==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=13-SEP-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 03-DEC-12 4I8G . COMPND 2 MOLECULE: CATIONIC TRYPSIN; . SOURCE 2 ORGANISM_SCIENTIFIC: BOS TAURUS; . AUTHOR Z.DAUTER,D.LIEBSCHNER,M.DAUTER,A.BRZUSZKIEWICZ . 223 1 6 6 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9231.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 133 59.6 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 . 13 5.8 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 . 4 3 1 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,-0.4 0, 0.0 3,-0.3 0.000 360.0 360.0 360.0 123.1 -8.1 -20.7 -14.5 2 17 A V B +A 171 0A 10 169,-3.0 169,-1.9 1,-0.2 123,-0.1 -0.879 360.0 7.2-101.7 131.6 -10.3 -19.9 -17.5 3 18 A G S S+ 0 0 48 121,-0.5 -1,-0.2 -2,-0.4 169,-0.1 0.677 102.7 116.1 76.4 18.8 -11.9 -22.8 -19.3 4 19 A G - 0 0 37 -3,-0.3 2,-0.3 167,-0.1 134,-0.2 0.056 58.3-110.3 -99.9-155.8 -10.8 -25.5 -16.9 5 20 A Y E -B 137 0B 98 132,-2.4 132,-2.7 -3,-0.1 2,-0.5 -0.916 34.6 -87.1-139.5 161.2 -12.5 -27.9 -14.6 6 21 A T E -B 136 0B 75 -2,-0.3 130,-0.2 130,-0.2 129,-0.1 -0.642 36.4-151.9 -71.7 119.9 -12.9 -28.5 -10.8 7 22 A a - 0 0 17 128,-2.0 -1,-0.2 -2,-0.5 129,-0.1 0.891 34.4-115.4 -61.0 -44.2 -9.9 -30.5 -9.8 8 23 A G > - 0 0 26 127,-0.5 3,-1.8 -3,-0.1 4,-0.3 0.019 47.1 -55.6 104.9 145.0 -11.5 -32.3 -6.9 9 24 A A T 3 S- 0 0 53 1,-0.3 44,-0.1 2,-0.1 43,-0.0 -0.234 117.9 -11.1 -63.7 126.8 -10.4 -31.9 -3.3 10 25 A N T 3 S+ 0 0 25 42,-0.4 -1,-0.3 2,-0.1 43,-0.1 0.653 91.3 125.8 61.6 25.0 -6.8 -32.6 -2.6 11 26 A T S < S+ 0 0 84 -3,-1.8 -2,-0.1 1,-0.2 -1,-0.1 0.544 75.2 49.2 -83.2 -8.7 -6.2 -34.2 -6.1 12 27 A V S > S+ 0 0 8 -4,-0.3 3,-2.0 87,-0.1 -1,-0.2 -0.773 74.5 175.1-126.9 74.1 -3.3 -31.7 -6.6 13 28 A P T 3 S+ 0 0 31 0, 0.0 88,-1.6 0, 0.0 38,-0.3 0.634 72.1 56.0 -75.7 -10.1 -1.5 -32.3 -3.3 14 29 A Y T 3 S+ 0 0 20 86,-0.2 15,-2.4 88,-0.1 2,-0.4 0.469 82.0 107.7 -89.9 -8.8 1.6 -30.1 -4.1 15 30 A Q E < -J 28 0C 5 -3,-2.0 37,-0.4 13,-0.2 36,-0.4 -0.601 48.9-176.1 -74.5 129.6 -0.6 -27.0 -4.8 16 31 A V E -J 27 0C 0 11,-2.5 11,-1.2 -2,-0.4 2,-0.4 -0.867 20.7-137.0-119.8 159.4 -0.4 -24.4 -2.1 17 32 A S E -JK 26 49C 1 32,-2.3 32,-2.7 -2,-0.3 2,-0.5 -0.951 15.3-141.1-107.9 129.9 -2.1 -21.1 -1.6 18 33 A L E -JK 25 48C 0 7,-3.0 6,-2.5 -2,-0.4 7,-0.9 -0.851 25.4-167.6 -91.5 127.9 -0.1 -18.1 -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 31.5 167.1-127.2 130.9 -2.1 -16.1 2.1 20 37 A S S S- 0 0 32 2,-2.2 3,-0.1 -2,-0.4 26,-0.1 -0.307 97.5 -48.0-128.5 46.4 -1.5 -12.6 3.6 21 38 A G S S+ 0 0 69 26,-0.1 2,-0.3 1,-0.0 -2,-0.1 0.229 140.5 32.8 101.8 -9.4 -5.0 -12.3 5.0 22 39 A Y S S- 0 0 130 -4,-0.0 -2,-2.2 0, 0.0 2,-0.2 -0.924 101.4 -85.3-172.2 144.9 -6.4 -13.4 1.7 23 40 A H E +J 19 0C 38 -2,-0.3 -4,-0.2 -4,-0.2 3,-0.1 -0.512 51.3 158.4 -60.4 134.1 -5.3 -15.8 -1.1 24 41 A F E + 0 0 33 -6,-2.5 2,-0.3 1,-0.5 151,-0.2 0.534 56.6 1.5-131.9 -18.0 -3.0 -13.9 -3.4 25 42 A b E -J 18 0C 8 -7,-0.9 -7,-3.0 151,-0.1 -1,-0.5 -0.977 62.6-118.6-161.1 160.8 -0.9 -16.4 -5.4 26 43 A G E +J 17 0C 0 151,-2.8 12,-0.4 -2,-0.3 2,-0.3 -0.415 27.4 177.4 -91.9 179.1 -0.2 -20.1 -5.8 27 44 A G E -J 16 0C 0 -11,-1.2 -11,-2.5 -2,-0.1 2,-0.4 -0.952 24.5-116.3-168.7 175.8 2.9 -22.1 -5.2 28 45 A S E -JL 15 36C 0 8,-2.6 8,-2.6 -2,-0.3 2,-0.5 -0.990 20.1-129.7-130.5 129.9 4.2 -25.7 -5.3 29 46 A L E + L 0 35C 0 -15,-2.4 74,-2.4 -2,-0.4 6,-0.2 -0.658 27.9 172.9 -77.3 123.2 5.5 -27.8 -2.4 30 47 A I - 0 0 20 4,-2.6 2,-0.3 -2,-0.5 5,-0.2 0.610 67.4 -10.6-112.3 -14.7 8.9 -29.2 -3.4 31 48 A N S S- 0 0 53 3,-1.2 3,-0.3 70,-0.1 -1,-0.3 -0.892 88.6 -78.7-159.1-174.1 9.9 -30.8 0.0 32 49 A S S S+ 0 0 40 -2,-0.3 62,-3.1 1,-0.2 60,-0.1 0.675 128.5 32.9 -65.1 -20.0 8.6 -30.6 3.6 33 50 A Q S S+ 0 0 75 60,-0.2 57,-3.1 1,-0.1 2,-0.4 0.532 110.4 65.4-110.2 -14.1 10.2 -27.2 4.2 34 51 A W E - M 0 89C 0 -3,-0.3 -4,-2.6 55,-0.2 -3,-1.2 -0.946 47.8-168.2-136.5 139.1 10.1 -25.4 0.8 35 52 A V E -LM 29 88C 0 53,-2.6 53,-2.6 -2,-0.4 2,-0.4 -0.946 15.0-144.5-120.3 140.3 7.7 -23.9 -1.7 36 53 A V E +LM 28 87C 0 -8,-2.6 -8,-2.6 -2,-0.4 2,-0.2 -0.883 35.8 147.7 -94.8 129.3 8.4 -22.7 -5.3 37 54 A S E - M 0 86C 0 49,-2.7 49,-2.2 -2,-0.4 2,-0.4 -0.788 49.9 -71.6-144.7-168.9 6.4 -19.6 -6.5 38 55 A A > - 0 0 0 -12,-0.4 3,-1.8 47,-0.3 47,-0.3 -0.748 31.2-133.9 -90.1 139.7 6.8 -16.6 -8.8 39 56 A A G > S+ 0 0 2 -2,-0.4 3,-2.0 1,-0.3 -1,-0.1 0.825 105.9 65.6 -57.5 -31.9 9.0 -13.7 -7.8 40 57 A H G 3 S+ 0 0 69 1,-0.3 -1,-0.3 41,-0.1 137,-0.0 0.638 93.8 62.5 -70.8 -9.5 6.3 -11.3 -8.7 41 58 A b G < S+ 0 0 5 -3,-1.8 -1,-0.3 -15,-0.1 -2,-0.2 0.398 77.8 131.2 -84.8 -7.9 4.3 -12.8 -5.8 42 59 A Y < + 0 0 135 -3,-2.0 2,-0.3 -4,-0.1 -3,-0.0 -0.230 20.1 136.6 -46.2 137.7 6.9 -11.7 -3.3 43 