==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=8-JAN-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 22-JUL-11 3T25 . COMPND 2 MOLECULE: CATIONIC TRYPSIN; . SOURCE 2 ORGANISM_SCIENTIFIC: BOS TAURUS; . AUTHOR J.CAHN,M.VENKAT,H.MARSHALL,D.JUERS . 223 1 6 6 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9378.0 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 . 67 30.0 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 . 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 . 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 . 2 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 0.000 360.0 360.0 360.0 127.3 -8.0 8.8 19.3 2 17 A V B +A 171 0A 10 169,-2.9 169,-1.8 1,-0.2 123,-0.1 -0.875 360.0 5.8-104.4 130.4 -10.4 9.5 16.3 3 18 A G S S+ 0 0 46 121,-0.5 -1,-0.2 -2,-0.5 2,-0.1 0.734 101.1 121.9 74.9 22.9 -12.1 6.6 14.5 4 19 A G - 0 0 35 -3,-0.3 2,-0.3 167,-0.1 134,-0.2 -0.056 56.6-110.5 -99.2-157.9 -10.9 4.0 17.0 5 20 A Y E -B 137 0B 101 132,-2.4 132,-3.0 -3,-0.1 2,-0.5 -0.918 35.5 -89.0-135.4 160.3 -12.6 1.4 19.2 6 21 A T E -B 136 0B 73 -2,-0.3 130,-0.2 130,-0.2 129,-0.1 -0.611 36.3-150.2 -72.0 119.7 -13.1 0.9 22.9 7 22 A a - 0 0 17 128,-1.9 -1,-0.2 -2,-0.5 129,-0.1 0.908 33.0-118.7 -57.9 -48.5 -10.0 -1.1 24.0 8 23 A G > - 0 0 26 127,-0.5 3,-1.6 -3,-0.1 4,-0.3 -0.040 46.2 -54.7 110.1 141.9 -11.7 -2.9 26.9 9 24 A A T 3 S- 0 0 47 1,-0.2 44,-0.1 2,-0.1 43,-0.1 -0.256 118.3 -10.7 -55.5 125.6 -10.6 -2.6 30.6 10 25 A N T 3 S+ 0 0 23 42,-0.3 -1,-0.2 2,-0.2 43,-0.1 0.695 90.7 125.4 61.4 27.4 -6.9 -3.5 31.1 11 26 A T S < S+ 0 0 85 -3,-1.6 -2,-0.1 1,-0.3 -1,-0.1 0.570 76.3 48.7 -87.8 -8.7 -6.3 -4.9 27.7 12 27 A V S > S+ 0 0 8 -4,-0.3 3,-1.9 87,-0.1 -1,-0.3 -0.731 75.2 174.9-127.3 75.6 -3.4 -2.4 27.2 13 28 A P T 3 S+ 0 0 30 0, 0.0 88,-1.3 0, 0.0 38,-0.3 0.642 71.4 55.3 -74.5 -12.7 -1.6 -3.1 30.5 14 29 A Y T 3 S+ 0 0 20 86,-0.2 15,-2.2 88,-0.1 2,-0.3 0.422 81.0 112.2 -92.3 -5.9 1.4 -0.9 29.9 15 30 A Q E < -J 28 0C 7 -3,-1.9 36,-0.4 13,-0.2 37,-0.4 -0.586 46.6-173.0 -70.9 130.6 -0.7 2.3 29.2 16 31 A V E -J 27 0C 0 11,-2.4 11,-1.1 -2,-0.3 2,-0.4 -0.866 18.6-141.2-118.8 156.8 -0.4 5.0 31.8 17 32 A S E -JK 26 49C 1 32,-2.0 32,-2.8 -2,-0.3 2,-0.5 -0.957 15.5-141.9-110.0 134.6 -2.2 8.3 32.4 18 33 A L E -JK 25 48C 0 7,-3.0 6,-2.3 -2,-0.4 7,-0.9 -0.873 24.7-167.3 -96.7 128.9 -0.1 11.2 33.6 19 34 