==== 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-JUL-99 1C1W . COMPND 2 MOLECULE: ALPHA THROMBIN; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR B.A.KATZ,C.LUONG . 299 4 4 3 1 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13388.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 186 62.2 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 . 79 26.4 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 1.3 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 . 3 1.0 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 . 20 6.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 38 12.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 28 9.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 2.0 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 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 . 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 5 1 2 4 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 1HL T 0 0 7 0, 0.0 5,-0.2 0, 0.0 2,-0.1 0.000 360.0 360.0 360.0 -57.6 19.5 12.7 19.4 2 1GL F B > +A 5 0A 118 3,-2.5 3,-2.0 1,-0.4 155,-0.7 -0.287 360.0 0.0-125.4-150.4 20.7 13.6 22.9 3 1FL G T 3 S- 0 0 18 1,-0.3 -1,-0.4 -2,-0.1 156,-0.2 0.005 133.5 -1.4 -41.0 141.0 19.2 14.5 26.2 4 1EL S T 3 S- 0 0 48 153,-0.3 2,-0.7 152,-0.1 3,-0.4 0.717 123.4 -88.3 41.4 27.8 15.4 14.7 26.3 5 1DL G B < S-A 2 0A 0 -3,-2.0 -3,-2.5 152,-0.9 151,-0.1 -0.701 70.7 -39.9 94.0-111.4 15.7 13.8 22.6 6 1CL E S S- 0 0 40 -2,-0.7 2,-0.3 -5,-0.2 -1,-0.2 0.586 76.4 -96.6-137.2 -21.8 16.0 16.2 19.8 7 1BL A S S+ 0 0 73 -3,-0.4 2,-1.2 2,-0.0 149,-0.0 -0.731 121.7 43.4 131.9 -69.9 13.7 19.3 20.5 8 1AL D S S+ 0 0 53 -2,-0.3 2,-0.3 -3,-0.1 -3,-0.1 -0.775 92.2 120.7-101.8 83.1 10.8 18.2 18.4 9 1 L a + 0 0 0 -2,-1.2 146,-0.3 -5,-0.2 147,-0.1 -0.946 60.2 22.8-140.3 160.1 10.8 14.6 19.6 10 2 L G S S+ 0 0 0 144,-2.0 240,-1.0 -2,-0.3 2,-0.6 0.450 89.1 107.0 64.9 -0.1 8.2 12.5 21.3 11 3 L L - 0 0 40 143,-0.2 -1,-0.1 238,-0.2 238,-0.1 -0.972 64.1-142.9-114.2 111.1 5.2 14.7 20.2 12 4 L R > > - 0 0 0 -2,-0.6 5,-1.9 1,-0.1 3,-1.6 -0.601 9.0-134.5 -79.5 126.7 3.2 12.8 17.5 13 5 L P T 3 5S+ 0 0 13 0, 0.0 -1,-0.1 0, 0.0 137,-0.1 0.813 103.2 39.3 -44.1 -38.1 1.7 14.8 14.7 14 6 L L T 3 5S+ 0 0 39 136,-0.4 34,-0.1 33,-0.3 136,-0.0 0.437 128.5 23.4 -95.0 -11.2 -1.6 13.0 14.9 15 7 L F T X>>S+ 0 0 