==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-JAN-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 05-OCT-09 3A7W . COMPND 2 MOLECULE: CATIONIC TRYPSIN; . SOURCE 2 ORGANISM_SCIENTIFIC: BOS TAURUS; . AUTHOR J.YAMANE,M.YAO,I.TANAKA . 223 1 6 6 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9280.0 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 . 14 6.3 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 1 0 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 19 A I 0 0 2 0, 0.0 2,-0.5 0, 0.0 3,-0.3 0.000 360.0 360.0 360.0 121.8 -8.0 -8.6 14.5 2 20 A V B +A 171 0A 8 169,-2.9 169,-1.9 1,-0.2 123,-0.1 -0.864 360.0 5.1-100.0 131.3 -10.3 -9.4 17.5 3 21 A G S S+ 0 0 46 121,-0.6 -1,-0.2 -2,-0.5 169,-0.1 0.711 103.2 115.8 73.8 22.3 -12.0 -6.6 19.3 4 22 A G - 0 0 36 -3,-0.3 2,-0.3 167,-0.1 134,-0.2 0.010 58.5-108.2-101.1-152.4 -10.8 -3.9 17.0 5 23 A Y E -B 137 0B 98 132,-2.6 132,-3.1 -3,-0.1 2,-0.5 -0.939 34.5 -86.4-142.1 160.2 -12.5 -1.4 14.6 6 24 A T E -B 136 0B 74 -2,-0.3 130,-0.2 130,-0.2 129,-0.1 -0.592 37.1-151.9 -69.0 118.8 -12.9 -0.8 10.9 7 25 A a - 0 0 18 128,-2.1 -1,-0.2 -2,-0.5 129,-0.1 0.904 35.6-113.0 -59.2 -44.8 -9.9 1.2 9.9 8 26 A G > - 0 0 25 127,-0.5 3,-1.9 -3,-0.1 4,-0.3 -0.013 46.6 -58.8 106.4 136.5 -11.5 3.1 7.0 9 27 A A T 3 S- 0 0 55 1,-0.3 44,-0.1 2,-0.1 43,-0.1 -0.254 118.0 -10.6 -54.1 124.7 -10.5 2.6 3.3 10 28 A N T 3 S+ 0 0 27 42,-0.4 -1,-0.3 2,-0.1 43,-0.1 0.659 92.3 125.0 60.5 24.6 -6.8 3.3 2.6 11 29 A T S < S+ 0 0 85 -3,-1.9 -2,-0.1 1,-0.2 -1,-0.1 0.537 75.0 50.1 -85.0 -9.6 -6.2 4.9 6.1 12 30 A V S > S+ 0 0 8 -4,-0.3 3,-2.0 87,-0.1 -1,-0.2 -0.717 74.4 174.9-124.3 74.5 -3.3 2.4 6.6 13 31 A P T 3 S+ 0 0 31 0, 0.0 88,-1.5 0, 0.0 38,-0.3 0.606 72.1 55.3 -71.3 -11.8 -1.5 3.0 3.3 14 32 A Y T 3 S+ 0 0 18 86,-0.2 15,-2.4 88,-0.1 2,-0.4 0.489 82.1 110.1 -91.4 -7.8 1.5 0.8 4.1 15 33 A Q E < -J 28 0C 5 -3,-2.0 36,-0.4 13,-0.2 37,-0.4 -0.570 48.6-174.6 -74.4 123.9 -0.7 -2.2 4.8 16 34 A V E -J 27 0C 1 11,-2.6 11,-1.0 -2,-0.4 2,-0.5 -0.827 20.0-139.7-114.5 156.9 -0.4 -4.9 2.1 17 35 A S E -JK 26 49C 1 32,-2.3 32,-3.0 -2,-0.3 2,-0.5 -0.967 15.0-142.6-109.1 131.1 -2.2 -8.2 1.5 18 36 A L E -JK 25 48C 0 7,-3.2 6,-2.5 -2,-0.5 7,-1.0 -0.868 24.4-167.1 -92.5 127.4 -0.1 -11.2 0.4 19 37 A N E +JK 23 47C 18 28,-2.9 28,-2.6 -2,-0.5 4,-0.2 -0.951 31.6 166.3-125.4 