A N E +JK 23 47C 21 28,-2.7 28,-2.5 -2,-0.5 4,-0.2 -0.964 32.2 165.8-123.9 131.5 -2.1 13.3 36.0 20 37 A S S S- 0 0 35 2,-2.1 3,-0.1 -2,-0.4 26,-0.1 -0.319 98.2 -46.8-130.1 46.6 -1.6 16.8 37.5 21 38 A G S S+ 0 0 69 26,-0.1 2,-0.3 1,-0.1 -2,-0.1 0.238 139.8 28.0 105.0 -8.7 -5.1 17.1 38.9 22 39 A Y S S- 0 0 129 -4,-0.0 -2,-2.1 0, 0.0 2,-0.3 -0.927 102.3 -80.9-173.0 153.5 -6.6 15.9 35.6 23 40 A H E +J 19 0C 36 -2,-0.3 -4,-0.2 -4,-0.2 3,-0.1 -0.561 51.2 158.1 -67.0 133.4 -5.3 13.6 32.8 24 41 A F E + 0 0 32 -6,-2.3 2,-0.3 1,-0.4 151,-0.2 0.570 57.8 4.0-130.0 -16.1 -3.0 15.5 30.4 25 42 A b E -J 18 0C 7 -7,-0.9 -7,-3.0 151,-0.1 -1,-0.4 -0.981 61.4-121.2-161.9 159.4 -0.8 12.9 28.6 26 43 A G E +J 17 0C 0 151,-3.1 12,-0.4 -2,-0.3 2,-0.3 -0.427 27.6 174.4 -93.1 179.9 -0.3 9.2 28.1 27 44 A G E -J 16 0C 0 -11,-1.1 -11,-2.4 -2,-0.1 2,-0.4 -0.950 25.1-115.6-170.6 177.5 2.9 7.2 28.7 28 45 A S E -JL 15 36C 0 8,-2.3 8,-2.7 -2,-0.3 2,-0.5 -0.996 19.2-129.5-132.1 133.6 4.2 3.6 28.7 29 46 A L E + L 0 35C 1 -15,-2.2 74,-2.1 -2,-0.4 6,-0.2 -0.697 26.1 175.7 -81.2 124.0 5.5 1.6 31.6 30 47 A I E - 0 0 20 4,-2.3 2,-0.3 -2,-0.5 5,-0.2 0.581 67.9 -11.8-110.1 -13.6 8.9 0.1 30.6 31 48 A N E > S- L 0 34C 52 3,-1.2 3,-0.7 70,-0.1 -1,-0.3 -0.930 90.3 -74.4-164.4-172.7 9.7 -1.6 33.9 32 49 A S T 3 S+ 0 0 44 -2,-0.3 62,-3.0 1,-0.2 60,-0.1 0.702 128.0 27.4 -68.3 -14.9 8.5 -1.5 37.5 33 50 A Q T 3 S+ 0 0 59 60,-0.2 57,-2.9 1,-0.1 2,-0.4 0.433 109.8 69.9-123.5 2.9 9.9 1.9 38.2 34 51 A W E < -LM 31 89C 8 -3,-0.7 -4,-2.3 55,-0.2 -3,-1.2 -0.978 48.0-171.3-135.9 140.6 10.1 3.8 34.9 35 52 A V E -LM 29 88C 0 53,-2.6 53,-2.7 -2,-0.4 2,-0.4 -0.939 12.3-148.7-122.8 141.5 7.7 5.4 32.4 36 53 A V E +LM 28 87C 0 -8,-2.7 -8,-2.3 -2,-0.3 2,-0.2 -0.931 30.3 147.5-111.3 139.4 8.5 6.8 29.0 37 54 A S E - M 0 86C 0 49,-2.4 49,-2.1 -2,-0.4 2,-0.3 -0.735 50.3 -65.4-146.1-167.2 6.4 9.7 27.5 38 55 A A > - 0 0 0 -12,-0.4 3,-1.5 47,-0.3 47,-0.3 -0.747 33.2-132.9 -92.1 141.6 6.8 12.7 25.2 39 56 A A G > S+ 0 0 3 -2,-0.3 3,-1.9 1,-0.3 -1,-0.1 0.806 107.4 64.5 -59.2 -32.0 9.1 15.6 26.2 40 57 A H G 3 S+ 0 0 65 1,-0.3 -1,-0.3 41,-0.1 137,-0.0 0.645 93.2 63.9 -71.3 -11.5 6.4 18.0 25.3 41 58 A b G < S+ 0 0 4 -3,-1.5 -1,-0.3 -15,-0.1 -2,-0.2 0.395 76.2 137.2 -81.3 -2.9 4.3 16.5 28.1 42 59 A Y < + 0 0 131 -3,-1.9 2,-0.3 -4,-0.1 -3,-0.1 -0.227 18.6 147.9 -56.7 134.3 6.9 17.7 30.7 43 