==== 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 21-JAN-98 1A3E . COMPND 2 MOLECULE: ALPHA-THROMBIN (SMALL SUBUNIT); . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR E.SKORDALAKES,S.ELGENDY,C.A.GOODWIN,D.GREEN,M.F.SCULLLY,V.V. . 289 4 4 3 1 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13238.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 174 60.2 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 . 32 11.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 26 9.0 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 0 117 0, 0.0 146,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -61.0 13.3 19.8 20.5 2 1AL D > + 0 0 87 144,-0.1 3,-1.2 3,-0.0 145,-0.1 0.092 360.0 140.6-108.1 2.7 10.0 19.1 19.0 3 1 L a T 3 + 0 0 26 1,-0.2 143,-0.2 143,-0.1 144,-0.1 -0.123 59.0 14.0 -57.9 143.8 10.9 15.5 20.0 4 2 L G T 3 S+ 0 0 0 141,-2.9 238,-1.5 237,-0.2 2,-0.7 0.516 91.9 113.5 72.2 8.5 8.2 13.2 21.3 5 3 L L < - 0 0 45 -3,-1.2 -1,-0.2 140,-0.3 236,-0.1 -0.921 62.0-141.6-110.5 106.4 5.2 15.3 20.3 6 4 L R > > - 0 0 0 -2,-0.7 5,-2.2 1,-0.1 3,-1.4 -0.511 6.5-137.4 -73.2 134.5 3.3 13.4 17.6 7 5 L P T 3 5S+ 0 0 9 0, 0.0 -1,-0.1 0, 0.0 134,-0.1 0.842 103.8 41.4 -55.4 -38.8 1.8 15.5 14.8 8 6 L L T 3 5S+ 0 0 32 133,-0.4 31,-0.1 30,-0.3 -2,-0.1 0.451 129.9 20.9 -95.2 1.7 -1.5 13.5 14.8 9 7 L F T X>>S+ 0 0 14 -3,-1.4 5,-2.4 29,-0.1 3,-1.4 0.433 127.9 24.7-128.0 -87.9 -1.9 13.3 18.6 10 8 L E G >45S+ 0 0 31 1,-0.3 3,-0.9 3,-0.2 -5,-0.1 0.890 120.0 56.7 -52.9 -45.0 -0.1 15.7 21.0 11 9 L K G 34 - 0 0 6 -2,-0.3 3,-0.7 1,-0.1 4,-0.4 -0.412 37.8 -97.4 -81.5 168.0 -4.6 7.7 21.3 17 14AL K T 3 S+ 0 0 178 1,-0.2 -1,-0.1 2,-0.1 4,-0.1 0.667 114.1 24.1 -65.1 -21.0 -6.8 4.8 22.5 18 14BL T T >> S+ 0 0 41 2,-0.1 3,-0.9 1,-0.1 4,-0.7 0.358 85.7 99.9-129.9 11.1 -4.6 3.4 25.2 19 14CL E H X> S+ 0 0 11 -3,-0.7 4,-1.9 1,-0.2 3,-0.6 0.832 77.1 67.7 -69.6 -24.0 -2.2 6.1 26.4 20 14DL R H 3> S+ 0 0 139 -4,-0.4 4,-2.6 1,-0.2 -1,-0.2 0.846 91.4 62.7 -59.9 -33.0 -4.5 6.7 29.4 21 