==== 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 03-JUN-91 2HGT . COMPND 2 MOLECULE: ALPHA-THROMBIN (SMALL SUBUNIT); . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR A.TULINSKY,V.CARPEROS . 294 5 4 3 1 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12569.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 187 63.6 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 . 81 27.6 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 . 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 . 1 0.3 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 . 24 8.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 33 11.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 29 9.9 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 0 1 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 . 6 4 0 4 3 1 1 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 1EL S 0 0 63 0, 0.0 155,-0.2 0, 0.0 2,-0.1 0.000 360.0 360.0 360.0 70.9 16.9 13.9 26.0 2 1DL G - 0 0 28 151,-0.3 151,-0.2 153,-0.2 65,-0.1 -0.356 360.0 -39.8 87.1-157.2 16.1 13.1 22.3 3 1CL E S S- 0 0 68 149,-0.4 -1,-0.1 -2,-0.1 150,-0.1 0.987 72.2 -98.5 -71.2 -75.8 15.7 15.4 19.3 4 1BL A S S+ 0 0 71 147,-0.1 149,-0.1 -3,-0.1 -1,-0.0 -0.101 120.1 31.3 176.3 -43.0 13.8 18.7 20.0 5 1AL D S > S+ 0 0 73 147,-0.1 3,-1.6 242,-0.0 148,-0.1 0.159 99.2 151.6-115.0 9.0 10.2 18.3 18.9 6 1 L a T 3 + 0 0 4 1,-0.3 146,-0.2 146,-0.1 147,-0.1 0.054 55.8 11.9 -48.4 145.5 11.0 14.8 20.0 7 2 L G T 3 S+ 0 0 0 144,-2.2 241,-1.8 240,-0.2 2,-0.7 0.445 90.4 117.3 58.7 17.2 8.2 12.6 21.2 8 3 L L < - 0 0 30 -3,-1.6 -1,-0.1 143,-0.3 239,-0.1 -0.933 60.0-140.8-110.7 103.0 5.3 14.9 20.2 9 4 L R > > - 0 0 0 -2,-0.7 3,-2.1 1,-0.1 5,-1.9 -0.415 5.1-141.3 -68.3 126.1 3.2 13.0 17.6 10 5 L P T 3 5S+ 0 0 17 0, 0.0 -1,-0.1 0, 0.0 137,-0.1 0.909 103.8 40.4 -50.9 -44.5 1.8 15.0 14.7 11 6 L L T 3 5S+ 0 0 35 136,-0.5 -2,-0.1 33,-0.2 34,-0.1 0.380 130.7 20.4 -87.0 2.9 -1.5 13.0 14.7 12 7 L F T X>>S+ 0 0 15 -3,-2.1 5,-2.5 32,-0.1 3,-2.2 0.321 128.1 25.0-132.1 -91.4 -1.9 12.9 18.6 13 8 L E G >45S+ 0 0 24 1,-0.3 3,-1.5 3,-0.2 -5,-0.1 0.833 120.8 57.4 -42.8 -53.1 -0.1 15.3 21.0 14 9 L K G 34> - 0 0 1 -2,-0.3 3,-0.8 1,-0.1 4,-0.5 -0.386 35.9 -99.3 -80.8 158.8 -4.5 7.2 21.4 20 