==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=28-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 08-MAR-05 2BLV . COMPND 2 MOLECULE: TRYPSIN; . SOURCE 2 ORGANISM_SCIENTIFIC: BOS TAURUS; . AUTHOR M.H.NANAO,R.B.RAVELLI . 223 1 6 6 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9249.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 134 60.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 2 0.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 69 30.9 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 1 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 1.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.4 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 . 14 6.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 21 9.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 15 6.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 0 0.0 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 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 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 . 3 2 2 5 2 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 ANTIPARALLEL BRIDGES PER LADDER . 0 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 16 A I 0 0 2 0, 0.0 2,-0.5 0, 0.0 3,-0.3 0.000 360.0 360.0 360.0 122.3 35.1 8.6 14.5 2 17 A V B +A 171 0A 9 169,-3.0 169,-2.1 1,-0.2 123,-0.1 -0.875 360.0 6.4 -99.6 130.8 37.4 9.3 17.4 3 18 A G S S+ 0 0 48 121,-0.5 -1,-0.2 -2,-0.5 169,-0.1 0.683 102.5 118.2 76.1 20.5 39.1 6.5 19.3 4 19 A G - 0 0 35 -3,-0.3 2,-0.3 167,-0.1 134,-0.2 0.026 57.7-110.0 -98.7-156.1 37.9 3.8 16.9 5 20 A Y E -B 137 0B 98 132,-2.5 132,-2.7 -3,-0.1 2,-0.5 -0.930 35.0 -88.3-139.6 157.3 39.6 1.3 14.6 6 21 A T E -B 136 0B 71 -2,-0.3 130,-0.2 130,-0.2 129,-0.1 -0.600 36.7-151.2 -69.1 121.0 40.0 0.8 10.8 7 22 A a - 0 0 17 128,-2.0 -1,-0.2 -2,-0.5 129,-0.1 0.899 34.5-114.4 -62.2 -43.7 37.0 -1.3 9.8 8 23 A G > - 0 0 25 127,-0.5 3,-1.8 -3,-0.1 4,-0.3 -0.010 46.5 -57.9 104.5 140.7 38.6 -3.1 6.9 9 24 A A T 3 S- 0 0 44 1,-0.3 44,-0.1 2,-0.1 43,-0.0 -0.250 117.6 -9.5 -61.3 127.0 37.5 -2.6 3.3 10 25 A N T 3 S+ 0 0 23 42,-0.4 -1,-0.3 2,-0.1 43,-0.1 0.660 91.6 124.8 62.5 23.8 33.9 -3.4 2.6 11 26 A T S < S+ 0 0 84 -3,-1.8 -2,-0.1 1,-0.2 -1,-0.1 0.551 74.7 50.0 -85.0 -6.9 33.3 -4.9 6.1 12 27 A V S > S+ 0 0 7 -4,-0.3 3,-2.0 87,-0.1 -1,-0.2 -0.760 74.5 175.7-127.7 74.8 30.4 -2.5 6.6 13 28 A P T 3 S+ 0 0 30 0, 0.0 88,-1.5 0, 0.0 38,-0.3 0.620 72.1 54.6 -73.5 -13.7 28.6 -3.1 3.3 14 29 A Y T 3 S+ 0 0 19 86,-0.2 