==== 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 18-JAN-94 1NRS . COMPND 2 MOLECULE: ALPHA-THROMBIN (SMALL SUBUNIT); . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR A.TULINSKY,I.I.MATHEWS . 292 5 4 3 1 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12738.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 182 62.3 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 . 81 27.7 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 . 1 0.3 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 . 17 5.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 35 12.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 29 9.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 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 1 0 1 2 0 0 0 0 0 0 0 1 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 5 1 3 3 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 ANTIPARALLEL BRIDGES PER LADDER . 1 0 0 0 0 1 0 0 0 1 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 0 132 0, 0.0 146,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -46.9 13.5 19.5 19.6 2 1AL D > + 0 0 62 144,-0.1 3,-1.5 3,-0.0 145,-0.1 0.108 360.0 155.1-130.8 26.9 9.9 18.6 19.1 3 1 L a T 3 + 0 0 28 1,-0.3 143,-0.2 143,-0.1 144,-0.1 -0.009 58.2 16.2 -56.6 145.5 10.8 15.0 19.9 4 2 L G T 3 S+ 0 0 0 141,-4.0 238,-1.3 237,-0.2 2,-0.6 0.477 90.9 118.2 61.2 14.5 8.1 12.6 21.2 5 3 L L < - 0 0 32 -3,-1.5 -1,-0.2 140,-0.3 236,-0.1 -0.929 61.0-141.3-108.9 112.8 5.2 15.0 20.2 6 4 L R > > - 0 0 0 -2,-0.6 3,-1.8 1,-0.2 5,-1.5 -0.638 5.2-143.9 -75.0 122.0 3.1 13.0 17.7 7 5 L P T 3 5S+ 0 0 17 0, 0.0 -1,-0.2 0, 0.0 134,-0.1 0.818 102.2 43.9 -49.7 -34.4 1.8 15.1 14.7 8 6 L L T 3 5S+ 0 0 31 133,-0.4 31,-0.1 30,-0.3 133,-0.0 0.559 130.1 15.7 -93.9 -4.6 -1.4 13.0 14.8 9 7 L F T X >S+ 0 0 14 -3,-1.8 5,-3.2 29,-0.1 3,-1.9 0.569 128.1 29.3-126.8 -81.3 -2.0 12.9 18.5 10 8 L E G > 5S+ 0 0 20 1,-0.3 3,-2.5 3,-0.3 -5,-0.1 0.876 118.0 56.8 -52.1 -53.7 -0.2 15.3 20.9 11 9 L K G 3 - 0 0 3 -2,-0.3 3,-0.6 23,-0.1 4,-0.5 -0.280 35.5 -96.6 -82.4 160.6 -4.7 7.2 21.3 17 14AL K T 3 S+ 0 0 139 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.687 