==== 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 2BLW . 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) . 9256.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 136 61.0 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 . 15 6.7 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 0.000 360.0 360.0 360.0 122.1 35.2 8.5 14.5 2 17 A V B +A 171 0A 9 169,-3.0 169,-2.0 1,-0.2 123,-0.1 -0.877 360.0 6.5-100.0 131.6 37.4 9.3 17.4 3 18 A G S S+ 0 0 47 121,-0.5 -1,-0.2 -2,-0.5 169,-0.1 0.687 102.7 117.5 75.8 20.3 39.1 6.4 19.3 4 19 A G - 0 0 35 -3,-0.3 2,-0.3 167,-0.1 134,-0.2 0.020 58.1-109.6 -99.0-155.5 37.9 3.8 16.9 5 20 A Y E -B 137 0B 99 132,-2.5 132,-2.7 -3,-0.1 2,-0.5 -0.929 34.7 -88.5-140.2 157.7 39.6 1.3 14.5 6 21 A T E -B 136 0B 72 -2,-0.3 130,-0.2 130,-0.2 129,-0.1 -0.605 36.6-151.6 -69.8 120.6 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 0.893 34.3-115.0 -61.1 -44.9 37.0 -1.3 9.8 8 23 A G > - 0 0 26 127,-0.5 3,-1.8 -3,-0.1 4,-0.3 0.008 46.4 -57.2 104.8 142.4 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 -0.241 117.6 -9.5 -61.7 126.7 37.5 -2.7 3.3 10 25 A N T 3 S+ 0 0 24 42,-0.4 -1,-0.3 2,-0.1 43,-0.1 0.655 91.5 124.6 63.3 22.9 33.9 -3.5 2.6 11 26 A T S < S+ 0 0 84 -3,-1.8 -2,-0.1 1,-0.2 -1,-0.1 0.555 74.8 50.0 -84.7 -7.2 33.3 -4.9 6.1 12 27 A V S > S+ 0 0 7 -4,-0.3 3,-1.9 87,-0.1 -1,-0.2 -0.770 74.5 175.8-127.4 75.0 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 0.616 72.1 54.7 -73.1 -13.6 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 0.447 82.4 109.3 -90.0 -8.7 25.6 -0.9 4.0 15 30 A Q E < -J 28 0C 5 -3,-1.9 36,-0.4 13,-0.2 37,-0.4 -0.603 47.9-176.0 -73.7 128.4 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 -0.844 21.1-136.8-120.0 158.8 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 -0.962 15.3-141.6-107.7 129.7 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,-1.0 -0.855 25.6-167.4 -91.3 125.8 27.2 11.1 0.4 19 34 A N E +JK 23 47C 18 28,-2.7 28,-2.7 -2,-0.5 4,-0.2 -0.956 31.5 166.8-124.3 130.7 29.2 13.1 -2.1 20 37 A S S S- 0 0 32 2,-2.2 3,-0.1 -2,-0.4 26,-0.1 -0.297 97.8 -46.5-128.8 45.5 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 0.216 140.6 28.2 103.8 -9.4 32.1 17.0 -5.0 22 39 A Y S S- 0 0 129 -4,-0.0 -2,-2.2 0, 0.0 2,-0.2 -0.927 102.2 -81.0-170.8 153.0 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 -0.518 51.6 158.1 -62.7 132.7 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 0.542 57.4 2.5-132.3 -16.0 30.1 15.3 3.5 25 42 A b E -J 18 0C 8 -7,-1.0 -7,-3.0 151,-0.1 -1,-0.4 -0.978 62.5-119.0-162.2 159.1 28.0 12.8 5.3 26 43 A G E +J 17 0C 1 151,-2.9 12,-0.4 -2,-0.3 2,-0.3 -0.428 27.3 177.5 -90.1 178.7 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 -0.952 24.4-117.0-168.4 175.8 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 -0.990 19.9-130.4-131.4 128.4 22.9 3.5 5.3 29 46 A L E + L 0 35C 0 -15,-2.4 74,-2.4 -2,-0.4 6,-0.2 -0.667 27.8 172.8 -77.2 121.6 21.6 1.5 2.4 30 47 A I E - 0 0 20 4,-2.6 2,-0.3 -2,-0.5 5,-0.2 0.583 66.9 -8.7-111.3 -13.3 18.3 -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 -0.924 89.1 -79.0-161.2-175.5 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 0.703 128.1 31.3 -65.1 -18.4 18.6 -1.4 -3.6 33 50 A Q T 3 S+ 0 0 75 60,-0.2 57,-3.0 1,-0.1 2,-0.4 0.491 110.2 66.8-113.0 -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 -0.956 48.2-167.9-135.8 138.3 17.0 3.8 -0.9 35 52 A V E -LM 29 88C 0 53,-2.6 53,-2.6 -2,-0.4 2,-0.4 -0.940 14.7-144.3-120.4 138.1 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 -0.871 35.4 148.1 -92.6 133.1 18.7 6.5 5.2 37 54 A S E - M 0 86C 0 49,-2.4 49,-2.2 -2,-0.4 2,-0.4 -0.803 49.7 -71.9-146.0-169.6 20.7 9.6 6.5 38 55 A A > - 0 0 0 -12,-0.4 3,-1.7 47,-0.3 47,-0.3 -0.760 31.2-133.9 -89.1 140.8 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 0.826 106.4 65.2 -58.9 -32.0 18.0 15.4 7.7 40 57 A H G 3 S+ 0 0 70 1,-0.3 -1,-0.3 41,-0.1 137,-0.0 0.648 93.8 62.2 -70.9 -9.3 20.8 17.9 8.7 41 58 A b G < S+ 0 0 5 -3,-1.7 -1,-0.3 -15,-0.1 -2,-0.2 0.414 78.0 132.0 -86.5 -1.0 22.8 16.3 5.8 42 59 A Y < + 0 0 131 -3,-2.1 2,-0.3 -4,-0.1 -3,-0.0 -0.230 19.8 135.8 -57.0 136.5 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 -0.947 50.8-102.8-163.7 163.6 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 -0.469 94.8 40.7 -81.4 162.4 20.7 19.1 -3.6 45 62 A G S S+ 0 0 67 1,-0.2 2,-0.4 -2,-0.1 -1,-0.2 0.876 74.0 170.8 71.7 38.7 23.1 17.3 -6.0 46 63 A I - 0 0 8 -3,-0.3 21,-2.8 -26,-0.1 2,-0.5 -0.679 20.5-163.8 -84.3 135.4 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 -0.976 16.8-141.0-110.8 126.4 25.8 11.4 -5.5 48 65 A V E -KN 18 65C 0 17,-2.8 17,-2.6 -2,-0.5 2,-0.6 -0.755 12.0-157.6 -87.7 128.3 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 13.9-179.0-115.3 111.4 28.8 6.3 -3.2 50 67 A L E + N 0 63C 2 13,-3.0 13,-1.9 -2,-0.6 -34,-0.1 -0.636 61.1 32.5-101.3 159.7 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 84.2 154.9 69.9 19.6 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 -0.575 22.1 150.5 -85.4 142.5 33.7 2.5 -0.6 53 71 A D S S+ 0 0 16 1,-0.4 2,-0.7 4,-0.3 -1,-0.2 0.380 81.7 29.9-119.1 -82.8 36.7 2.0 1.6 54 72 A N S > S- 0 0 29 80,-0.2 3,-1.1 1,-0.2 -1,-0.4 -0.682 72.9-160.0 -74.6 113.4 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 0.559 88.0 51.8 -74.6 -5.3 37.0 7.6 -0.4 56 74 A N T 3 S+ 0 0 123 77,-0.2 2,-0.4 1,-0.1 -1,-0.2 0.388 105.6 57.4-108.5 2.1 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 78.0-127.8-135.8 133.6 41.0 6.1 -4.3 58 76 A V + 0 0 116 -2,-0.4 -3,-0.1 1,-0.2 -6,-0.0 -0.732 34.4 171.1 -80.0 114.1 39.1 4.0 -6.8 59 77 A E - 0 0 97 -2,-0.7 -1,-0.2 -5,-0.2 -7,-0.0 0.556 51.6 -97.5-108.6 -13.4 39.7 0.5 -5.4 60 78 A G S S+ 0 0 60 -9,-0.0 -8,-0.1 0, 0.0 -2,-0.1 0.317 104.3 74.3 120.1 -5.5 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 0.338 66.3 122.1-115.8 8.6 34.1 -2.2 -5.5 62 80 A E - 0 0 34 -13,-0.0 2,-0.4 2,-0.0 -11,-0.2 -0.349 38.8-169.3 -71.0 149.3 32.5 1.3 -5.8 63 81 A Q E -N 50 0C 40 -13,-1.9 -13,-3.0 -2,-0.1 2,-0.6 -0.977 7.8-163.9-130.0 123.9 29.1 2.1 -7.2 64 82 A F E +N 49 0C 79 -2,-0.4 2,-0.4 -15,-0.2 -15,-0.2 -0.945 16.4 170.1-108.0 119.2 28.4 5.8 -7.7 65 83 A I E -N 48 0C 14 -17,-2.6 -17,-2.8 -2,-0.6 2,-0.1 -0.993 28.8-128.0-137.1 122.4 24.7 6.6 -8.2 66 84 A S E -N 47 0C 49 -2,-0.4 25,-2.8 -19,-0.3 26,-0.3 -0.398 28.3-111.7 -66.1 146.5 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 -0.551 22.2-168.3 -72.5 139.4 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 0.692 72.1 1.6 -93.3 -29.1 16.8 11.3 -7.8 69 87 A K E -O 89 0C 91 20,-1.1 20,-2.7 2,-0.0 2,-0.4 -0.981 