15,-2.4 88,-0.1 2,-0.4 0.449 82.4 109.2 -90.0 -8.3 25.6 -0.9 4.0 15 30 A Q E < -J 28 0C 5 -3,-2.0 36,-0.4 13,-0.2 37,-0.4 -0.607 47.9-176.0 -74.3 127.6 27.7 2.2 4.7 16 31 A V E -J 27 0C 1 11,-2.5 11,-1.2 -2,-0.4 2,-0.5 -0.847 21.0-136.6-119.1 158.6 27.5 4.8 2.1 17 32 A S E -JK 26 49C 1 32,-2.3 32,-2.8 -2,-0.3 2,-0.5 -0.957 14.9-141.7-107.2 129.7 29.3 8.1 1.5 18 33 A L E -JK 25 48C 0 7,-3.0 6,-2.6 -2,-0.5 7,-0.9 -0.859 25.7-168.0 -91.0 126.3 27.2 11.1 0.4 19 34 A N E +JK 23 47C 17 28,-2.7 28,-2.7 -2,-0.5 4,-0.2 -0.954 31.3 166.9-125.2 131.1 29.2 13.1 -2.1 20 37 A S S S- 0 0 33 2,-2.3 3,-0.1 -2,-0.4 26,-0.1 -0.311 97.9 -46.3-129.1 45.4 28.7 16.6 -3.5 21 38 A G S S+ 0 0 69 26,-0.1 2,-0.3 1,-0.0 -2,-0.1 0.223 140.6 28.2 103.8 -9.6 32.1 17.0 -5.0 22 39 A Y S S- 0 0 130 -4,-0.0 -2,-2.3 0, 0.0 2,-0.2 -0.924 102.3 -81.0-170.7 153.1 33.5 15.7 -1.7 23 40 A H E +J 19 0C 36 -2,-0.3 -4,-0.2 -4,-0.2 3,-0.1 -0.510 51.6 158.2 -63.0 132.6 32.4 13.4 1.1 24 41 A F E + 0 0 33 -6,-2.6 2,-0.3 1,-0.4 151,-0.2 0.545 57.3 3.4-132.2 -15.2 30.1 15.3 3.4 25 42 A b E -J 18 0C 8 -7,-0.9 -7,-3.0 151,-0.1 -1,-0.4 -0.977 62.5-119.5-162.3 158.1 27.9 12.8 5.3 26 43 A G E +J 17 0C 0 151,-2.8 12,-0.4 -2,-0.3 2,-0.3 -0.436 27.4 177.8 -89.3 178.6 27.3 9.1 5.8 27 44 A G E -J 16 0C 0 -11,-1.2 -11,-2.5 -2,-0.2 2,-0.4 -0.951 24.2-117.9-167.8 175.9 24.2 7.1 5.2 28 45 A S E -JL 15 36C 0 8,-2.5 8,-2.8 -2,-0.3 2,-0.5 -0.989 19.9-130.4-131.3 128.0 22.9 3.5 5.3 29 46 A L E + L 0 35C 1 -15,-2.4 74,-2.4 -2,-0.4 6,-0.2 -0.668 27.6 173.0 -77.2 122.1 21.6 1.5 2.4 30 47 A I E - 0 0 19 4,-2.6 2,-0.3 -2,-0.5 5,-0.2 0.582 66.9 -8.4-111.0 -13.7 18.2 -0.0 3.3 31 48 A N E > S- L 0 34C 50 3,-1.2 3,-0.5 70,-0.1 -1,-0.3 -0.918 89.1 -79.0-161.2-175.7 17.2 -1.5 -0.0 32 49 A S T 3 S+ 0 0 42 -2,-0.3 62,-3.1 1,-0.2 60,-0.1 0.701 128.2 31.2 -64.9 -19.0 18.6 -1.5 -3.6 33 50 A Q T 3 S+ 0 0 75 60,-0.2 57,-3.0 1,-0.1 2,-0.4 0.479 110.2 67.1-113.1 -11.0 17.0 2.0 -4.2 34 51 A W E < -LM 31 89C 1 -3,-0.5 -4,-2.6 55,-0.2 -3,-1.2 -0.961 48.3-167.7-135.5 138.1 17.0 3.8 -0.9 35 52 A V E -LM 29 88C 0 53,-2.7 53,-2.6 -2,-0.4 2,-0.4 -0.940 14.6-144.5-119.7 138.1 19.4 5.3 1.7 36 53 A V E +LM 28 87C 0 -8,-2.8 -8,-2.5 -2,-0.4 2,-0.2 -0.867 35.6 147.8 -92.5 132.3 18.7 6.5 5.3 37 54 A S E - M 0 86C 0 49,-2.4 49,-2.2 -2,-0.4 2,-0.4 -0.802 49.8 -71.8-145.6-169.5 20.7 9.5 6.4 38 55 A A > - 0 0 0 -12,-0.4 3,-1.8 47,-0.3 47,-0.3 -0.765 31.1-134.1 -89.2 140.2 20.3 12.6 8.7 39 56 A A G > S+ 0 0 2 -2,-0.4 3,-2.1 1,-0.3 -1,-0.1 0.824 106.4 65.3 -58.9 -31.7 18.0 15.4 7.7 40 57 A H G 3 S+ 0 0 69 1,-0.3 -1,-0.3 41,-0.1 137,-0.0 0.642 93.5 62.5 -71.5 -8.7 20.8 17.9 8.7 41 58 A b G < S+ 0 0 4 -3,-1.8 -1,-0.3 -15,-0.1 -2,-0.2 0.412 78.0 132.5 -86.1 -0.1 22.8 16.3 5.8 42 59 A Y < + 0 0 132 -3,-2.1 2,-0.3 -4,-0.1 -3,-0.0 -0.234 19.6 135.7 -56.9 136.2 20.2 17.5 3.3 43 60 A K - 0 0 55 0, 0.0 3,-0.3 0, 0.0 2,-0.1 -0.948 50.8-103.6-164.0 163.0 21.5 19.3 0.1 44 61 A S S S+ 0 0 96 -2,-0.3 25,-0.0 1,-0.2 0, 0.0 -0.475 94.8 41.2 -81.1 162.5 20.7 19.1 -3.6 45 62 A G S S+ 0 0 66 1,-0.2 2,-0.4 -2,-0.1 -1,-0.2 0.864 74.2 170.8 72.2 38.1 23.1 17.4 -6.0 46 63 A I - 0 0 7 -3,-0.3 21,-2.8 -26,-0.1 2,-0.5 -0.665 20.3-164.4 -83.7 134.5 23.9 14.3 -4.0 47 64 A Q E -KN 19 66C 48 -28,-2.7 -28,-2.7 -2,-0.4 2,-0.5 -0.978 16.9-141.0-110.3 126.0 25.8 11.4 -5.5 48 65 A V E -KN 18 65C 0 17,-2.9 17,-2.6 -2,-0.5 2,-0.6 -0.758 11.8-157.3 -87.6 128.8 25.6 8.2 -3.3 49 66 A R E -KN 17 64C 50 -32,-2.8 -32,-2.3 -2,-0.5 3,-0.3 -0.939 14.0-178.7-115.5 111.4 28.8 6.3 -3.2 50 67 A L E + N 0 63C 2 13,-3.1 13,-1.9 -2,-0.6 -34,-0.1 -0.639 61.2 32.2-101.5 158.6 28.4 2.6 -2.3 51 69 A G S S+ 0 0 6 -36,-0.4 10,-0.3 -38,-0.3 2,-0.3 0.697 84.2 154.8 71.2 18.6 31.2 0.0 -1.9 52 70 A E + 0 0 9 -37,-0.4 -42,-0.4 -3,-0.3 -1,-0.2 -0.579 22.1 150.6 -84.6 142.7 33.7 2.6 -0.6 53 71 A D S S+ 0 0 16 1,-0.4 2,-0.7 4,-0.3 -1,-0.2 0.377 81.7 29.9-119.0 -83.2 36.7 2.0 1.6 54 72 A N S > S- 0 0 28 80,-0.2 3,-1.1 1,-0.2 -1,-0.4 -0.668 72.9-160.0 -74.4 113.4 39.2 4.7 0.7 55 73 A I T 3 S+ 0 0 29 78,-2.5 -1,-0.2 -2,-0.7 79,-0.1 0.558 87.9 52.0 -74.8 -5.2 37.0 7.6 -0.4 56 74 A N T 3 S+ 0 0 124 77,-0.2 2,-0.4 1,-0.1 -1,-0.2 0.383 105.5 57.4-107.6 1.2 39.9 9.2 -2.3 57 75 A V S < S- 0 0 76 -3,-1.1 2,-0.7 76,-0.1 -4,-0.3 -0.999 78.1-127.6-135.2 133.6 41.0 6.2 -4.3 58 76 A V + 0 0 117 -2,-0.4 -3,-0.1 1,-0.2 -6,-0.0 -0.729 34.5 171.2 -79.4 113.7 39.1 4.0 -6.8 59 77 A E - 0 0 96 -2,-0.7 -1,-0.2 -5,-0.2 -7,-0.0 0.552 51.5 -97.9-107.8 -13.8 39.7 0.5 -5.4 60 78 A G S S+ 0 0 59 -9,-0.0 -2,-0.1 0, 0.0 -8,-0.1 0.311 104.2 74.5 120.0 -6.5 37.3 -1.6 -7.5 61 79 A N + 0 0 67 -10,-0.3 -9,-0.1 38,-0.0 2,-0.1 0.341 66.4 122.1-115.5 8.8 34.1 -2.1 -5.5 62 80 A E - 0 0 34 -13,-0.0 2,-0.4 2,-0.0 -11,-0.2 -0.341 38.8-169.5 -72.0 150.0 32.5 1.3 -5.8 63 81 A Q E -N 50 0C 41 -13,-1.9 -13,-3.1 -2,-0.1 2,-0.6 -0.978 7.7-164.1-130.2 123.6 29.1 2.1 -7.2 64 82 A F E +N 49 0C 78 -2,-0.4 2,-0.4 -15,-0.2 -15,-0.2 -0.947 16.4 169.8-107.9 119.0 28.4 5.8 -7.7 65 83 A I E -N 48 0C 15 -17,-2.6 -17,-2.9 -2,-0.6 2,-0.1 -0.993 28.9-127.7-137.0 122.3 24.7 6.6 -8.2 66 84 A S E -N 47 0C 48 -2,-0.4 25,-2.8 -19,-0.3 26,-0.3 -0.409 28.4-111.4 -65.5 146.0 23.1 10.0 -8.3 67 85 A A E -O 90 0C 19 -21,-2.8 23,-0.3 23,-0.2 3,-0.1 -0.538 22.5-168.4 -72.4 139.0 20.1 10.7 -6.1 68 86 A S E S+ 0 0 67 21,-2.7 2,-0.3 1,-0.4 22,-0.2 0.696 72.2 1.8 -93.2 -28.3 16.8 11.3 -7.8 69 87 A K E -O 89 0C 92 20,-1.1 20,-2.7 2,-0.0 2,-0.4 -0.983 56.6-153.7-159.5 145.5 14.9 12.6 -4.8 70 88 A S E -O 88 0C 38 -2,-0.3 2,-0.4 18,-0.2 18,-0.2 -0.968 7.7-164.2-121.8 144.4 15.5 13.4 -1.1 71 89 A I E -O 87 0C 35 16,-2.9 16,-2.4 -2,-0.4 2,-0.2 -0.927 5.3-159.7-132.3 103.4 12.8 13.4 1.5 72 90 A V E -O 86 0C 47 -2,-0.4 14,-0.2 14,-0.2 12,-0.1 -0.597 42.6 -87.8 -74.3 143.0 13.5 15.1 4.8 73 91 A H > - 0 0 24 12,-2.2 3,-1.9 10,-0.3 -1,-0.1 -0.217 35.4-122.5 -52.1 139.7 11.2 14.0 7.7 74 92 A P T 3 S+ 0 0 101 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.777 110.2 39.8 -58.1 -27.5 8.0 16.0 7.8 75 93 A S T 3 S+ 0 0 73 8,-0.1 2,-0.1 2,-0.1 -2,-0.1 0.161 79.3 143.7-110.8 18.3 8.7 17.1 11.3 76 94 A Y < - 0 0 55 -3,-1.9 2,-0.5 9,-0.1 7,-0.2 -0.382 31.5-163.6 -58.8 131.5 12.4 17.7 11.2 77 95 A N > - 0 0 64 5,-2.2 4,-2.2 -2,-0.1 5,-0.5 -0.965 7.9-164.0-118.9 110.5 13.4 20.7 13.3 78 96 A S T 4 S+ 0 0 78 -2,-0.5 -1,-0.1 1,-0.2 -2,-0.0 0.679 86.8 56.7 -72.1 -17.3 16.9 22.0 12.4 79 97 A N T 4 S+ 0 0 150 1,-0.1 -1,-0.2 3,-0.1 -2,-0.0 0.922 123.7 21.1 -76.6 -44.5 17.2 24.0 15.6 80 98 A T T 4 S- 0 0 73 2,-0.1 -2,-0.2 -3,-0.0 -1,-0.1 0.588 97.2-130.5 -96.0 -16.1 16.6 21.1 18.0 81 99 A L >< + 0 0 32 -4,-2.2 3,-0.9 1,-0.3 2,-0.2 0.576 49.3 160.1 64.2 18.8 17.6 18.3 15.6 82 100 A N T 3 + 0 0 38 -5,-0.5 -5,-2.2 1,-0.3 -1,-0.3 -0.474 67.2 15.3 -65.5 135.5 14.4 16.5 16.5 83 101 A N T 3 S+ 0 0 17 -7,-0.2 2,-2.0 1,-0.2 -10,-0.3 0.904 79.4 179.1 64.0 48.1 13.5 14.0 13.8 84 102 A D < + 0 0 1 -3,-0.9 2,-0.3 75,-0.2 123,-0.2 -0.496 37.2 110.4 -83.6 75.3 16.9 14.2 12.2 85 103 A I + 0 0 0 -2,-2.0 -12,-2.2 -47,-0.3 2,-0.3 -0.996 37.1 174.2-149.9 141.6 16.3 11.7 9.5 86 104 A M E -MO 37 72C 0 -49,-2.2 -49,-2.4 -2,-0.3 2,-0.4 -0.969 21.6-134.8-144.3 160.9 15.9 11.7 5.7 87 105 A L E -MO 36 71C 0 -16,-2.4 -16,-2.9 -2,-0.3 2,-0.4 -0.934 14.1-163.3-114.9 141.7 15.5 9.3 2.9 88 106 A I E -MO 35 70C 0 -53,-2.6 -53,-2.7 -2,-0.4 2,-0.4 -0.996 8.0-150.5-127.4 125.6 17.4 9.5 -0.4 89 107 A K E -MO 34 69C 39 -20,-2.7 -21,-2.7 -2,-0.4 -20,-1.1 -0.800 15.1-132.0 -97.2 136.8 16.3 7.6 -3.5 90 108 A L E - 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