60 A K - 0 0 54 3,-0.0 3,-0.3 0, 0.0 2,-0.1 -0.916 51.2-103.9-166.4 164.3 5.6 -9.9 -0.2 44 61 A S S S+ 0 0 94 -2,-0.3 25,-0.0 1,-0.2 0, 0.0 -0.458 95.1 44.6 -80.9 162.3 6.4 -10.0 3.5 45 62 A G S S+ 0 0 68 1,-0.2 2,-0.4 -2,-0.1 -1,-0.2 0.852 73.2 170.9 79.1 31.1 4.0 -11.8 5.9 46 63 A I - 0 0 8 -3,-0.3 21,-2.8 -26,-0.1 2,-0.5 -0.638 19.8-167.2 -81.7 132.3 3.3 -14.9 3.9 47 64 A Q E -KN 19 66C 50 -28,-2.7 -28,-2.7 -2,-0.4 2,-0.5 -0.978 17.8-141.7-109.0 126.6 1.3 -17.8 5.4 48 65 A V E -KN 18 65C 0 17,-2.9 17,-2.7 -2,-0.5 2,-0.6 -0.752 11.2-157.2 -87.5 130.4 1.6 -21.0 3.3 49 66 A R E -KN 17 64C 51 -32,-2.7 -32,-2.3 -2,-0.5 3,-0.3 -0.937 14.1-178.6-116.5 108.7 -1.7 -22.9 3.1 50 67 A L E + N 0 63C 2 13,-3.0 13,-1.9 -2,-0.6 -34,-0.1 -0.631 61.1 31.9 -95.9 160.5 -1.3 -26.6 2.3 51 69 A G S S+ 0 0 5 -36,-0.4 10,-0.3 -38,-0.3 2,-0.3 0.694 84.2 155.4 68.8 19.2 -4.0 -29.2 1.8 52 70 A E + 0 0 9 -37,-0.4 -42,-0.4 -3,-0.3 -1,-0.2 -0.574 22.1 150.2 -85.6 143.4 -6.5 -26.7 0.5 53 71 A D S S+ 0 0 14 1,-0.4 2,-0.7 -2,-0.3 -1,-0.2 0.380 81.5 30.1-118.7 -83.3 -9.5 -27.2 -1.7 54 72 A N S > S- 0 0 26 80,-0.2 3,-1.2 1,-0.2 -1,-0.4 -0.669 72.7-160.0 -75.3 113.7 -12.1 -24.6 -0.7 55 73 A I T 3 S+ 0 0 31 78,-2.7 -1,-0.2 -2,-0.7 79,-0.1 0.574 88.2 51.8 -74.1 -6.4 -9.9 -21.6 0.4 56 74 A N T 3 S+ 0 0 125 77,-0.2 2,-0.4 1,-0.1 -1,-0.2 0.339 105.8 57.6-109.2 3.2 -12.9 -20.1 2.3 57 75 A V S < S- 0 0 78 -3,-1.2 2,-0.7 76,-0.2 -4,-0.3 -1.000 77.9-128.5-136.6 132.6 -13.9 -23.1 4.3 58 76 A V + 0 0 118 -2,-0.4 -3,-0.1 1,-0.2 -6,-0.0 -0.727 34.2 171.4 -79.3 113.9 -11.9 -25.2 6.8 59 77 A E - 0 0 99 -2,-0.7 -1,-0.2 -5,-0.2 -7,-0.0 0.575 50.7 -98.0-108.1 -12.7 -12.5 -28.8 5.4 60 78 A G S S+ 0 0 60 -9,-0.0 -2,-0.1 0, 0.0 -8,-0.1 0.326 103.9 73.8 120.3 -7.9 -10.1 -30.8 7.5 61 79 A N + 0 0 64 -10,-0.3 -9,-0.1 38,-0.0 2,-0.1 0.340 67.1 121.3-116.7 6.2 -6.9 -31.5 5.5 62 80 A E - 0 0 33 -13,-0.0 2,-0.4 2,-0.0 -11,-0.2 -0.327 39.8-167.6 -71.8 151.4 -5.3 -28.0 5.8 63 81 A Q E -N 50 0C 38 -13,-1.9 -13,-3.0 -2,-0.1 2,-0.6 -0.973 7.3-163.4-131.1 122.4 -1.9 -27.2 7.2 64 82 A F E +N 49 0C 77 -2,-0.4 2,-0.4 -15,-0.2 -15,-0.2 -0.937 16.6 170.4-106.7 119.0 -1.3 -23.4 7.7 65 83 A I E -N 48 0C 13 -17,-2.7 -17,-2.9 -2,-0.6 2,-0.1 -0.991 28.7-128.1-135.9 124.4 2.4 -22.6 8.2 66 84 A S E -N 47 0C 52 -2,-0.4 25,-2.9 -19,-0.3 26,-0.3 -0.402 28.0-113.6 -68.3 144.7 4.0 -19.2 8.3 67 85 