14EL E H <> S+ 0 0 51 -3,-0.9 4,-0.6 1,-0.2 -1,-0.2 0.869 104.3 46.8 -60.6 -38.2 -3.4 3.3 30.6 22 14FL L H XX S+ 0 0 1 -4,-0.7 3,-1.1 -3,-0.6 4,-0.6 0.958 112.3 48.8 -66.6 -51.8 0.2 4.5 30.9 23 14GL L H >< S+ 0 0 91 -4,-1.9 3,-1.0 1,-0.3 -2,-0.2 0.860 107.5 54.9 -56.6 -42.4 -0.8 7.7 32.7 24 14HL E H 3< S+ 0 0 133 -4,-2.6 -1,-0.3 1,-0.2 -2,-0.2 0.714 104.8 55.5 -68.5 -19.2 -3.0 5.9 35.2 25 14IL S H << S+ 0 0 18 -3,-1.1 2,-1.6 -4,-0.6 -1,-0.2 0.618 83.8 89.0 -88.6 -14.4 0.0 3.7 36.1 26 14JL Y << 0 0 25 -3,-1.0 -1,-0.1 -4,-0.6 135,-0.0 -0.603 360.0 360.0 -87.4 80.7 2.3 6.6 36.9 27 14KL I 0 0 167 -2,-1.6 -1,-0.1 -3,-0.0 -2,-0.1 0.871 360.0 360.0 -92.0 360.0 1.4 6.9 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,-0.5 0, 0.0 3,-0.4 0.000 360.0 360.0 360.0 127.8 4.2 -8.5 19.5 30 17 H V B -A 222 0A 10 192,-2.8 192,-1.3 1,-0.2 143,-0.1 -0.858 360.0 -0.3-103.5 131.4 2.0 -11.0 21.3 31 18 H E S S+ 0 0 130 -2,-0.5 -1,-0.2 141,-0.5 189,-0.2 0.814 101.1 124.5 63.2 34.7 -1.4 -10.1 22.6 32 19 H G - 0 0 28 -3,-0.4 2,-0.3 154,-0.1 154,-0.2 -0.195 53.6-123.9-101.1-162.7 -1.1 -6.5 21.3 33 20 H S E -B 185 0B 61 152,-2.0 152,-2.4 -2,-0.1 -3,-0.0 -0.959 35.4 -77.3-144.0 159.8 -3.4 -4.6 19.0 34 21 H D E -B 184 0B 111 -2,-0.3 150,-0.2 150,-0.2 2,-0.1 -0.315 52.6-118.7 -57.0 138.6 -3.1 -2.8 15.7 35 22 H A - 0 0 6 148,-3.1 2,-0.2 59,-0.1 -1,-0.1 -0.441 24.9-113.6 -76.8 154.1 -1.5 0.6 16.1 36 23 H E > - 0 0 46 1,-0.1 3,-1.8 -2,-0.1 4,-0.3 -0.509 48.2 -79.3 -81.5 157.9 -3.4 3.7 15.1 37 24 H I T 3 S+ 0 0 87 1,-0.3 -1,-0.1 -2,-0.2 57,-0.1 -0.434 116.7 2.3 -63.0 125.9 -2.1 5.8 12.2 38 25 H G T 3 S+ 0 0 12 -2,-0.2 -30,-0.3 55,-0.1 -1,-0.3 0.674 90.8 129.3 70.6 23.1 0.9 8.0 13.3 39 26 H M S < S+ 0 0 9 -3,-1.8 -2,-0.1 1,-0.3 -33,-0.1 0.752 83.4 22.4 -75.9 -25.9 0.7 6.5 16.8 40 27 H S S > S+ 0 0 12 -4,-0.3 3,-2.1 102,-0.1 -1,-0.3 -0.604 70.5 166.6-143.2 69.1 4.5 5.8 16.8 41 28 H P T 3 S+ 0 0 1 0, 0.0 103,-1.8 0, 0.0 51,-0.1 0.556 74.1 61.4 -75.8 -3.3 6.0 8.0 14.2 42 29 H W T 3 S+ 0 0 3 101,-0.2 