==== 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 4I8J . 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) . 9214.0 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 . 3 1.3 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 . 22 9.9 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 16 A I 0 0 2 0, 0.0 2,-0.5 0, 0.0 3,-0.3 0.000 360.0 360.0 360.0 123.4 -8.1 -20.5 -14.5 2 17 A V B +A 171 0A 10 169,-2.9 169,-2.0 1,-0.2 123,-0.1 -0.887 360.0 7.1-101.6 131.3 -10.3 -19.7 -17.5 3 18 A G S S+ 0 0 48 121,-0.5 -1,-0.2 -2,-0.5 169,-0.1 0.674 102.9 114.7 78.1 17.0 -11.9 -22.6 -19.4 4 19 A G - 0 0 37 -3,-0.3 2,-0.3 167,-0.1 134,-0.2 0.054 58.7-110.2-100.1-153.5 -10.8 -25.3 -17.0 5 20 A Y E -B 137 0B 97 132,-2.4 132,-2.7 -3,-0.1 2,-0.5 -0.936 34.8 -85.6-143.1 159.3 -12.5 -27.7 -14.6 6 21 A T E -B 136 0B 76 -2,-0.3 130,-0.2 130,-0.2 129,-0.1 -0.614 37.7-151.2 -69.9 119.8 -12.9 -28.3 -10.9 7 22 A a - 0 0 18 128,-1.9 -1,-0.2 -2,-0.5 129,-0.1 0.873 34.9-113.3 -59.8 -44.7 -9.9 -30.4 -9.9 8 23 A G > - 0 0 25 127,-0.5 3,-1.9 -3,-0.1 4,-0.3 0.016 47.2 -57.6 106.5 142.8 -11.5 -32.2 -7.0 9 24 A A T 3 S- 0 0 56 1,-0.3 44,-0.1 2,-0.1 43,-0.0 -0.230 117.5 -11.3 -63.3 126.5 -10.5 -31.8 -3.4 10 25 A N T 3 S+ 0 0 25 42,-0.3 -1,-0.3 2,-0.1 43,-0.1 0.667 91.6 126.0 62.2 23.8 -6.8 -32.5 -2.7 11 26 A T S < S+ 0 0 84 -3,-1.9 -2,-0.1 1,-0.2 -1,-0.1 0.570 74.8 49.9 -83.9 -8.1 -6.2 -34.0 -6.1 12 27 A V S > S+ 0 0 7 -4,-0.3 3,-2.0 87,-0.1 -1,-0.2 -0.776 74.0 175.2-125.6 74.3 -3.3 -31.6 -6.7 13 28 A P T 3 S+ 0 0 31 0, 0.0 88,-1.6 0, 0.0 38,-0.3 0.634 72.0 56.0 -74.8 -11.0 -1.5 -32.2 -3.4 14 29 A Y T 3 S+ 0 0 20 86,-0.2 15,-2.4 88,-0.1 2,-0.4 0.466 82.0 108.4 -88.8 -9.0 1.5 -30.0 -4.2 15 30 A Q E < -J 28 0C 5 -3,-2.0 36,-0.4 13,-0.2 37,-0.4 -0.592 48.8-175.2 -74.3 128.1 -0.6 -26.9 -4.8 16 31 A V E -J 27 0C 1 11,-2.5 11,-1.2 -2,-0.4 2,-0.4 -0.864 20.2-138.0-118.3 158.3 -0.4 -24.3 -2.1 17 32 A S E -JK 26 49C 1 32,-2.3 32,-2.8 -2,-0.3 2,-0.5 -0.955 15.3-141.9-107.7 128.7 -2.2 -21.0 -1.6 18 33 A L E -JK 25 48C 0 7,-3.0 6,-2.5 -2,-0.4 7,-0.9 -0.850 25.1-166.8 -90.8 126.9 -0.1 -18.0 -0.4 19 34 A N E +JK 23 47C 19 28,-2.7 28,-2.8 -2,-0.5 4,-0.2 -0.958 31.7 166.2-125.5 130.7 -2.2 -16.0 2.1 20 37 A S S S- 0 0 31 2,-2.0 3,-0.1 -2,-0.4 26,-0.1 -0.294 97.4 -46.8-128.1 45.4 -1.6 -12.6 3.5 21 38 A G S S+ 0 0 70 26,-0.1 2,-0.3 0, 0.0 -2,-0.1 0.193 140.4 29.6 105.3 -11.6 -5.1 -12.2 5.0 22 39 A Y S S- 0 0 130 -4,-0.0 -2,-2.0 0, 0.0 2,-0.2 -0.921 102.0 -82.6-174.1 142.8 -6.4 -13.4 1.7 23 40 A H E +J 19 0C 36 -2,-0.3 -4,-0.2 -4,-0.2 3,-0.1 -0.481 51.9 157.9 -57.1 132.9 -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 0.517 56.9 2.3-132.5 -15.9 -3.1 -13.8 -3.5 25 42 A b E -J 18 0C 8 -7,-0.9 -7,-3.0 151,-0.1 -1,-0.5 -0.977 62.7-119.6-162.2 159.6 -0.9 -16.3 -5.4 26 43 A G E +J 17 0C 0 151,-2.8 12,-0.4 -2,-0.3 2,-0.3 -0.427 27.0 176.9 -92.8 179.7 -0.2 -20.0 -5.8 27 44 A G E -J 16 0C 0 -11,-1.2 -11,-2.5 -2,-0.2 2,-0.4 -0.949 24.7-116.0-168.8 176.2 2.9 -22.0 -5.2 28 45 A S E -JL 15 36C 0 8,-2.5 8,-2.6 -2,-0.3 2,-0.5 -0.992 20.2-129.5-131.0 129.7 4.2 -25.6 -5.3 29 46 A L E + L 0 35C 1 -15,-2.4 74,-2.4 -2,-0.4 6,-0.2 -0.670 28.1 172.6 -77.1 123.8 5.5 -27.7 -2.4 30 47 A I E - 0 0 18 4,-2.5 2,-0.3 -2,-0.5 5,-0.2 0.603 67.0 -9.9-111.8 -15.9 8.9 -29.1 -3.4 31 48 A N E > S- L 0 34C 48 3,-1.3 3,-0.9 70,-0.1 -1,-0.3 -0.927 89.1 -78.0-161.9 179.7 9.9 -30.7 -0.0 32 49 A S T 3 S+ 0 0 39 -2,-0.3 62,-3.1 1,-0.2 60,-0.1 0.665 128.6 30.7 -60.5 -16.6 8.6 -30.5 3.6 33 50 A Q T 3 S+ 0 0 73 60,-0.2 57,-2.8 1,-0.1 2,-0.4 0.448 109.9 67.6-118.9 -4.4 10.1 -27.1 4.2 34 51 A W E < -LM 31 89C 0 -3,-0.9 -4,-2.5 55,-0.2 -3,-1.3 -0.978 47.7-168.6-136.9 139.7 10.1 -25.3 0.8 35 52 A V E -LM 29 88C 0 53,-2.5 53,-2.6 -2,-0.4 2,-0.4 -0.944 14.6-144.8-120.2 139.2 7.7 -23.8 -1.7 36 53 A V E +LM 28 87C 0 -8,-2.6 -8,-2.5 -2,-0.4 2,-0.2 -0.884 35.2 148.1 -94.6 131.3 8.4 -22.6 -5.3 37 54 A S E - M 0 86C 0 49,-2.5 49,-2.3 -2,-0.4 2,-0.4 -0.785 49.7 -71.9-145.1-169.6 6.4 -19.5 -6.5 38 55 A A > - 0 0 0 -12,-0.4 3,-1.7 47,-0.3 47,-0.3 -0.750 31.5-133.7 -89.7 139.6 6.8 -16.5 -8.8 39 56 A A G > S+ 0 0 2 -2,-0.4 3,-2.1 1,-0.3 -1,-0.1 0.828 106.1 65.3 -57.6 -32.8 9.0 -13.6 -7.7 40 57 A H G 3 S+ 0 0 68 1,-0.3 -1,-0.3 41,-0.1 137,-0.0 0.643 93.7 63.0 -70.7 -8.7 6.3 -11.2 -8.7 41 58 A b G < S+ 0 0 4 -3,-1.7 -1,-0.3 -15,-0.1 -2,-0.2 0.403 77.1 132.2 -84.9 -2.6 4.3 -12.8 -5.8 42 59 A Y < + 0 0 133 -3,-2.1 2,-0.3 -4,-0.1 -3,-0.0 -0.275 20.0 138.2 -56.1 135.7 6.8 -11.6 -3.2 43 60 A K - 0 0 54 0, 0.0 3,-0.3 0, 0.0 2,-0.1 -0.943 50.1-106.2-162.1 160.9 5.5 -9.9 -0.1 44 61 A S S S+ 0 0 92 -2,-0.3 25,-0.0 1,-0.2 0, 0.0 -0.468 94.9 42.7 -80.0 161.2 6.3 -10.0 3.6 45 62 A G S S+ 0 0 67 1,-0.2 2,-0.4 -2,-0.1 -1,-0.2 0.872 73.9 169.9 73.9 35.3 3.9 -11.7 6.0 46 63 A I - 0 0 9 -3,-0.3 21,-2.7 -26,-0.1 2,-0.5 -0.680 21.0-165.0 -84.5 133.2 3.1 -14.8 4.0 47 64 A Q E -KN 19 66C 53 -28,-2.8 -28,-2.7 -2,-0.4 2,-0.5 -0.977 17.6-141.2-107.8 126.0 1.2 -17.8 5.4 48 65 A V E -KN 18 65C 0 17,-2.9 17,-2.6 -2,-0.5 2,-0.6 -0.758 11.8-157.1 -87.3 130.1 1.5 -20.9 3.3 49 66 A R E -KN 17 64C 50 -32,-2.8 -32,-2.3 -2,-0.5 3,-0.3 -0.938 14.0-178.7-115.5 109.3 -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 -0.642 61.5 32.2 -96.8 160.1 -1.3 -26.5 2.2 51 69 A G S S+ 0 0 5 -36,-0.4 10,-0.3 -38,-0.3 2,-0.3 0.683 84.3 155.7 69.0 19.5 -4.0 -29.1 1.8 52 70 A E + 0 0 9 -37,-0.4 -42,-0.3 -3,-0.3 -1,-0.2 -0.581 21.8 149.8 -84.8 142.7 -6.5 -26.6 0.5 53 71 A D S S+ 0 0 15 1,-0.4 2,-0.7 -2,-0.3 -1,-0.2 0.394 81.5 30.0-118.2 -82.2 -9.6 -27.1 -1.7 54 72 A N S > S- 0 0 28 80,-0.2 3,-1.2 1,-0.2 -1,-0.4 -0.678 72.5-160.0 -76.6 113.1 -12.1 -24.4 -0.7 55 73 A I T 3 S+ 0 0 30 78,-2.4 -1,-0.2 -2,-0.7 79,-0.1 0.558 88.6 51.5 -74.2 -4.8 -9.9 -21.5 0.4 56 74 A N T 3 S+ 0 0 122 77,-0.2 2,-0.4 1,-0.1 -1,-0.2 0.364 105.5 58.2-110.2 3.4 -12.9 -20.0 2.3 57 75 A V S < S- 0 0 75 -3,-1.2 2,-0.8 76,-0.2 -4,-0.3 -1.000 77.5-128.4-135.7 132.6 -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 -0.737 34.5 171.3 -79.5 112.1 -11.9 -25.2 6.8 59 77 A E - 0 0 97 -2,-0.8 -1,-0.2 -5,-0.2 -7,-0.0 0.539 50.6 -99.2-105.9 -12.5 -12.5 -28.7 5.4 60 78 A G S S+ 0 0 60 -9,-0.0 -2,-0.1 0, 0.0 -8,-0.1 0.330 103.5 74.9 117.8 -6.5 -10.1 -30.8 7.5 61 79 A N + 0 0 63 -10,-0.3 -9,-0.1 38,-0.0 2,-0.1 0.355 66.7 121.1-115.7 5.6 -6.9 -31.4 5.5 62 80 A E - 0 0 33 -13,-0.0 2,-0.4 2,-0.0 -11,-0.2 -0.329 39.8-168.1 -71.9 150.7 -5.3 -28.0 5.7 63 81 A Q E -N 50 0C 38 -13,-1.9 -13,-3.0 -2,-0.1 2,-0.6 -0.973 7.8-163.6-130.2 122.3 -1.9 -27.1 7.2 64 82 A F E +N 49 0C 77 -2,-0.4 2,-0.4 -15,-0.2 -15,-0.2 -0.932 16.7 170.0-106.3 120.0 -1.3 -23.4 7.7 65 83 A I E -N 48 0C 13 -17,-2.6 -17,-2.9 -2,-0.6 -2,-0.1 -0.993 29.2-126.5-137.1 125.2 2.4 -22.6 8.2 66 84 A S E -N 47 0C 51 -2,-0.4 25,-2.9 -19,-0.3 2,-0.3 -0.344 28.3-112.5 -64.5 147.9 4.1 -19.2 8.2 67 85 A A E -O 90 0C 20 -21,-2.7 23,-0.3 23,-0.2 3,-0.1 -0.622 23.9-170.3 -75.9 139.1 