==== 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 05-MAR-98 1A61 . COMPND 2 MOLECULE: ALPHA-THROMBIN (SMALL SUBUNIT); . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR R.ST CHARLES,J.H.MATTHEWS,E.ZHANG,A.TULINSKY,M.KAHN . 288 5 4 3 1 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12593.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 175 60.8 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 . 81 28.1 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 . 2 0.7 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 . 18 6.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 33 11.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 25 8.7 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 0 2 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 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 . 4 4 1 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 1BL A 0 0 128 0, 0.0 146,-0.0 0, 0.0 61,-0.0 0.000 360.0 360.0 360.0-117.5 13.7 19.3 19.7 2 1AL D > + 0 0 73 144,-0.0 3,-1.2 3,-0.0 145,-0.1 -0.077 360.0 159.0-100.8 21.6 10.1 18.6 18.8 3 1 L a T 3 + 0 0 25 1,-0.2 143,-0.2 143,-0.1 144,-0.1 -0.038 54.0 5.2 -57.1 148.3 10.7 15.0 20.0 4 2 L G T 3 S+ 0 0 0 141,-2.3 236,-0.8 235,-0.2 2,-0.6 0.567 89.6 119.1 56.5 23.5 8.0 12.6 21.1 5 3 L L < - 0 0 31 -3,-1.2 -1,-0.1 140,-0.2 234,-0.1 -0.988 61.1-138.3-115.3 102.5 5.0 14.9 20.2 6 4 L R > > - 0 0 0 -2,-0.6 3,-2.0 1,-0.1 5,-1.7 -0.672 5.3-137.6 -65.0 131.1 3.1 13.0 17.6 7 5 L P T 3 5S+ 0 0 19 0, 0.0 5,-0.1 0, 0.0 134,-0.1 0.908 104.5 39.1 -58.8 -27.3 1.7 14.9 14.6 8 6 L L T 3 5S+ 0 0 32 133,-0.6 31,-0.1 30,-0.3 29,-0.0 0.409 129.9 22.5-101.0 -1.6 -1.7 13.0 14.8 9 7 L F T X >S+ 0 0 14 -3,-2.0 5,-2.8 29,-0.1 3,-0.8 0.559 125.7 25.3-125.0 -84.0 -2.1 12.9 18.5 10 8 L E G > 5S+ 0 0 27 1,-0.2 3,-1.4 3,-0.2 -2,-0.1 0.880 120.1 55.2 -55.8 -51.4 -0.3 15.3 20.9 11 9 L K G 3 > S+ 0 0 33 2,-0.1 3,-1.5 1,-0.1 4,-0.9 0.391 86.3 100.5-130.6 4.1 -4.7 2.9 25.4 19 14CL E H >> S+ 0 0 8 -3,-0.4 4,-1.6 1,-0.3 3,-0.8 0.884 77.4 62.2 -61.3 -31.6 -2.4 5.8 26.4 20 14DL R H 3> S+ 0 0 149 -4,-0.5 4,-1.3 1,-0.3 -1,-0.3 0.676 94.7 62.1 -61.1 -27.4 -4.5 6.4 29.6 21 14EL E H <4 S+ 0 0 31 -3,-1.5 4,-0.3 2,-0.2 -1,-0.3 0.890 106.6 46.8 -61.1 -49.9 -3.6 2.9 30.8 22 14FL L H X< S+ 0 0 0 -4,-0.9 3,-2.4 -3,-0.8 141,-0.5 0.967 113.6 44.7 -49.7 -68.0 -0.0 4.0 30.9 23 14GL L H 3< S+ 0 0 49 -4,-1.6 3,-0.4 1,-0.3 -1,-0.2 0.661 108.2 58.7 -56.5 -33.3 -0.6 7.4 32.6 24 14HL E T 3< S+ 0 0 93 -4,-1.3 -1,-0.3 -5,-0.3 -2,-0.2 0.579 100.1 57.7 -67.5 -26.1 -2.9 5.8 35.2 25 14IL S S < S+ 0 0 18 -3,-2.4 2,-1.7 -4,-0.3 -2,-0.2 0.479 80.8 84.6 -84.9 -7.9 -0.1 3.5 36.2 26 14JL Y 0 0 19 -3,-0.4 -1,-0.2 -4,-0.4 -3,-0.1 -0.480 360.0 360.0 -91.1 56.9 