129.3 -2.2 -13.2 -2.1 20 38 A S S S- 0 0 32 2,-2.2 3,-0.1 -2,-0.4 26,-0.1 -0.291 97.8 -46.1-129.1 46.9 -1.6 -16.7 -3.6 21 39 A G S S+ 0 0 69 26,-0.1 2,-0.3 1,-0.0 -2,-0.1 0.173 140.4 27.1 102.9 -11.7 -5.1 -17.1 -5.0 22 40 A Y S S- 0 0 133 -4,-0.0 -2,-2.2 0, 0.0 2,-0.2 -0.936 103.2 -79.6-169.1 153.6 -6.5 -15.8 -1.7 23 41 A H E +J 19 0C 35 -2,-0.3 -4,-0.2 -4,-0.2 3,-0.1 -0.523 52.2 157.8 -61.2 133.8 -5.3 -13.5 1.1 24 42 A F E + 0 0 34 -6,-2.5 2,-0.3 1,-0.4 151,-0.2 0.490 58.2 6.6-133.3 -12.2 -3.0 -15.4 3.4 25 43 A b E -J 18 0C 7 -7,-1.0 -7,-3.2 151,-0.1 -1,-0.4 -0.984 61.0-122.5-163.3 156.9 -0.8 -12.8 5.2 26 44 A G E +J 17 0C 0 151,-3.2 12,-0.4 -2,-0.3 2,-0.3 -0.422 27.8 177.0 -91.6 178.4 -0.3 -9.1 5.8 27 45 A G E -J 16 0C 0 -11,-1.0 -11,-2.6 -2,-0.2 2,-0.4 -0.949 25.0-118.1-168.8 171.8 2.9 -7.2 5.2 28 46 A S E -JL 15 36C 0 8,-2.6 8,-2.9 -2,-0.3 2,-0.5 -0.989 19.9-131.0-128.6 128.9 4.2 -3.6 5.4 29 47 A L E + L 0 35C 1 -15,-2.4 74,-2.4 -2,-0.4 6,-0.2 -0.656 26.9 174.2 -76.7 123.2 5.5 -1.6 2.4 30 48 A I E - 0 0 19 4,-2.4 2,-0.3 -2,-0.5 5,-0.2 0.605 66.2 -9.3-110.7 -15.0 8.9 -0.1 3.4 31 49 A N E > S- L 0 34C 48 3,-1.3 3,-0.9 70,-0.1 -1,-0.3 -0.938 91.3 -73.0-161.2-177.2 9.8 1.5 0.0 32 50 A S T 3 S+ 0 0 42 -2,-0.3 62,-3.4 1,-0.2 60,-0.1 0.709 128.7 23.2 -58.1 -21.8 8.6 1.5 -3.6 33 51 A Q T 3 S+ 0 0 72 60,-0.2 57,-2.7 1,-0.1 2,-0.4 0.388 109.5 73.7-128.4 10.4 9.8 -2.1 -4.2 34 52 A W E < -LM 31 89C 1 -3,-0.9 -4,-2.4 55,-0.2 -3,-1.3 -0.982 47.7-169.4-132.9 139.9 10.1 -3.9 -0.9 35 53 A V E -LM 29 88C 0 53,-2.6 53,-2.7 -2,-0.4 2,-0.5 -0.951 13.6-145.9-120.8 139.1 7.7 -5.4 1.7 36 54 A V E +LM 28 87C 0 -8,-2.9 -8,-2.6 -2,-0.4 2,-0.2 -0.917 34.2 148.6-101.9 130.6 8.4 -6.6 5.2 37 55 A S E - M 0 86C 0 49,-2.8 49,-2.3 -2,-0.5 2,-0.3 -0.738 49.4 -70.6-139.8-168.7 6.4 -9.6 6.4 38 56 A A > - 0 0 0 -12,-0.4 3,-1.6 47,-0.3 47,-0.3 -0.700 31.6-131.8 -89.3 142.5 6.8 -12.6 8.7 39 57 A A G > S+ 0 0 2 -2,-0.3 3,-2.2 1,-0.3 -1,-0.1 0.835 108.0 65.5 -58.2 -32.8 9.1 -15.5 7.7 40 58 A H G 3 S+ 0 0 63 1,-0.3 -1,-0.3 41,-0.1 137,-0.0 0.583 93.1 63.4 -70.3 -5.1 6.2 -17.9 8.6 41 59 A b G < S+ 0 0 3 -3,-1.6 -1,-0.3 -15,-0.0 -2,-0.2 0.396 77.1 131.4 -89.3 -3.1 4.4 -16.3 5.7 42 60 A Y < + 0 0 135 -3,-2.2 2,-0.3 -4,-0.1 -3,-0.0 -0.292 20.8 132.1 -58.2 132.1 6.9 -17.6 3.3 43 61 A K - 0 0 55 0, 0.0 3,-0.3 0, 0.0 2,-0.1 -0.931 