==== 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 05-MAR-98 1B5G . COMPND 2 MOLECULE: ALPHA-THROMBIN; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR R.ST CHARLES,A.TULINSKY,M.KAHN . 290 5 4 3 1 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12824.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 174 60.0 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 . 78 26.9 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 . 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 . 19 6.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 32 11.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 27 9.3 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 2 0 1 0 0 0 1 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 . 5 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 1CL E 0 0 114 0, 0.0 63,-0.1 0, 0.0 148,-0.0 0.000 360.0 360.0 360.0-127.4 15.5 16.3 20.0 2 1BL A + 0 0 71 147,-0.0 147,-0.0 0, 0.0 0, 0.0 0.272 360.0 30.0-152.1 -46.6 13.4 19.4 20.4 3 1AL D S > S+ 0 0 70 145,-0.1 3,-1.6 2,-0.0 146,-0.1 0.292 95.5 140.3-104.2 5.7 10.1 18.4 18.8 4 1 L a T 3 + 0 0 10 1,-0.2 144,-0.2 144,-0.1 3,-0.1 0.076 60.6 12.5 -52.2 154.9 10.7 14.8 19.9 5 2 L G T 3 S+ 0 0 0 142,-2.3 237,-1.0 236,-0.2 2,-0.6 0.440 90.1 114.6 55.6 9.6 8.0 12.6 21.2 6 3 L L < - 0 0 33 -3,-1.6 -1,-0.1 141,-0.2 235,-0.1 -0.943 61.7-140.8-107.8 113.1 5.1 14.8 20.2 7 4 L R > > - 0 0 0 -2,-0.6 5,-2.0 1,-0.1 3,-1.8 -0.571 6.5-139.6 -74.9 122.7 3.1 12.9 17.6 8 5 L P T 3 5S+ 0 0 20 0, 0.0 -1,-0.1 0, 0.0 135,-0.1 0.878 102.8 42.3 -52.6 -32.9 1.7 14.9 14.7 9 6 L L T 3 5S+ 0 0 32 134,-0.4 32,-0.1 31,-0.3 30,-0.0 0.371 129.8 16.4-100.1 8.0 -1.6 12.9 14.8 10 7 L F T X >S+ 0 0 15 -3,-1.8 5,-2.4 30,-0.1 3,-2.0 0.285 128.9 30.8-138.3 -84.5 -2.3 12.7 18.6 11 8 L E G > 5S+ 0 0 27 1,-0.3 3,-1.6 3,-0.2 -2,-0.1 0.805 118.9 52.6 -49.3 -55.4 -0.3 15.1 20.8 12 9 L K G 3 - 0 0 4 -2,-0.4 3,-0.9 1,-0.1 4,-0.4 -0.279 38.7-100.2 -74.2 166.7 -4.5 7.1 21.3 18 14AL K T 3 S+ 0 0 149 1,-0.2 -1,-0.1 2,-0.1 4,-0.1 0.617 113.5 26.8 -69.0 -7.4 -6.8 4.3 22.5 19 14BL T T 3> S+ 0 0 27 2,-0.1 4,-0.8 1,-0.1 3,-0.4 0.262 84.8 