2.2 6.4 37.1 27 14KL I 0 0 174 -2,-1.7 -1,-0.3 -3,-0.1 134,-0.0 0.241 360.0 360.0 10.1 360.0 0.3 6.3 40.4 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,-0.4 0, 0.0 3,-0.3 0.000 360.0 360.0 360.0 133.9 3.9 -9.1 19.9 30 17 H V B -A 220 0A 10 190,-2.2 190,-0.7 1,-0.2 143,-0.1 -0.904 360.0 -1.3-110.5 128.8 1.7 -11.6 21.7 31 18 H E S S+ 0 0 126 141,-0.4 -1,-0.2 -2,-0.4 187,-0.1 0.869 103.7 121.7 67.4 24.5 -1.8 -10.6 23.0 32 19 H G - 0 0 30 -3,-0.3 2,-0.3 152,-0.1 152,-0.2 0.054 53.9-126.3 -94.7-142.7 -1.3 -7.1 21.7 33 20 H S E -B 183 0B 60 150,-1.2 150,-1.8 -2,-0.1 2,-0.3 -0.944 33.1 -73.4-167.4 158.5 -3.5 -5.2 19.1 34 21 H D E -B 182 0B 104 -2,-0.3 148,-0.3 148,-0.2 147,-0.1 -0.584 51.3-121.5 -57.9 142.2 -3.1 -3.3 15.8 35 22 H A - 0 0 7 146,-3.3 2,-0.1 -2,-0.3 3,-0.1 -0.395 24.5-114.4 -77.5 164.5 -1.5 0.1 16.3 36 23 H E > - 0 0 65 1,-0.1 3,-1.6 -2,-0.0 2,-0.3 -0.386 48.3 -83.0 -85.7 167.0 -3.5 3.2 15.1 37 24 H I T 3 S+ 0 0 95 1,-0.3 -1,-0.1 -2,-0.1 57,-0.1 -0.540 117.4 10.8 -81.5 143.6 -2.0 5.1 12.2 38 25 H G T 3 S+ 0 0 12 -2,-0.3 -1,-0.3 104,-0.1 -30,-0.3 0.609 89.4 124.4 62.8 17.5 0.7 7.5 13.4 39 26 H M S < S+ 0 0 6 -3,-1.6 -2,-0.1 1,-0.3 -23,-0.1 0.666 85.7 22.5 -70.7 -32.9 0.7 5.9 17.0 40 27 H S > + 0 0 13 -4,-0.3 3,-2.1 102,-0.1 -1,-0.3 -0.548 68.7 168.1-134.2 78.9 4.5 5.2 16.8 41 28 H P T 3 S+ 0 0 2 0, 0.0 103,-1.9 0, 0.0 99,-0.1 0.386 76.4 59.4 -73.0 -7.9 6.0 7.5 14.2 42 29 H W T 3 S+ 0 0 2 101,-0.2 18,-3.2 103,-0.1 2,-0.2 0.425 76.1 118.9 -98.0 -0.8 9.6 6.6 15.4 43 30 H Q E < -J 59 0C 3 -3,-2.1 49,-0.9 16,-0.2 50,-0.3 -0.486 45.1-170.7 -72.9 119.0 9.1 2.9 14.6 44 31 H V E -JK 58 91C 0 14,-2.4 14,-1.1 -2,-0.2 2,-0.5 -0.844 17.3-137.0-109.8 151.8 11.6 1.8 11.9 45 32 H M E -JK 57 90C 0 45,-1.5 45,-2.0 -2,-0.3 2,-0.7 -0.964 10.5-145.8-112.7 121.9 11.8 -1.5 10.0 46 33 H L E -JK 56 89C 0 10,-3.7 9,-2.6 -2,-0.5 10,-0.6 -0.860 27.9-167.1 -83.6 122.0 15.3 -3.1 9.6 47 34 H F E -JK 54 88C 0 41,-4.6 41,-1.8 -2,-0.7 2,-0.4 -0.899 18.2-138.1-122.8 125.8 15.0 -4.7 6.2 48 35 H R E > -JK 53 87C 75 5,-4.6 5,-1.3 -2,-0.5 39,-0.2 -0.622 8.6-150.7 -77.9 133.4 17.4 -7.2 4.5 49 36 H K T 5S+ 0 0 48 37,-1.2 3,-0.2 -2,-0.4 -1,-0.1 0.826 78.1 51.7 -66.3 -36.1 18.0 -6.5 0.9 50 36AH S T 5S+ 0 0 98 1,-0.5 -1,-0.2 36,-0.4 2,-0.2 -0.774 122.4 17.0-159.9 105.1 18.6 -10.1 -0.2 51 37 H P T 5S- 0 0 80 0, 0.0 -1,-0.5 0, 0.0 2,-0.2 0.598 106.8-120.8 -66.8 158.0 16.6 -12.1 0.6 52 38 H Q T 5 + 0 0 66 -3,-0.2 2,-0.3 -2,-0.2 -3,-0.2 -0.558 58.6 136.3 -69.3 132.2 14.1 -9.3 1.2 53 39 H E E < -J 48 0C 61 -5,-1.3 -5,-4.6 -2,-0.2 2,-0.7 -0.849 61.0 -95.3-178.7 147.2 13.1 -9.7 4.8 54 40 H L E -J 47 0C 34 -2,-0.3 -7,-0.2 -7,-0.2 3,-0.1 -0.721 32.4-179.3 -70.4 109.5 12.5 -8.0 8.2 55 41 H L E - 0 0 26 -9,-2.6 