==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=8-APR-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER BLOOD COAGULATION/HYDROLASE INHIBITOR 30-APR-97 1AIX . COMPND 2 MOLECULE: ALPHA-THROMBIN (SMALL SUBUNIT); . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR E.SKORDALAKES,G.DODSON,S.ELGENDY,C.A.GOODWIN,D.GREEN,R.TYRRE . 288 4 4 3 1 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12996.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 176 61.1 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 26.4 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 . 22 7.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 32 11.1 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 1 0 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 . 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 0 119 0, 0.0 146,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -64.6 13.4 19.7 19.9 2 1AL D > + 0 0 78 144,-0.0 3,-1.3 3,-0.0 145,-0.1 0.057 360.0 141.3-117.5 7.8 10.0 18.9 18.7 3 1 L a T 3 + 0 0 25 1,-0.2 143,-0.2 143,-0.1 3,-0.1 -0.159 59.0 19.7 -56.3 142.3 11.0 15.4 19.5 4 2 L G T 3 S+ 0 0 0 141,-2.7 238,-1.3 237,-0.2 2,-0.7 0.483 93.7 113.4 74.9 6.6 8.4 13.0 21.0 5 3 L L < - 0 0 40 -3,-1.3 -1,-0.2 140,-0.4 236,-0.1 -0.918 61.3-141.9-112.0 108.7 5.5 15.2 19.9 6 4 L R > > - 0 0 0 -2,-0.7 5,-2.2 1,-0.1 3,-2.0 -0.581 7.4-141.4 -75.6 134.2 3.4 13.3 17.2 7 5 L P T 3 5S+ 0 0 10 0, 0.0 -1,-0.1 0, 0.0 134,-0.1 0.873 104.6 41.2 -59.0 -37.3 1.9 15.3 14.3 8 6 L L T 3 5S+ 0 0 27 133,-0.5 31,-0.1 30,-0.3 -2,-0.1 0.464 130.1 19.9 -97.7 6.5 -1.3 13.3 14.5 9 7 L F T X>>S+ 0 0 16 -3,-2.0 5,-2.7 29,-0.1 3,-1.1 0.387 128.9 22.4-130.7 -87.6 -1.6 13.1 18.2 10 8 L E G >45S+ 0 0 31 1,-0.3 3,-1.2 3,-0.2 -5,-0.1 0.895 121.0 56.4 -55.1 -43.6 0.1 15.6 20.6 11 9 L K G 34 - 0 0 6 -2,-0.4 3,-0.6 1,-0.1 4,-0.4 -0.385 37.1 -99.6 -77.6 166.4 -4.3 7.5 21.0 17 14AL K T 3 S+ 0 0 170 1,-0.2 -1,-0.1 2,-0.1 4,-0.1 0.604 113.7 25.5 -67.9 -14.9 -6.5 4.7 22.3 18 14BL T T >> S+ 0 0 42 2,-0.1 4,-0.9 1,-0.1 3,-0.8 0.423 85.2 100.4-132.1 8.4 -4.2 3.4 