56.6-153.6-159.1 146.0 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 -0.970 7.8-164.2-122.4 143.9 15.5 13.4 -1.1 71 89 A I E -O 87 0C 36 16,-2.9 16,-2.4 -2,-0.4 2,-0.2 -0.927 5.3-159.7-131.9 103.5 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 -0.605 42.5 -87.9 -74.0 143.7 13.5 15.1 4.8 73 91 A H > - 0 0 23 12,-2.2 3,-1.9 10,-0.3 -1,-0.1 -0.213 35.4-122.6 -53.1 139.5 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 0.771 110.0 40.2 -58.0 -27.1 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 0.172 79.2 143.5-110.7 17.5 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 -0.375 31.6-163.7 -58.5 131.5 12.4 17.7 11.2 77 95 A N > - 0 0 64 5,-2.2 4,-2.2 1,-0.1 5,-0.4 -0.962 7.9-163.8-119.2 111.1 13.4 20.7 13.3 78 96 A S T 4 S+ 0 0 77 -2,-0.5 -1,-0.1 1,-0.2 -2,-0.0 0.678 86.9 56.7 -71.6 -17.4 16.9 22.0 12.4 79 97 A N T 4 S+ 0 0 149 1,-0.1 -1,-0.2 3,-0.1 -2,-0.0 0.919 123.6 21.1 -76.7 -44.6 17.2 24.0 15.6 80 98 A T T 4 S- 0 0 72 2,-0.1 -2,-0.2 -3,-0.1 -1,-0.1 0.588 97.0-130.4 -96.1 -16.0 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 0.567 49.5 160.0 63.7 18.6 17.6 18.3 15.6 82 100 A N T 3 + 0 0 38 -5,-0.4 -5,-2.2 1,-0.2 -1,-0.3 -0.464 67.2 15.2 -65.7 135.5 14.3 16.5 16.5 83 101 A N T 3 S+ 0 0 17 -7,-0.2 2,-2.1 1,-0.2 -10,-0.3 0.904 79.4 179.3 64.2 47.4 13.5 14.0 13.8 84 102 A D < + 0 0 0 -3,-0.9 2,-0.3 75,-0.2 123,-0.2 -0.506 37.1 110.4 -82.5 74.8 16.9 14.2 12.2 85 103 A I + 0 0 0 -2,-2.1 -12,-2.2 -47,-0.3 2,-0.3 -0.994 37.0 174.1-149.4 141.7 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 -0.970 21.6-134.8-144.2 161.0 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 -0.933 13.9-163.1-114.7 142.0 15.5 9.3 2.9 88 106 A I E -MO 35 70C 0 -53,-2.6 -53,-2.6 -2,-0.4 2,-0.4 -0.995 7.8-150.7-127.1 125.8 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 -0.799 15.3-132.0 -97.6 136.5 16.3 7.6 -3.5 90 108 A L E - 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0 0 26 -88,-1.5 -72,-0.3 -2,-0.5 2,-0.1 -0.993 45.5-110.0-151.4 148.6 24.3 -4.8 0.9 102 120 A S - 0 0 56 -2,-0.3 2,-0.4 -72,-0.1 -72,-0.3 -0.446 26.6-131.9 -77.0 157.5 21.3 -3.4 2.7 103 121 A I - 0 0 14 -74,-2.4 83,-0.1 -89,-0.2 2,-0.1 -0.919 26.2-112.4-107.9 138.4 20.9 -3.2 6.4 104 122 A S B -c 186 0B 66 81,-0.7 83,-2.7 -2,-0.4 -73,-0.1 -0.381 23.8-123.8 -67.4 143.9 17.6 -4.4 8.0 105 123 A L - 0 0 33 81,-0.2 83,-0.1 -75,-0.2 -1,-0.1 -0.486 38.0 -99.2 -78.5 154.3 15.3 -1.9 9.8 106 124 A P - 0 0 5 0, 0.0 3,-0.1 0, 0.0 -1,-0.1 -0.375 20.1-160.9 -73.9 153.0 14.5 -2.7 13.4 107 125 A T S S+ 0 0 134 1,-0.3 2,-0.3 -2,-0.1 -2,-0.0 0.667 84.0 17.6-100.3 -23.2 11.3 -4.5 14.5 108 127 A S S S- 0 0 81 0, 0.0 -1,-0.3 0, 0.0 2,-0.1 -0.959 91.3 -95.9-139.0 163.7 11.8 -3.3 18.0 109 128 A c - 0 0 54 -2,-0.3 2,-0.1 -3,-0.1 79,-0.0 -0.407 40.2-116.2 -73.2 149.5 13.8 -0.6 19.7 110 129 A A - 0 0 28 78,-0.1 2,-0.3 -2,-0.1 -1,-0.1 -0.427 28.1-124.9 -83.2 162.5 17.2 -1.4 21.2 111 130 A S > - 0 0 82 -2,-0.1 3,-2.2 1,-0.1 31,-0.3 -0.793 29.9 -87.3-108.8 153.4 17.8 -1.1 24.9 112 132 A A T 3 S+ 0 0 57 -2,-0.3 31,-0.2 1,-0.2 3,-0.1 -0.276 114.8 36.8 -50.8 138.1 20.4 0.7 26.9 113 133 A G T 3 S+ 0 0 54 29,-2.8 -1,-0.2 1,-0.4 2,-0.2 0.081 83.6 129.6 98.0 -19.5 23.5 -1.5 27.3 114 134 A T < - 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