==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=4-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE(SERINE PROTEINASE) 25-FEB-93 1HRT . COMPND 2 MOLECULE: THROMBIN (SMALL SUBUNIT); . SOURCE 2 ORGANISM_SCIENTIFIC: BOS TAURUS; . AUTHOR J.VITALI,B.F.P.EDWARDS . 360 3 7 6 1 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 15453.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 215 59.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 7 1.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 80 22.2 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 3 0.8 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 0.6 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 . 3 0.8 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 . 38 10.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 39 10.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 24 6.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 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 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 RESIDUES PER ALPHA HELIX . 2 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 PARALLEL BRIDGES PER LADDER . 6 3 0 7 2 0 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 . 2 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 1HL T 0 0 95 0, 0.0 291,-0.2 0, 0.0 290,-0.1 0.000 360.0 360.0 360.0 56.2 26.5 34.9 7.8 2 1GL F - 0 0 72 289,-1.0 2,-1.1 1,-0.2 70,-0.3 0.469 360.0-138.2 -70.2 1.7 23.8 35.8 10.4 3 1FL G + 0 0 44 1,-0.1 2,-0.6 68,-0.1 -1,-0.2 -0.665 36.5 174.1 86.4 -90.0 25.8 33.9 13.0 4 1EL A + 0 0 7 -2,-1.1 2,-0.2 1,-0.1 -1,-0.1 0.145 67.4 87.2 66.7 -22.4 23.5 31.9 15.3 5 1DL G + 0 0 67 -2,-0.6 -1,-0.1 151,-0.1 66,-0.1 -0.297 68.6 177.5-101.8 47.7 26.7 30.5 16.8 6 1CL E > - 0 0 60 64,-0.5 3,-0.6 -2,-0.2 -3,-0.0 0.060 36.9-131.1 -51.1 154.4 27.2 33.2 19.3 7 1BL A T 3 S+ 0 0 90 1,-0.2 -1,-0.1 149,-0.0 149,-0.0 0.643 107.9 54.1 -82.1 -22.9 30.0 33.3 21.9 8 1AL D T > S+ 0 0 76 147,-0.0 3,-0.8 2,-0.0 2,-0.3 -0.228 84.9 157.1-105.7 37.6 27.7 34.0 24.8 9 1 L a T < - 0 0 20 -3,-0.6 146,-0.2 1,-0.2 147,-0.1 -0.470 62.3 -8.5 -73.7 132.4 25.6 31.0 23.8 10 2 L G T 3 S+ 0 0 0 144,-2.5 246,-1.0 -2,-0.3 2,-0.7 0.722 85.8 136.2 50.4 38.0 23.5 29.4 26.4 11 3 L L < - 0 0 22 -3,-0.8 -1,-0.2 143,-0.3 244,-0.1 -0.946 54.2-134.3-108.8 102.4 24.7 31.3 29.4 12 4 L R > - 0 0 0 -2,-0.7 6,-0.6 1,-0.2 5,-0.5 -0.504 2.8-145.1 -67.8 110.9 21.6 