24.9 19 14CL E H X> S+ 0 0 13 -3,-0.6 4,-2.1 1,-0.2 3,-0.8 0.901 80.1 62.8 -64.5 -32.5 -1.8 6.2 26.0 20 14DL R H 3> S+ 0 0 141 -4,-0.4 4,-3.2 1,-0.3 -1,-0.2 0.858 93.3 62.9 -57.5 -36.4 -4.0 6.8 29.2 21 14EL E H <> S+ 0 0 49 -3,-0.8 4,-0.6 2,-0.2 -1,-0.3 0.906 106.2 46.1 -55.8 -39.9 -3.1 3.2 30.3 22 14FL L H XX S+ 0 0 0 -4,-0.9 3,-1.3 -3,-0.8 4,-0.7 0.967 112.5 47.8 -65.3 -54.6 0.5 4.5 30.5 23 14GL L H >< S+ 0 0 90 -4,-2.1 3,-1.4 1,-0.3 -2,-0.2 0.890 107.9 56.2 -53.9 -43.5 -0.4 7.7 32.3 24 14HL E H 3< S+ 0 0 135 -4,-3.2 -1,-0.3 1,-0.3 -2,-0.2 0.738 104.8 53.7 -66.1 -18.9 -2.6 5.8 34.8 25 14IL S H << S+ 0 0 17 -3,-1.3 2,-1.3 -4,-0.6 -1,-0.3 0.586 87.5 86.8 -90.6 -11.5 0.5 3.6 35.6 26 14JL Y << 0 0 22 -3,-1.4 -1,-0.1 -4,-0.7 135,-0.0 -0.660 360.0 360.0 -91.6 86.5 2.7 6.7 36.4 27 14KL I 0 0 164 -2,-1.3 -1,-0.1 -3,-0.0 -2,-0.1 0.643 360.0 360.0 -98.4 360.0 1.9 7.3 40.1 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,-0.4 0.000 360.0 360.0 360.0 126.6 4.5 -8.6 19.1 30 17 H V B +A 222 0A 11 192,-2.9 192,-1.3 1,-0.2 143,-0.1 -0.861 360.0 0.9 -99.8 132.8 2.4 -11.2 20.8 31 18 H E S S+ 0 0 127 141,-0.5 -1,-0.2 -2,-0.5 189,-0.2 0.806 100.8 126.8 62.6 33.8 -1.0 -10.2 22.2 32 19 H G - 0 0 28 -3,-0.4 2,-0.3 154,-0.1 154,-0.2 -0.089 53.5-121.6 -96.4-159.7 -0.7 -6.6 21.0 33 20 H S E -B 185 0B 62 152,-2.2 152,-2.6 -2,-0.1 2,-0.0 -0.960 35.8 -79.4-145.2 157.5 -3.1 -4.7 18.8 34 21 H D E -B 184 0B 105 -2,-0.3 150,-0.2 150,-0.2 149,-0.1 -0.334 52.1-116.9 -58.1 137.2 -2.8 -2.9 15.5 35 22 H A - 0 0 6 148,-3.4 2,-0.2 59,-0.1 -1,-0.1 -0.431 26.2-115.7 -74.1 151.9 -1.1 0.5 15.7 36 23 H E > - 0 0 48 1,-0.1 3,-2.0 -2,-0.1 4,-0.3 -0.495 46.5 -79.2 -81.6 158.0 -3.1 3.6 14.9 37 24 H I T 3 S+ 0 0 91 1,-0.3 -1,-0.1 -2,-0.2 57,-0.1 -0.446 117.6 1.4 -62.7 123.9 -2.0 5.7 11.9 38 25 H G T 3 S+ 0 0 12 -2,-0.2 -30,-0.3 55,-0.1 -1,-0.3 0.624 91.8 130.5 72.4 18.5 1.0 7.9 12.9 39 26 H M S < S+ 0 0 6 -3,-2.0 -2,-0.1 1,-0.3 -33,-0.1 0.792 82.6 21.5 -70.3 -29.8 0.9 6.3 16.4 40 27 H S S > S+ 0 0 11 -4,-0.3 3,-2.2 102,-0.1 -1,-0.3 -0.572 70.7 167.3-140.2 73.9 4.7 5.6 