A A E -O 90 0C 19 -21,-2.8 23,-0.3 23,-0.2 3,-0.1 -0.521 22.9-170.0 -71.7 140.7 7.0 -18.5 6.0 68 86 A S E S+ 0 0 68 21,-2.5 2,-0.3 1,-0.4 22,-0.2 0.736 72.3 4.2 -93.7 -30.2 10.3 -17.9 7.8 69 87 A K E -O 89 0C 90 20,-1.1 20,-2.8 2,-0.0 -1,-0.4 -0.988 56.5-160.4-153.4 146.7 12.2 -16.7 4.7 70 88 A S E -O 88 0C 38 -2,-0.3 2,-0.4 18,-0.2 18,-0.2 -0.989 7.9-162.0-132.5 145.1 11.6 -15.9 1.1 71 89 A I E -O 87 0C 37 16,-2.8 16,-2.5 -2,-0.4 2,-0.2 -0.959 5.8-156.2-132.4 102.8 14.4 -15.8 -1.6 72 90 A V E -O 86 0C 47 -2,-0.4 14,-0.2 14,-0.2 12,-0.1 -0.570 42.3 -87.4 -73.4 144.7 13.7 -14.0 -4.9 73 91 A H > - 0 0 23 12,-2.3 3,-1.9 10,-0.3 -1,-0.1 -0.238 35.8-122.9 -54.2 141.1 15.9 -15.2 -7.7 74 92 A P T 3 S+ 0 0 101 0, 0.0 -1,-0.2 0, 0.0 -2,-0.1 0.712 110.1 40.3 -61.1 -22.1 19.1 -13.2 -7.8 75 93 A S T 3 S+ 0 0 74 8,-0.1 2,-0.1 2,-0.0 -2,-0.1 0.160 79.4 142.4-113.6 16.8 18.4 -12.1 -11.4 76 94 A Y < - 0 0 54 -3,-1.9 2,-0.5 9,-0.1 7,-0.2 -0.369 32.0-163.9 -59.6 129.9 14.7 -11.4 -11.2 77 95 A N > - 0 0 67 5,-2.2 4,-2.0 1,-0.1 5,-0.4 -0.967 7.7-162.7-117.3 115.6 13.7 -8.4 -13.3 78 96 A S T 4 S+ 0 0 77 -2,-0.5 -1,-0.1 1,-0.2 -2,-0.0 0.662 86.9 57.1 -73.4 -16.9 10.2 -7.1 -12.4 79 97 A N T 4 S+ 0 0 150 1,-0.1 -1,-0.2 3,-0.1 -2,-0.0 0.896 123.0 21.7 -77.0 -45.1 9.9 -5.1 -15.6 80 98 A T T 4 S- 0 0 74 2,-0.1 -2,-0.2 -3,-0.1 -1,-0.1 0.578 96.9-130.2 -95.8 -15.8 10.4 -8.0 -18.0 81 99 A L >< + 0 0 31 -4,-2.0 3,-0.9 1,-0.3 2,-0.2 0.579 49.9 159.6 63.9 17.8 9.5 -10.8 -15.6 82 100 A N T 3 + 0 0 37 -5,-0.4 -5,-2.2 1,-0.3 -1,-0.3 -0.478 67.7 15.0 -66.0 137.3 12.7 -12.6 -16.6 83 101 A N T 3 S+ 0 0 17 -7,-0.2 2,-2.1 1,-0.2 -10,-0.3 0.899 79.8 179.4 63.2 47.3 13.6 -15.1 -13.9 84 102 A D < + 0 0 0 -3,-0.9 2,-0.3 75,-0.2 123,-0.2 -0.474 37.1 110.6 -83.3 77.3 10.2 -15.0 -12.3 85 103 A I + 0 0 0 -2,-2.1 -12,-2.3 -47,-0.3 2,-0.3 -0.996 37.1 174.6-151.0 143.3 10.8 -17.5 -9.5 86 104 A M E -MO 37 72C 0 -49,-2.2 -49,-2.7 -2,-0.3 2,-0.4 -0.992 21.3-135.3-150.0 154.2 11.2 -17.4 -5.7 87 105 A L E -MO 36 71C 0 -16,-2.5 -16,-2.8 -2,-0.3 2,-0.4 -0.846 14.1-162.7-110.0 142.4 11.7 -19.9 -2.9 88 106 A I E -MO 35 70C 0 -53,-2.6 -53,-2.6 -2,-0.4 2,-0.4 -0.993 7.3-151.1-126.9 125.4 9.7 -19.7 0.4 89 107 A K E -MO 34 69C 40 -20,-2.8 -21,-2.5 -2,-0.4 -20,-1.1 -0.809 15.5-131.4 -97.5 137.9 10.9 -21.6 3.5 90 108 A L E - 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