32.2 31.3 13 5 L P T 5S+ 0 0 15 0, 0.0 -1,-0.2 0, 0.0 137,-0.1 0.685 99.4 32.1 -44.5 -30.0 21.7 35.8 32.4 14 6 L L T 5S+ 0 0 25 33,-0.3 6,-0.6 136,-0.3 4,-0.2 0.830 127.7 32.9 -97.1 -49.4 19.8 34.9 35.6 15 7 L F T >>S+ 0 0 14 32,-0.3 5,-1.7 2,-0.1 4,-0.7 0.945 134.3 11.2 -73.4 -90.7 21.0 31.4 36.4 16 8 L E T >45S+ 0 0 17 1,-0.2 3,-7.4 2,-0.2 4,-0.3 0.975 126.9 56.2 -50.7 -79.0 24.6 30.9 35.3 17 9 L K T 34> - 0 0 2 -2,-0.1 3,-0.7 26,-0.0 4,-0.5 -0.786 28.5-105.1-109.6 143.8 18.2 26.3 38.6 23 14AL Q T 34 S+ 0 0 137 -2,-0.3 3,-0.1 1,-0.3 -2,-0.0 0.604 113.3 18.0 -31.2 -47.4 15.6 24.3 40.5 24 14BL T T >> S+ 0 0 13 1,-0.1 3,-2.0 2,-0.1 4,-0.6 0.390 92.3 109.1-114.6 -10.7 15.9 20.8 38.9 25 14CL E H <> S+ 0 0 9 -3,-0.7 4,-1.2 1,-0.3 5,-0.2 0.732 70.3 62.0 -42.5 -38.1 19.3 21.4 37.2 26 14DL K H 3X S+ 0 0 102 -4,-0.5 4,-0.9 1,-0.2 -1,-0.3 0.873 93.5 68.5 -58.1 -38.4 21.1 18.9 39.6 27 14EL E H X> S+ 0 0 48 -3,-2.0 3,-2.2 1,-0.2 4,-0.7 0.942 98.0 48.8 -46.4 -61.7 18.9 16.3 38.2 28 14FL L H >X S+ 0 0 0 -4,-0.6 3,-1.1 1,-0.3 4,-1.1 0.832 113.5 44.4 -51.9 -45.7 20.6 16.6 34.8 29 14GL F H 3< S+ 0 0 42 -4,-1.2 4,-0.3 1,-0.2 -1,-0.3 0.406 106.1 63.1 -79.2 0.5 24.2 16.3 36.3 30 14HL E H << S+ 0 0 100 -3,-2.2 -1,-0.2 -4,-0.9 -2,-0.2 0.519 100.4 54.9 -93.0 -14.1 22.9 13.4 38.5 31 14IL S H X< S+ 0 0 13 -3,-1.1 3,-0.9 -4,-0.7 4,-0.3 0.900 108.1 46.2 -78.2 -51.0 22.3 11.6 35.3 32 14JL Y T 3< S+ 0 0 28 -4,-1.1 4,-0.3 1,-0.2 -2,-0.2 0.581 111.9 52.4 -67.6 -19.3 25.9 12.0 34.1 33 14KL I T 3 S+ 0 0 127 -4,-0.3 -1,-0.2 2,-0.1 -2,-0.1 0.089 105.3 48.9-110.5 18.6 27.4 11.0 37.5 34 14LL E S < S- 0 0 117 -3,-0.9 -2,-0.2 136,-0.0 -1,-0.1 0.205 115.2-158.9-127.1 -8.8 25.6 7.6 38.0 35 14ML G 0 0 26 -4,-0.3 -2,-0.1 1,-0.1 -3,-0.1 0.597 360.0 360.0 50.2 177.9 26.7 7.1 34.5 36 15 L R 0 0 222 -4,-0.3 133,-0.2 134,-0.0 -4,-0.1 0.198 360.0 360.0 165.6 360.0 26.7 5.6 31.1 37 !* 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 38 16 H I > 0 0 0 0, 0.0 2,-0.7 0, 0.0 3,-0.6 0.000 360.0 360.0 360.0 118.1 4.8 18.8 28.3 39 17 H V B 3 -A 236 0A 2 197,-3.3 197,-1.5 1,-0.2 142,-0.1 -0.741 360.0 -11.4 -84.8 112.1 3.0 15.8 29.9 40 18 H E T 3 S+ 0 0 88 -2,-0.7 -1,-0.2 141,-0.3 194,-0.2 0.925 99.8 123.1 58.6 59.3 3.7 15.9 33.6 41 19 H G < - 0 0 23 -3,-0.6 2,-0.3 159,-0.1 159,-0.2 0.106 55.9-106.9-109.5-137.3 6.3 18.5 33.9 42 20 H Q - 0 0 69 157,-0.3 157,-1.9 -2,-0.1 -3,-0.0 -0.938 34.7 -78.9-167.2 143.5 6.2 