==== 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 27-JUN-94 1HAI . COMPND 2 MOLECULE: ALPHA-THROMBIN (SMALL SUBUNIT); . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR A.TULINSKY,J.VIJAYALAKSHMI . 290 4 4 3 1 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12599.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 175 60.3 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 . 79 27.2 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 . 20 6.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 31 10.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 26 9.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 2.1 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 1 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 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 . 4 5 0 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 . 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 1HL T 0 0 19 0, 0.0 2,-0.3 0, 0.0 70,-0.2 0.000 360.0 360.0 360.0 -0.3 19.0 13.7 18.0 2 1GL F > + 0 0 87 68,-0.5 3,-4.1 72,-0.0 155,-1.0 -0.873 360.0 59.7 159.9-118.7 20.0 12.3 21.4 3 1FL G B 3 S-a 157 0A 17 1,-0.4 156,-0.1 -2,-0.3 -1,-0.0 -0.388 143.8 -20.5 -47.1 116.2 19.3 13.7 24.8 4 1EL S T 3 S- 0 0 31 153,-2.8 -1,-0.4 -2,-0.2 5,-0.2 0.916 117.5-116.7 40.8 36.5 15.5 13.9 24.9 5 1DL G < - 0 0 0 -3,-4.1 -2,-0.2 153,-0.1 151,-0.2 0.154 65.6 -5.9 39.3-118.9 16.5 13.7 21.2 6 1CL E S S- 0 0 65 149,-0.3 65,-0.1 -4,-0.2 151,-0.0 0.749 83.3 -96.8 -75.0-111.2 15.7 16.5 18.8 7 1BL A S S+ 0 0 77 149,-0.0 -2,-0.1 -6,-0.0 -1,-0.1 0.302 122.8 41.4-144.5 -32.9 13.6 19.5 19.9 8 1AL D S > S+ 0 0 70 147,-0.1 3,-1.7 3,-0.0 148,-0.1 0.217 92.7 148.5-100.8 4.7 10.1 18.5 18.7 9 1 L a T 3 + 0 0 2 1,-0.3 146,-0.2 -5,-0.2 147,-0.1 -0.016 59.0 10.2 -55.0 142.1 11.0 15.0 19.9 10 2 L G T 3 S+ 0 0 0 144,-2.6 241,-1.0 240,-0.2 2,-0.6 0.496 92.1 118.6 71.6 8.2 8.4 12.7 21.2 11 3 L L < - 0 0 31 -3,-1.7 -1,-0.1 143,-0.2 239,-0.1 -0.975 59.1-139.9-109.3 108.2 5.4 14.9 20.1 12 4 L R > > - 0 0 0 -2,-0.6 5,-2.1 1,-0.1 3,-1.7 -0.605 3.6-142.9 -74.5 126.2 3.3 13.0 17.6 13 5 L P T 3 5S+ 0 0 22 0, 0.0 -1,-0.1 0, 0.0 137,-0.1 0.876 100.6 39.8 -52.3 -32.6 1.9 14.9 14.6 14 6 L L T 3 5S+ 0 0 29 136,-0.5 34,-0.1 33,-0.3 136,-0.0 0.458 131.8 17.4-105.3 1.2 -1.4 13.0 14.6 15 7 L F T < >S+ 0 0 16 -3,-1.7 5,-5.4 32,-0.1 3,-0.2 0.593 128.0 32.1-130.3 -65.6 -2.0 12.8 18.3 16 8 L E T > 5S+ 0 0 23 -4,-0.4 3,-1.5 3,-0.2 -2,-0.1 0.935 118.2 51.9 -67.1 -49.1 -0.0 15.2 20.6 17 9 L K T 3 > S+ 0 0 33 2,-0.1 3,-1.3 1,-0.1 4,-1.0 0.349 85.2 103.4-130.2 5.3 -4.4 3.0 25.4 25 14CL E H 3> S+ 0 0 6 -3,-0.3 4,-1.5 1,-0.3 3,-0.3 0.794 77.6 66.0 -58.8 -24.6 -2.1 5.8 26.3 26 14DL R H 3> S+ 0 0 111 -4,-0.4 4,-3.0 1,-0.2 9,-0.3 0.812 91.7 61.3 -59.7 -44.4 -4.3 6.4 29.5 27 14EL E H <> S+ 0 0 33 -3,-1.3 4,-0.8 1,-0.2 -1,-0.2 0.914 105.2 48.9 -53.3 -38.6 -3.3 3.0 30.8 28 14FL L H >X S+ 0 0 0 -4,-1.0 3,-1.2 -3,-0.3 4,-0.9 0.963 112.8 44.8 -63.0 -56.2 0.3 4.2 30.9 29 14GL L H >< S+ 0 0 23 -4,-1.5 3,-1.1 1,-0.3 5,-0.5 0.914 109.8 55.9 -61.9 -35.1 -0.4 7.5 32.7 30 14HL E H 3< S+ 0 0 110 -4,-3.0 4,-0.5 4,-0.3 -1,-0.3 0.667 103.2 56.5 -70.1 -22.1 -2.7 5.8 35.1 31 14IL S H << S+ 0 0 18 -3,-1.2 2,-2.4 -4,-0.8 -1,-0.3 0.716 87.2 72.8 -81.9 -22.1 0.2 3.5 36.0 32 14JL Y S << S- 0 0 12 -3,-1.1 -1,-0.2 -4,-0.9 -2,-0.1 -0.238 142.5 -81.9 -82.0 42.0 2.5 6.5 36.9 33 14KL I S S- 0 0 136 -2,-2.4 -2,-0.2 -3,-0.2 -3,-0.2 0.857 99.3 -37.4 39.2 57.1 0.1 6.4 39.9 34 14LL D S S- 0 0 106 -5,-0.5 -4,-0.3 -4,-0.5 -5,-0.1 0.936 86.4-106.9 61.0 111.5 -2.2 8.4 37.3 35 14ML G 0 0 15 -9,-0.3 212,-0.0 1,-0.0 210,-0.0 0.270 360.0 360.0 -48.0-177.6 -0.6 10.9 35.0 36 15 L R 0 0 236 210,-0.1 211,-0.0 209,-0.0 209,-0.0 0.690 360.0 360.0 -37.4 360.0 -0.5 14.3 34.8 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,-0.4 0, 0.0 3,-0.4 0.000 360.0 360.0 360.0 133.1 4.5 -9.1 19.7 39 17 H V B +B 231 0B 12 192,-2.6 192,-1.5 1,-0.2 143,-0.1 -0.820 360.0 0.8-109.5 132.1 2.3 -11.6 21.6 40 18 H E S S+ 0 0 128 -2,-0.4 -1,-0.2 141,-0.4 2,-0.1 0.818 101.2 121.5 64.5 35.6 -1.1 -10.5 23.0 41 19 H G - 0 0 24 -3,-0.4 2,-0.3 154,-0.1 154,-0.2 -0.305 54.5-115.7-106.8-158.1 -0.9 -7.0 21.6 42 20 H S E -C 194 0C 77 152,-2.2 152,-2.4 -2,-0.1 2,-0.1 -0.825 35.7 -81.8-140.1 167.3 -3.1 -5.0 19.2 43 21 H D E -C 193 0C 103 -2,-0.3 150,-0.3 150,-0.2 2,-0.1 -0.478 53.6-117.3 -69.7 140.7 -2.8 -3.4 15.7 44 22 H A - 0 0 6 148,-3.4 2,-0.2 59,-0.1 -1,-0.1 -0.485 26.4-115.9 -71.2 161.0 -1.1 -0.1 16.1 45 23 H E > - 0 0 43 -2,-0.1 3,-1.8 1,-0.1 4,-0.3 -0.508 46.8 -81.6 -83.5 