==== 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 28-AUG-94 1HLT . COMPND 2 MOLECULE: ALPHA-THROMBIN (SMALL SUBUNIT); . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR A.TULINSKY,I.I.MATHEWS . 575 9 8 6 2 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 23792.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 352 61.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 4 0.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 149 25.9 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 7 1.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 3 0.5 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 0.5 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 . 52 9.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 55 9.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 53 9.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 13 2.3 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 2 0 5 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 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 . 8 7 0 8 8 0 2 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 0 2 0 0 1 0 2 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 0 130 0, 0.0 61,-0.0 0, 0.0 146,-0.0 0.000 360.0 360.0 360.0 -13.4 -20.8 8.6 20.0 2 1AL D > + 0 0 84 144,-0.0 3,-0.8 3,-0.0 145,-0.1 0.539 360.0 141.8-103.1 -18.5 -18.1 6.3 18.7 3 1 L a T 3 + 0 0 21 1,-0.2 143,-0.2 143,-0.1 3,-0.1 0.421 49.5 16.8 -24.7 147.3 -15.9 9.1 19.7 4 2 L G T 3 S+ 0 0 0 141,-2.6 239,-2.0 238,-0.2 2,-0.6 0.391 91.4 113.0 61.4 6.0 -12.5 9.1 21.2 5 3 L L < - 0 0 29 -3,-0.8 -1,-0.2 140,-0.2 237,-0.1 -0.950 65.7-134.1-109.8 117.2 -11.9 5.4 20.3 6 4 L R > > - 0 0 0 -2,-0.6 3,-3.5 1,-0.1 5,-2.0 -0.562 2.2-144.8 -85.9 115.3 -9.1 5.1 17.7 7 5 L P I 3 >S+ 0 0 16 0, 0.0 5,-1.4 0, 0.0 4,-0.4 0.827 101.1 38.2 -39.3 -63.5 -9.7 2.9 14.7 8 6 L L I 3 5S+ 0 0 36 133,-0.6 31,-0.1 30,-0.3 -2,-0.1 0.332 135.3 16.1 -78.6 7.1 -6.1 1.8 14.5 9 7 L F I <>>S+ 0 0 14 -3,-3.5 4,-3.5 29,-0.1 5,-1.1 0.320 123.0 42.7-134.5 -82.5 -5.5 1.6 18.3 10 8 L E I 45S+ 0 0 29 3,-0.2 -2,-0.1 2,-0.2 5,-0.1 0.683 126.7 39.0 -46.5 -24.4 -8.4 1.5 20.7 11 9 L K I 4 - 0 0 5 -2,-0.3 