16.4 41 28 H P T 3 S+ 0 0 2 0, 0.0 103,-2.3 0, 0.0 51,-0.2 0.586 75.3 61.1 -80.0 2.8 6.2 8.0 13.8 42 29 H W T 3 S+ 0 0 2 101,-0.2 18,-2.3 103,-0.1 104,-0.1 0.462 77.4 123.5 -98.8 -3.5 9.7 7.2 14.9 43 30 H Q E < -J 59 0C 2 -3,-2.2 49,-0.9 16,-0.2 2,-0.4 -0.376 42.4-169.6 -61.9 131.8 9.3 3.6 14.1 44 31 H V E -JK 58 91C 0 14,-2.4 14,-1.5 47,-0.2 2,-0.6 -0.972 14.5-145.8-127.7 140.2 11.9 2.3 11.6 45 32 H M E -JK 57 90C 0 45,-2.2 45,-2.7 -2,-0.4 2,-0.7 -0.934 9.6-146.0-107.9 121.8 12.0 -0.9 9.7 46 33 H L E -JK 56 89C 2 10,-2.7 9,-3.9 -2,-0.6 10,-1.2 -0.782 26.9-168.6 -83.7 117.3 15.4 -2.5 9.1 47 34 H F E -JK 54 88C 0 41,-2.9 41,-2.7 -2,-0.7 2,-0.3 -0.954 18.6-134.2-124.0 130.3 15.1 -4.1 5.7 48 35 H R E > -JK 53 87C 82 5,-2.9 5,-1.1 -2,-0.5 39,-0.2 -0.621 10.6-145.9 -79.7 131.2 17.4 -6.6 4.0 49 36 H K T 5S+ 0 0 48 37,-2.0 3,-0.4 -2,-0.3 -1,-0.1 0.959 78.6 45.6 -63.1 -57.0 18.1 -5.8 0.3 50 37 H S T 5S+ 0 0 105 1,-0.5 -1,-0.3 36,-0.4 2,-0.1 -0.968 121.5 21.1-146.1 125.6 18.4 -9.4 -0.9 51 37AH P T 5S- 0 0 77 0, 0.0 -1,-0.5 0, 0.0 2,-0.3 0.604 103.9-124.7 -67.1 151.6 16.6 -11.4 -0.2 52 38 H Q T 5 + 0 0 41 -3,-0.4 231,-0.3 -2,-0.1 2,-0.3 -0.376 56.5 130.9 -66.6 112.2 14.0 -8.7 0.7 53 39 H E E < -J 48 0C 69 -5,-1.1 -5,-2.9 -2,-0.3 2,-0.4 -0.989 63.1 -89.5-160.5 161.2 13.0 -9.3 4.3 54 40 H L E -J 47 0C 33 -2,-0.3 -7,-0.2 -7,-0.2 3,-0.1 -0.618 35.2-179.3 -75.2 129.2 12.5 -7.5 7.6 55 41 H L E - 0 0 22 -9,-3.9 2,-0.3 1,-0.4 -8,-0.2 0.792 55.6 -50.0 -99.3 -33.3 15.7 -7.6 9.6 56 42 H b E -J 46 0C 4 -10,-1.2 -10,-2.7 171,-0.1 -1,-0.4 -0.972 55.9 -82.7 179.4 179.4 14.6 -5.8 12.8 57 43 H G E +J 45 0C 1 171,-3.8 12,-0.4 -2,-0.3 2,-0.3 -0.539 42.8 167.6 -97.3 167.7 13.0 -2.8 14.3 58 44 H A E -J 44 0C 0 -14,-1.5 -14,-2.4 -2,-0.2 2,-0.3 -0.937 23.3-123.4-166.1 177.9 14.7 0.6 14.9 59 45 H S E -JL 43 67C 0 8,-2.3 8,-2.9 -2,-0.3 2,-0.6 -0.997 14.4-125.3-143.8 147.0 13.8 4.2 15.8 60 46 H L E + L 0 66C 0 -18,-2.3 86,-2.1 -2,-0.3 6,-0.2 -0.790 28.9 168.8 -90.1 118.1 14.4 7.6 14.3 61 47 H I S S- 0 0 24 4,-2.2 2,-0.3 -2,-0.6 5,-0.2 0.449 70.3 -4.7-112.0 -2.4 