==== 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 16-OCT-94 3HAT . COMPND 2 MOLECULE: ALPHA-THROMBIN (SMALL SUBUNIT); . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR A.TULINSKY,I.I.MATHEWS . 300 5 4 3 1 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12533.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 183 61.0 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 . 80 26.7 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 . 3 1.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.3 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 6.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 35 11.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 25 8.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 7 2.3 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 1 0 0 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 . 6 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 0 1 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 18 0, 0.0 2,-0.3 0, 0.0 4,-0.2 0.000 360.0 360.0 360.0 -67.9 19.8 12.1 19.9 2 1GL F - 0 0 87 3,-1.4 155,-0.8 2,-0.5 2,-0.3 -0.764 360.0 -50.6-114.6 159.7 20.5 14.0 23.0 3 1FL G S S+ 0 0 28 -2,-0.3 156,-0.2 153,-0.1 -1,-0.1 -0.046 140.9 30.0 -35.2 82.6 18.9 13.3 26.3 4 1EL S S S- 0 0 28 -2,-0.3 -2,-0.5 154,-0.2 152,-0.2 0.568 105.2-109.0 112.6 92.6 15.5 13.3 24.6 5 1DL G S S- 0 0 0 -4,-0.2 -3,-1.4 246,-0.1 151,-0.3 0.663 82.9 -9.5 -14.4-111.9 15.6 12.2 21.0 6 1CL E S S- 0 0 55 149,-0.5 -4,-0.3 63,-0.2 151,-0.1 0.757 81.1-101.8 -71.6-114.6 15.0 15.1 18.5 7 1BL A S S+ 0 0 82 -6,-0.1 -1,-0.1 149,-0.0 -2,-0.1 0.359 124.7 39.2-139.2 -36.0 13.8 18.6 19.7 8 1AL D S > S+ 0 0 72 147,-0.1 3,-1.8 3,-0.0 148,-0.1 0.106 102.0 157.9-104.1 14.7 10.2 18.4 18.8 9 1 L a T 3 + 0 0 0 1,-0.3 146,-0.2 -5,-0.2 3,-0.1 0.053 50.4 9.6 -49.6 144.5 10.8 14.9 20.0 10 2 L G T 3 S+ 0 0 0 144,-2.4 239,-1.4 238,-0.2 2,-0.7 0.408 89.5 119.2 62.1 12.3 8.1 12.7 21.3 11 3 L L < - 0 0 32 -3,-1.8 -1,-0.2 143,-0.2 237,-0.1 -0.909 59.5-140.9-106.1 105.9 5.1 14.9 20.1 12 4 L R > > - 0 0 0 -2,-0.7 3,-1.8 1,-0.2 