101.6-137.2 12.7 -4.6 2.9 25.3 20 14CL E H X> S+ 0 0 5 -3,-0.9 4,-1.9 1,-0.2 3,-0.6 0.840 75.5 66.7 -69.9 -25.3 -2.4 5.7 26.4 21 14DL R H 3> S+ 0 0 173 -4,-0.4 4,-3.6 1,-0.2 -1,-0.2 0.882 94.0 60.5 -53.4 -43.1 -4.7 6.2 29.5 22 14EL E H 34 S+ 0 0 50 -3,-0.4 4,-0.3 1,-0.2 -1,-0.2 0.867 106.4 45.4 -51.4 -47.7 -3.5 2.7 30.7 23 14FL L H XX S+ 0 0 0 -4,-0.8 3,-1.8 -3,-0.6 4,-0.7 0.965 115.3 45.1 -60.3 -64.4 0.1 4.0 30.8 24 14GL L H >< S+ 0 0 40 -4,-1.9 3,-0.9 1,-0.3 -2,-0.2 0.866 108.3 57.8 -51.2 -40.2 -0.7 7.3 32.5 25 14HL E T 3X S+ 0 0 105 -4,-3.6 4,-0.8 4,-0.4 -1,-0.3 0.604 103.7 55.0 -69.5 -7.7 -3.0 5.6 35.0 26 14IL S T <4 S+ 0 0 17 -3,-1.8 2,-1.6 -4,-0.3 -1,-0.2 0.583 83.7 74.7 -97.6 -21.6 -0.1 3.4 36.1 27 14JL Y T << S- 0 0 17 -3,-0.9 -1,-0.2 -4,-0.7 -3,-0.1 -0.332 145.6 -78.9 -82.9 38.5 2.4 6.2 36.9 28 14KL I T 4 0 0 132 -2,-1.6 -2,-0.3 1,-0.1 -3,-0.2 0.927 360.0 360.0 48.5 68.5 -0.2 5.9 39.6 29 14LL D < 0 0 145 -4,-0.8 -4,-0.4 -7,-0.1 -5,-0.1 0.965 360.0 360.0 52.3 360.0 -2.7 7.8 37.5 30 !* 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 31 16 H I 0 0 0 0, 0.0 2,-0.5 0, 0.0 3,-0.5 0.000 360.0 360.0 360.0 128.4 4.2 -9.1 19.7 32 17 H V B -A 222 0A 11 190,-2.9 190,-1.2 1,-0.2 143,-0.1 -0.808 360.0 -3.8-101.5 125.4 2.1 -11.5 21.6 33 18 H E S S+ 0 0 131 -2,-0.5 -1,-0.2 141,-0.4 187,-0.2 0.866 100.1 125.3 64.0 43.4 -1.4 -10.6 22.8 34 19 H G - 0 0 26 -3,-0.5 2,-0.3 152,-0.1 152,-0.2 -0.287 53.2-125.5-109.0-166.0 -1.2 -7.1 21.4 35 20 H S E -B 185 0B 67 150,-2.2 150,-2.2 -2,-0.1 2,-0.1 -0.894 37.1 -77.1-142.2 162.7 -3.5 -5.2 19.0 36 21 H D E -B 184 0B 103 -2,-0.3 148,-0.3 148,-0.2 2,-0.1 -0.431 51.7-117.8 -59.7 142.5 -3.0 -3.4 15.7 37 22 H A - 0 0 6 146,-2.7 2,-0.2 59,-0.1 -1,-0.1 -0.351 26.4-111.8 -79.4 160.4 -1.5 0.1 16.2 38 23 H E > - 0 0 61 1,-0.1 3,-1.7 -2,-0.1 2,-0.3 -0.510 45.4 -85.7 -84.0 155.2 -3.4 3.1 15.1 39 24 H I T 3 S+ 0 0 93 1,-0.3 -1,-0.1 -2,-0.2 57,-0.1 -0.583 118.4 13.8 -65.7 138.3 -2.1 5.1 12.1 40 25 H G T 3 S+ 0 0 11 -2,-0.3 -31,-0.3 104,-0.1 -1,-0.3 0.464 90.8 125.4 70.8 8.9 0.5 7.6 13.4 41 26 H M S < S+ 0 0 6 -3,-1.7 -2,-0.1 1,-0.3 -24,-0.1 0.786 82.7 16.7 -64.3 -42.7 0.7 5.9 16.8 42 27 H S > + 0 0 12 -4,-0.3 3,-2.8 102,-0.1 -1,-0.3 -0.621 68.1 173.6-133.1 79.0 4.5 5.3 16.9 43 28 H P T 3 S+ 0 0 2 0, 0.0 103,-2.2 0, 0.0 51,-0.1 0.546 78.3 61.6 -66.8 -8.5 6.0 7.6 14.3 44 29 H W T 3 S+ 0 0 3 101,-0.2 18,-2.4 103,-0.1 104,-0.1 0.619 74.4 121.3 -93.9 -6.8 9.4 6.6 15.4 45 30 H Q E < -J 61 0C 2 -3,-2.8 49,-1.0 16,-0.2 50,-0.4 -0.316 42.9-171.8 -64.3 123.6 8.9 2.9 14.5 46 31 H V E -JK 60 93C 0 14,-2.1 14,-1.0 47,-0.2 2,-0.5 -0.942 17.2-140.7-115.8 144.0 11.6 1.9 11.9 47 32 H M E -JK 59 92C 0 45,-2.7 45,-2.8 -2,-0.4 2,-0.7 -0.936 12.1-142.9-107.7 126.3 11.8 -1.5 10.0 48 33 H L E -JK 58 91C 0 10,-3.0 9,-3.4 -2,-0.5 10,-0.8 -0.828 30.0-163.1 -86.7 113.3 15.3 -2.9 9.6 49 34 H F E -JK 56 90C 0 41,-4.0 41,-3.0 -2,-0.7 2,-0.4 -0.895 18.2-143.0-121.0 127.8 15.2 -4.4 6.1 50 35 H R E > -JK 55 89C 72 5,-2.0 5,-1.0 -2,-0.5 39,-0.2 -0.693 4.5-155.7 -82.5 123.7 17.3 -6.9 4.3 51 36 H K T 5S+ 0 0 32 37,-1.2 3,-0.2 -2,-0.4 -1,-0.1 0.940 78.6 54.7 -67.8 -47.8 17.9 -6.3 0.6 52 36AH S T 5S+ 0 0 104 36,-0.4 -1,-0.2 1,-0.3 2,-0.2 -0.894 124.7 12.6-140.8 112.2 18.6 -10.0 -0.3 53 37 H P T 5S- 0 0 78 0, 0.0 2,-0.7 0, 0.0 -1,-0.3 0.636 103.8-126.8 -70.3 155.9 16.5 -11.9 0.5 54 38 H Q T 5 + 0 0 64 -2,-0.2 230,-0.3 -3,-0.2 2,-0.3 -0.709 55.6 134.9 -75.7 113.4 14.1 -9.0 1.1 55 39 H E E < -J 50 0C 65 -5,-1.0 -5,-2.0 -2,-0.7 2,-0.1 -0.966 61.8 -92.5-164.4 146.0 12.9 -9.6 4.7 56 40 H L E +J 49 0C 32 -2,-0.3 -7,-0.2 -7,-0.2 3,-0.1 -0.496 36.8 178.4 -61.8 129.2 12.2 -7.9 8.0 57 41 H L E - 0 0 31 -9,-3.4 2,-0.3 1,-0.4 169,-0.2 0.830 56.2 -42.2 -94.0 -53.1 15.4 -8.2 10.2 58 42 H b E -J 48 0C 8 -10,-0.8 -10,-3.0 169,-0.1 -1,-0.4 -0.958 56.9 -94.6-165.8 175.0 14.4 -6.3 13.3 59 43 H G E +J 47 0C 2 169,-3.9 12,-0.3 -2,-0.3 2,-0.3 -0.380 40.7 169.0 -94.4-178.6 12.6 -3.1 14.6 60 44 H A E -J 46 0C 0 -14,-1.0 -14,-2.1 10,-0.1 2,-0.3 -0.903 22.8-120.1-174.5 177.4 14.5 0.1 15.4 61 45 H S E -JL 45 69C 0 8,-1.8 8,-2.6 -2,-0.3 2,-0.6 -0.995 13.1-120.9-144.5 152.2 13.6 3.7 16.2 62 46 H L E + L 0 68C 0 -18,-2.4 86,-2.1 -2,-0.3 6,-0.2 -0.785 27.8 170.2 -87.2 124.6 14.2 7.2 14.9 63 47 H I S S- 0 0 11 