,-1.3 0.532 128.3 30.4-127.0 -78.0 65.8 19.8 -10.3 10 8 L E G >45S+ 0 0 28 1,-0.3 3,-1.4 2,-0.2 -5,-0.1 0.916 120.7 50.4 -56.7 -49.8 62.4 20.7 -11.8 11 9 L K G 34> S+ 0 0 38 2,-0.1 3,-2.0 3,-0.0 4,-0.7 0.386 85.3 106.7-140.9 7.0 63.4 10.2 -3.0 19 14CL E H >> S+ 0 0 5 1,-0.3 4,-1.8 2,-0.2 3,-1.3 0.884 80.2 66.7 -58.7 -27.1 60.7 12.5 -4.4 20 14DL R H 3> S+ 0 0 157 -4,-0.4 4,-1.7 1,-0.3 -1,-0.3 0.779 90.1 63.3 -61.2 -28.5 59.4 9.3 -6.1 21 14EL E H <> S+ 0 0 37 -3,-2.0 4,-0.5 2,-0.2 -1,-0.3 0.854 107.8 43.1 -64.7 -33.1 58.6 8.0 -2.7 22 14FL L H XX S+ 0 0 0 -3,-1.3 3,-1.8 -4,-0.7 4,-0.8 0.973 113.0 46.2 -74.6 -64.2 56.1 10.8 -2.3 23 14GL L H >< S+ 0 0 52 -4,-1.8 3,-0.6 1,-0.3 -2,-0.2 0.815 111.9 57.0 -51.4 -31.3 54.4 10.9 -5.7 24 14HL E H 3< S+ 0 0 144 -4,-1.7 -1,-0.3 -5,-0.3 -2,-0.2 0.772 98.1 60.0 -71.6 -30.0 54.1 7.1 -5.3 25 14IL S H << 0 0 32 -3,-1.8 -1,-0.2 -4,-0.5 -2,-0.2 0.666 360.0 360.0 -72.6 -20.9 52.2 7.5 -2.0 26 14JL Y << 0 0 63 -4,-0.8 134,-0.1 -3,-0.6 130,-0.1 -0.660 360.0 360.0 -74.1 360.0 49.4 9.4 -3.6 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 1 0, 0.0 198,-0.2 0, 0.0 143,-0.1 0.000 360.0 360.0 360.0 179.5 66.0 14.6 10.7 29 17 H V + 0 0 11 141,-0.7 197,-1.3 1,-0.3 143,-0.1 0.641 360.0 8.9 10.6 111.9 65.9 11.5 13.1 30 18 H E S S+ 0 0 123 141,-0.4 -1,-0.3 195,-0.2 194,-0.1 0.735 114.7 138.9 68.0 24.6 66.2 8.4 10.9 31 19 H G - 0 0 33 195,-0.1 2,-0.3 140,-0.1 159,-0.2 0.145 47.8-128.6 -83.1-158.6 66.9 11.0 8.2 32 20 H S E -A 189 0A 56 157,-0.9 157,-3.0 -3,-0.0 -1,-0.0 -0.986 32.9 -88.4-156.8 142.7 69.2 11.3 5.2 33 21 H D E -A 188 0A 84 -2,-0.3 155,-0.2 155,-0.2 2,-0.1 -0.285 47.6-124.6 -52.8 135.5 71.7 13.9 4.0 34 22 H A - 0 0 7 153,-3.1 2,-0.2 59,-0.1 153,-0.1 -0.441 18.5-119.4 -81.7 160.4 70.0 16.4 1.7 35 23 H E > - 0 0 69 1,-0.1 3,-1.3 -2,-0.1 4,-0.3 -0.558 43.3 -83.8 -91.9 164.1 71.3 17.0 -1.8 36 24 H I T 3 S+ 0 0 82 1,-0.3 -1,-0.1 -2,-0.2 57,-0.1 -0.418 113.6 5.7 -69.0 140.5 72.4 20.5 -2.8 37 25 H G T 3 S+ 0 0 11 2,-0.1 -29,-0.3 1,-0.1 -1,-0.3 0.585 89.7 125.1 62.1 13.4 69.5 22.8 -3.8 38 26 H M S < S+ 0 0 2 -3,-1.3 -2,-0.1 1,-0.3 -1,-0.1 0.777 85.6 24.8 -71.2 -30.2 66.9 20.1 -2.9 39 27 H S S > S+ 0 0 11 -4,-0.3 3,-2.8 102,-0.1 -1,-0.3 -0.452 70.5 170.7-133.2 63.9 65.1 22.6 -0.5 40 28 H P T 3 S+ 0 0 3 0, 0.0 103,-2.1 0, 0.0 99,-0.1 0.541 78.7 55.8 -55.4 -4.7 66.0 26.1 -1.9 41 29 H W T 3 S+ 0 0 2 101,-0.2 18,-2.0 103,-0.1 104,-0.1 0.546 76.6 117.7-102.5 -16.3 63.4 27.6 0.5 42 30 H Q E < -F 58 0B 8 -3,-2.8 49,-0.7 16,-0.2 2,-0.3 -0.276 46.7-168.1 -52.5 137.2 64.9 26.1 3.6 43 31 H V E -FG 57 90B 0 14,-1.6 14,-2.2 47,-0.1 2,-0.4 -0.962 13.4-142.3-133.2 144.7 66.0 28.9 5.9 44 32 H M E -FG 56 89B 0 45,-2.3 45,-1.9 -2,-0.3 2,-0.6 -0.874 10.2-142.6-104.4 145.0 68.1 28.8 9.1 45 33 H L E -FG 55 88B 0 10,-2.5 9,-2.8 -2,-0.4 10,-0.8 -0.947 24.7-167.6-110.0 118.6 67.4 31.0 12.0 46 34 H F E -FG 53 87B 1 41,-2.7 41,-2.7 -2,-0.6 2,-0.2 -0.918 16.9-136.5-117.6 130.6 70.6 32.1 13.6 47 35 H R E - G 0 86B 70 5,-2.8 5,-0.3 -2,-0.5 39,-0.2 -0.574 9.4-148.9 -80.0 138.0 71.2 33.8 16.9 48 36 H K S S+ 0 0 55 37,-1.6 3,-0.2 -2,-0.2 -1,-0.1 0.953 79.5 43.6 -70.8 -53.6 73.7 36.7 16.8 49 36AH S S S+ 0 0 102 1,-0.4 -1,-0.2 36,-0.4 2,-0.2 -0.828 126.4 19.4-147.8 109.0 75.2 36.4 20.4 50 37 H P S S- 0 0 76 0, 0.0 2,-0.8 0, 0.0 -1,-0.4 0.495 101.8-131.1 -67.3 154.1 75.8 33.6 21.3 51 38 H Q + 0 0 73 -3,-0.2 236,-0.3 -2,-0.2 2,-0.3 -0.722 51.7 136.3 -82.2 110.4 75.9 32.4 17.7 52 39 H E - 0 0 68 -2,-0.8 -5,-2.8 -5,-0.3 2,-0.4 -0.979 61.1 -93.6-152.5 155.9 73.7 29.3 17.6 53 40 H L E +F 46 0B 26 -2,-0.3 -7,-0.2 -7,-0.2 3,-0.1 -0.632 39.7 174.7 -75.6 125.8 71.0 27.6 15.5 54 41 H L E - 0 0 30 -9,-2.8 2,-0.3 1,-0.4 178,-0.2 0.842 56.1 -36.9 -94.8 -52.0 67.6 28.6 16.9 55 42 H b E -F 45 0B 1 -10,-0.8 -10,-2.5 176,-0.1 -1,-0.4 -0.922 56.4-100.7-160.9-178.7 65.1 27.2 14.5 56 43 H G E +F 44 0B 5 176,-3.0 12,-0.4 -2,-0.3 2,-0.2 -0.641 38.7 174.1-110.1 167.2 64.4 26.4 10.9 57 44 H A E -F 43 0B 0 -14,-2.2 -14,-1.6 -2,-0.2 2,-0.3 -0.816 20.4-117.9-154.9-167.8 62.2 28.6 8.6 58 45 H S E -FH 42 66B 0 8,-1.7 8,-2.6 -2,-0.2 2,-0.6 -0.998 11.7-129.0-151.8 143.0 61.1 29.0 5.0 59 46 H L E + H 0 65B 0 -18,-2.0 86,-2.2 -2,-0.3 6,-0.2 -0.838 28.6 165.9 -92.9 124.3 61.2 31.5 2.2 60 47 H I S S- 0 0 