21.6 36.0 43 21 H D B -B 198 0B 109 -2,-0.3 155,-0.3 155,-0.2 2,-0.2 -0.142 54.3-125.1 -43.7 131.1 5.8 25.4 35.7 44 22 H A - 0 0 5 153,-3.6 153,-0.1 59,-0.1 -1,-0.1 -0.586 17.0-116.7 -84.4 145.9 9.1 26.8 34.6 45 23 H E > - 0 0 47 -2,-0.2 3,-1.6 1,-0.1 4,-0.3 -0.367 44.4 -88.9 -75.7 163.0 10.9 29.6 36.5 46 24 H V T 3 S+ 0 0 72 1,-0.3 -1,-0.1 2,-0.1 57,-0.1 -0.494 118.4 18.5 -73.2 144.6 11.3 33.0 34.7 47 25 H G T 3 S+ 0 0 9 -2,-0.2 -32,-0.3 104,-0.1 -1,-0.3 0.462 89.4 117.7 74.4 -1.0 14.6 32.9 32.8 48 26 H L S < S+ 0 0 2 -3,-1.6 -2,-0.1 1,-0.3 -1,-0.1 0.743 90.6 22.9 -67.5 -21.6 14.6 29.1 33.1 49 27 H S > + 0 0 15 -4,-0.3 3,-2.2 1,-0.1 -1,-0.3 -0.378 64.7 166.1-149.5 70.3 14.5 29.2 29.3 50 28 H P T 3 S+ 0 0 1 0, 0.0 51,-0.5 0, 0.0 103,-0.5 0.747 82.6 50.8 -46.7 -38.1 15.7 32.3 27.7 51 29 H W T 3 S+ 0 0 0 101,-0.2 2,-0.9 103,-0.1 18,-0.8 0.301 77.5 113.6 -89.6 3.0 15.9 30.7 24.3 52 30 H Q E < +J 68 0C 2 -3,-2.2 50,-0.6 16,-0.2 49,-0.4 -0.765 45.1 180.0 -85.2 104.0 12.4 29.2 24.3 53 31 H V E -J 67 0C 0 14,-1.6 14,-0.9 -2,-0.9 2,-0.4 -0.363 20.5-133.3 -91.6 172.9 10.4 31.1 21.5 54 32 H M E -JK 66 99C 0 45,-1.8 2,-0.8 12,-0.2 45,-0.7 -0.986 8.2-139.2-134.2 120.0 6.8 30.5 20.5 55 33 H L E -JK 65 98C 0 10,-3.3 9,-2.3 -2,-0.4 10,-1.6 -0.766 28.1-164.2 -83.7 114.7 5.6 30.2 16.8 56 34 H F E -JK 63 97C 8 41,-4.2 41,-3.3 -2,-0.8 2,-0.3 -0.869 19.9-135.8-105.5 105.5 2.4 32.3 16.8 57 35 H R E > -JK 62 96C 43 5,-1.1 5,-0.9 -2,-0.6 39,-0.3 -0.412 27.6-132.5 -58.7 115.5 -0.2 31.9 13.9 58 36 H K E 5S+J 61 0C 21 37,-2.1 304,-0.5 -2,-0.3 3,-0.2 0.282 80.1 11.3 -56.6 1.3 -0.8 35.6 13.4 59 36AH S T 5S+ 0 0 64 1,-0.8 -1,-0.2 36,-0.3 2,-0.1 0.168 102.2 70.7 136.8 104.4 -4.7 35.3 13.3 60 37 H P T 5S- 0 0 77 0, 0.0 -1,-0.8 0, 0.0 2,-0.7 -0.075 98.9-121.8 -40.0 124.6 -6.3 32.9 14.0 61 38 H Q E 5 +J 58 0C 95 -3,-0.2 2,-0.3 -2,-0.1 292,-0.2 -0.349 66.6 113.4 -57.7 101.1 -5.2 33.6 17.6 62 39 H E E < -J 57 0C 19 -5,-0.9 -5,-1.1 -2,-0.7 2,-0.6 -0.917 68.4-105.4-174.6 148.6 -3.4 30.4 18.6 63 40 H L E -J 56 0C 0 286,-1.4 -7,-0.2 -2,-0.3 3,-0.1 -0.709 30.1-179.8 -84.7 120.7 -0.0 28.9 19.6 64 41 H L E - 0 0 9 -9,-2.3 2,-0.3 -2,-0.6 176,-0.2 0.823 54.4 -49.3 -89.8 -40.7 1.3 26.8 16.7 65 42 H b E -J 55 0C 4 -10,-1.6 -10,-3.3 176,-0.1 -1,-0.3 -0.977 49.1 -93.3-174.8-175.1 4.6 25.6 18.2 66 43 H G E +J 54 0C 2 176,-1.9 12,-0.4 -12,-0.3 2,-0.3 -0.596 32.4 176.4-110.8 167.1 7.8 26.2 20.0 67 44 H A E -J 