==== 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 3A84 . 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) . 9130.0 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,-0.4 0, 0.0 3,-0.4 0.000 360.0 360.0 360.0 122.0 -8.1 -8.6 14.4 2 20 A V B +A 171 0A 9 169,-2.8 169,-1.9 1,-0.2 123,-0.1 -0.850 360.0 3.6-100.8 132.0 -10.3 -9.3 17.4 3 21 A G S S+ 0 0 50 121,-0.6 -1,-0.2 -2,-0.4 169,-0.1 0.733 103.0 118.3 70.2 25.5 -12.0 -6.4 19.3 4 22 A G - 0 0 36 -3,-0.4 2,-0.3 167,-0.1 134,-0.2 -0.008 58.2-108.4-100.5-154.1 -10.8 -3.8 16.9 5 23 A Y E -B 137 0B 97 132,-2.6 132,-3.1 -3,-0.1 2,-0.5 -0.936 34.2 -87.8-140.7 160.3 -12.5 -1.3 14.5 6 24 A T E -B 136 0B 74 -2,-0.3 130,-0.2 130,-0.2 129,-0.1 -0.608 37.3-151.7 -70.2 119.5 -13.0 -0.8 10.8 7 25 A a - 0 0 17 128,-2.1 -1,-0.2 -2,-0.5 129,-0.1 0.902 35.0-114.2 -60.1 -44.5 -9.9 1.3 9.8 8 26 A G > - 0 0 26 127,-0.5 3,-1.9 -3,-0.1 4,-0.3 -0.004 46.2 -58.0 105.4 138.0 -11.5 3.1 6.9 9 27 A A T 3 S- 0 0 55 1,-0.3 44,-0.1 2,-0.1 43,-0.1 -0.241 118.5 -10.3 -54.8 124.7 -10.5 2.6 3.2 10 28 A N T 3 S+ 0 0 26 42,-0.4 -1,-0.3 2,-0.1 43,-0.1 0.637 92.2 125.4 61.0 22.7 -6.8 3.4 2.6 11 29 A T S < S+ 0 0 84 -3,-1.9 -2,-0.1 1,-0.3 -1,-0.1 0.566 75.2 49.3 -82.3 -11.3 -6.2 4.9 6.0 12 30 A V S > S+ 0 0 8 -4,-0.3 3,-1.9 87,-0.1 -1,-0.3 -0.703 74.4 175.0-124.4 74.6 -3.3 2.5 6.6 13 31 A P T 3 S+ 0 0 31 0, 0.0 88,-1.6 0, 0.0 38,-0.3 0.589 72.8 55.3 -70.4 -12.7 -1.5 3.1 3.3 14 32 A Y T 3 S+ 0 0 19 86,-0.2 15,-2.5 88,-0.1 2,-0.4 0.516 82.1 109.5 -91.1 -9.5 1.6 0.9 4.1 15 33 A Q E < -J 28 0C 5 -3,-1.9 36,-0.4 13,-0.2 37,-0.4 -0.562 48.7-174.9 -71.2 124.7 -0.6 -2.2 4.8 16 34 A V E -J 27 0C 2 11,-2.5 11,-1.1 -2,-0.4 2,-0.5 -0.818 20.2-139.6-116.4 155.9 -0.3 -4.9 2.1 17 35 A S E -JK 26 49C 1 32,-2.3 32,-2.9 -2,-0.3 2,-0.5 -0.973 15.4-142.3-108.8 129.8 -2.2 -8.2 1.5 18 36 A L E -JK 25 48C 0 7,-3.4 6,-2.7 -2,-0.5 7,-1.0 -0.857 25.2-167.7 -90.9 128.1 -0.0 -11.1 0.4 19 37 A N E +JK 23 47C 17 28,-2.8 28,-2.4 -2,-0.5 4,-0.2 -0.964 31.8 168.5-127.4 128.2 -2.1 -13.1 -2.1 20 38 A S S S- 0 0 32 2,-2.2 3,-0.1 -2,-0.4 26,-0.1 -0.356 97.6 -46.7-126.7 49.7 -1.5 -16.6 -3.6 21 39 A G S S+ 0 0 71 26,-0.1 2,-0.3 1,-0.0 -2,-0.1 0.206 141.0 29.2 100.6 -10.0 -5.0 -16.9 -5.1 22 40 A Y S S- 0 0 