16.1 10.0 16.8 62 48 H S S S- 0 0 34 3,-1.0 3,-0.5 85,-0.1 -1,-0.2 -0.938 90.6 -80.2-171.7 177.4 16.9 12.9 14.4 63 49 H D S S+ 0 0 77 -2,-0.3 74,-1.9 1,-0.2 3,-0.1 0.557 128.5 24.3 -74.4 -0.6 16.7 13.5 10.7 64 50 H R S S+ 0 0 64 72,-0.2 69,-2.3 1,-0.1 2,-0.4 0.338 107.5 76.8-145.4 12.5 19.8 11.5 10.1 65 51 H W E - M 0 132C 15 -3,-0.5 -4,-2.2 67,-0.2 -3,-1.0 -0.993 49.2-170.4-132.5 135.0 20.3 9.0 12.9 66 52 H V E -LM 60 131C 0 65,-2.3 65,-1.7 -2,-0.4 2,-0.3 -0.984 11.3-149.1-121.7 139.9 18.6 5.7 13.6 67 53 H L E +LM 59 130C 0 -8,-2.9 -8,-2.3 -2,-0.4 2,-0.3 -0.763 29.6 145.1-111.6 135.0 18.9 3.7 16.9 68 54 H T E - M 0 129C 0 61,-2.3 61,-2.5 -2,-0.3 2,-0.4 -0.901 50.9 -70.6-152.1-175.0 18.7 -0.0 17.0 69 55 H A > - 0 0 0 -12,-0.4 3,-2.4 -2,-0.3 4,-0.4 -0.751 33.5-133.4 -80.5 137.9 20.1 -3.1 18.8 70 56 H A G >> S+ 0 0 0 -2,-0.4 4,-3.1 1,-0.3 3,-2.0 0.849 105.4 63.8 -56.8 -33.7 23.6 -4.1 18.1 71 57 H H G 34 S+ 0 0 15 1,-0.3 -1,-0.3 2,-0.2 9,-0.1 0.652 89.5 67.5 -71.4 -13.1 22.5 -7.7 17.7 72 58 H b G <4 S+ 0 0 1 -3,-2.4 -1,-0.3 1,-0.1 -2,-0.2 0.657 117.6 24.0 -69.7 -24.1 20.4 -6.7 14.6 73 59 H L T <4 S+ 0 0 0 -3,-2.0 9,-2.4 -4,-0.4 2,-0.5 0.667 130.1 35.5-108.0 -36.9 23.6 -6.0 12.8 74 60 H L E < +P 81 0D 33 -4,-3.1 -1,-0.3 7,-0.2 7,-0.2 -0.958 55.0 139.3-138.0 115.0 26.2 -8.1 14.5 75 60AH Y E > > -P 80 0D 46 5,-2.8 3,-2.6 -2,-0.5 5,-1.9 -0.507 22.1-172.4-155.8 86.3 25.7 -11.5 16.0 76 60BH P G > 5S+ 0 0 43 0, 0.0 3,-2.1 0, 0.0 -1,-0.1 0.835 80.3 66.5 -55.8 -29.8 28.5 -13.9 15.4 77 60CH P G 3 5S+ 0 0 70 0, 0.0 44,-0.0 0, 0.0 43,-0.0 0.703 112.4 33.9 -64.1 -28.4 26.8 -17.0 16.8 78 60DH W G < 5S- 0 0 170 -3,-2.6 0, 0.0 2,-0.1 0, 0.0 0.151 118.3-109.2-109.6 18.5 24.2 -16.9 13.9 79 60EH D T < 5 + 0 0 151 -3,-2.1 2,-0.6 -4,-0.3 -5,-0.0 0.784 65.5 153.4 49.8 46.8 26.8 -15.6 11.4 80 60FH K E < +P 75 0D 41 -5,-1.9 -5,-2.8 1,-0.1 -1,-0.2 -0.840 5.8 144.3-101.9 123.8 25.2 -12.1 11.2 81 60GH N E -P 74 0D 123 -2,-0.6 -7,-0.2 -7,-0.2 2,-0.2 -0.510 26.8-173.6-150.1 68.2 27.6 -9.3 10.3 82 60HH F - 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