18,-2.1 103,-0.1 2,-0.2 0.365 77.3 121.9 -94.2 -0.4 9.6 7.3 15.4 43 30 H Q E < -J 59 0C 2 -3,-2.1 49,-1.0 16,-0.2 50,-0.4 -0.471 43.4-170.8 -69.2 129.8 9.1 3.6 14.5 44 31 H V E -JK 58 91C 0 14,-2.3 14,-1.3 -2,-0.2 2,-0.5 -0.941 16.3-144.2-123.8 143.4 11.7 2.4 12.0 45 32 H M E -JK 57 90C 0 45,-2.6 45,-2.6 -2,-0.4 2,-0.6 -0.933 9.8-147.5-107.8 124.5 11.9 -0.9 10.1 46 33 H L E -JK 56 89C 4 10,-2.8 9,-3.0 -2,-0.5 10,-1.1 -0.841 25.4-169.9 -89.0 121.5 15.4 -2.4 9.4 47 34 H F E -JK 54 88C 0 41,-2.7 41,-2.1 -2,-0.6 2,-0.3 -0.953 20.4-130.9-126.0 129.3 15.1 -4.1 6.1 48 35 H R E > -JK 53 87C 79 5,-3.6 5,-1.0 -2,-0.5 39,-0.2 -0.567 11.9-144.7 -76.4 134.6 17.6 -6.5 4.4 49 36 H K T 5S+ 0 0 58 37,-2.1 -1,-0.1 -2,-0.3 38,-0.1 0.951 79.4 44.7 -65.0 -51.7 18.3 -5.6 0.8 50 37 H S T 5S+ 0 0 102 36,-0.4 -1,-0.2 1,-0.3 2,-0.2 -0.936 120.0 22.1-154.8 123.0 18.7 -9.3 -0.4 51 37AH P T 5S- 0 0 78 0, 0.0 2,-0.8 0, 0.0 -1,-0.3 0.691 105.6-123.4 -64.3 161.1 17.0 -11.4 0.2 52 38 H Q T 5 + 0 0 32 -2,-0.2 2,-0.3 -3,-0.1 232,-0.3 -0.679 55.6 137.1 -79.6 111.2 14.4 -8.7 1.0 53 39 H E E < -J 48 0C 77 -5,-1.0 -5,-3.6 -2,-0.8 2,-0.4 -0.997 58.6 -98.2-157.1 157.2 13.3 -9.3 4.6 54 40 H L E +J 47 0C 35 -2,-0.3 -7,-0.2 -7,-0.2 3,-0.1 -0.617 35.8 174.9 -74.8 123.4 12.4 -7.6 7.9 55 41 H L E - 0 0 24 -9,-3.0 2,-0.3 -2,-0.4 -8,-0.2 0.836 54.3 -44.4 -99.6 -44.6 15.4 -7.7 10.2 56 42 H b E -J 46 0C 4 -10,-1.1 -10,-2.8 171,-0.1 -1,-0.4 -0.964 54.6 -92.6-171.3 176.8 14.4 -5.7 13.3 57 43 H G E +J 45 0C 2 171,-3.3 12,-0.4 -2,-0.3 2,-0.3 -0.485 38.4 172.2 -97.8 177.5 12.8 -2.5 14.5 58 44 H A E -J 44 0C 0 -14,-1.3 -14,-2.3 -2,-0.2 2,-0.4 -0.934 22.9-117.7-169.3 179.0 14.6 0.7 15.4 59 45 H S E -JL 43 67C 0 8,-2.4 8,-2.9 -2,-0.3 2,-0.6 -0.996 13.6-125.5-142.1 146.7 13.7 4.3 16.3 60 46 H L E + L 0 66C 0 -18,-2.1 86,-2.3 -2,-0.4 6,-0.2 -0.780 29.2 168.3 -90.3 118.2 14.2 7.7 14.8 61 47 H I - 0 0 23 4,-2.2 2,-0.3 -2,-0.6 5,-0.2 0.463 68.4 -5.3-111.7 -3.8 15.9 10.1 17.3 62 48 H S S S- 0 0 33 3,-1.0 -1,-0.2 85,-0.1 3,-0.1 -0.937 89.9 -77.8-168.5-175.5 16.8 12.9 15.0 63 49 H D S S+ 0 0 78 -2,-0.3 74,-2.6 1,-0.2 3,-0.1 0.625 128.9 20.9 -76.9 -6.2 16.6 13.8 11.3 64 50 H R S S+ 0 0 58 72,-0.2 69,-2.4 1,-0.1 2,-0.4 0.345 107.8 78.6-143.3 10.1 19.7 11.6 10.6 65 51 H W E - M 0 132C 18 67,-0.2 -4,-2.2 -3,-0.1 -3,-1.0 -0.984 48.1-171.1-129.5 135.2 20.2 9.1 13.5 66 52 H V E -LM 60 131C 0 65,-2.2 65,-2.6 -2,-0.4 2,-0.4 -0.971 11.3-149.5-124.2 136.9 18.5 5.9 14.2 67 53 H L E +LM 59 130C 0 -8,-2.9 -8,-2.4 -2,-0.4 2,-0.3 -0.852 29.5 144.0-108.3 138.7 18.8 3.8 17.3 68 54 H T E - M 0 129C 0 61,-2.4 61,-2.2 -2,-0.4 2,-0.4 -0.883 51.0 -70.0-156.1-175.5 18.5 -0.0 17.5 69 55 H A > - 0 0 0 -12,-0.4 3,-1.6 -2,-0.3 4,-0.4 -0.717 32.6-134.3 -91.2 139.5 19.9 -3.1 19.2 70 56 H A G >> S+ 0 0 0 -2,-0.4 4,-2.8 1,-0.3 3,-1.9 0.854 103.7 64.2 -58.3 -36.4 23.5 -4.2 18.4 71 57 H H G 34 S+ 0 0 19 1,-0.3 -1,-0.3 2,-0.2 157,-0.0 0.645 89.6 67.7 -68.4 -12.1 22.4 -7.8 18.0 72 58 H b G <4 S+ 0 0 1 -3,-1.6 -1,-0.3 1,-0.1 -2,-0.2 0.749 116.9 24.8 -74.7 -22.3 20.3 -6.8 15.0 73 59 H L T <4 S+ 0 0 0 -3,-1.9 9,-2.8 -4,-0.4 2,-0.4 0.708 129.4 33.4-111.0 -34.6 23.6 -6.1 13.2 74 60 H L E < +P 81 0D 35 -4,-2.8 -1,-0.3 7,-0.2 7,-0.2 -0.962 54.1 138.5-138.4 117.6 26.2 -8.2 14.9 75 60AH Y E > > -P 80 0D 51 5,-2.8 3,-2.2 -2,-0.4 5,-1.4 -0.486 22.3-172.5-157.6 86.1 25.8 -11.7 16.4 76 60BH P G > 5S+ 0 0 46 0, 0.0 3,-2.2 0, 0.0 -1,-0.1 0.758 78.5 69.0 -55.7 -30.6 28.6 -14.1 15.7 77 60CH P G 3 5S+ 0 0 71 0, 0.0 44,-0.0 0, 0.0 0, 0.0 0.703 112.2 34.4 -59.0 -30.2 27.1 -17.2 17.2 78 60DH W G < 5S- 0 0 172 -3,-2.2 0, 0.0 2,-0.1 0, 0.0 0.136 118.8-110.4-108.3 15.1 24.6 -17.1 14.3 79 60EH D T < 5 + 0 0 154 -3,-2.2 2,-0.6 1,-0.2 -5,-0.0 0.884 65.7 152.4 56.7 44.5 27.1 -15.7 11.8 80 60FH K E < +P 75 0D 45 -5,-1.4 -5,-2.8 2,-0.0 -1,-0.2 -0.919 5.3 144.6-107.6 123.1 25.4 -12.4 11.6 81 60GH N E -P 74 0D 123 -2,-0.6 2,-0.2 -7,-0.2 -7,-0.2 -0.534 24.0-172.7-158.8 81.9 27.5 -9.4 10.8 82 60HH F - 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