132 -4,-0.0 -2,-2.2 0, 0.0 2,-0.2 -0.935 103.8 -80.6-169.9 152.2 -6.4 -15.7 -1.8 23 41 A H E +J 19 0C 34 -2,-0.3 -4,-0.2 -4,-0.2 3,-0.1 -0.520 51.6 158.9 -62.2 132.0 -5.2 -13.4 1.0 24 42 A F E + 0 0 34 -6,-2.7 2,-0.3 1,-0.4 151,-0.2 0.507 58.3 3.9-129.4 -13.5 -2.9 -15.4 3.4 25 43 A b E -J 18 0C 7 -7,-1.0 -7,-3.4 151,-0.1 -1,-0.4 -0.981 61.4-120.7-163.3 158.3 -0.8 -12.8 5.2 26 44 A G E +J 17 0C 0 151,-2.9 12,-0.4 -2,-0.3 2,-0.3 -0.431 27.9 178.1 -91.8 177.9 -0.3 -9.1 5.8 27 45 A G E -J 16 0C 0 -11,-1.1 -11,-2.5 -2,-0.2 2,-0.4 -0.950 25.0-117.9-167.2 172.9 2.9 -7.1 5.2 28 46 A S E -JL 15 36C 0 8,-2.6 8,-2.9 -2,-0.3 2,-0.5 -0.991 20.5-130.9-129.6 126.6 4.2 -3.5 5.4 29 47 A L E + L 0 35C 1 -15,-2.5 74,-2.3 -2,-0.4 6,-0.2 -0.651 27.1 174.5 -74.2 122.7 5.5 -1.5 2.4 30 48 A I E - 0 0 19 4,-2.4 2,-0.3 -2,-0.5 5,-0.2 0.608 66.3 -10.1-110.3 -16.1 8.9 0.0 3.3 31 49 A N E > S- L 0 34C 49 3,-1.3 3,-0.8 70,-0.1 -1,-0.3 -0.929 89.6 -76.2-159.7-174.9 9.8 1.6 0.0 32 50 A S T 3 S+ 0 0 42 -2,-0.3 62,-3.2 1,-0.2 60,-0.1 0.723 128.5 29.0 -60.7 -20.8 8.6 1.5 -3.6 33 51 A Q T 3 S+ 0 0 76 60,-0.2 57,-2.9 1,-0.1 2,-0.4 0.430 109.9 68.3-117.2 -4.4 10.1 -2.0 -4.2 34 52 A W E < -LM 31 89C 1 -3,-0.8 -4,-2.4 55,-0.2 -3,-1.3 -0.969 47.9-168.4-135.9 140.7 10.1 -3.8 -0.9 35 53 A V E -LM 29 88C 0 53,-2.7 53,-2.7 -2,-0.4 2,-0.5 -0.955 14.2-145.5-122.8 139.7 7.7 -5.3 1.7 36 54 A V E +LM 28 87C 0 -8,-2.9 -8,-2.6 -2,-0.4 2,-0.2 -0.909 34.4 149.8-101.4 130.3 8.5 -6.5 5.2 37 55 A S E - M 0 86C 0 49,-2.8 49,-2.3 -2,-0.5 2,-0.3 -0.758 49.1 -72.1-139.8-169.7 6.5 -9.5 6.4 38 56 A A > - 0 0 0 -12,-0.4 3,-1.6 47,-0.3 47,-0.3 -0.704 32.1-132.4 -89.0 141.6 6.8 -12.6 8.8 39 57 A A G > S+ 0 0 2 -2,-0.3 3,-2.2 1,-0.3 -1,-0.1 0.830 107.5 65.2 -59.9 -32.2 9.1 -15.4 7.8 40 58 A H G 3 S+ 0 0 65 1,-0.3 -1,-0.3 41,-0.1 137,-0.0 0.601 93.0 63.8 -69.8 -6.1 6.3 -17.8 8.7 41 59 A b G < S+ 0 0 4 -3,-1.6 -1,-0.3 -15,-0.0 -2,-0.2 0.412 77.5 132.6 -88.0 -3.2 4.4 -16.2 5.8 42 60 A Y < + 0 0 133 -3,-2.2 2,-0.3 -4,-0.1 -3,-0.0 -0.246 20.5 133.7 -56.4 132.1 7.0 -17.5 3.3 43 61 A K - 0 0 54 3,-0.0 3,-0.3 0, 0.0 2,-0.1 -0.938 50.9-103.3-162.1 166.6 5.7 -19.2 0.2 44 62 A S S S+ 0 0 98 -2,-0.3 25,-0.0 1,-0.2 0, 0.0 -0.481 94.6 39.2 -86.0 163.4 6.4 -19.1 -3.6 45 63 A