52.3-101.7-161.3 167.0 5.6 -19.4 0.1 44 62 A S S S+ 0 0 98 -2,-0.3 25,-0.0 1,-0.2 0, 0.0 -0.462 94.9 40.4 -84.9 164.9 6.3 -19.2 -3.6 45 63 A G S S+ 0 0 66 1,-0.2 2,-0.4 -2,-0.1 -1,-0.2 0.870 74.4 171.7 69.9 40.4 4.0 -17.4 -6.1 46 64 A I - 0 0 8 -3,-0.3 21,-2.7 -26,-0.1 2,-0.5 -0.689 19.0-165.2 -84.7 131.7 3.2 -14.4 -4.0 47 65 A Q E -KN 19 66C 49 -28,-2.6 -28,-2.9 -2,-0.4 2,-0.5 -0.981 16.7-140.2-109.3 128.9 1.3 -11.5 -5.4 48 66 A V E -KN 18 65C 0 17,-2.9 17,-2.6 -2,-0.5 2,-0.6 -0.757 12.3-158.1 -89.7 127.7 1.5 -8.3 -3.3 49 67 A R E -KN 17 64C 52 -32,-3.0 -32,-2.3 -2,-0.5 3,-0.3 -0.930 13.7-178.2-113.5 112.0 -1.8 -6.4 -3.2 50 68 A L E + N 0 63C 2 13,-3.1 13,-2.0 -2,-0.6 -34,-0.1 -0.676 61.0 30.3-102.9 159.0 -1.4 -2.7 -2.3 51 69 A G S S+ 0 0 6 -36,-0.4 10,-0.3 -38,-0.3 2,-0.3 0.698 84.4 155.4 69.9 20.1 -4.1 -0.0 -1.8 52 70 A E + 0 0 10 -37,-0.4 -42,-0.4 -3,-0.3 -1,-0.2 -0.575 21.0 151.5 -82.3 139.9 -6.6 -2.7 -0.5 53 71 A D S S+ 0 0 13 1,-0.4 2,-0.8 4,-0.3 -1,-0.2 0.393 80.7 30.5-116.7 -79.7 -9.6 -2.1 1.7 54 72 A N S > S- 0 0 27 80,-0.2 3,-1.4 1,-0.2 -1,-0.4 -0.695 73.3-160.4 -77.4 111.4 -12.2 -4.8 0.8 55 73 A I T 3 S+ 0 0 31 78,-2.5 -1,-0.2 -2,-0.8 79,-0.1 0.583 88.4 52.5 -71.8 -6.8 -9.9 -7.7 -0.3 56 74 A N T 3 S+ 0 0 125 77,-0.2 2,-0.4 1,-0.1 -1,-0.3 0.347 106.1 57.5-107.2 1.7 -12.9 -9.3 -2.2 57 75 A V S < S- 0 0 74 -3,-1.4 2,-0.8 76,-0.1 -4,-0.3 -0.999 77.1-129.5-137.1 131.2 -13.9 -6.2 -4.3 58 76 A V + 0 0 115 -2,-0.4 -3,-0.1 1,-0.2 -6,-0.0 -0.730 33.9 172.3 -79.6 113.2 -11.9 -4.1 -6.7 59 77 A E - 0 0 99 -2,-0.8 -1,-0.2 -5,-0.2 -7,-0.0 0.583 50.9 -95.7-107.0 -14.5 -12.6 -0.6 -5.4 60 78 A G S S+ 0 0 61 -9,-0.0 -8,-0.1 0, 0.0 -2,-0.1 0.285 105.5 72.2 125.7 -10.0 -10.2 1.6 -7.5 61 79 A N + 0 0 68 -10,-0.3 -9,-0.1 38,-0.0 2,-0.0 0.335 66.9 123.9-116.8 7.0 -7.0 2.2 -5.6 62 80 A E - 0 0 32 -13,-0.0 2,-0.4 2,-0.0 -11,-0.2 -0.313 38.5-168.0 -68.0 146.6 -5.3 -1.3 -5.8 63 81 A Q E -N 50 0C 39 -13,-2.0 -13,-3.1 2,-0.1 2,-0.6 -0.966 7.0-164.2-128.0 120.7 -1.9 -2.1 -7.2 64 82 A F E +N 49 0C 77 -2,-0.4 2,-0.4 -15,-0.2 -15,-0.2 -0.928 16.4 169.9-103.0 117.4 -1.3 -5.8 -7.8 65 83 A I E -N 48 0C 12 -17,-2.6 -17,-2.9 -2,-0.6 2,-0.1 -0.992 28.7-129.8-133.1 123.5 2.4 -6.6 -8.2 66 84 A S E -N 47 0C 54 -2,-0.4 25,-2.8 -19,-0.3 26,-0.3 -0.384 29.4-110.3 -67.1 147.7 4.0 -10.0 -8.3 67 85 A A E -O 90 0C 20 -21,-2.7 23,-0.3 23,-0.2 3,-0.1 -0.582 21.5-165.8 -76.0 139.4 7.0 -10.7 -6.0 68 86 A S E S- 0 0 59 21,-3.0 2,-0.3 1,-0.4 22,-0.2 0.709 72.8 -4.6 -93.8 -27.1 10.3 -11.2 -7.8 69 87 A K E -O 89 0C 87 20,-1.2 20,-2.8 2,-0.0 2,-0.4 -0.977 55.8-149.7-162.8 152.1 12.1 -12.7 -4.8 70 88 A S E -O 88 0C 39 -2,-0.3 2,-0.5 18,-0.2 18,-0.2 -0.964 8.3-162.8-123.3 142.8 11.6 -13.4 -1.1 71 89 A I E -O 87 0C 36 16,-3.0 16,-2.7 -2,-0.4 2,-0.3 -0.931 6.4-158.4-128.7 106.5 14.4 -13.4 1.5 72 90 A V E -O 86 0C 46 -2,-0.5 14,-0.2 14,-0.2 12,-0.1 -0.606 42.2 -87.6 -77.1 142.6 13.7 -15.2 4.7 73 91 A H > - 0 0 23 12,-2.4 3,-1.9 -2,-0.3 -1,-0.1 -0.213 35.6-123.7 -49.4 136.1 15.9 -14.1 7.6 74 92 A P T 3 S+ 0 0 102 0, 0.0 -1,-0.2 0, 0.0 -2,-0.1 0.767 109.6 41.3 -55.8 -24.5 19.1 -16.1 7.7 75 93 A S T 3 S+ 0 0 72 8,-0.1 2,-0.1 2,-0.1 -2,-0.1 0.176 78.9 142.0-112.7 16.7 18.4 -17.2 11.3 76 94 A Y < - 0 0 55 -3,-1.9 2,-0.5 9,-0.1 7,-0.2 -0.407 32.4-163.5 -62.8 129.7 14.7 -17.9 11.1 77 95 A N > - 0 0 66 5,-2.1 4,-2.2 -2,-0.1 5,-0.4 -0.974 7.7-162.4-116.5 113.2 13.7 -20.9 13.2 78 96 A S T 4 S+ 0 0 80 -2,-0.5 -1,-0.1 1,-0.2 -2,-0.0 0.673 87.3 55.8 -72.2 -17.7 10.2 -22.2 12.3 79 97 A N T 4 S+ 0 0 151 1,-0.1 -1,-0.2 3,-0.1 -2,-0.0 0.908 123.9 21.1 -78.1 -44.9 9.9 -24.2 15.6 80 98 A T T 4 S- 0 0 75 2,-0.1 -2,-0.2 -3,-0.1 -1,-0.1 0.577 97.0-130.8 -96.9 -15.5 10.5 -21.3 18.0 81 99 A L >< + 0 0 32 -4,-2.2 3,-0.8 1,-0.3 2,-0.2 0.602 48.7 160.3 65.1 17.1 9.6 -18.5 15.6 82 100 A N T 3 + 0 0 39 -5,-0.4 -5,-2.1 1,-0.2 -1,-0.3 -0.501 67.6 15.5 -64.4 136.2 12.9 -16.7 16.5 83 101 A N T 3 S+ 0 0 19 -7,-0.2 2,-2.1 1,-0.2 -1,-0.2 0.903 79.8 179.5 63.4 45.9 13.8 -14.2 13.8 84 102 A D < + 0 0 1 -3,-0.8 2,-0.3 75,-0.2 123,-0.2 -0.498 35.8 114.3 -80.5 75.5 10.3 -14.3 12.2 85 103 A I + 0 0 0 -2,-2.1 -12,-2.4 -47,-0.3 2,-0.3 -0.998 36.5 177.1-149.0 144.6 10.9 -11.8 9.5 86 104 A M E -MO 37 72C 0 -49,-2.3 -49,-2.8 -2,-0.3 2,-0.4 -0.994 18.8-140.5-148.6 143.9 11.1 -11.9 5.7 87 105 A L E -MO 36 71C 0 -16,-2.7 -16,-3.0 -2,-0.3 2,-0.4 -0.879 13.2-163.4-105.8 142.8 11.6 -9.4 2.9 88 106 A I E -MO 35 70C 0 -53,-2.7 -53,-2.6 -2,-0.4 2,-0.4 -0.992 7.1-150.8-126.4 124.9 9.7 -9.5 -0.4 89 107 A K E -MO 34 69C 42 -20,-2.8 -21,-3.0 -2,-0.4 -20,-1.2 -0.831 16.3-131.0 -95.9 134.3 10.8 -7.6 -3.5 90 108 A L E - 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