60 A K - 0 0 57 3,-0.0 3,-0.3 0, 0.0 2,-0.2 -0.953 45.6-113.6-152.1 157.3 5.4 19.3 33.9 44 61 A S S S+ 0 0 103 -2,-0.3 0, 0.0 1,-0.2 0, 0.0 -0.656 95.9 32.8 -86.5 150.1 6.6 19.4 37.5 45 62 A G S S+ 0 0 67 -2,-0.2 2,-0.3 1,-0.2 -1,-0.2 0.873 77.7 173.3 76.8 40.3 4.4 17.5 40.1 46 63 A I - 0 0 6 -3,-0.3 21,-2.3 -26,-0.1 2,-0.5 -0.598 20.6-159.1 -84.2 137.0 3.2 14.5 37.9 47 64 A Q E -KN 19 66C 51 -28,-2.5 -28,-2.7 -2,-0.3 2,-0.4 -0.982 14.6-143.2-108.3 128.7 1.3 11.6 39.4 48 65 A V E -KN 18 65C 0 17,-2.9 17,-2.4 -2,-0.5 2,-0.6 -0.776 11.1-157.1 -92.1 133.0 1.4 8.4 37.2 49 66 A R E -KN 17 64C 51 -32,-2.8 -32,-2.0 -2,-0.4 3,-0.3 -0.933 12.8-176.1-116.3 114.8 -1.8 6.4 37.1 50 67 A L E + N 0 63C 2 13,-3.3 13,-1.8 -2,-0.6 -34,-0.1 -0.621 61.0 31.9-101.9 161.6 -1.5 2.7 36.2 51 69 A G S S+ 0 0 8 -36,-0.4 10,-0.3 -38,-0.3 2,-0.2 0.673 83.8 156.2 71.4 17.1 -4.2 0.1 35.7 52 70 A E + 0 0 10 -37,-0.4 -42,-0.3 -3,-0.3 -1,-0.2 -0.517 21.6 148.2 -82.6 140.1 -6.7 2.7 34.4 53 71 A D S S+ 0 0 15 1,-0.4 2,-0.7 4,-0.3 -1,-0.2 0.327 81.6 30.7-120.5 -77.0 -9.7 2.2 32.2 54 72 A N S > S- 0 0 28 80,-0.2 3,-0.9 1,-0.2 -1,-0.4 -0.695 72.5-161.5 -80.5 115.3 -12.3 4.8 33.2 55 73 A I T 3 S+ 0 0 32 78,-2.4 -1,-0.2 -2,-0.7 79,-0.1 0.547 87.7 51.5 -78.6 -3.4 -10.1 7.7 34.4 56 74 A N T 3 S+ 0 0 118 77,-0.3 2,-0.4 1,-0.1 -1,-0.2 0.406 105.5 58.1-108.7 0.4 -13.0 9.2 36.2 57 75 A V S < S- 0 0 78 -3,-0.9 2,-0.8 76,-0.2 -4,-0.3 -0.991 78.0-128.5-134.7 132.9 -14.1 6.2 38.2 58 76 A V + 0 0 117 -2,-0.4 -3,-0.1 1,-0.2 -6,-0.0 -0.788 33.7 172.0 -81.3 113.7 -12.1 4.1 40.7 59 77 A E - 0 0 101 -2,-0.8 -1,-0.2 -5,-0.2 -7,-0.0 0.572 49.9-101.3-103.6 -15.9 -12.7 0.6 39.4 60 78 A G S S+ 0 0 59 -9,-0.0 -8,-0.1 0, 0.0 -2,-0.1 0.305 102.8 76.7 117.7 -11.8 -10.2 -1.4 41.5 61 79 A N + 0 0 69 -10,-0.3 2,-0.1 38,-0.0 -9,-0.1 0.305 66.7 121.9-108.9 10.1 -7.1 -2.1 39.5 62 80 A E - 0 0 34 -13,-0.0 2,-0.4 -11,-0.0 -11,-0.2 -0.392 39.6-168.4 -75.1 148.6 -5.5 1.3 39.8 63 81 A Q E -N 50 0C 41 -13,-1.8 -13,-3.3 -2,-0.1 2,-0.5 -0.985 6.8-162.9-128.6 125.8 -2.1 2.2 41.2 64 82 A F E +N 49 0C 83 -2,-0.4 2,-0.4 -15,-0.2 -15,-0.2 -0.944 16.6 169.4-109.0 120.5 -1.3 5.9 41.7 65 83 A I E -N 48 0C 16 -17,-2.4 -17,-2.9 -2,-0.5 -2,-0.0 -0.989 28.4-127.9-136.5 125.1 2.4 6.7 42.2 66 84 A S E -N 47 0C 52 -2,-0.4 25,-2.7 -19,-0.2 26,-0.3 -0.350 28.1-111.3 -66.5 149.0 4.1 10.1 42.2 67 85 A