==== 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 20-JAN-98 1A3B . COMPND 2 MOLECULE: ALPHA-THROMBIN (SMALL SUBUNIT); . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR E.SKORDALAKES,S.ELGENDY,G.DODSON,C.A.GOODWIN,D.GREEN,M.F.SCU . 289 4 4 3 1 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13090.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 172 59.5 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 . 76 26.3 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 1.4 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 . 21 7.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 30 10.4 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 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 . 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 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 1BL A 0 0 118 0, 0.0 146,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -54.4 15.2 19.7 15.3 2 1AL D > + 0 0 86 144,-0.0 3,-1.2 3,-0.0 145,-0.1 0.020 360.0 137.7-123.8 2.9 18.5 19.0 16.8 3 1 L a T 3 + 0 0 26 1,-0.2 143,-0.2 143,-0.1 3,-0.1 -0.176 58.9 20.8 -58.6 143.0 17.6 15.4 15.9 4 2 L G T 3 S+ 0 0 0 141,-2.6 238,-1.2 1,-0.2 2,-0.7 0.483 91.5 114.6 76.6 6.5 20.2 13.1 14.4 5 3 L L < - 0 0 39 -3,-1.2 -1,-0.2 140,-0.3 236,-0.1 -0.913 60.3-144.2-110.7 106.6 23.2 15.2 15.7 6 4 L R > > - 0 0 0 -2,-0.7 5,-2.4 1,-0.2 3,-1.7 -0.581 6.8-141.3 -72.0 133.2 25.2 13.2 18.2 7 5 L P T 3 5S+ 0 0 10 0, 0.0 -1,-0.2 0, 0.0 134,-0.1 0.853 103.6 44.6 -61.8 -34.9 26.7 15.3 21.1 8 6 L L T 3 5S+ 0 0 26 133,-0.4 31,-0.1 30,-0.3 -2,-0.1 0.459 130.0 16.8 -95.0 4.9 29.9 13.2 21.0 9 7 L F T X>>S+ 0 0 16 -3,-1.7 5,-2.9 29,-0.1 3,-0.9 0.381 129.5 25.2-134.4 -85.2 30.3 13.2 17.2 10 8 L E G >45S+ 0 0 31 1,-0.2 3,-0.7 3,-0.2 -5,-0.1 0.896 120.4 56.1 -56.7 -42.7 28.5 15.6 14.9 11 9 L K G 34> S+ 0 0 39 2,-0.1 3,-1.1 1,-0.1 4,-0.7 0.423 85.6 99.3-133.1 6.6 32.9 3.4 10.4 19 14CL E H 3> S+ 0 0 12 -3,-0.4 4,-1.8 1,-0.3 3,-0.4 0.782 78.9 66.6 -66.9 -21.3 30.5 6.2 9.3 20 14DL R H 3> S+ 0 0 139 -4,-0.4 4,-2.6 1,-0.2 -1,-0.3 0.841 91.9 62.1 -64.7 -33.2 32.8 6.7 6.3 21 14EL E H <4 S+ 0 0 49 -3,-1.1 4,-0.5 1,-0.2 -1,-0.2 0.849 104.5 47.7 -60.6 -37.1 31.8 3.3 5.1 22 14FL L H >X S+ 0 0 0 -4,-0.7 3,-1.3 -3,-0.4 4,-0.8 0.946 111.3 49.2 -67.9 -51.1 28.2 4.5 4.9 23 14GL L H >< S+ 0 0 90 -4,-1.8 3,-0.8 1,-0.3 -2,-0.2 0.869 106.9 56.0 -56.0 -41.5 29.1 7.7 3.0 24 14HL E T 3< S+ 0 0 135 -4,-2.6 -1,-0.3 1,-0.2 -2,-0.2 0.667 104.8 53.9 -68.6 -16.9 31.2 5.7 0.6 25 14IL S T <4 S+ 0 0 16 -3,-1.3 2,-1.7 -4,-0.5 -1,-0.2 0.639 85.4 86.5 -92.2 -18.4 28.1 3.6 -0.3 26 14JL Y << 0 0 24 -4,-0.8 -1,-0.1 -3,-0.8 135,-0.0 -0.637 360.0 360.0 -84.8 82.6 25.9 6.6 -1.1 27 14KL I 0 0 172 -2,-1.7 -1,-0.1 -3,-0.0 -2,-0.1 0.767 360.0 360.0 -98.0 360.0 27.0 6.9 -4.7 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 2,-0.5 0, 0.0 3,-0.3 0.000 360.0 360.0 360.0 134.4 24.2 -8.6 16.3 30 17 H V B +A 222 0A 10 192,-2.8 192,-1.3 1,-0.2 143,-0.1 -0.880 360.0 1.9-105.4 131.1 26.4 -11.1 14.5 31 18 H E S S+ 0 0 126 141,-0.5 -1,-0.2 -2,-0.5 189,-0.2 0.824 101.7 123.3 64.4 34.5 29.8 -10.2 13.1 32 19 H G - 0 0 29 -3,-0.3 2,-0.3 154,-0.1 154,-0.2 -0.077 54.0-124.0 -99.6-157.0 29.5 -6.7 14.4 33 20 H S E -B 185 0B 62 152,-1.9 152,-2.3 -2,-0.1 -3,-0.0 -0.968 35.4 -74.9-151.6 159.2 31.8 -4.7 16.7 34 21 H D E -B 184 0B 107 -2,-0.3 150,-0.2 150,-0.2 2,-0.1 -0.309 52.5-118.7 -57.5 136.3 31.6 -2.9 20.0 35 22 H A - 0 0 6 148,-3.1 2,-0.1 59,-0.1 -1,-0.1 -0.455 25.3-114.7 -75.9 150.2 29.9 0.5 19.6 36 23 H E > - 0 0 47 -2,-0.1 3,-1.9 1,-0.1 4,-0.3 -0.453 47.7 -79.0 -79.0 158.8 31.8 3.6 20.5 37 24 H I T 3 S+ 0 0 87 1,-0.3 -1,-0.1 -2,-0.1 57,-0.1 -0.455 117.0 1.3 -65.1 125.8 30.6 5.7 23.5 38 25 H G T 3 S+ 0 0 13 -2,-0.2 -30,-0.3 55,-0.1 -1,-0.3 0.681 91.6 130.9 69.6 22.9 27.6 7.8 22.5 39 26 H M S < S+ 0 0 8 -3,-1.9 -2,-0.1 1,-0.3 -33,-0.1 0.794 82.6 22.9 -73.4 -30.1 27.7 6.4 19.0 40 27 H S S > S+ 0 0 12 -4,-0.3 3,-2.1 1,-0.1 -1,-0.3 -0.602 71.6 167.0-134.9 70.0 24.0 5.6 19.0 41 28 H P T 3 S+ 0 0 1 0, 0.0 103,-1.6 0, 0.0 51,-0.2 0.600 75.4 60.0 -74.8 -2.9 22.5 8.0 21.6 42 29 H W T 3 S+ 0 0 3 101,-0.2 18,-2.0 103,-0.1 2,-0.1 0.438 78.1 123.8 -94.6 -1.1 19.0 7.3 20.5 43 30 H Q E < -J 59 0C 2 -3,-2.1 49,-1.0 16,-0.2 50,-0.4 -0.409 41.5-171.5 -64.4 131.1 19.4 3.6 21.4 44 31 H V E -JK 58 91C 0 14,-2.5 14,-1.5 47,-0.2 2,-0.5 -0.965 15.5-146.2-128.3 144.2 16.8 2.3 23.8 45 32 H M E -JK 57 90C 0 45,-2.3 45,-2.6 -2,-0.4 2,-0.7 -0.952 9.3-146.5-112.8 122.3 16.6 -1.0 25.7 46 33 H L E -JK 56 89C 6 10,-3.0 9,-3.5 -2,-0.5 10,-1.3 -0.813 25.0-168.5 -87.6 118.3 13.2 -2.5 26.4 47 34 H F E -JK 54 88C 0 41,-2.5 41,-1.6 -2,-0.7 2,-0.4 -0.950 18.7-136.7-121.1 127.2 13.5 -4.2 29.7 48 35 H R E > -JK 53 87C 82 5,-3.0 5,-1.3 -2,-0.5 39,-0.2 -0.649 13.3-143.5 -79.5 132.1 11.0 -6.6 31.3 49 36 H K T 5S+ 0 0 74 37,-2.2 3,-0.2 -2,-0.4 -1,-0.1 0.905 78.2 46.0 -64.3 -44.9 10.6 -5.9 35.0 50 37 H S T 5S+ 0 0 97 36,-0.4 -1,-0.3 1,-0.4 2,-0.2 -0.898 117.5 24.1-159.4 121.7 10.3 -9.6 36.1 51 37AH P T 5S- 0 0 75 0, 0.0 2,-0.8 0, 0.0 -1,-0.4 0.648 106.9-123.8 -69.5 147.7 11.9 -11.8 35.3 52 38 H Q T 5 + 0 0 37 -2,-0.2 2,-0.3 -3,-0.2 232,-0.3 -0.636 56.6 133.1 -73.6 111.1 14.5 -9.0 34.7 53 39 H E E < -J 48 0C 68 -5,-1.3 -5,-3.0 -2,-0.8 2,-0.4 -0.996 61.2 -94.7-156.9 160.3 15.5 -9.4 31.0 54 40 H L E +J 47 0C 35 -2,-0.3 -7,-0.2 -7,-0.2 3,-0.1 -0.645 34.5 177.7 -76.4 127.4 16.2 -7.6 27.8 55 41 H L E - 0 0 24 -9,-3.5 2,-0.3 -2,-0.4 -8,-0.2 0.849 55.1 -45.7 -97.6 -46.7 13.1 -7.8 25.6 56 42 H b E -J 46 0C 4 -10,-1.3 -10,-3.0 171,-0.1 -1,-0.4 -0.962 54.7 -87.8-170.4 178.5 14.2 -5.8 22.6 57 43 H G E +J 45 0C 2 171,-3.0 12,-0.4 -2,-0.3 2,-0.3 -0.458 40.0 170.4 -94.6 171.1 15.8 -2.7 21.2 58 44 H A E -J 44 0C 0 -14,-1.5 -14,-2.5 -2,-0.2 2,-0.3 -0.934 22.5-121.3-167.1 178.3 14.1 0.6 20.5 59 45 H S E -JL 43 67C 0 8,-2.4 8,-3.0 -2,-0.3 2,-0.6 -0.989 14.4-125.6-141.5 149.0 14.9 4.1 19.6 60 46 H L E + L 0 66C 0 -18,-2.0 86,-2.4 -2,-0.3 6,-0.2 -0.825 28.5 168.1 -94.4 118.9 14.3 7.6 21.0 61 47 H I S S- 0 0 24 4,-2.2 2,-0.3 -2,-0.6 5,-0.2 0.379 70.6 -5.2-113.7 1.8 12.6 10.0 18.6 62 48 H S S S- 0 0 34 3,-0.9 3,-0.3 85,-0.1 -1,-0.2 -0.942 88.9 -81.2-175.4 178.8 11.7 12.8 21.0 63 49 H D S S+ 0 0 75 -2,-0.3 74,-2.2 1,-0.2 3,-0.1 0.566 128.6 23.9 -77.7 -2.2 12.0 13.4 24.8 64 50 H R S S+ 0 0 55 72,-0.2 69,-2.5 1,-0.1 2,-0.4 0.329 108.3 78.5-143.0 9.1 8.8 11.4 25.4 65 51 H W E - M 0 132C 16 -3,-0.3 -4,-2.2 67,-0.2 -3,-0.9 -0.988 49.4-171.8-130.7 132.3 8.4 9.0 22.5 66 52 H V E -LM 60 131C 0 65,-2.1 65,-2.4 -2,-0.4 2,-0.4 -0.971 11.7-149.0-123.1 134.7 10.1 5.7 21.8 67 53 H L E +LM 59 130C 0 -8,-3.0 -8,-2.4 -2,-0.4 2,-0.3 -0.839 30.0 143.4-105.9 137.3 9.8 3.7 18.6 68 54 H T E - M 0 129C 0 61,-2.4 61,-2.2 -2,-0.4 2,-0.3 -0.907 51.3 -69.9-156.9-179.0 10.0 -0.1 18.4 69 55 H A > - 0 0 0 -12,-0.4 3,-1.4 -2,-0.3 4,-0.3 -0.674 33.7-135.7 -86.3 138.0 8.7 -3.2 16.7 70 56 H A G >> S+ 0 0 0 -2,-0.3 4,-2.9 1,-0.3 3,-2.0 0.842 103.5 62.7 -60.0 -38.1 5.1 -4.2 17.5 71 57 H H G 34 S+ 0 0 15 1,-0.3 -1,-0.3 2,-0.2 157,-0.0 0.602 90.9 68.7 -68.1 -10.0 6.0 -7.9 17.8 72 58 H b G <4 S+ 0 0 2 -3,-1.4 -1,-0.3 1,-0.1 -2,-0.2 0.688 116.6 23.7 -78.4 -19.4 8.2 -6.8 20.8 73 59 H L T <4 S+ 0 0 3 -3,-2.0 9,-2.0 -4,-0.3 2,-0.4 0.651 131.7 34.6-114.7 -32.5 5.0 -6.0 22.6 74 60 H L E < +P 81 0D 30 -4,-2.9 -1,-0.3 7,-0.2 7,-0.2 -0.934 55.3 137.6-139.3 112.8 2.4 -8.2 20.9 75 60AH Y E > > -P 80 0D 48 5,-3.1 3,-2.8 -2,-0.4 5,-1.5 -0.523 21.6-175.0-152.6 83.0 3.0 -11.7 19.5 76 60BH P G > 5S+ 0 0 46 0, 0.0 3,-1.8 0, 0.0 -1,-0.1 0.783 78.5 69.3 -55.0 -29.5 0.1 -14.1 20.2 77 60CH P G 3 5S+ 0 0 68 0, 0.0 44,-0.0 0, 0.0 0, 0.0 0.737 111.7 33.5 -57.2 -28.3 1.7 -17.1 18.7 78 60DH W G < 5S- 0 0 168 -3,-2.8 3,-0.1 2,-0.1 0, 0.0 0.165 119.5-109.3-114.3 11.3 4.3 -17.0 21.6 79 60EH D T < 5 + 0 0 157 -3,-1.8 2,-0.6 -4,-0.3 -5,-0.0 0.870 66.5 153.1 60.4 44.8 1.7 -15.7 24.1 80 60FH K E < +P 75 0D 42 -5,-1.5 -5,-3.1 2,-0.0 -1,-0.2 -0.930 5.7 139.8-108.0 120.3 3.3 -12.3 24.2 81 60GH N E -P 74 0D 123 -2,-0.6 -7,-0.2 -7,-0.2 2,-0.2 -0.491 27.9-171.3-160.3 76.7 1.1 -9.4 25.1 82 60HH F - 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