==== 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 04-OCT-99 1D4P . COMPND 2 MOLECULE: ALPHA-THROMBIN; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR N.Y.CHIRGADZE . 290 4 4 3 1 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13365.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 175 60.3 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 26.2 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 7.2 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 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 6 A E > 0 0 103 0, 0.0 3,-1.0 0, 0.0 62,-0.0 0.000 360.0 360.0 360.0 148.5 -20.7 -2.8 19.1 2 7 A A T 3 + 0 0 86 1,-0.2 0, 0.0 0, 0.0 0, 0.0 0.936 360.0 25.1 -60.6 -52.5 -22.8 0.3 19.9 3 8 A D T > S+ 0 0 51 3,-0.0 3,-1.4 144,-0.0 -1,-0.2 -0.060 88.6 151.7-106.1 35.5 -26.2 -1.4 19.4 4 9 A a T < + 0 0 15 -3,-1.0 143,-0.2 1,-0.2 144,-0.1 -0.244 63.9 19.2 -61.4 150.4 -25.1 -5.0 20.0 5 10 A G T 3 S+ 0 0 0 141,-2.6 237,-1.3 236,-0.2 2,-0.6 0.502 92.4 113.1 70.0 2.6 -27.7 -7.3 21.4 6 11 A L < - 0 0 38 -3,-1.4 -1,-0.2 140,-0.3 235,-0.1 -0.943 60.9-142.7-109.1 113.3 -30.8 -5.2 20.4 7 12 A R > > - 0 0 0 -2,-0.6 5,-2.0 1,-0.1 3,-1.4 -0.616 6.4-140.0 -81.9 128.9 -32.7 -7.0 17.6 8 13 A P T 3 5S+ 0 0 18 0, 0.0 -1,-0.1 0, 0.0 134,-0.1 0.883 103.1 43.6 -49.4 -45.4 -34.3 -4.9 14.8 9 14 A L T 3 5S+ 0 0 31 133,-0.5 31,-0.1 30,-0.3 133,-0.0 0.520 129.7 19.8 -83.7 -4.1 -37.5 -7.0 14.8 10 15 A F T X>>S+ 0 0 15 -3,-1.4 5,-2.5 29,-0.1 3,-1.5 0.514 126.9 26.0-125.4 -85.4 -37.9 -7.1 18.5 11 16 A E G >45S+ 0 0 26 1,-0.3 3,-1.3 3,-0.2 -2,-0.1 0.878 119.8 55.6 -52.5 -45.2 -36.2 -4.7 21.0 12 17 A K G 34> S+ 0 0 29 1,-0.1 3,-1.9 2,-0.1 4,-0.8 0.455 85.9 102.5-125.1 4.7 -40.5 -17.2 25.2 20 25 A E H 3> S+ 0 0 6 -3,-0.4 4,-2.2 1,-0.3 3,-0.4 0.797 76.3 68.1 -61.3 -24.8 -38.2 -14.4 26.5 21 26 A R H 3> S+ 0 0 144 -4,-0.4 4,-2.7 1,-0.2 -1,-0.3 0.819 92.7 61.4 -60.5 -30.9 -40.5 -13.8 29.4 22 27 A E H <> S+ 0 0 51 -3,-1.9 4,-0.7 2,-0.2 -1,-0.2 0.919 106.1 44.8 -61.3 -45.1 -39.4 -17.3 30.6 23 28 