157.6 -3.2 3.0 15.1 46 24 H I T 3 S+ 0 0 95 1,-0.3 -1,-0.1 -2,-0.2 57,-0.1 -0.477 116.8 7.0 -63.3 136.7 -1.9 5.0 12.2 47 25 H G T 3 S+ 0 0 11 104,-0.1 -33,-0.3 -2,-0.1 -1,-0.3 0.490 90.1 125.1 61.5 21.1 0.9 7.4 13.3 48 26 H M S < S+ 0 0 6 -3,-1.8 -2,-0.1 1,-0.3 -36,-0.1 0.782 84.8 23.4 -72.1 -36.6 1.0 5.9 16.9 49 27 H S > + 0 0 12 -4,-0.3 3,-2.3 102,-0.1 -1,-0.3 -0.648 68.3 166.7-131.8 75.4 4.7 5.2 16.7 50 28 H P T 3 S+ 0 0 1 0, 0.0 103,-2.0 0, 0.0 99,-0.1 0.424 75.9 60.8 -70.9 -8.7 6.2 7.5 14.1 51 29 H W T 3 S+ 0 0 2 101,-0.2 18,-2.3 103,-0.1 2,-0.3 0.393 77.3 118.2 -94.3 -8.0 9.8 6.7 15.3 52 30 H Q E < -K 68 0D 3 -3,-2.3 49,-1.0 16,-0.2 50,-0.4 -0.476 44.2-173.1 -67.6 128.8 9.3 3.0 14.4 53 31 H V E -KL 67 100D 0 14,-1.9 14,-1.0 -2,-0.3 2,-0.5 -0.937 19.7-134.6-122.2 148.8 11.8 1.8 11.7 54 32 H M E -KL 66 99D 0 45,-3.2 45,-2.3 -2,-0.3 2,-0.7 -0.897 13.6-142.8-103.1 128.3 11.9 -1.6 9.9 55 33 H L E -KL 65 98D 0 10,-3.6 9,-3.2 -2,-0.5 10,-0.6 -0.862 30.9-164.9 -91.4 114.0 15.4 -3.2 9.6 56 34 H F E -KL 63 97D 24 41,-2.6 41,-2.3 -2,-0.7 2,-0.4 -0.899 18.9-136.4-120.6 132.1 15.3 -4.7 6.2 57 35 H R E > -KL 62 96D 72 5,-4.6 5,-0.5 -2,-0.5 39,-0.2 -0.533 8.0-149.1 -83.3 129.4 17.5 -7.2 4.5 58 36 H K T 5S+ 0 0 76 37,-1.9 3,-0.2 -2,-0.4 -1,-0.1 0.959 78.4 41.0 -57.7 -51.9 18.4 -6.6 0.9 59 36AH S T 5S+ 0 0 100 1,-0.4 -1,-0.2 36,-0.4 2,-0.2 -0.902 126.1 19.8-161.6 118.8 18.6 -10.3 -0.3 60 37 H P T 5S- 0 0 84 0, 0.0 -1,-0.4 0, 0.0 2,-0.4 0.673 108.2-125.5 -58.1 149.0 16.8 -12.4 0.5 61 38 H Q T 5 + 0 0 140 -3,-0.2 2,-0.3 -2,-0.2 -3,-0.2 -0.693 51.0 157.8 -64.0 122.0 14.6 -9.3 1.2 62 39 H E E < -K 57 0D 70 -5,-0.5 -5,-4.6 -2,-0.4 2,-0.9 -0.995 52.8-107.4-160.0 152.7 13.6 -9.8 4.9 63 40 H L E +K 56 0D 36 -2,-0.3 -7,-0.2 -7,-0.2 3,-0.1 -0.737 37.1 174.5 -71.5 107.9 12.5 -8.2 8.0 64 41 H L E - 0 0 24 -9,-3.2 2,-0.3 -2,-0.9 -1,-0.2 0.969 54.6 -50.9 -80.8 -55.7 15.6 -8.4 10.3 65 42 H b E -K 55 0D 3 -10,-0.6 -10,-3.6 171,-0.1 -1,-0.3 -0.900 56.1 -83.4-166.9-178.9 14.4 -6.3 13.3 66 43 H G E +K 54 0D 3 171,-1.7 12,-0.4 -2,-0.3 2,-0.3 -0.244 39.8 178.4 -90.1-179.9 12.7 -3.1 14.6 67 44 H A E -K 53 0D 0 -14,-1.0 -14,-1.9 10,-0.1 2,-0.3 -0.846 18.7-130.4-172.1 167.3 14.7 0.2 15.1 68 45 H S E -KM 52 76D 0 8,-1.3 8,-2.8 -2,-0.3 2,-0.5 -0.974 15.1-123.3-139.9 