7.0 -18.4 6.0 68 86 A S E S+ 0 0 65 21,-2.8 2,-0.3 1,-0.3 22,-0.2 0.702 72.2 3.6 -94.3 -25.2 10.3 -17.9 7.8 69 87 A K E -O 89 0C 91 20,-1.2 20,-2.7 2,-0.0 2,-0.4 -0.981 57.5-158.6-158.6 143.3 12.2 -16.6 4.7 70 88 A S E -O 88 0C 40 -2,-0.3 2,-0.4 18,-0.2 18,-0.2 -0.989 7.8-163.2-127.5 143.0 11.6 -15.8 1.1 71 89 A I E -O 87 0C 37 16,-2.9 16,-2.5 -2,-0.4 2,-0.2 -0.945 5.1-157.8-129.0 102.3 14.3 -15.7 -1.5 72 90 A V E -O 86 0C 47 -2,-0.4 14,-0.2 14,-0.2 12,-0.1 -0.581 43.2 -86.8 -71.7 143.7 13.6 -13.9 -4.8 73 91 A H > - 0 0 22 12,-2.3 3,-1.9 10,-0.3 -1,-0.1 -0.200 35.5-121.3 -54.0 143.3 15.9 -15.1 -7.6 74 92 A P T 3 S+ 0 0 99 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.828 110.9 39.1 -53.5 -36.7 19.1 -13.1 -7.7 75 93 A S T 3 S+ 0 0 74 2,-0.1 -2,-0.1 8,-0.0 2,-0.1 0.152 79.3 144.1-106.7 16.7 18.4 -11.9 -11.3 76 94 A Y < - 0 0 55 -3,-1.9 2,-0.5 9,-0.1 7,-0.2 -0.369 31.1-163.7 -59.1 132.4 14.7 -11.3 -11.1 77 95 A N > - 0 0 66 5,-2.1 4,-2.1 1,-0.1 5,-0.5 -0.968 7.3-163.8-119.1 111.5 13.7 -8.3 -13.2 78 96 A S T 4 S+ 0 0 76 -2,-0.5 -1,-0.1 1,-0.2 -2,-0.0 0.662 86.9 57.0 -71.1 -18.3 10.2 -7.0 -12.3 79 97 A N T 4 S+ 0 0 150 1,-0.1 -1,-0.2 3,-0.1 -2,-0.0 0.898 123.3 21.1 -79.2 -42.5 9.9 -5.0 -15.5 80 98 A T T 4 S- 0 0 74 -3,-0.1 -2,-0.2 2,-0.1 -1,-0.1 0.575 96.8-129.8 -96.7 -15.0 10.5 -7.9 -17.9 81 99 A L >< + 0 0 33 -4,-2.1 3,-0.9 1,-0.3 2,-0.2 0.576 50.1 159.3 63.0 19.0 9.5 -10.7 -15.6 82 100 A N T 3 + 0 0 37 -5,-0.5 -5,-2.1 1,-0.2 -1,-0.3 -0.479 67.2 15.4 -67.3 138.3 12.8 -12.5 -16.5 83 101 A N T 3 S+ 0 0 18 -7,-0.2 2,-2.1 -2,-0.2 -10,-0.3 0.903 79.8 179.3 63.1 47.3 13.7 -15.0 -13.8 84 102 A D < + 0 0 0 -3,-0.9 2,-0.3 75,-0.2 123,-0.2 -0.470 37.2 109.8 -83.8 77.4 10.2 -14.9 -12.2 85 103 A I + 0 0 0 -2,-2.1 -12,-2.3 -47,-0.3 2,-0.3 -0.997 37.3 174.8-151.1 142.7 10.8 -17.4 -9.5 86 104 A M E -MO 37 72C 0 -49,-2.3 -49,-2.5 -2,-0.3 2,-0.4 -0.979 21.0-135.5-145.2 160.2 11.2 -17.3 -5.7 87 105 A L E -MO 36 71C 0 -16,-2.5 -16,-2.9 -2,-0.3 2,-0.4 -0.917 13.6-161.8-114.8 141.8 11.6 -19.8 -2.9 88 106 A I E -MO 35 70C 0 -53,-2.6 -53,-2.5 -2,-0.4 2,-0.4 -0.996 6.9-151.1-126.8 123.5 9.8 -19.7 0.4 89 107 A K E -MO 34 69C 41 -20,-2.7 -21,-2.8 -2,-0.4 -20,-1.2 -0.821 16.5-131.3 -94.8 136.9 10.9 -21.6 3.5 90 108 A L E - 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