G S S+ 0 0 68 1,-0.2 2,-0.4 -2,-0.1 -1,-0.2 0.871 75.6 172.4 71.3 39.8 4.2 -17.4 -6.1 46 64 A I - 0 0 9 -3,-0.3 21,-2.9 21,-0.1 2,-0.5 -0.670 19.6-164.2 -84.2 133.5 3.3 -14.3 -4.0 47 65 A Q E -KN 19 66C 49 -28,-2.4 -28,-2.8 -2,-0.4 2,-0.5 -0.985 15.9-141.3-111.4 127.9 1.4 -11.4 -5.4 48 66 A V E -KN 18 65C 0 17,-3.0 17,-2.7 -2,-0.5 2,-0.6 -0.747 12.0-157.7 -89.6 128.3 1.6 -8.3 -3.3 49 67 A R E -KN 17 64C 51 -32,-2.9 -32,-2.3 -2,-0.5 3,-0.3 -0.938 13.4-177.8-115.0 114.6 -1.7 -6.3 -3.2 50 68 A L E + N 0 63C 2 13,-3.1 13,-2.1 -2,-0.6 -34,-0.1 -0.675 61.0 29.8-105.0 159.1 -1.4 -2.6 -2.3 51 69 A G S S+ 0 0 6 -36,-0.4 10,-0.3 -38,-0.3 2,-0.2 0.693 84.0 155.4 68.1 20.5 -4.1 -0.0 -1.8 52 70 A E + 0 0 9 -37,-0.4 -42,-0.4 -3,-0.3 -1,-0.2 -0.558 20.6 151.5 -81.7 140.4 -6.6 -2.6 -0.6 53 71 A D S S+ 0 0 13 1,-0.4 2,-0.8 4,-0.3 -1,-0.2 0.359 80.4 30.9-117.2 -79.8 -9.6 -2.0 1.6 54 72 A N S > S- 0 0 29 80,-0.2 3,-1.4 1,-0.2 -1,-0.4 -0.681 73.7-159.8 -75.5 111.5 -12.2 -4.7 0.7 55 73 A I T 3 S+ 0 0 30 78,-2.5 -1,-0.2 -2,-0.8 79,-0.1 0.593 88.6 51.3 -71.5 -6.9 -9.9 -7.6 -0.3 56 74 A N T 3 S+ 0 0 122 77,-0.2 2,-0.4 1,-0.1 -1,-0.3 0.362 105.9 57.7-107.5 1.6 -12.8 -9.2 -2.2 57 75 A V S < S- 0 0 76 -3,-1.4 2,-0.8 76,-0.1 -4,-0.3 -0.999 77.4-128.3-137.4 130.8 -13.9 -6.1 -4.3 58 76 A V + 0 0 116 -2,-0.4 -3,-0.1 1,-0.2 -6,-0.0 -0.719 34.0 171.9 -79.0 114.1 -11.9 -4.0 -6.8 59 77 A E - 0 0 95 -2,-0.8 -1,-0.2 -5,-0.2 -7,-0.0 0.582 50.7 -97.7-107.6 -15.0 -12.5 -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 0.313 104.6 73.8 122.8 -8.5 -10.1 1.6 -7.5 61 79 A N + 0 0 67 -10,-0.3 -9,-0.1 38,-0.0 2,-0.1 0.323 67.2 122.9-115.4 6.8 -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 -0.326 39.2-168.0 -69.6 147.8 -5.3 -1.2 -5.8 63 81 A Q E -N 50 0C 38 -13,-2.1 -13,-3.1 -2,-0.1 2,-0.6 -0.968 6.9-164.0-129.0 121.6 -1.9 -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 -0.926 16.5 170.2-104.6 118.5 -1.3 -5.8 -7.8 65 83 A I E -N 48 0C 13 -17,-2.7 -17,-3.0 -2,-0.6 2,-0.1 -0.991 29.1-128.7-135.0 123.1 2.4 -6.5 -8.2 66 84 A S E -N 47 0C 53 -2,-0.4 25,-2.9 -19,-0.3 26,-0.3 -0.380 29.3-112.0 -65.2 145.8 4.0 -10.0 -8.3 67 85 A A E -O 90 0C 16 -21,-2.9 23,-0.3 23,-0.2 -22,-0.1 -0.597 21.5-166.0 -77.4 138.3 7.0 -10.7 -6.0 68 86 