14AL K T 34 S+ 0 0 145 1,-0.2 -1,-0.1 2,-0.1 -2,-0.0 0.683 115.6 24.3 -61.7 -14.5 -6.8 4.4 22.5 21 14BL T T >> S+ 0 0 33 2,-0.1 3,-0.8 1,-0.1 4,-0.8 0.356 87.6 99.1-131.2 7.9 -4.5 3.0 25.3 22 14CL E H X> S+ 0 0 5 -3,-0.8 4,-1.6 1,-0.2 3,-1.1 0.865 77.1 66.6 -58.9 -42.3 -2.2 5.8 26.3 23 14DL R H 3X S+ 0 0 141 -4,-0.5 4,-2.1 1,-0.3 -1,-0.2 0.817 93.7 60.2 -46.5 -37.5 -4.5 6.5 29.4 24 14EL E H <> S+ 0 0 54 -3,-0.8 4,-0.5 1,-0.2 -1,-0.3 0.863 104.8 48.5 -60.2 -39.3 -3.4 3.0 30.8 25 14FL L H XX S+ 0 0 0 -3,-1.1 3,-1.1 -4,-0.8 4,-0.7 0.965 111.6 49.6 -64.0 -49.9 0.2 4.1 30.8 26 14GL L H >< S+ 0 0 24 -4,-1.6 6,-1.2 1,-0.3 3,-0.6 0.847 107.3 52.6 -59.1 -40.5 -0.7 7.4 32.6 27 14HL E H 3< S+ 0 0 76 -4,-2.1 -1,-0.3 4,-0.3 -2,-0.2 0.569 104.6 57.6 -75.1 -12.3 -2.8 5.7 35.3 28 14IL S H << S+ 0 0 19 -3,-1.1 2,-0.7 -4,-0.5 -1,-0.2 0.599 89.6 68.6 -90.9 -21.0 0.1 3.4 36.2 29 14JL Y S << S- 0 0 12 -4,-0.7 -1,-0.2 -3,-0.6 -3,-0.1 -0.384 142.1 -88.7 -94.0 45.2 2.3 6.5 36.8 30 14KL I S S- 0 0 141 -2,-0.7 -2,-0.2 -3,-0.1 -3,-0.2 0.901 90.9 -40.3 33.7 54.3 -0.2 6.4 39.6 31 14LL D S S- 0 0 100 -5,-0.4 -4,-0.3 -6,-0.2 -5,-0.1 0.897 85.3-107.3 66.8 108.2 -2.3 8.5 37.3 32 14ML G 0 0 27 -6,-1.2 -5,-0.0 -9,-0.2 210,-0.0 0.913 360.0 360.0 -18.6-149.5 -0.5 11.2 35.3 33 15 L R 0 0 259 209,-0.1 -1,-0.2 210,-0.0 -2,-0.1 -0.473 360.0 360.0 -79.4 360.0 -0.3 15.0 35.2 34 !* 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 35 16 H I 0 0 0 0, 0.0 2,-0.5 0, 0.0 3,-0.4 0.000 360.0 360.0 360.0 129.0 4.2 -9.1 19.7 36 17 H V B +A 228 0A 16 192,-2.7 192,-1.3 1,-0.2 143,-0.1 -0.941 360.0 0.6-108.6 119.7 2.1 -11.6 21.6 37 18 H E S S+ 0 0 124 -2,-0.5 -1,-0.2 141,-0.4 189,-0.1 0.826 103.5 127.8 72.7 35.2 -1.4 -10.7 22.8 38 19 H G - 0 0 25 -3,-0.4 2,-0.3 154,-0.1 154,-0.2 -0.159 50.8-122.5-101.8-160.5 -1.0 -7.2 21.3 39 20 H S E -B 191 0B 59 152,-1.9 152,-3.2 -2,-0.1 2,-0.0 -0.963 33.4 -80.9-146.5 159.8 -3.1 -5.1 19.0 40 21 H D E -B 190 0B 104 -2,-0.3 150,-0.3 150,-0.2 149,-0.1 -0.280 51.4-115.9 -61.2 139.0 -2.9 -3.3 15.7 41 22 H A - 0 0 6 148,-3.8 2,-0.2 59,-0.2 -1,-0.1 -0.382 28.0-118.4 -68.8 155.7 -1.1 0.1 16.0 42 23 H E > - 0 0 58 1,-0.1 3,-1.7 -2,-0.1 4,-0.3 -0.517 46.4 -79.4 -87.0 165.4 -3.3 3.1 15.1 43 24 H I T 3 S+ 0 0 93 1,-0.3 -1,-0.1 -2,-0.2 57,-0.1 -0.493 118.1 5.4 -69.2 136.0 -2.1 5.2 12.2 44 25 H G T 3 S+ 0 0 12 -2,-0.2 -1,-0.3 104,-0.1 -33,-0.2 0.640 92.4 126.7 64.9 15.6 0.7 7.6 13.3 45 26 H M S < S+ 0 0 4 -3,-1.7 -2,-0.1 1,-0.2 -36,-0.1 0.826 82.2 21.3 -68.8 -33.7 0.7 5.9 16.8 46 27 H S > + 0 0 16 -4,-0.3 3,-2.2 1,-0.1 -1,-0.2 -0.630 69.1 167.5-139.1 75.1 4.5 5.2 16.7 47 28 H P T 3 S+ 0 0 2 0, 0.0 103,-1.7 0, 0.0 -1,-0.1 0.606 75.6 58.9 -68.5 -12.6 6.1 7.5 14.2 48 29 H W T 3 S+ 0 0 3 101,-0.2 18,-2.3 103,-0.1 2,-0.3 0.392 76.8 120.9 -94.1 -2.7 9.6 6.7 15.3 49 30 H Q E < -K 65 0C 5 -3,-2.2 49,-1.0 16,-0.2 2,-0.3 -0.506 44.1-170.4 -69.2 131.7 9.1 3.0 14.5 50 31 H V E -KL 64 97C 0 14,-1.9 14,-1.3 -2,-0.3 2,-0.5 -0.920 16.2-138.8-118.9 143.7 11.7 1.9 12.0 51 32 H M E -KL 63 96C 0 45,-2.8 45,-2.5 -2,-0.3 2,-0.8 -0.932 10.0-145.1-110.6 125.7 11.9 -1.4 10.0 52 33 H L E -KL 62 95C 0 10,-3.4 9,-3.1 -2,-0.5 10,-0.7 -0.792 30.0-164.5 -90.5 114.7 15.4 -3.0 9.6 53 34 H F E -KL 60 94C 0 41,-4.0 41,-2.0 -2,-0.8 2,-0.6 -0.887 21.5-133.9-120.8 130.5 15.2 -4.5 6.1 54 35 H R E > -KL 59 93C 68 5,-4.6 5,-0.9 -2,-0.5 39,-0.2 -0.681 8.9-156.4 -82.2 114.7 17.2 -7.1 4.3 55 36 H K E 5S+K 58 0C 83 37,-1.1 3,-0.4 -2,-0.6 -1,-0.2 0.866 78.9 39.6 -54.1 -49.2 18.0 -6.0 0.7 56 36AH S T 5S+ 0 0 98 1,-0.5 -1,-0.2 36,-0.4 2,-0.2 -0.822 124.0 23.9-166.8 122.9 18.5 -9.7 -0.4 57 37 H P T 5S- 0 0 76 0, 0.0 -1,-0.5 0, 0.0 2,-0.5 0.448 107.8-129.8 -56.9 133.6 17.0 -12.0 0.4 58 38 H Q E 5 +K 55 0C 74 -3,-0.4 2,-0.3 -2,-0.2 -3,-0.3 -0.641 53.6 146.1 -60.8 109.6 14.6 -9.0 0.9 59 39 H E E < -K 54 0C 62 -5,-0.9 -5,-4.6 -2,-0.5 2,-0.6 -0.978 56.9-101.2-155.0 156.2 13.5 -9.8 4.5 60 40 H L E +K 53 0C 38 -2,-0.3 -7,-0.2 -7,-0.2 3,-0.1 -0.721 37.2 173.0 -77.7 115.6 12.5 -8.2 7.8 61 41 H L E - 0 0 25 -9,-3.1 2,-0.3 -2,-0.6 -1,-0.2 0.918 53.7 -42.8 -86.0 -58.4 15.5 -8.3 10.1 62 42 H b E -K 52 0C 2 -10,-0.7 -10,-3.4 171,-0.1 -1,-0.3 -0.910 53.9 -92.4-159.5 178.8 14.4 -6.3 13.2 63 43 H G E +K 51 0C 3 171,-3.0 12,-0.4 -2,-0.3 2,-0.3 -0.418 41.2 171.2 -94.9 174.2 12.6 -3.1 14.5 64 44 H A E -K 50 0C 0 -14,-1.3 -14,-1.9 -2,-0.2 2,-0.3 -0.864 21.9-119.2-167.3-178.1 14.6 0.1 15.3 65 45 H S E -KM 49 73C 0 8,-2.0 8,-3.2 -2,-0.3 2,-0.5 -0.995 11.3-123.8-149.6 145.9 13.8 3.6 16.2 66 