3,-1.6 1,-0.1 4,-0.4 -0.550 39.2 -91.6 -90.6 151.7 0.5 4.0 21.1 17 14AL K T 3 S+ 0 0 88 1,-0.3 -1,-0.1 -2,-0.2 3,-0.1 0.657 117.4 14.6 -26.8 -38.9 4.2 4.6 21.8 18 14BL T T >> S+ 0 0 33 1,-0.1 3,-0.8 2,-0.1 4,-0.6 0.305 87.5 101.8-137.2 23.5 3.5 6.8 24.9 19 14CL E H <> S+ 0 0 2 -3,-1.6 4,-2.3 1,-0.3 5,-0.1 0.520 75.1 71.7 -83.7 -11.6 -0.1 6.7 26.3 20 14DL R H 3> S+ 0 0 114 -4,-0.4 4,-1.8 1,-0.2 -1,-0.3 0.748 92.0 61.4 -67.7 -31.1 1.0 4.4 29.1 21 14EL E H <> S+ 0 0 57 -3,-0.8 4,-0.7 2,-0.2 -1,-0.2 0.934 106.1 42.7 -58.2 -51.4 2.7 7.6 30.3 22 14FL L H >X S+ 0 0 0 -4,-0.6 3,-2.3 2,-0.2 4,-0.8 0.970 111.8 52.2 -57.6 -60.8 -0.6 9.4 30.7 23 14GL L H >< S+ 0 0 39 -4,-2.3 3,-0.7 1,-0.3 -1,-0.2 0.845 108.5 54.3 -54.5 -27.0 -2.5 6.5 32.2 24 14HL E H 3< S+ 0 0 141 -4,-1.8 -1,-0.3 1,-0.2 -2,-0.2 0.697 97.2 64.4 -80.7 -16.9 0.2 6.2 34.7 25 14IL S H << S+ 0 0 21 -3,-2.3 2,-0.8 -4,-0.7 -1,-0.2 0.743 83.6 85.3 -77.4 -22.9 -0.1 9.8 35.7 26 14JL Y << 0 0 32 -4,-0.8 -1,-0.1 -3,-0.7 135,-0.1 -0.747 360.0 360.0 -91.8 108.0 -3.7 9.4 37.1 27 14KL I 0 0 107 -2,-0.8 -3,-0.0 0, 0.0 -4,-0.0 -0.892 360.0 360.0 105.9 360.0 -3.6 8.2 40.7 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,-1.1 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 127.1 5.5 21.7 19.0 30 17 H V B 3 +A 223 0A 11 193,-1.1 193,-1.1 1,-0.2 143,-0.1 -0.577 360.0 0.0 -76.8 121.8 8.6 22.4 21.0 31 18 H E T 3 S+ 0 0 113 -2,-0.4 -1,-0.2 141,-0.3 190,-0.2 0.689 102.3 135.1 75.7 23.9 10.4 19.4 22.5 32 19 H G < - 0 0 25 -3,-1.1 155,-0.2 191,-0.1 2,-0.2 0.166 50.0-117.1 -81.0-160.6 7.8 16.9 21.1 33 20 H S E -B 186 0B 50 153,-2.4 153,-1.0 0, 0.0 2,-0.4 -0.689 38.4 -86.3-128.3-174.6 8.0 13.5 19.3 34 21 H D E -B 185 0B 96 -2,-0.2 151,-0.2 151,-0.2 150,-0.1 -0.780 49.0-118.2-102.2 131.8 6.9 12.4 15.7 35 22 H A - 0 0 7 149,-2.3 2,-0.3 -2,-0.4 3,-0.0 -0.378 26.5-123.5 -65.0 162.9 3.2 11.4 15.8 36 23 H E > - 0 0 68 1,-0.1 3,-2.3 149,-0.0 4,-0.2 -0.822 39.2 -80.8-102.2 147.2 2.4 7.8 14.8 37 24 H I T 3 S- 0 0 91 -2,-0.3 -1,-0.1 1,-0.3 57,-0.1 -0.089 112.7 -1.0 -54.5 141.5 0.1 6.8 12.0 38 25 H G T 3 S+ 0 0 12 1,-0.1 -30,-0.3 2,-0.1 -1,-0.3 0.426 95.2 125.4 59.9 5.7 -3.6 7.0 12.9 39 26 H M S < S+ 0 0 3 -3,-2.3 -1,-0.1 1,-0.2 -2,-0.1 0.423 76.4 26.7 -66.1 -18.2 -2.7 8.1 16.4 40 27 H S > + 0 0 18 -4,-0.2 3,-1.5 102,-0.1 -1,-0.2 -0.289 63.0 168.2-153.3 74.2 -4.8 11.2 16.5 41 28 H P T 3 S+ 0 0 4 0, 0.0 103,-0.6 0, 0.0 51,-0.2 0.704 71.2 62.3 -63.9 -29.1 -7.8 11.3 14.2 42 29 H W T 3 S+ 0 0 3 101,-0.2 18,-3.2 103,-0.1 104,-0.2 0.325 77.0 116.0 -79.4 2.1 -9.6 14.4 15.5 43 30 H Q E < -J 59 0C 8 -3,-1.5 49,-0.7 16,-0.3 2,-0.4 -0.383 45.1-169.8 -71.7 142.2 -6.8 16.7 14.5 44 31 H V E -JK 58 91C 1 14,-1.5 14,-1.1 47,-0.1 2,-0.5 -0.961 17.5-144.3-138.3 141.7 -7.5 19.3 11.8 45 32 H M E -JK 57 90C 2 45,-1.9 45,-2.6 -2,-0.4 2,-0.6 -0.947 18.0-145.6-104.0 120.3 -5.1 21.5 10.0 46 33 H L E -JK 56 89C 1 10,-4.4 9,-2.5 -2,-0.5 10,-0.8 -0.875 21.2-150.2 -94.6 122.2 -6.7 24.9 9.3 47 34 H F E -JK 54 88C 12 41,-2.7 41,-2.1 -2,-0.6 2,-0.5 -0.843 14.2-141.5-104.1 126.3 -5.4 26.1 6.0 48 35 H R E > -JK 53 87C 80 5,-2.8 5,-2.0 -2,-0.6 39,-0.2 -0.650 15.7-153.4 -78.8 126.7 -4.9 29.7 4.8 49 36 H K E 5S+J 52 0C 77 37,-2.6 3,-0.4 -2,-0.5 -1,-0.2 0.765 71.4 58.0 -66.5 -39.5 -6.0 29.6 1.1 50 36AH S T 5S+ 0 0 84 1,-0.5 -1,-0.3 36,-0.4 2,-0.2 -0.806 115.0 19.0-152.9 122.8 -3.8 32.5 0.0 51 37 H P T 5S- 0 0 62 0, 0.0 -1,-0.5 0, 0.0 2,-0.4 0.474 109.0-118.3 -67.5 145.6 -1.0 32.6 0.3 52 38 H Q E 5 +J 49 0C 25 -3,-0.4 2,-0.3 -2,-0.2 -3,-0.2 -0.389 67.9 115.3 -60.6 115.7 -1.3 28.8 0.7 53 39 H E E < -J 48 0C 87 -5,-2.0 -5,-2.8 -2,-0.4 -3,-0.1 -0.937 64.8 -70.9-179.0 156.7 -0.0 28.2 4.2 54 40 H L E +J 47 0C 35 -2,-0.3 -7,-0.2 -7,-0.2 3,-0.1 -0.218 33.9 169.4 -64.6 138.4 -0.9 27.0 7.7 55 41 H L E - 0 0 17 -9,-2.5 174,-0.3 1,-0.4 2,-0.3 0.737 55.4 -48.3-106.7 -75.3 -3.1 28.9 10.1 56 42 H b E -J 46 0C 5 -10,-0.8 -10,-4.4 172,-0.1 -1,-0.4 -0.900 49.4 -86.9-158.8 177.3 -3.9 26.6 13.0 57 43 H G E +J 45 0C 6 172,-3.1 12,-0.4 -2,-0.3 2,-0.3 -0.252 34.5 175.6 -87.9 179.0 -5.1 23.2 14.4 58 44 H A E -J 44 0C 0 -14,-1.1 -14,-1.5 10,-0.1 2,-0.4 -0.821 22.8-126.3-169.3-177.2 -8.7 22.3 15.1 59 45 H S E -J 43 0C 0 -2,-0.3 8,-2.4 -16,-0.2 2,-0.5 -0.932 16.1-126.1-151.2 131.5 -10.3 19.1 16.3 60 46 H L B +M 66 0D 0 -18,-3.2 86,-1.7 -2,-0.4 6,-0.2 -0.758 31.2 171.4 -76.3 