116.0 24.3 -53.1 -27.9 -7.0 4.4 22.5 18 14BL T T >> S+ 0 0 29 2,-0.1 3,-0.8 1,-0.1 4,-0.7 0.300 84.4 100.5-128.6 11.6 -4.7 3.1 25.2 19 14CL E H X> S+ 0 0 8 -3,-0.6 4,-2.4 1,-0.2 3,-0.7 0.831 79.0 66.6 -62.3 -30.2 -2.3 5.8 26.3 20 14DL R H 3> S+ 0 0 157 -4,-0.5 4,-2.6 1,-0.2 -1,-0.2 0.853 92.6 60.9 -58.1 -24.7 -4.6 6.4 29.4 21 14EL E H <> S+ 0 0 50 -3,-0.8 4,-0.8 1,-0.2 -1,-0.2 0.888 109.0 42.7 -66.9 -42.7 -3.6 2.8 30.7 22 14FL L H XX S+ 0 0 0 -4,-0.7 4,-1.1 -3,-0.7 3,-0.6 0.923 113.7 50.2 -69.6 -51.1 0.0 3.9 30.8 23 14GL L H >< S+ 0 0 47 -4,-2.4 3,-0.6 1,-0.3 -2,-0.2 0.883 109.6 51.3 -61.0 -36.2 -0.8 7.3 32.4 24 14HL E H 3< S+ 0 0 133 -4,-2.6 -1,-0.3 1,-0.3 -2,-0.2 0.766 103.7 60.6 -70.3 -23.8 -2.9 5.7 35.1 25 14IL S H << S+ 0 0 17 -4,-0.8 2,-1.5 -3,-0.6 -1,-0.3 0.773 77.4 95.0 -81.4 -23.3 -0.1 3.4 35.9 26 14JL Y << 0 0 29 -4,-1.1 -1,-0.1 -3,-0.6 135,-0.1 -0.520 360.0 360.0 -66.6 89.7 2.3 6.2 36.8 27 14KL I 0 0 162 -2,-1.5 -1,-0.2 0, 0.0 134,-0.1 0.913 360.0 360.0 -96.2 360.0 1.7 6.2 40.6 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 2,-0.7 0, 0.0 3,-0.6 0.000 360.0 360.0 360.0 127.2 4.2 -9.1 19.4 30 17 H V B 3 -A 222 0A 12 192,-4.1 192,-1.5 1,-0.2 143,-0.1 -0.684 360.0 -1.7-105.0 116.0 2.3 -11.7 21.4 31 18 H E T 3 S+ 0 0 126 -2,-0.7 -1,-0.2 141,-0.6 189,-0.2 0.850 101.9 133.2 78.0 31.2 -1.2 -10.8 22.5 32 19 H G < - 0 0 22 -3,-0.6 2,-0.3 190,-0.1 154,-0.2 0.240 49.7-120.2 -80.5-154.2 -1.0 -7.2 21.1 33 20 H S E -B 185 0B 60 152,-0.9 152,-3.9 3,-0.0 2,-0.2 -0.969 36.0 -87.3-156.7 155.7 -3.3 -5.1 18.9 34 21 H D E -B 184 0B 99 -2,-0.3 150,-0.3 150,-0.3 149,-0.1 -0.564 51.6-114.8 -65.6 125.3 -2.9 -3.5 15.6 35 22 H A - 0 0 8 148,-4.8 2,-0.2 -2,-0.2 -1,-0.1 -0.241 26.3-118.2 -64.0 163.2 -1.3 -0.1 16.0 36 23 H E > - 0 0 60 1,-0.1 3,-1.8 -3,-0.1 4,-0.3 -0.585 48.3 -78.4 -90.8 157.4 -3.5 3.0 15.0 37 24 H I T 3 S+ 0 0 84 1,-0.3 -1,-0.1 -2,-0.2 57,-0.1 -0.342 116.1 4.5 -64.5 134.1 -2.1 5.2 12.2 38 25 H G T 3 S+ 0 0 11 -2,-0.2 -30,-0.3 2,-0.1 -1,-0.3 0.743 88.8 127.6 66.9 25.5 0.7 7.5 13.3 39 26 H M S < S+ 0 0 6 -3,-1.8 -2,-0.1 1,-0.3 -23,-0.1 0.785 83.9 22.3 -80.5 -28.1 0.7 6.0 16.9 40 27 H S > + 0 0 13 -4,-0.3 3,-1.9 102,-0.1 -1,-0.3 -0.678 67.3 166.6-138.7 66.9 4.6 5.3 16.7 41 28 H P T 3 S+ 0 0 3 0, 0.0 103,-2.9 0, 0.0 99,-0.1 0.322 75.8 58.9 -67.9 -4.4 6.0 7.5 14.1 42 29 H W T 3 S+ 0 0 2 101,-0.2 18,-1.8 103,-0.1 104,-0.1 0.445 77.4 114.9 -97.6 -15.2 9.6 6.8 15.3 43 30 H Q E < -L 59 0C 4 -3,-1.9 49,-0.8 16,-0.2 50,-0.4 -0.379 47.1-172.7 -57.3 135.2 9.2 3.0 14.7 44 31 H V E -LM 58 91C 0 14,-2.0 14,-1.0 47,-0.2 2,-0.4 -0.956 17.9-135.7-126.6 139.5 11.6 1.9 11.8 45 32 H M E -LM 57 90C 0 45,-3.1 45,-2.2 -2,-0.4 2,-0.7 -0.874 12.0-140.5 -95.1 138.4 11.9 -1.6 10.0 46 33 H L E -LM 56 89C 0 10,-3.4 9,-4.3 -2,-0.4 10,-0.6 -0.869 30.4-156.4 -94.7 118.3 15.4 -3.1 9.4 47 34 H F E -LM 54 88C 0 41,-3.4 41,-1.0 -2,-0.7 2,-0.4 -0.886 14.3-131.1-117.1 125.1 15.0 -4.5 5.9 48 35 H R E > -LM 53 87C 66 5,-5.1 5,-0.8 -2,-0.6 39,-0.2 -0.505 9.8-155.3 -68.2 120.8 17.0 -7.3 4.3 49 36 H K E 5S+L 52 0C 69 37,-1.8 3,-0.4 -2,-0.4 -1,-0.1 0.941 77.3 35.0 -65.0 -47.4 18.2 -6.3 0.8 50 36AH S T 5S+ 0 0 100 1,-0.5 -1,-0.2 36,-0.3 2,-0.2 -0.901 126.6 25.0-162.9 124.8 18.4 -10.0 -0.4 51 37 H P T 5S- 0 0 74 0, 0.0 -1,-0.5 0, 0.0 -3,-0.0 0.508 108.9-129.2 -57.4 135.3 16.6 -12.1 0.3 52 38 H Q E 5 +L 49 0C 81 -3,-0.4 -3,-0.2 -2,-0.2 2,-0.2 -0.560 53.9 147.5 -51.3 136.9 14.6 -9.0 0.8 53 39 H E E < -L 48 0C 79 -5,-0.8 -5,-5.1 -3,-0.1 2,-0.2 -0.805 55.9 -94.9 174.8 143.2 13.3 -9.7 4.4 54 40 H L E +L 47 0C 36 -7,-0.2 -7,-0.2 -2,-0.2 3,-0.1 -0.500 38.2 173.9 -61.5 120.9 12.3 -8.1 7.8 55 41 H L E - 0 0 27 -9,-4.3 2,-0.3 1,-0.4 171,-0.2 0.862 53.1 -47.3-101.5 -53.4 15.3 -8.2 10.0 56 42 H b E -L 46 0C 6 -10,-0.6 -10,-3.4 171,-0.1 -1,-0.4 -0.910 54.8 -91.3-164.9 178.0 14.2 -6.3 13.2 57 43 H G E +L 45 0C 2 171,-2.4 12,-0.3 -2,-0.3 2,-0.3 -0.422 40.9 175.0 -92.9 172.5 12.5 -3.0 14.5 58 44 H A E -L 44 0C 0 -14,-1.0 -14,-2.0 -2,-0.2 2,-0.4 -0.816 21.4-122.9-163.2-179.9 14.7 0.1 15.2 59 45 H S E -LN 43 67C 0 8,-1.3 8,-2.2 -2,-0.3 2,-0.7 -0.987 12.3-122.4-142.7 153.6 13.7 3.7 16.2 60 46 H L E + N 0 66C 0 -18,-1.8 86,-2.4 -2,-0.4 6,-0.2 -0.796 30.4 167.7 -97.2 119.9 14.3 7.1 14.8 61 47 H I S S- 0 0 