A L H >X S+ 0 0 0 -4,-0.8 3,-1.5 -3,-0.4 4,-0.8 0.974 114.6 47.1 -62.9 -55.1 -35.8 -16.1 30.8 24 29 A L H >< S+ 0 0 47 -4,-2.2 3,-1.1 1,-0.3 -2,-0.2 0.887 107.8 57.0 -56.6 -40.3 -36.6 -12.8 32.5 25 30 A E H 3< S+ 0 0 138 -4,-2.7 -1,-0.3 1,-0.3 -2,-0.2 0.690 102.4 56.1 -66.7 -17.4 -38.9 -14.5 35.0 26 31 A S H << S+ 0 0 17 -3,-1.5 2,-1.6 -4,-0.7 -1,-0.3 0.693 82.9 92.1 -87.4 -17.4 -36.0 -16.8 36.2 27 32 A Y << 0 0 27 -3,-1.1 -1,-0.1 -4,-0.8 135,-0.0 -0.564 360.0 360.0 -80.2 86.3 -33.8 -13.8 37.1 28 33 A I 0 0 173 -2,-1.6 -2,-0.1 0, 0.0 -3,-0.1 -0.480 360.0 360.0 -65.0 360.0 -34.7 -13.4 40.8 29 !* 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 30 37 B I 0 0 0 0, 0.0 2,-0.5 0, 0.0 3,-0.3 0.000 360.0 360.0 360.0 133.7 -31.4 -28.9 19.6 31 38 B V B -A 222 0A 11 191,-3.2 191,-1.3 1,-0.2 143,-0.1 -0.894 360.0 -1.6-108.5 127.3 -33.5 -31.5 21.4 32 39 B E S S+ 0 0 130 -2,-0.5 -1,-0.2 141,-0.5 188,-0.1 0.830 101.4 121.9 68.9 32.8 -37.0 -30.8 22.6 33 40 B G - 0 0 29 -3,-0.3 2,-0.3 153,-0.1 153,-0.2 -0.097 54.1-121.5-103.7-153.8 -36.9 -27.2 21.4 34 41 B S E -B 185 0B 54 151,-1.8 151,-2.3 -2,-0.1 2,-0.0 -0.950 34.8 -75.2-149.2 166.1 -39.2 -25.3 19.0 35 42 B D E -B 184 0B 106 -2,-0.3 149,-0.2 149,-0.2 2,-0.2 -0.377 51.8-123.0 -63.0 141.4 -38.9 -23.4 15.7 36 43 B A - 0 0 6 147,-2.6 2,-0.1 59,-0.1 -1,-0.1 -0.537 23.7-111.0 -83.9 154.3 -37.4 -19.9 16.2 37 44 B E > - 0 0 67 -2,-0.2 3,-1.7 1,-0.1 4,-0.3 -0.452 48.3 -82.5 -77.9 159.0 -39.3 -16.8 15.1 38 45 B I T 3 S+ 0 0 86 1,-0.3 -1,-0.1 2,-0.1 57,-0.1 -0.383 116.7 7.6 -61.3 136.9 -38.0 -14.9 12.1 39 46 B G T 3 S+ 0 0 13 2,-0.1 -30,-0.3 55,-0.1 -1,-0.3 0.603 90.1 127.4 65.3 11.5 -35.1 -12.5 13.3 40 47 B M S < S+ 0 0 5 -3,-1.7 -2,-0.1 1,-0.3 -1,-0.1 0.749 82.7 23.4 -68.9 -27.8 -35.2 -14.0 16.8 41 48 B S > + 0 0 13 -4,-0.3 3,-2.0 102,-0.1 -1,-0.3 -0.587 68.3 168.1-139.8 73.3 -31.4 -14.7 16.7 42 49 B P T 3 S+ 0 0 1 0, 0.0 103,-1.5 0, 0.0 51,-0.2 0.612 77.6 59.0 -65.7 -11.3 -29.9 -12.3 14.2 43 50 B W T 3 S+ 0 0 1 101,-0.2 18,-1.9 103,-0.1 2,-0.1 0.498 