53 0C 0 -14,-0.9 -14,-1.6 -2,-0.2 2,-0.2 -0.882 25.6-116.6-161.0 173.4 11.2 26.9 18.5 68 45 H S E -JL 52 76C 0 8,-2.9 8,-2.1 -2,-0.3 2,-0.5 -0.701 19.5-130.5-116.2 168.1 14.6 27.8 19.9 69 46 H L + 0 0 0 -18,-0.8 86,-1.1 84,-0.2 6,-0.2 -0.925 33.4 157.0-133.5 113.4 16.7 31.0 19.4 70 47 H I + 0 0 0 -2,-0.5 -64,-0.5 84,-0.3 -1,-0.1 0.886 67.9 27.2 -98.9 -55.1 20.3 30.8 18.4 71 48 H S S S- 0 0 0 -66,-0.1 -68,-0.1 -68,-0.1 84,-0.0 0.469 90.5-110.4 -78.8-125.0 21.5 34.0 16.7 72 49 H D S S+ 0 0 24 -70,-0.3 74,-4.0 82,-0.1 -69,-0.1 0.021 121.5 37.2-150.4 -2.5 19.6 37.1 17.7 73 50 H R S S+ 0 0 52 72,-0.3 69,-3.5 -71,-0.2 2,-0.3 0.236 109.6 80.0-136.6 5.5 18.1 37.2 14.3 74 51 H W E - M 0 141C 0 67,-0.2 2,-0.3 -72,-0.1 67,-0.2 -0.828 52.1-170.2-119.9 160.4 17.7 33.4 13.8 75 52 H V E - M 0 140C 0 65,-1.4 65,-2.1 -2,-0.3 2,-0.4 -0.969 9.6-152.0-142.8 151.4 15.2 30.8 15.0 76 53 H L E +LM 68 139C 0 -8,-2.1 -8,-2.9 -2,-0.3 2,-0.2 -0.995 27.0 154.1-130.5 122.8 15.2 27.0 14.8 77 54 H T E - M 0 138C 0 61,-2.7 61,-1.7 -2,-0.4 2,-0.6 -0.673 48.4 -86.3-132.7-175.2 12.0 25.0 14.7 78 55 H A > - 0 0 0 -12,-0.4 3,-2.5 -2,-0.2 59,-0.3 -0.932 37.6-126.8-106.9 124.7 10.8 21.7 13.4 79 56 H A G >> S+ 0 0 0 -2,-0.6 3,-4.8 1,-0.3 4,-1.0 0.794 101.6 62.9 -25.7 -75.8 9.8 21.7 9.8 80 57 H H G 34 S+ 0 0 7 1,-0.3 -1,-0.3 2,-0.2 183,-0.0 0.530 90.3 69.4 -36.5 -22.1 6.3 20.2 10.1 81 58 H b G <4 S+ 0 0 0 -3,-2.5 -1,-0.3 1,-0.1 -2,-0.2 0.702 116.0 26.3 -71.4 -23.0 5.2 23.2 12.2 82 59 H L T <4 S+ 0 0 0 -3,-4.8 9,-1.2 1,-0.3 2,-0.4 0.719 134.9 24.6-106.5 -38.9 5.6 25.1 8.9 83 60 H L E < +P 90 0D 45 -4,-1.0 -1,-0.3 7,-0.3 7,-0.3 -0.940 60.9 148.2-135.8 106.5 5.0 22.6 6.1 84 60AH Y E > > -P 89 0D 2 5,-2.2 3,-1.8 -2,-0.4 5,-1.1 -0.709 26.3-166.8-144.5 74.5 3.0 19.6 7.0 85 60BH P G > 5S+ 0 0 40 0, 0.0 3,-1.0 0, 0.0 5,-0.1 0.689 81.5 56.5 -36.6 -41.6 1.2 18.8 3.7 86 60CH P G 3 5S+ 0 0 23 0, 0.0 44,-0.0 0, 0.0 0, 0.0 0.843 106.3 48.7 -67.3 -36.2 -1.3 16.3 5.1 87 60DH W G < 5S- 0 0 45 -3,-1.8 3,-0.1 2,-0.1 259,-0.1 0.179 123.1-103.9 -91.5 19.4 -2.7 18.8 7.7 88 60EH D T < 5S+ 0 0 157 -3,-1.0 2,-0.5 1,-0.2 -1,-0.0 0.971 72.1 159.8 53.5 55.2 -3.0 21.4 4.9 89 60FH K E < +P 84 0D 18 -5,-1.1 -5,-2.2 2,-0.0 2,-0.3 -0.938 15.3 125.9-120.8 115.0 0.1 23.0 6.4 90 60GH N E -P 83 0D 124 -2,-0.5 2,-0.3 -7,-0.3 -7,-0.3 -0.842 38.7-168.9-157.1 123.6 2.3 25.3 4.4 91 60HH F - 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