A S E S- 0 0 58 21,-2.9 2,-0.3 1,-0.4 22,-0.2 0.708 72.2 -3.6 -92.5 -25.7 10.3 -11.2 -7.8 69 87 A K E -O 89 0C 82 20,-1.2 20,-2.9 -23,-0.0 2,-0.4 -0.976 55.8-149.9-163.8 151.3 12.1 -12.6 -4.8 70 88 A S E -O 88 0C 39 -2,-0.3 2,-0.5 18,-0.2 18,-0.2 -0.960 8.2-162.7-124.3 144.2 11.7 -13.3 -1.1 71 89 A I E -O 87 0C 35 16,-3.0 16,-2.8 -2,-0.4 2,-0.3 -0.940 6.7-158.1-131.3 106.2 14.4 -13.3 1.5 72 90 A V E -O 86 0C 48 -2,-0.5 14,-0.2 14,-0.2 12,-0.1 -0.616 42.0 -87.7 -78.3 142.3 13.7 -15.1 4.8 73 91 A H > - 0 0 22 12,-2.4 3,-2.0 -2,-0.3 -1,-0.1 -0.240 35.8-123.8 -50.3 136.4 15.9 -13.9 7.7 74 92 A P T 3 S+ 0 0 102 0, 0.0 -1,-0.2 0, 0.0 -2,-0.1 0.722 109.8 40.8 -57.2 -22.5 19.2 -16.0 7.7 75 93 A S T 3 S+ 0 0 73 8,-0.1 2,-0.1 2,-0.1 -2,-0.1 0.177 79.5 143.2-114.0 16.0 18.5 -17.1 11.4 76 94 A Y < - 0 0 56 -3,-2.0 2,-0.5 9,-0.1 7,-0.2 -0.376 32.1-163.3 -60.5 128.9 14.7 -17.7 11.2 77 95 A N > - 0 0 64 5,-2.3 4,-2.3 1,-0.1 5,-0.5 -0.969 7.5-163.6-115.9 113.6 13.7 -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 0.682 87.0 55.4 -72.6 -19.3 10.3 -22.0 12.4 79 97 A N T 4 S+ 0 0 148 1,-0.1 -1,-0.2 3,-0.1 -2,-0.0 0.932 124.0 21.2 -75.6 -49.0 9.9 -24.0 15.6 80 98 A T T 4 S- 0 0 73 2,-0.1 -2,-0.2 76,-0.0 -1,-0.1 0.607 97.3-131.1 -93.8 -15.9 10.5 -21.1 18.1 81 99 A L >< + 0 0 32 -4,-2.3 3,-0.8 1,-0.3 2,-0.2 0.613 48.6 160.6 65.9 17.1 9.6 -18.3 15.6 82 100 A N T 3 + 0 0 38 -5,-0.5 -5,-2.3 1,-0.2 -1,-0.3 -0.516 67.7 15.3 -64.7 135.2 12.8 -16.5 16.6 83 101 A N T 3 S+ 0 0 17 -7,-0.2 2,-2.1 1,-0.2 -10,-0.3 0.903 79.7 179.4 64.7 45.5 13.7 -14.0 13.8 84 102 A D < + 0 0 1 -3,-0.8 2,-0.3 75,-0.2 123,-0.2 -0.498 36.4 113.5 -81.5 76.7 10.2 -14.2 12.3 85 103 A I + 0 0 0 -2,-2.1 -12,-2.4 -47,-0.3 2,-0.3 -0.997 36.8 176.4-151.1 142.5 10.9 -11.7 9.5 86 104 A M E -MO 37 72C 0 -49,-2.3 -49,-2.8 -2,-0.3 2,-0.4 -0.991 19.9-138.6-148.2 147.0 11.2 -11.8 5.7 87 105 A L E -MO 36 71C 0 -16,-2.8 -16,-3.0 -2,-0.3 2,-0.4 -0.897 14.0-164.3-107.4 142.2 11.7 -9.3 2.9 88 106 A I E -MO 35 70C 0 -53,-2.7 -53,-2.7 -2,-0.4 2,-0.4 -0.994 7.4-150.8-126.4 126.9 9.7 -9.4 -0.4 89 107 A K E -MO 34 69C 40 -20,-2.9 -21,-2.9 -2,-0.4 -20,-1.2 -0.840 15.6-130.4 -99.2 135.5 10.8 -7.5 -3.5 90 108 A L E - 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