77.5 118.1 -93.9 -6.7 -26.4 -13.2 15.5 44 51 B Q E < -J 60 0C 4 -3,-2.0 49,-0.9 16,-0.2 2,-0.3 -0.400 45.0-170.9 -64.9 131.9 -26.8 -16.9 14.7 45 52 B V E -JK 59 92C 0 14,-2.3 14,-1.2 47,-0.1 2,-0.5 -0.919 15.7-141.3-125.2 151.1 -24.3 -18.1 12.1 46 53 B M E -JK 58 91C 0 45,-2.2 45,-2.7 -2,-0.3 2,-0.7 -0.948 9.5-143.9-113.4 130.8 -23.9 -21.3 10.2 47 54 B L E -JK 57 90C 0 10,-3.1 9,-3.1 -2,-0.5 10,-1.0 -0.856 27.0-167.7 -93.0 115.9 -20.5 -22.9 9.6 48 55 B F E -JK 55 89C 0 41,-3.3 41,-3.3 -2,-0.7 2,-0.3 -0.921 16.5-135.9-115.6 127.9 -20.9 -24.4 6.1 49 56 B R E > -JK 54 88C 73 5,-3.0 5,-0.9 -2,-0.5 39,-0.2 -0.640 10.4-144.2 -81.4 132.2 -18.4 -26.9 4.4 50 57 B K T 5S+ 0 0 31 37,-1.9 3,-0.4 -2,-0.3 -1,-0.1 0.933 79.0 40.5 -59.8 -54.7 -17.6 -26.1 0.8 51 58 B S T 5S+ 0 0 93 1,-0.5 -1,-0.2 36,-0.4 2,-0.1 -0.910 123.0 24.2-153.1 119.9 -17.3 -29.7 -0.5 52 59 B P T 5S- 0 0 78 0, 0.0 -1,-0.5 0, 0.0 2,-0.4 0.454 103.9-130.5 -72.4 138.9 -19.1 -31.8 0.3 53 60 B Q T 5 + 0 0 61 -3,-0.4 231,-0.4 -2,-0.1 2,-0.3 -0.430 53.2 133.2 -61.6 115.0 -21.6 -29.0 1.0 54 61 B E E < -J 49 0C 76 -5,-0.9 -5,-3.0 -2,-0.4 2,-0.4 -0.981 60.9 -89.8-159.0 163.4 -22.9 -29.6 4.6 55 62 B L E +J 48 0C 36 -2,-0.3 -7,-0.2 -7,-0.2 3,-0.1 -0.664 37.7 174.1 -80.0 130.5 -23.5 -28.0 7.9 56 63 B L E - 0 0 25 -9,-3.1 2,-0.3 1,-0.4 170,-0.2 0.822 54.3 -42.6-102.0 -47.6 -20.5 -28.2 10.2 57 64 B b E -J 47 0C 3 -10,-1.0 -10,-3.1 170,-0.1 -1,-0.4 -0.961 54.9 -90.2-168.4 178.8 -21.5 -26.2 13.3 58 65 B G E +J 46 0C 2 170,-3.2 12,-0.4 -2,-0.3 2,-0.3 -0.415 38.1 170.8 -96.8 177.9 -23.1 -23.1 14.7 59 66 B A E -J 45 0C 0 -14,-1.2 -14,-2.3 -2,-0.1 2,-0.3 -0.925 22.4-123.0-170.8 179.2 -21.3 -19.8 15.4 60 67 B S E -JL 44 68C 0 8,-2.0 8,-2.8 -2,-0.3 2,-0.6 -0.994 15.1-124.5-143.1 147.1 -22.2 -16.2 16.4 61 68 B L E + L 0 67C 0 -18,-1.9 86,-2.1 -2,-0.3 6,-0.2 -0.821 28.2 170.4 -94.2 122.4 -21.6 -12.7 15.0 62 69 B I - 0 0 13 4,-2.3 2,-0.3 -2,-0.6 5,-0.1 0.491 68.3 -9.2-109.1 -4.6 -19.9 -10.4 17.4 63 70 B S S S- 0 0 22 3,-0.9 3,-0.3 85,-0.1 -1,-0.2 -0.934 