A E -O 90 0C 18 -21,-2.3 23,-0.3 23,-0.2 3,-0.1 -0.626 24.8-172.1 -76.8 136.8 7.1 10.8 40.0 68 86 A S E S+ 0 0 63 21,-2.8 2,-0.3 1,-0.4 22,-0.2 0.666 72.5 8.6 -96.7 -25.1 10.5 11.3 41.8 69 87 A K E -O 89 0C 91 20,-1.2 20,-3.1 2,-0.0 2,-0.4 -0.974 58.7-159.5-158.8 136.6 12.5 12.5 38.8 70 88 A S E -O 88 0C 43 -2,-0.3 2,-0.4 18,-0.2 18,-0.2 -0.971 6.8-167.6-119.2 140.3 11.8 13.5 35.2 71 89 A I E -O 87 0C 35 16,-3.0 16,-2.6 -2,-0.4 2,-0.2 -0.923 5.1-160.4-131.8 106.2 14.5 13.5 32.5 72 90 A V E -O 86 0C 49 -2,-0.4 14,-0.2 14,-0.2 12,-0.1 -0.598 43.7 -87.4 -80.1 145.4 13.8 15.2 29.2 73 91 A H > - 0 0 24 12,-2.1 3,-1.8 10,-0.3 -1,-0.1 -0.252 35.5-123.3 -53.9 139.5 16.0 14.1 26.3 74 92 A P T 3 S+ 0 0 104 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.787 109.8 42.7 -57.2 -26.1 19.2 16.2 26.3 75 93 A S T 3 S+ 0 0 74 8,-0.1 -2,-0.1 2,-0.1 7,-0.1 0.200 77.6 143.3-109.7 15.2 18.5 17.2 22.7 76 94 A Y < - 0 0 57 -3,-1.8 2,-0.5 9,-0.1 7,-0.2 -0.297 32.0-163.2 -57.0 128.5 14.8 17.9 22.8 77 95 A N > - 0 0 67 5,-2.2 4,-2.6 1,-0.1 5,-0.4 -0.964 7.5-163.0-118.5 112.1 13.9 20.9 20.6 78 96 A S T 4 S+ 0 0 76 -2,-0.5 -1,-0.1 1,-0.2 -2,-0.0 0.705 87.5 54.5 -72.9 -17.4 10.4 22.3 21.5 79 97 A N T 4 S+ 0 0 153 1,-0.1 -1,-0.2 3,-0.1 -2,-0.0 0.905 124.1 22.9 -78.4 -42.8 10.1 24.2 18.2 80 98 A T T 4 S- 0 0 70 2,-0.1 -2,-0.2 -3,-0.0 -1,-0.1 0.626 95.6-132.5 -95.1 -19.0 10.8 21.2 15.9 81 99 A L >< + 0 0 34 -4,-2.6 3,-0.9 1,-0.3 2,-0.2 0.598 48.8 159.3 64.8 16.9 9.7 18.5 18.4 82 100 A N T 3 + 0 0 36 -5,-0.4 -5,-2.2 1,-0.2 -1,-0.3 -0.517 67.3 16.0 -63.6 133.6 12.9 16.6 17.4 83 101 A N T 3 S+ 0 0 18 -7,-0.2 2,-1.9 -2,-0.2 -10,-0.3 0.888 79.6 178.5 64.7 43.3 13.8 14.1 20.2 84 102 A D < + 0 0 0 -3,-0.9 2,-0.3 75,-0.2 -1,-0.2 -0.517 36.0 113.0 -76.9 81.6 10.3 14.3 21.7 85 103 A I + 0 0 0 -2,-1.9 -12,-2.1 -47,-0.3 2,-0.3 -0.996 37.5 178.2-156.5 141.3 10.9 11.8 24.5 86 104 A M E -MO 37 72C 0 -49,-2.1 -49,-2.4 -2,-0.3 2,-0.4 -0.992 18.5-139.8-143.5 148.8 11.2 11.9 28.3 87 105 A L E -MO 36 71C 0 -16,-2.6 -16,-3.0 -2,-0.3 2,-0.5 -0.889 12.7-163.6-110.8 142.7 11.7 9.4 31.1 88 106 A I E -MO 35 70C 0 -53,-2.7 -53,-2.6 -2,-0.4 2,-0.4 -0.992 7.2-151.6-124.6 122.2 9.8 9.5 34.4 89 107 A K E -MO 34 69C 44 -20,-3.1 -21,-2.8 -2,-0.5 -20,-1.2 -0.827 17.9-131.5 -92.5 135.5 11.0 7.6 37.5 90 108 A L E - 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