20 4,-2.2 2,-0.2 -2,-0.6 5,-0.2 0.652 70.1 -7.6-108.0 -23.3 57.8 32.2 0.7 61 48 H S S S- 0 0 35 3,-1.4 75,-0.1 82,-0.1 84,-0.1 -0.647 89.3 -78.1-149.1-157.3 58.7 35.3 -1.3 62 49 H D S S+ 0 0 54 -2,-0.2 74,-2.5 1,-0.1 72,-0.1 0.739 128.2 25.1 -88.7 -18.8 61.7 37.7 -1.6 63 50 H R S S+ 0 0 93 72,-0.2 69,-1.9 70,-0.1 2,-0.4 0.254 110.3 81.8-124.7 9.8 61.0 39.6 1.7 64 51 H W E - I 0 131B 13 67,-0.2 -4,-2.2 65,-0.0 -3,-1.4 -0.973 45.8-178.0-131.6 134.7 59.1 37.0 3.7 65 52 H V E -HI 59 130B 0 65,-1.6 65,-1.8 -2,-0.4 2,-0.4 -0.976 15.2-148.2-126.1 135.1 60.1 34.0 5.8 66 53 H L E +HI 58 129B 0 -8,-2.6 -8,-1.7 -2,-0.4 2,-0.2 -0.826 28.9 150.5-105.7 136.9 57.7 31.6 7.6 67 54 H T E - I 0 128B 0 61,-1.6 61,-1.7 -2,-0.4 2,-0.3 -0.845 49.2 -76.7-148.2-176.6 58.6 29.9 10.9 68 55 H A > - 0 0 0 -12,-0.4 3,-1.1 -2,-0.2 4,-0.3 -0.662 35.5-131.9 -86.4 146.4 56.9 28.6 14.1 69 56 H A G >> S+ 0 0 0 -2,-0.3 3,-2.4 1,-0.2 4,-2.1 0.936 103.9 61.7 -68.2 -40.2 55.8 31.2 16.6 70 57 H H G 34 S+ 0 0 23 1,-0.3 -1,-0.2 2,-0.2 162,-0.1 0.422 88.8 74.0 -64.5 -4.5 57.5 29.4 19.6 71 58 H b G <4 S+ 0 0 1 -3,-1.1 -1,-0.3 1,-0.1 -2,-0.2 0.730 113.5 21.9 -77.9 -28.1 60.8 29.8 17.8 72 59 H L T <4 S+ 0 0 3 -3,-2.4 9,-1.8 -4,-0.3 2,-0.4 0.669 130.5 38.2-110.1 -29.9 60.7 33.5 18.8 73 60 H L E < +L 80 0C 43 -4,-2.1 -1,-0.3 7,-0.2 7,-0.2 -0.963 50.5 141.0-135.7 125.1 58.3 33.5 21.7 74 60AH Y E > > -L 79 0C 51 5,-2.7 5,-2.3 -2,-0.4 3,-2.1 -0.520 20.1-172.7-158.6 81.9 57.9 31.1 24.6 75 60BH P G > 5S+ 0 0 47 0, 0.0 3,-1.7 0, 0.0 -1,-0.1 0.763 82.1 64.5 -45.6 -40.8 57.2 32.7 28.0 76 60CH P G 3 5S+ 0 0 70 0, 0.0 44,-0.0 0, 0.0 -2,-0.0 0.796 114.6 32.3 -61.7 -24.2 57.4 29.5 30.0 77 60DH W G < 5S- 0 0 192 -3,-2.1 3,-0.1 2,-0.1 -3,-0.0 0.074 114.8-114.2-114.3 20.0 61.1 29.1 29.0 78 60EH D T < 5 + 0 0 149 -3,-1.7 2,-0.5 1,-0.2 -5,-0.0 0.816 60.9 159.7 50.0 35.9 61.6 32.9 29.0 79 60FH K E < +L 74 0C 47 -5,-2.3 -5,-2.7 2,-0.0 2,-0.2 -0.774 2.0 143.2 -90.4 126.7 62.2 32.7 25.3 80 60GH N E -L 73 0C 97 -2,-0.5 2,-0.5 -7,-0.2 -7,-0.2 -0.733 20.3-177.8-166.6 110.3 61.8 36.1 23.5 81 60HH F - 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