129.0 -13.1 17.1 14.7 61 47 H I - 0 0 23 4,-1.9 2,-0.2 -2,-0.5 5,-0.2 0.580 70.0 -10.9-113.0 -14.7 -15.7 16.8 17.4 62 48 H S S S- 0 0 29 3,-1.2 -1,-0.1 -3,-0.1 84,-0.1 -0.746 91.5 -72.9-156.4-160.7 -18.3 15.3 15.0 63 49 H D S S+ 0 0 60 -2,-0.2 74,-1.5 -3,-0.1 3,-0.1 0.311 126.8 15.1 -96.0 8.6 -18.9 14.8 11.2 64 50 H R S S+ 0 0 81 72,-0.2 69,-2.6 1,-0.2 2,-0.4 0.357 109.8 81.7-157.4 -6.4 -19.6 18.5 10.5 65 51 H W E - N 0 132D 12 67,-0.2 -4,-1.9 65,-0.0 -3,-1.2 -0.804 49.6-177.7-110.5 144.1 -18.4 20.5 13.5 66 52 H V E -MN 60 131D 0 65,-1.8 65,-2.2 -2,-0.4 2,-0.5 -0.986 14.3-145.1-131.6 141.9 -14.8 21.5 14.2 67 53 H L E + N 0 130D 0 -8,-2.4 63,-0.2 -2,-0.3 -8,-0.2 -0.952 27.4 155.0-121.4 125.7 -13.4 23.4 17.2 68 54 H T E - N 0 129D 0 61,-2.2 61,-2.1 -2,-0.5 2,-0.5 -0.601 48.1 -77.4-128.7-179.9 -10.6 25.9 17.0 69 55 H A > - 0 0 0 -12,-0.4 3,-1.6 59,-0.2 4,-0.2 -0.838 34.5-136.0 -90.3 126.2 -9.2 28.9 18.9 70 56 H A G >> S+ 0 0 0 -2,-0.5 3,-2.1 1,-0.3 4,-1.8 0.772 102.1 63.7 -49.5 -44.1 -11.1 32.2 18.3 71 57 H H G 34 S+ 0 0 7 1,-0.3 -1,-0.3 2,-0.2 158,-0.1 0.275 90.8 69.0 -70.7 14.1 -7.9 34.2 17.9 72 58 H b G <4 S+ 0 0 0 -3,-1.6 -1,-0.3 2,-0.0 -2,-0.2 0.580 111.2 31.9 -95.7 -25.3 -7.1 32.1 14.8 73 59 H L T <4 S+ 0 0 1 -3,-2.1 2,-0.4 1,-0.3 9,-0.4 0.867 131.4 21.9 -91.8 -64.5 -10.0 33.7 13.1 74 60 H L < + 0 0 46 -4,-1.8 -1,-0.3 7,-0.2 7,-0.2 -0.907 51.8 148.5-118.2 128.7 -10.0 37.2 14.6 75 60AH Y B >>> -P 80 0E 19 5,-2.1 3,-3.1 -2,-0.4 5,-0.8 -0.462 21.4-170.7-158.6 66.8 -7.2 39.2 16.3 76 60BH P T 345S+ 0 0 41 0, 0.0 3,-0.5 0, 0.0 5,-0.0 0.617 79.4 66.1 -33.1 -36.9 -7.8 42.8 15.6 77 60CH P T 345S+ 0 0 67 0, 0.0 44,-0.0 0, 0.0 43,-0.0 0.818 115.1 31.0 -66.1 -27.6 -4.5 44.0 17.0 78 60DH W T <45S- 0 0 156 -3,-3.1 3,-0.1 2,-0.1 -4,-0.0 0.364 117.5-114.4-106.3 2.7 -2.7 42.1 14.2 79 60EH D T <5 + 0 0 151 -4,-0.6 2,-0.5 -3,-0.5 -5,-0.0 0.903 59.5 158.9 66.1 44.6 -5.7 42.7 11.8 80 60FH K B < +P 75 0E 47 -5,-0.8 -5,-2.1 2,-0.0 -1,-0.3 -0.824 4.9 142.0 -95.0 133.9 -6.5 39.0 11.7 81 60GH N + 0 0 111 -2,-0.5 2,-0.3 -7,-0.2 -7,-0.2 -0.523 21.8 179.6-173.4 101.5 -10.1 38.5 10.6 82 60HH F - 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