46 H L E + M 0 72C 0 -18,-2.3 86,-2.1 -2,-0.3 6,-0.2 -0.744 26.9 169.1 -83.7 120.1 14.3 7.1 14.9 67 47 H I S S- 0 0 7 4,-2.3 2,-0.3 -2,-0.5 5,-0.2 0.407 72.2 -15.1-111.8 -4.9 16.0 9.5 17.3 68 48 H S S S- 0 0 16 3,-1.0 3,-0.5 -66,-0.1 -1,-0.4 -0.912 88.0 -75.4-177.1 178.5 16.7 12.4 14.8 69 49 H D S S+ 0 0 41 -2,-0.3 74,-2.2 1,-0.2 72,-0.1 0.521 130.5 28.3 -72.5 -6.0 16.7 12.9 11.1 70 50 H R S S+ 0 0 25 72,-0.2 69,-2.2 1,-0.1 2,-0.4 0.513 108.1 78.4-129.5 0.4 20.0 11.0 10.7 71 51 H W E - N 0 138C 0 -3,-0.5 -4,-2.3 67,-0.2 -3,-1.0 -0.925 47.3-174.9-125.3 136.1 20.1 8.5 13.6 72 52 H V E -MN 66 137C 0 65,-2.9 65,-2.8 -2,-0.4 2,-0.4 -0.974 12.9-149.4-123.9 138.1 18.5 5.2 14.2 73 53 H L E +MN 65 136C 0 -8,-3.2 -8,-2.0 -2,-0.4 2,-0.3 -0.916 28.4 150.1-108.4 133.7 18.7 3.1 17.4 74 54 H T E - N 0 135C 0 61,-3.0 61,-2.2 -2,-0.4 2,-0.4 -0.906 50.8 -81.3-152.0 175.5 18.6 -0.6 17.4 75 55 H A > - 0 0 0 -12,-0.4 3,-2.3 -2,-0.3 4,-0.5 -0.694 37.2-131.8 -78.9 127.5 19.8 -3.7 19.4 76 56 H A G >> S+ 0 0 0 -2,-0.4 4,-2.2 1,-0.3 3,-1.4 0.791 102.7 67.6 -51.9 -31.9 23.4 -4.7 18.4 77 57 H H G 34 S+ 0 0 1 1,-0.3 -1,-0.3 2,-0.2 9,-0.1 0.580 84.8 69.3 -70.8 -12.1 22.4 -8.3 17.9 78 58 H b G <4 S+ 0 0 0 -3,-2.3 -1,-0.3 -15,-0.1 -2,-0.2 0.793 114.8 27.6 -72.5 -28.0 20.3 -7.4 14.9 79 59 H L T <4 S+ 0 0 0 -3,-1.4 9,-2.5 -4,-0.5 2,-0.5 0.886 128.5 32.1 -93.3 -54.9 23.7 -6.6 13.1 80 60 H L E < +Q 87 0D 41 -4,-2.2 -1,-0.3 7,-0.3 7,-0.3 -0.927 55.4 140.1-117.1 118.0 26.2 -8.8 14.8 81 60AH Y E > > -Q 86 0D 15 5,-4.2 3,-2.3 -2,-0.5 5,-2.1 -0.583 20.8-174.3-153.8 80.7 25.6 -12.3 16.3 82 60BH P G > 5S+ 0 0 46 0, 0.0 3,-2.0 0, 0.0 -1,-0.1 0.759 79.9 64.5 -50.9 -38.4 28.5 -14.8 15.6 83 60CH P G 3 5S+ 0 0 72 0, 0.0 44,-0.0 0, 0.0 43,-0.0 0.739 113.0 36.9 -60.4 -23.3 26.9 -17.9 17.0 84 60DH W G < 5S- 0 0 155 -3,-2.3 3,-0.1 2,-0.1 -4,-0.0 0.183 117.8-113.2-108.6 7.9 24.3 -17.6 14.3 85 60EH D T < 5 + 0 0 151 -3,-2.0 2,-0.6 1,-0.2 -5,-0.0 0.719 67.0 149.4 63.3 29.1 26.8 -16.4 11.7 86 60FH K E < +Q 81 0D 41 -5,-2.1 -5,-4.2 -9,-0.1 -1,-0.2 -0.834 5.9 142.8 -97.3 125.6 25.1 -13.0 11.6 87 60GH N E -Q 80 0D 118 -2,-0.6 -7,-0.3 -7,-0.3 -8,-0.1 -0.424 28.2-167.9-156.7 72.7 27.3 -10.0 10.8 88 60HH F - 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