23 4,-1.7 2,-0.2 -2,-0.7 5,-0.2 0.665 71.5 -4.1-104.0 -12.9 16.1 9.5 17.4 62 48 H S S S- 0 0 36 3,-1.1 -1,-0.2 82,-0.1 75,-0.1 -0.868 89.1 -81.9-159.3-179.0 17.0 12.3 14.9 63 49 H D S S+ 0 0 71 -2,-0.2 74,-1.6 1,-0.2 3,-0.1 0.647 130.1 26.9 -77.9 1.5 16.7 13.0 11.1 64 50 H R S S+ 0 0 67 72,-0.2 69,-3.3 1,-0.1 2,-0.4 0.549 107.7 77.9-133.2 -4.6 19.9 11.0 10.6 65 51 H W E - O 0 132C 11 67,-0.2 -4,-1.7 65,-0.0 -3,-1.1 -0.914 45.0-175.0-121.7 140.7 20.1 8.4 13.5 66 52 H V E -NO 60 131C 0 65,-1.9 65,-2.6 -2,-0.4 2,-0.4 -0.988 11.6-151.9-129.7 138.7 18.5 5.1 14.2 67 53 H L E +NO 59 130C 0 -8,-2.2 -8,-1.3 -2,-0.3 2,-0.2 -0.891 27.3 149.4-109.2 136.6 18.9 3.0 17.4 68 54 H T E - O 0 129C 0 61,-2.5 61,-1.6 -2,-0.4 2,-0.4 -0.824 52.0 -72.3-154.6-174.0 18.6 -0.8 17.3 69 55 H A >> - 0 0 0 -12,-0.3 3,-2.3 -2,-0.2 4,-0.5 -0.709 35.9-132.3 -90.0 135.0 19.9 -3.9 19.2 70 56 H A H >> S+ 0 0 0 -2,-0.4 3,-2.0 1,-0.3 4,-1.6 0.893 104.2 69.9 -59.3 -32.0 23.6 -4.7 18.4 71 57 H H H 34 S+ 0 0 6 1,-0.3 -1,-0.3 2,-0.2 9,-0.1 0.495 85.8 63.3 -75.8 3.8 22.4 -8.3 18.0 72 58 H b H <4 S+ 0 0 1 -3,-2.3 -1,-0.3 2,-0.1 10,-0.2 0.698 116.6 31.7 -86.2 -20.0 20.3 -7.5 14.7 73 59 H L H << S+ 0 0 2 -3,-2.0 9,-1.8 -4,-0.5 2,-0.5 0.906 128.3 28.0 -93.7 -65.4 23.7 -6.6 13.0 74 60 H L E < +R 81 0D 44 -4,-1.6 -1,-0.3 7,-0.2 7,-0.2 -0.895 56.6 146.6-109.3 110.6 26.3 -8.9 14.6 75 60AH Y E > > -R 80 0D 25 5,-2.6 3,-2.4 -2,-0.5 5,-1.9 -0.605 21.0-172.5-142.1 79.8 25.6 -12.3 16.1 76 60BH P G > 5S+ 0 0 43 0, 0.0 3,-2.1 0, 0.0 -1,-0.1 0.754 80.1 58.7 -49.9 -39.3 28.6 -14.7 15.6 77 60CH P G 3 5S+ 0 0 73 0, 0.0 44,-0.0 0, 0.0 0, 0.0 0.568 112.9 41.3 -65.5 -17.1 27.0 -17.9 16.8 78 60DH W G < 5S- 0 0 136 -3,-2.4 3,-0.1 2,-0.1 0, 0.0 0.237 115.9-117.3-112.3 11.4 24.3 -17.6 14.1 79 60EH D T < 5 + 0 0 152 -3,-2.1 2,-0.3 1,-0.2 -5,-0.0 0.411 64.2 151.1 64.1 11.5 26.9 -16.4 11.7 80 60FH K E < +R 75 0D 51 -5,-1.9 -5,-2.6 -9,-0.1 -1,-0.2 -0.484 5.1 146.0 -84.4 128.1 25.1 -13.0 11.4 81 60GH N E -R 74 0D 110 -2,-0.3 -7,-0.2 -7,-0.2 -8,-0.1 -0.061 24.3-170.9-159.3 68.2 27.3 -10.0 10.6 82 60HH F - 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