13 -3,-1.6 5,-2.7 32,-0.1 3,-2.3 0.431 128.4 22.9-117.9 -92.3 -2.0 12.7 18.5 16 8 L E G >45S+ 0 0 26 1,-0.3 3,-1.8 3,-0.3 -5,-0.1 0.859 121.4 55.8 -41.6 -57.5 -0.2 15.2 20.9 17 9 L K G 34 - 0 0 7 -2,-0.3 3,-0.8 26,-0.1 4,-0.4 -0.624 40.2 -98.3 -95.0 164.3 -4.5 6.9 21.1 23 14AL K T 3 S+ 0 0 155 1,-0.2 -1,-0.1 -2,-0.2 -2,-0.0 0.655 114.2 33.1 -60.9 -18.7 -6.8 4.2 22.7 24 14BL T T >> S+ 0 0 32 2,-0.1 4,-1.0 1,-0.1 3,-0.6 0.414 83.5 95.3-118.5 4.9 -4.3 2.8 25.3 25 14CL E H <> S+ 0 0 2 -3,-0.8 4,-2.0 1,-0.2 5,-0.3 0.841 78.5 69.4 -64.0 -27.1 -2.1 5.6 26.5 26 14DL R H 3> S+ 0 0 161 -4,-0.4 4,-3.0 1,-0.2 -1,-0.2 0.948 93.7 55.7 -50.5 -51.6 -4.4 6.1 29.4 27 14EL E H <> S+ 0 0 35 -3,-0.6 4,-1.6 2,-0.2 -1,-0.2 0.928 107.6 49.3 -45.6 -56.4 -3.2 2.7 30.8 28 14FL L H >X S+ 0 0 0 -4,-1.0 3,-1.0 1,-0.2 4,-0.7 0.947 114.4 42.2 -51.0 -60.1 0.4 3.9 30.8 29 14GL L H ><>S+ 0 0 25 -4,-2.0 5,-0.8 1,-0.3 3,-0.8 0.835 111.1 57.3 -60.9 -33.5 -0.3 7.2 32.5 30 14HL E H 3<5S+ 0 0 74 -4,-3.0 4,-0.3 -5,-0.3 -1,-0.3 0.831 100.5 58.8 -68.3 -26.9 -2.6 5.5 34.9 31 14IL S H <<5S+ 0 0 21 -4,-1.6 2,-1.5 -3,-1.0 -1,-0.2 0.664 86.3 73.3 -76.7 -14.3 0.3 3.1 36.0 32 14JL Y T <<5S- 0 0 8 -3,-0.8 -1,-0.2 -4,-0.7 139,-0.1 -0.423 136.8 -84.6 -93.1 58.5 2.5 6.0 37.1 33 14KL I T 5S- 0 0 147 -2,-1.5 -2,-0.2 -3,-0.1 -3,-0.1 0.655 92.2 -50.3 43.5 25.8 0.0 6.1 40.0 34 14LL D < - 0 0 105 -5,-0.8 2,-0.4 -4,-0.3 -4,-0.2 0.324 60.7-127.9 91.2 144.4 -2.2 8.3 37.7 35 14ML G 0 0 17 -9,-0.1 -1,-0.1 211,-0.0 -6,-0.1 -0.954 360.0 360.0-136.0 121.0 -1.2 11.4 35.7 36 15 L R 0 0 275 -2,-0.4 210,-0.0 209,-0.0 0, 0.0 -0.011 360.0 360.0 119.2 360.0 -3.0 14.9 35.6 37 !* 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 38 16 H I 0 0 0 0, 0.0 2,-0.4 0, 0.0 193,-0.2 0.000 360.0 360.0 360.0 141.2 4.4 -9.1 19.6 39 17 H V B +B 230 0B 11 191,-2.4 191,-1.4 1,-0.2 143,-0.1 -0.924 360.0 2.8-114.6 136.5 2.2 -11.7 21.4 40 18 H E S S+ 0 0 138 -2,-0.4 2,-0.3 141,-0.4 188,-0.2 0.796 101.0 122.3 56.2 37.5 -1.2 -10.7 22.8 41 19 H G - 0 0 21 -3,-0.2 153,-0.2 153,-0.1 -1,-0.2 -0.799 56.1-125.8-119.3 160.8 -0.8 -7.1 21.5 42 20 H S E -C 193 0C 63 151,-1.6 151,-2.5 -2,-0.3 2,-0.1 -0.457 35.5 -79.0-103.6 177.3 -3.2 -5.3 19.2 43 21 H D E -C 192 0C 92 149,-0.2 149,-0.3 -2,-0.1 -1,-0.1 -0.495 50.5-118.7 -74.6 150.7 -2.7 -3.6 15.9 44 22 H A - 0 0 8 147,-3.2 2,-0.2 59,-0.1 -1,-0.1 -0.279 23.7-113.7 -82.1 171.4 -1.3 -0.1 16.2 45 23 H E > - 0 0 62 1,-0.1 3,-1.3 -2,-0.1 4,-0.3 -0.662 46.4 -81.8-100.8 162.1 -3.2 3.0 15.0 46 24 H I T 3 S+ 0 0 85 1,-0.3 -1,-0.1 -2,-0.2 57,-0.1 -0.369 116.9 7.6 -63.8 146.3 -1.9 5.0 12.1 47 25 H G T 3 S+ 0 0 11 54,-0.1 -33,-0.3 2,-0.1 -1,-0.3 0.802 91.6 124.7 49.1 39.3 0.9 7.4 13.2 48 26 H M S < S+ 0 0 7 -3,-1.3 -2,-0.1 1,-0.2 -1,-0.1 0.799 84.5 22.2 -92.0 -32.2 0.9 5.9 16.8 49 27 H S S > S+ 0 0 12 -4,-0.3 3,-2.7 1,-0.1 -1,-0.2 -0.588 71.9 168.9-130.8 65.9 4.6 5.1 16.8 50 28 H P T 3 S+ 0 0 3 0, 0.0 103,-1.0 0, 0.0 51,-0.2 0.700 76.9 57.8 -60.9 -16.3 6.0 7.5 14.1 51 29 H W T 3 S+ 0 0 3 101,-0.2 18,-1.2 103,-0.1 2,-0.3 0.445 75.5 117.0 -91.5 -1.8 9.5 6.6 15.3 52 30 H Q E < -K 68 0D 6 -3,-2.7 49,-0.7 16,-0.2 50,-0.3 -0.528 46.2-171.5 -70.7 129.0 9.2 2.9 14.6 53 31 H V E -KL 67 100D 0 14,-2.6 14,-1.1 -2,-0.3 2,-0.4 -0.785 15.3-140.5-117.7 163.2 11.7 1.9 11.9 54 32 H M E -KL 66 99D 0 45,-1.6 45,-2.7 -2,-0.3 2,-0.5 -0.999 5.1-148.6-127.1 127.6 12.1 -1.4 10.0 55 33 H L E -KL 65 98D 0 10,-2.4 9,-2.5 -2,-0.4 10,-0.9 -0.852 26.5-168.9 -94.8 132.2 15.6 -2.9 9.2 56 34 H F E -KL 63 97D 0 41,-3.1 41,-1.8 -2,-0.5 2,-0.4 -0.967 18.3-130.7-125.3 138.8 15.0 -4.7 5.9 57 35 H R E > -KL 62 96D 79 5,-3.0 5,-0.7 -2,-0.4 39,-0.2 -0.711 9.6-146.9 -91.0 140.9 17.4 -7.1 4.2 58 36 H K T 5S+ 0 0 44 37,-1.6 -1,-0.2 -2,-0.4 38,-0.1 0.981 80.8 48.3 -70.5 -58.1 18.0 -6.4 0.5 59 36AH S T 5S+ 0 0 103 36,-0.2 -1,-0.3 1,-0.2 2,-0.2 -0.998 122.9 20.7-131.6 128.1 18.4 -10.0 -0.6 60 37 H P T 5S- 0 0 75 0, 0.0 2,-1.2 0, 0.0 -1,-0.2 0.798 101.7-128.1 -54.1 163.6 16.4 -11.9 0.3 61 38 H Q T 5 + 0 0 63 -2,-0.2 232,-0.4 232,-0.1 2,-0.3 -0.719 55.4 140.8 -87.1 101.2 13.9 -9.1 1.0 62 39 H E E < -K 57 0D 68 -2,-1.2 -5,-3.0 -5,-0.7 2,-0.2 -0.990 58.9-100.1-144.3 154.3 12.9 -9.9 4.6 63 40 H L E +K 56 0D 31 -2,-0.3 -7,-0.2 -7,-0.2 3,-0.1 -0.509 37.4 176.8 -68.6 135.5 12.2 -8.0 7.8 64 41 H L E - 0 0 24 -9,-2.5 2,-0.3 1,-0.5 170,-0.2 0.810 52.6 -36.9-108.4 -56.5 15.3 -8.2 10.0 65 42 H b E -K 55 0D 6 -10,-0.9 -10,-2.4 170,-0.1 -1,-0.5 -0.884 54.4 -97.0-156.3-176.8 14.4 -6.2 13.1 66 43 H G E +K 54 0D 2 170,-3.3 12,-0.4 -2,-0.3 2,-0.3 -0.526 39.7 168.9-103.2 167.7 12.7 -3.2 14.6 67 44 H A E -K 53 0D 0 -14,-1.1 -14,-2.6 -2,-0.2 2,-0.3 -0.927 24.2-123.5-168.5 176.4 14.6 0.1 15.3 68 45 H S