5,-1.6 -0.511 4.1-141.7 -70.2 121.8 3.1 12.9 17.7 13 5 L P T 3 5S+ 0 0 20 0, 0.0 -1,-0.2 0, 0.0 137,-0.1 0.850 101.2 43.0 -50.9 -42.7 1.8 15.0 14.8 14 6 L L T 3 5S+ 0 0 34 136,-0.5 -2,-0.1 33,-0.3 34,-0.1 0.268 130.2 16.8 -87.8 1.7 -1.5 13.0 14.8 15 7 L F T X >S+ 0 0 14 -3,-1.8 5,-2.6 32,-0.1 3,-2.0 0.331 127.6 35.3-134.5 -83.7 -2.2 12.9 18.6 16 8 L E G > 5S+ 0 0 26 1,-0.3 3,-2.3 3,-0.2 -2,-0.1 0.889 117.7 52.7 -44.0 -62.3 -0.2 15.3 20.8 17 9 L K G 3 - 0 0 4 -2,-0.4 3,-0.8 1,-0.1 4,-0.5 -0.272 37.4 -99.3 -73.9 156.8 -4.6 7.2 21.4 23 14AL K T 3 S+ 0 0 166 1,-0.2 -1,-0.1 2,-0.1 -2,-0.0 0.593 114.4 23.3 -61.1 -5.0 -6.9 4.4 22.5 24 14BL T T >> S+ 0 0 38 2,-0.1 4,-0.8 3,-0.0 3,-0.8 0.392 85.1 103.1-141.9 7.8 -4.8 3.0 25.3 25 14CL E H <> S+ 0 0 4 -3,-0.8 4,-1.8 1,-0.2 3,-0.3 0.767 77.9 64.4 -59.1 -32.1 -2.5 5.7 26.4 26 14DL R H 3> S+ 0 0 42 -4,-0.5 4,-2.7 1,-0.2 -1,-0.2 0.865 94.0 62.5 -55.3 -39.6 -4.7 6.3 29.5 27 14EL E H <> S+ 0 0 57 -3,-0.8 4,-0.8 1,-0.2 -1,-0.2 0.956 107.5 42.7 -52.1 -53.0 -3.7 2.7 30.6 28 14FL L H >X S+ 0 0 0 -4,-0.8 3,-1.0 -3,-0.3 4,-0.6 0.928 114.2 47.6 -54.2 -61.2 -0.1 3.9 30.8 29 14GL L H ><>S+ 0 0 23 -4,-1.8 5,-1.0 1,-0.3 6,-1.0 0.778 106.2 58.6 -58.9 -35.8 -0.7 7.3 32.5 30 14HL E H ><5S+ 0 0 115 -4,-2.7 3,-0.6 4,-0.3 -1,-0.3 0.777 101.7 56.2 -66.1 -27.1 -3.0 5.8 35.1 31 14IL S H <<5S+ 0 0 21 -3,-1.0 -1,-0.2 -4,-0.8 -2,-0.2 0.667 92.1 65.9 -76.1 -25.8 -0.2 3.5 36.2 32 14JL Y T <<5S- 0 0 13 -3,-0.7 -1,-0.2 -4,-0.6 -2,-0.1 0.181 140.1 -90.7 -82.5 12.5 2.1 6.4 36.9 33 14KL I T < 5S- 0 0 136 -3,-0.6 -2,-0.2 0, 0.0 -3,-0.2 0.751 89.8 -41.1 71.5 39.7 -0.6 6.8 39.4 34 14LL D S - 0 0 58 1,-0.1 3,-1.7 -3,-0.0 4,-0.3 -0.523 47.5 -75.3 -92.0 166.3 -3.5 3.1 15.0 46 24 H I T 3 S+ 0 0 95 1,-0.3 -1,-0.1 -2,-0.2 57,-0.1 -0.517 118.3 1.3 -69.6 134.6 -2.2 5.2 12.2 47 25 H G T 3 S+ 0 0 12 -2,-0.2 -33,-0.3 104,-0.1 -1,-0.3 0.641 89.0 128.1 59.0 31.3 0.6 7.4 13.4 48 26 H M S < S+ 0 0 11 -3,-1.7 -2,-0.1 1,-0.3 -26,-0.1 0.796 84.0 26.0 -75.4 -28.5 0.5 6.0 17.0 49 27 H S > + 0 0 16 -4,-0.3 3,-2.3 102,-0.1 -1,-0.3 -0.636 66.7 167.9-136.6 