89.4 -75.6-171.1-179.8 -19.1 -7.5 15.1 64 71 B D S S+ 0 0 67 -2,-0.3 74,-2.1 1,-0.2 72,-0.1 0.644 129.2 22.9 -68.7 -13.2 -19.2 -6.7 11.3 65 72 B R S S+ 0 0 56 72,-0.2 69,-2.6 1,-0.1 2,-0.4 0.389 107.8 79.0-133.8 5.9 -16.1 -8.8 10.7 66 73 B W E - M 0 133C 17 -3,-0.3 -4,-2.3 67,-0.2 -3,-0.9 -0.963 48.0-169.9-125.1 132.7 -15.7 -11.3 13.6 67 74 B V E -LM 61 132C 0 65,-2.4 65,-2.1 -2,-0.4 2,-0.4 -0.929 11.9-148.6-117.6 139.5 -17.4 -14.7 14.2 68 75 B L E +LM 60 131C 0 -8,-2.8 -8,-2.0 -2,-0.4 2,-0.2 -0.897 30.3 144.9-109.3 136.6 -17.2 -16.7 17.4 69 76 B T E - M 0 130C 0 61,-2.3 61,-2.1 -2,-0.4 2,-0.4 -0.855 49.9 -73.8-152.6-175.6 -17.4 -20.5 17.5 70 77 B A > - 0 0 0 -12,-0.4 3,-1.5 -2,-0.2 4,-0.4 -0.766 31.8-138.3 -92.3 134.6 -16.1 -23.7 19.1 71 78 B A G >> S+ 0 0 0 -2,-0.4 4,-3.1 1,-0.3 3,-1.9 0.861 101.3 63.6 -58.1 -37.8 -12.5 -24.7 18.4 72 79 B H G 34 S+ 0 0 30 1,-0.3 -1,-0.3 2,-0.2 9,-0.0 0.652 90.0 69.2 -66.1 -10.2 -13.5 -28.4 18.1 73 80 B b G <4 S+ 0 0 1 -3,-1.5 -1,-0.3 1,-0.1 -2,-0.2 0.753 116.7 23.2 -74.5 -25.2 -15.7 -27.4 15.1 74 81 B L T <4 S+ 0 0 0 -3,-1.9 9,-2.2 -4,-0.4 2,-0.5 0.750 130.0 36.9-108.4 -37.0 -12.5 -26.7 13.2 75 82 B L E < +P 82 0D 34 -4,-3.1 -1,-0.3 7,-0.2 7,-0.2 -0.955 53.4 136.2-130.0 115.9 -9.8 -28.8 15.0 76 83 B Y E > > -P 81 0D 58 5,-2.3 3,-2.0 -2,-0.5 5,-1.9 -0.565 23.7-172.4-155.2 84.9 -10.2 -32.3 16.5 77 84 B P G > 5S+ 0 0 45 0, 0.0 3,-2.4 0, 0.0 -1,-0.1 0.743 79.1 68.9 -48.8 -37.5 -7.3 -34.6 15.7 78 85 B P G 3 5S+ 0 0 70 0, 0.0 44,-0.0 0, 0.0 43,-0.0 0.754 110.9 36.4 -59.1 -20.4 -8.9 -37.8 17.2 79 86 B W G < 5S- 0 0 183 -3,-2.0 3,-0.1 2,-0.1 -3,-0.0 0.079 118.3-112.9-114.6 18.4 -11.4 -37.6 14.3 80 87 B D T < 5 + 0 0 154 -3,-2.4 2,-0.6 1,-0.2 -5,-0.0 0.803 64.3 155.6 53.7 33.5 -8.7 -36.3 11.8 81 88 B K E < +P 76 0D 50 -5,-1.9 -5,-2.3 1,-0.0 -1,-0.2 -0.816 5.3 145.5 -95.3 123.4 -10.6 -33.0 11.7 82 89 B N E -P 75 0D 112 -2,-0.6 2,-0.2 -7,-0.2 -7,-0.2 -0.430 20.4-177.3-158.1 75.7 -8.5 -30.0 10.7 83 90 B F - 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