2,-0.3 -2,-0.7 -1,-0.2 0.983 59.0 -55.6 -69.1 -60.2 15.6 -8.1 10.3 56 42 H b E -J 46 0C 4 -10,-0.6 -10,-3.7 169,-0.1 -1,-0.3 -0.913 55.4 -85.7-159.3-168.0 14.3 -6.4 13.3 57 43 H G E +J 45 0C 2 169,-2.4 12,-0.3 -2,-0.3 2,-0.3 -0.278 42.9 167.9-100.8 176.9 12.5 -3.2 14.5 58 44 H A E -J 44 0C 0 -14,-1.1 -14,-2.4 10,-0.1 2,-0.4 -0.964 23.9-109.3-170.4-173.4 14.3 -0.0 15.5 59 45 H S E -JL 43 67C 0 8,-2.6 8,-3.2 -2,-0.3 2,-0.5 -0.988 11.0-127.4-146.3 151.9 13.6 3.6 16.3 60 46 H L E + L 0 66C 0 -18,-3.2 86,-2.5 -2,-0.4 6,-0.2 -0.630 29.7 163.5 -90.8 116.8 14.1 7.1 14.9 61 47 H I E S- 0 0 20 4,-1.9 2,-0.3 -2,-0.5 -1,-0.1 0.525 71.7 -1.9-110.2 -22.1 15.7 9.5 17.4 62 48 H S E > S- L 0 65C 35 3,-1.1 3,-0.7 85,-0.1 -1,-0.4 -0.903 89.2 -85.7-155.0 174.7 16.7 12.3 14.9 63 49 H D T 3 S+ 0 0 57 -2,-0.3 74,-2.4 1,-0.2 3,-0.1 0.453 127.3 27.3 -76.2 17.1 16.4 12.8 11.2 64 50 H R T 3 S+ 0 0 47 72,-0.2 69,-3.7 1,-0.1 2,-0.4 0.470 108.1 76.0-148.7 -5.8 19.7 10.9 10.6 65 51 H W E < -LM 62 132C 9 -3,-0.7 -4,-1.9 67,-0.2 -3,-1.1 -0.909 50.3-169.9-125.0 133.1 20.1 8.5 13.5 66 52 H V E -LM 60 131C 0 65,-1.8 65,-1.4 -2,-0.4 2,-0.5 -0.982 13.7-144.5-117.5 135.6 18.3 5.2 14.2 67 53 H L E +LM 59 130C 0 -8,-3.2 -8,-2.6 -2,-0.4 2,-0.2 -0.887 32.0 152.9-101.4 129.3 18.5 3.2 17.5 68 54 H T E - M 0 129C 0 61,-2.3 61,-1.6 -2,-0.5 2,-0.3 -0.795 48.7 -84.9-137.2-172.1 18.5 -0.6 17.4 69 55 H A > - 0 0 0 -12,-0.3 3,-1.1 59,-0.3 59,-0.3 -0.752 33.0-135.6 -93.4 129.1 19.8 -3.7 19.4 70 56 H A G >> S+ 0 0 0 -2,-0.3 4,-2.7 1,-0.2 3,-2.2 0.865 102.0 65.1 -62.2 -33.3 23.4 -4.6 18.5 71 57 H H G 34 S+ 0 0 2 1,-0.3 -1,-0.2 2,-0.2 9,-0.1 0.798 90.1 67.8 -63.7 -12.8 22.5 -8.4 18.3 72 58 H b G <4 S+ 0 0 0 -3,-1.1 -1,-0.3 1,-0.1 -2,-0.2 0.705 114.3 27.4 -73.7 -30.0 20.3 -7.5 15.2 73 59 H L T <4 S+ 0 0 1 -3,-2.2 9,-1.9 -4,-0.2 2,-0.5 0.703 130.2 34.2 -99.5 -37.6 23.5 -6.6 13.3 74 60 H L E < +P 81 0D 41 -4,-2.7 7,-0.2 7,-0.2 -1,-0.2 -0.970 56.8 138.0-132.6 116.5 26.1 -8.8 15.0 75 60AH Y E > > -P 80 0D 21 5,-4.0 5,-2.4 -2,-0.5 3,-2.1 -0.455 22.0-173.8-155.9 85.5 25.6 -12.3 16.4 76 60BH P G > 5S+ 0 0 47 0, 0.0 3,-2.3 0, 0.0 5,-0.1 0.798 79.1 65.5 -54.7 -37.2 28.4 -14.8 15.7 77 60CH P G 3 5S+ 0 0 70 0, 0.0 44,-0.0 0, 0.0 43,-0.0 0.722 112.6 35.5 -56.5 -31.7 26.7 -17.9 17.1 78 60DH W G < 5S- 0 0 136 -3,-2.1 3,-0.1 2,-0.1 0, 0.0 0.061 117.8-114.1-102.3 4.9 24.0 -17.6 14.4 79 60EH D T < 5 + 0 0 152 -3,-2.3 2,-0.6 1,-0.2 -5,-0.0 0.723 64.7 152.2 62.7 39.3 26.5 -16.4 12.0 80 60FH K E < +P 75 0D 36 -5,-2.4 -5,-4.0 1,-0.1 -1,-0.2 -0.837 3.4 147.4-106.3 117.2 24.8 -13.0 11.8 81 60GH N E -P 74 0D 118 -2,-0.6 2,-0.3 -7,-0.2 -7,-0.2 -0.316 24.4-171.1-145.6 74.3 27.2 -10.2 10.9 82 60HH F - 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