E -KM 52 76D 0 8,-1.7 8,-2.4 -2,-0.3 2,-0.6 -0.957 15.2-122.5-138.1 156.3 13.7 3.7 16.2 69 46 H L E + M 0 75D 0 -18,-1.2 86,-2.1 -2,-0.3 6,-0.2 -0.874 30.0 171.0 -97.4 119.9 14.4 7.1 14.7 70 47 H I S S- 0 0 0 4,-2.2 2,-0.2 -2,-0.6 5,-0.2 0.634 71.0 -7.3-106.5 -19.0 16.1 9.4 17.3 71 48 H S S S- 0 0 1 3,-1.2 84,-0.1 -70,-0.1 -65,-0.1 -0.707 92.5 -81.0-151.4-159.4 17.0 12.4 15.0 72 49 H D S S+ 0 0 45 -2,-0.2 74,-1.9 1,-0.1 72,-0.1 0.630 127.9 29.7 -94.6 -8.9 16.8 12.8 11.2 73 50 H R S S+ 0 0 91 72,-0.2 69,-2.7 1,-0.1 2,-0.4 0.471 108.0 78.0-122.5 -6.8 20.0 10.9 10.4 74 51 H W E - N 0 141D 0 67,-0.2 -4,-2.2 65,-0.0 -3,-1.2 -0.902 47.5-175.7-116.6 139.0 20.2 8.4 13.3 75 52 H V E -MN 69 140D 0 65,-2.1 65,-2.3 -2,-0.4 2,-0.4 -0.953 13.7-151.8-123.7 140.5 18.5 5.2 14.0 76 53 H L E +MN 68 139D 0 -8,-2.4 -8,-1.7 -2,-0.4 2,-0.2 -0.952 28.2 150.1-114.7 128.3 19.0 3.2 17.2 77 54 H T E - N 0 138D 0 61,-2.7 61,-2.2 -2,-0.4 2,-0.4 -0.752 49.8 -73.9-141.9-168.2 18.6 -0.6 17.3 78 55 H A > - 0 0 0 -12,-0.4 3,-1.6 59,-0.2 4,-0.3 -0.772 35.4-134.2 -96.2 135.4 19.9 -3.7 19.1 79 56 H A G >> S+ 0 0 0 -2,-0.4 4,-2.8 1,-0.3 3,-1.8 0.843 100.9 61.8 -60.1 -34.0 23.4 -4.8 18.2 80 57 H H G 34 S+ 0 0 22 1,-0.3 -1,-0.3 2,-0.2 156,-0.0 0.591 88.5 70.0 -74.8 -1.0 22.6 -8.4 17.9 81 58 H b G <4 S+ 0 0 0 -3,-1.6 -1,-0.3 1,-0.1 -2,-0.2 0.664 116.4 26.5 -81.5 -15.7 20.2 -7.6 15.1 82 59 H L T <4 S+ 0 0 1 -3,-1.8 9,-3.0 -4,-0.3 2,-0.4 0.794 128.9 31.1-112.1 -40.4 23.5 -6.9 13.2 83 60 H L E < +Q 90 0E 45 -4,-2.8 -1,-0.3 7,-0.2 7,-0.2 -0.970 55.9 141.4-130.3 114.4 26.3 -8.9 14.8 84 60AH Y E > > -Q 89 0E 51 5,-3.0 3,-2.1 -2,-0.4 5,-1.8 -0.627 22.6-171.9-153.3 82.8 25.8 -12.4 16.4 85 60BH P G > 5S+ 0 0 52 0, 0.0 3,-2.3 0, 0.0 -1,-0.1 0.766 79.3 72.6 -45.7 -42.0 28.7 -14.7 15.6 86 60CH P G 3 5S+ 0 0 63 0, 0.0 44,-0.0 0, 0.0 0, 0.0 0.811 112.7 29.0 -43.9 -35.6 27.0 -17.8 17.1 87 60DH W G < 5S- 0 0 162 -3,-2.1 3,-0.1 2,-0.1 -3,-0.0 0.012 116.2-107.9-118.5 29.4 24.7 -17.7 14.0 88 60EH D T < 5 + 0 0 151 -3,-2.3 2,-0.6 1,-0.2 -5,-0.0 0.843 66.4 153.1 50.3 39.6 27.1 -16.2 11.6 89 60FH K E < +Q 84 0E 46 -5,-1.8 -5,-3.0 2,-0.0 2,-0.2 -0.883 2.4 143.3-102.8 121.9 25.2 -12.9 11.6 90 60GH N E -Q 83 0E 109 -2,-0.6 2,-0.3 -7,-0.2 -7,-0.2 -0.704 27.1-169.6-156.1 93.6 27.4 -9.9 10.7 91 60HH F - 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