65.9 4.4 5.2 16.8 50 28 H P T 3 S+ 0 0 1 0, 0.0 103,-1.8 0, 0.0 99,-0.1 0.514 75.9 61.1 -62.2 -12.2 6.0 7.6 14.4 51 29 H W T 3 S+ 0 0 2 101,-0.2 18,-2.3 103,-0.1 2,-0.2 0.481 76.0 118.1 -92.9 -9.0 9.5 6.7 15.6 52 30 H Q E < -K 68 0C 4 -3,-2.3 49,-1.0 16,-0.2 50,-0.3 -0.441 43.2-173.4 -70.4 132.7 9.1 3.0 14.5 53 31 H V E -KL 67 100C 0 14,-2.0 14,-0.9 -2,-0.2 2,-0.5 -0.796 19.0-132.7-117.7 160.6 11.6 1.9 11.9 54 32 H M E -KL 66 99C 0 45,-1.1 45,-2.2 -2,-0.3 2,-0.8 -0.981 8.8-147.4-118.7 129.1 11.8 -1.4 10.0 55 33 H L E -KL 65 98C 0 10,-3.5 9,-3.2 -2,-0.5 10,-1.0 -0.872 31.1-174.5 -96.9 113.7 15.2 -3.1 9.7 56 34 H F E -KL 63 97C 0 41,-2.8 41,-2.9 -2,-0.8 2,-0.4 -0.942 21.4-137.1-124.4 129.6 14.9 -4.7 6.2 57 35 H R E > -KL 62 96C 73 5,-3.8 5,-1.8 -2,-0.4 39,-0.2 -0.726 7.7-146.8 -84.6 127.1 17.3 -7.1 4.4 58 36 H K T 5S+ 0 0 47 37,-1.2 -1,-0.1 -2,-0.4 38,-0.1 0.925 79.9 44.8 -61.3 -59.0 17.9 -6.5 0.7 59 36AH S T 5S+ 0 0 103 1,-0.3 -1,-0.2 36,-0.3 2,-0.2 -0.931 123.0 24.0-147.5 116.8 18.3 -10.1 -0.4 60 37 H P T 5S- 0 0 70 0, 0.0 2,-0.5 0, 0.0 -1,-0.3 0.569 107.3-128.8 -60.2 152.7 16.5 -12.1 0.6 61 38 H Q T 5 + 0 0 61 -2,-0.2 2,-0.3 -3,-0.1 -3,-0.2 -0.713 56.0 135.1 -74.0 119.7 14.2 -9.1 1.0 62 39 H E E < -K 57 0C 69 -5,-1.8 -5,-3.8 -2,-0.5 2,-0.6 -0.964 61.8 -90.6-172.4 155.8 13.0 -9.5 4.6 63 40 H L E +K 56 0C 36 -2,-0.3 -7,-0.3 -7,-0.2 3,-0.1 -0.647 35.1 174.5 -75.2 115.3 12.3 -8.0 8.0 64 41 H L E - 0 0 21 -9,-3.2 2,-0.3 -2,-0.6 169,-0.2 0.898 56.8 -49.5 -82.5 -61.9 15.4 -8.3 10.1 65 42 H b E -K 55 0C 1 -10,-1.0 -10,-3.5 169,-0.1 -1,-0.3 -0.912 54.9 -83.5-161.8-172.9 14.2 -6.3 13.3 66 43 H G E +K 54 0C 2 169,-3.7 12,-0.4 -2,-0.3 2,-0.3 -0.440 42.2 170.1 -99.5 173.5 12.5 -3.2 14.7 67 44 H A E -K 53 0C 0 -14,-0.9 -14,-2.0 -2,-0.2 2,-0.3 -0.912 22.9-121.5-168.5 179.1 14.4 0.1 15.4 68 45 H S E -KM 52 76C 0 8,-1.4 8,-1.9 -2,-0.3 2,-0.7 -0.999 14.2-124.9-146.3 139.4 13.6 3.7 16.4 69 46 H L E + M 0 75C 0 -18,-2.3 86,-2.0 -2,-0.3 6,-0.2 -0.696 27.6 171.3 -79.7 112.0 14.3 7.2 14.9 70 47 H I S S- 0 0 0 4,-2.3 2,-0.3 -2,-0.7 -68,-0.3 0.609 74.2 -12.4 -97.5 -12.5 16.1 9.4 17.5 71 48 H S S S- 0 0 4 3,-1.1 -1,-0.3 -70,-0.1 3,-0.2 -0.909 87.6 -80.1-168.8 176.9 16.7 12.2 15.0 72 49 H D S S+ 0 0 46 -2,-0.3 74,-2.0 1,-0.2 72,-0.1 0.537 129.8 31.3 -69.0 -12.2 16.4 12.8 11.1 73 50 H R S S+ 0 0 39 72,-0.2 69,-3.5 1,-0.1 2,-0.4 0.500 109.0 73.9-122.1 -8.6 19.8 11.0 10.6 74 51 H W E - N 0 141C 0 -3,-0.2 -4,-2.3 67,-0.2 -3,-1.1 -0.950 48.0-173.8-125.4 133.1 20.0 8.4 13.5 75 52 H V E -MN 69 140C 0 65,-2.5 65,-2.3 -2,-0.4 2,-0.4 -0.851 12.8-148.8-115.8 146.9 18.4 5.1 14.1 76 53 H L E +MN 68 139C 0 -8,-1.9 -8,-1.4 -2,-0.3 2,-0.3 -0.953 27.8 148.2-124.0 135.5 18.7 3.0 17.3 77 54 H T E - N 0 138C 0 61,-2.5 61,-1.3 -2,-0.4 2,-0.4 -0.888 51.6 -76.5-150.5-176.7 18.5 -0.8 17.5 78 55 H A > - 0 0 0 -12,-0.4 3,-1.8 -2,-0.3 4,-0.4 -0.802 35.4-135.3 -86.0 129.3 19.8 -3.9 19.3 79 56 H A G >> S+ 0 0 0 -2,-0.4 3,-2.0 1,-0.3 4,-1.6 0.840 102.2 69.2 -55.0 -34.8 23.4 -4.7 18.3 80 57 H H G 34 S+ 0 0 0 1,-0.3 -1,-0.3 2,-0.2 155,-0.0 0.501 87.4 65.2 -59.4 -13.2 22.4 -8.5 18.1 81 58 H b G <4 S+ 0 0 0 -3,-1.8 -1,-0.3 223,-0.1 -2,-0.2 0.710 115.9 28.7 -80.3 -23.5 20.3 -7.6 15.0 82 59 H L T <4 S+ 0 0 2 -3,-2.0 9,-2.2 -4,-0.4 2,-0.4 0.904 128.4 32.4 -89.6 -73.7 23.6 -6.7 13.2 83 60 H L E < +Q 90 0D 40 -4,-1.6 -1,-0.3 7,-0.3 7,-0.2 -0.826 55.3 138.3-105.1 122.0 26.2 -9.0 14.9 84 60AH Y E > > -Q 89 0D 30 5,-2.4 5,-2.2 -2,-0.4 3,-1.2 -0.455 20.5-174.8-166.9 82.1 25.7 -12.5 16.3 85 60BH P G > 5S+ 0 0 47 0, 0.0 3,-3.2 0, 0.0 5,-0.1 0.871 80.3 69.7 -52.8 -44.9 28.5 -14.9 15.6 86 60CH P G 3 5S+ 0 0 62 0, 0.0 44,-0.0 0, 0.0 -2,-0.0 0.903 111.8 32.5 -43.4 -48.6 26.8 -17.8 17.1 87 60DH W G < 5S- 0 0 147 -3,-1.2 3,-0.1 2,-0.1 0, 0.0 0.192 116.7-108.6 -96.2 17.5 24.3 -17.7 14.2 88 60EH D T < 5 + 0 0 154 -3,-3.2 2,-0.5 1,-0.2 -5,-0.0 0.845 68.4 153.1 61.6 34.5 26.8 -16.5 11.6 89 60FH K E < +Q 84 0D 32 -5,-2.2 -5,-2.4 1,-0.0 -1,-0.2 -0.840 5.4 139.5 -99.7 124.8 25.1 -13.1 11.6 90 60GH N E -Q 83 0D 118 -2,-0.5 -7,-0.3 -7,-0.2 2,-0.1 -0.189 27.6-168.9-166.2 68.3 27.2 -10.0 10.7 91 60HH F - 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