144.8 13.8 3.7 16.2 69 46 H L E + M 0 75D 0 -18,-2.3 86,-2.2 -2,-0.3 6,-0.2 -0.819 25.9 173.7 -90.0 122.4 14.5 7.2 14.8 70 47 H I S S- 0 0 0 4,-2.1 -68,-0.5 -2,-0.5 2,-0.3 0.432 72.6 -11.1-106.1 -3.6 16.2 9.6 17.3 71 48 H S S S- 0 0 0 3,-1.0 3,-0.3 -70,-0.2 -1,-0.3 -0.924 88.9 -76.7-174.1-176.9 16.9 12.3 14.7 72 49 H D S S+ 0 0 30 -2,-0.3 74,-2.4 1,-0.2 72,-0.1 0.602 129.6 28.0 -73.2 -11.5 16.7 12.9 10.9 73 50 H R S S+ 0 0 74 72,-0.2 69,-3.5 1,-0.1 2,-0.5 0.468 107.3 73.1-121.8 -16.2 19.9 11.0 10.5 74 51 H W E - N 0 141D 0 -3,-0.3 -4,-2.1 67,-0.2 -3,-1.0 -0.955 48.3-170.3-114.1 134.6 20.3 8.4 13.3 75 52 H V E -MN 69 140D 0 65,-2.5 65,-2.9 -2,-0.5 2,-0.4 -0.961 11.3-148.3-119.6 144.7 18.7 5.2 14.0 76 53 H L E +MN 68 139D 0 -8,-2.8 -8,-1.3 -2,-0.4 2,-0.3 -0.881 28.8 150.0-107.0 135.2 18.9 3.1 17.3 77 54 H T E - N 0 138D 0 61,-2.5 61,-2.1 -2,-0.4 2,-0.4 -0.872 50.0 -76.7-146.4-177.8 18.7 -0.7 17.3 78 55 H A > - 0 0 0 -12,-0.4 3,-1.9 -2,-0.3 4,-0.3 -0.721 34.6-138.5 -84.5 130.9 19.8 -3.9 19.1 79 56 H A G >> S+ 0 0 0 -2,-0.4 4,-2.2 1,-0.3 3,-2.1 0.812 100.0 68.0 -59.1 -34.7 23.5 -4.8 18.3 80 57 H H G 34 S+ 0 0 2 1,-0.3 -1,-0.3 2,-0.2 157,-0.0 0.596 87.2 68.8 -67.0 -6.6 22.5 -8.5 18.0 81 58 H b G <4 S+ 0 0 0 -3,-1.9 -1,-0.3 1,-0.1 -2,-0.2 0.750 113.9 27.5 -79.5 -24.1 20.5 -7.6 14.9 82 59 H L T <4 S+ 0 0 0 -3,-2.1 9,-3.5 -4,-0.3 2,-0.4 0.820 129.2 34.1-101.4 -38.4 23.8 -6.9 13.1 83 60 H L E < +Q 90 0E 37 -4,-2.2 -1,-0.3 7,-0.3 7,-0.2 -0.981 53.2 138.4-133.5 112.9 26.3 -9.2 14.9 84 60AH Y E > > -Q 89 0E 19 5,-3.4 3,-2.6 -2,-0.4 5,-2.0 -0.594 21.1-176.3-155.5 82.8 25.6 -12.6 16.4 85 60BH P G > 5S+ 0 0 46 0, 0.0 3,-3.1 0, 0.0 -1,-0.1 0.800 78.5 66.7 -55.1 -40.8 28.5 -14.9 15.6 86 60CH P G 3 5S+ 0 0 72 0, 0.0 44,-0.0 0, 0.0 0, 0.0 0.563 111.4 38.0 -53.7 -24.1 27.0 -18.0 17.2 87 60DH W G < 5S- 0 0 146 -3,-2.6 3,-0.1 2,-0.1 0, 0.0 0.028 119.5-108.1-111.0 12.9 24.4 -17.8 14.3 88 60EH D T < 5 + 0 0 158 -3,-3.1 2,-0.7 1,-0.2 -5,-0.0 0.719 68.9 152.6 65.4 25.7 26.9 -16.7 11.6 89 60FH K E < +Q 84 0E 42 -5,-2.0 -5,-3.4 1,-0.0 -1,-0.2 -0.830 6.4 140.4 -97.5 113.0 25.3 -13.2 11.7 90 60GH N E -Q 83 0E 112 -2,-0.7 2,-0.3 -7,-0.2 -7,-0.3 -0.529 26.7-170.0-150.1 85.1 27.5 -10.3 10.8 91 60HH F - 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