4,-2.0 2,-0.3 -2,-0.6 -1,-0.2 0.547 73.8 -11.5-107.6 -19.0 15.9 9.5 17.5 64 48 H S S S- 0 0 23 3,-1.3 3,-0.5 -63,-0.1 -1,-0.2 -0.930 89.5 -77.1-163.6-176.8 16.5 12.3 15.0 65 49 H D S S+ 0 0 60 -2,-0.3 74,-2.7 1,-0.2 72,-0.1 0.636 128.8 27.9 -71.9 -9.9 16.4 12.9 11.3 66 50 H R S S+ 0 0 52 72,-0.2 69,-3.4 1,-0.1 2,-0.4 0.403 108.4 75.2-129.4 3.6 19.7 11.0 10.7 67 51 H W E - M 0 134C 4 -3,-0.5 -4,-2.0 67,-0.2 -3,-1.3 -0.973 47.9-173.6-128.3 132.3 20.0 8.5 13.5 68 52 H V E -LM 62 133C 0 65,-2.4 65,-2.1 -2,-0.4 2,-0.4 -0.953 12.7-150.5-118.8 141.7 18.3 5.2 14.2 69 53 H L E +LM 61 132C 0 -8,-2.6 -8,-1.8 -2,-0.4 2,-0.3 -0.883 28.4 148.2-111.1 133.7 18.7 3.2 17.4 70 54 H T E - M 0 131C 0 61,-2.4 61,-1.8 -2,-0.4 2,-0.4 -0.838 51.7 -74.3-148.6-173.6 18.4 -0.7 17.5 71 55 H A > - 0 0 0 -12,-0.3 3,-1.8 -2,-0.3 4,-0.3 -0.795 33.9-134.9 -86.0 135.1 19.8 -3.7 19.3 72 56 H A G >> S+ 0 0 0 -2,-0.4 4,-2.5 1,-0.3 3,-2.0 0.795 103.1 68.2 -60.1 -30.6 23.4 -4.6 18.4 73 57 H H G 34 S+ 0 0 11 1,-0.3 -1,-0.3 2,-0.2 9,-0.1 0.566 88.8 66.0 -69.3 -10.3 22.4 -8.3 18.2 74 58 H b G <4 S+ 0 0 5 -3,-1.8 -1,-0.3 2,-0.1 -2,-0.2 0.752 114.5 28.4 -79.2 -24.1 20.3 -7.3 15.1 75 59 H L T <4 S+ 0 0 0 -3,-2.0 9,-1.7 -4,-0.3 2,-0.4 0.830 130.9 28.4-102.3 -41.5 23.6 -6.5 13.3 76 60 H L E < +P 83 0D 41 -4,-2.5 -1,-0.3 7,-0.2 7,-0.2 -0.969 55.4 144.3-131.6 113.7 26.2 -8.9 14.9 77 60AH Y E > > -P 82 0D 27 5,-2.0 5,-2.1 -2,-0.4 3,-2.1 -0.671 21.9-173.1-147.8 79.5 25.4 -12.3 16.5 78 60BH P G > 5S+ 0 0 39 0, 0.0 3,-2.7 0, 0.0 -1,-0.1 0.844 77.4 68.2 -50.3 -40.4 28.3 -14.6 15.8 79 60CH P G 3 5S+ 0 0 70 0, 0.0 44,-0.0 0, 0.0 0, 0.0 0.654 111.6 34.6 -53.6 -21.0 26.7 -17.7 17.2 80 60DH W G < 5S- 0 0 126 -3,-2.1 3,-0.1 2,-0.1 0, 0.0 0.192 116.7-109.1-121.1 13.6 24.3 -17.6 14.3 81 60EH D T < 5 + 0 0 149 -3,-2.7 2,-0.5 1,-0.2 -5,-0.0 0.793 65.3 154.2 58.0 42.3 26.7 -16.2 11.7 82 60FH K E < +P 77 0D 82 -5,-2.1 -5,-2.0 1,-0.1 -1,-0.2 -0.859 1.4 146.3 -99.7 126.3 24.9 -12.8 11.7 83 60GH N E -P 76 0D 105 -2,-0.5 -7,-0.2 -7,-0.2 -8,-0.1 -0.022 21.7-174.3-160.1 61.7 27.1 -9.9 10.7 84 60HH F - 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