==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=17-JUN-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE/HYDROLASE INHIBITOR 20-NOV-05 2F3C . COMPND 2 MOLECULE: CATIONIC TRYPSIN; . SOURCE 2 ORGANISM_SCIENTIFIC: BOS TAURUS; . AUTHOR I.T.N.CAMPOS,A.S.TANAKA,J.A.R.G.BARBOSA . 267 3 9 8 1 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10910.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 171 64.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 2 0.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 82 30.7 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 3 1.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 2 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 1 0.4 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 . 21 7.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 23 8.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 23 8.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 1 0.4 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 1 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 3 3 6 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 1 0 0 0 1 0 0 1 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 E I 0 0 3 0, 0.0 2,-0.4 0, 0.0 3,-0.4 0.000 360.0 360.0 360.0 117.3 12.2 13.7 21.2 2 17 E V B +A 170 0A 9 168,-3.1 168,-2.3 1,-0.2 122,-0.2 -0.844 360.0 8.7-100.5 136.0 15.2 14.5 19.0 3 18 E G S S+ 0 0 42 120,-0.7 -1,-0.2 -2,-0.4 166,-0.1 0.622 104.7 115.7 73.2 15.6 16.0 18.1 18.0 4 19 E G - 0 0 33 -3,-0.4 2,-0.3 166,-0.2 133,-0.2 0.077 56.4-124.0 -97.4-152.0 13.4 19.4 20.4 5 20 E Y E -B 136 0B 86 131,-2.4 131,-3.8 -3,-0.1 2,-0.5 -0.916 36.9 -72.0-153.5 169.5 13.6 21.5 23.5 6 21 E T E -B 135 0B 72 -2,-0.3 129,-0.2 129,-0.2 128,-0.1 -0.597 35.9-152.9 -76.6 122.1 12.7 21.5 27.2 7 22 E a - 0 0 15 127,-1.9 -1,-0.2 -2,-0.5 128,-0.1 0.920 36.6-120.8 -57.3 -44.9 8.9 21.9 27.5 8 23 E G > - 0 0 25 126,-0.5 3,-1.5 -3,-0.1 4,-0.4 -0.033 39.0 -63.6 100.8 143.3 9.1 23.5 30.9 9 24 E A T 3 S+ 0 0 54 1,-0.2 44,-0.1 2,-0.1 43,-0.0 -0.284 119.8 2.6 -56.2 139.5 7.4 22.1 34.0 10 25 E N T 3 S+ 0 0 112 42,-0.2 -1,-0.2 2,-0.2 43,-0.1 0.504 96.9 112.7 63.8 5.1 3.5 22.0 33.9 11 26 E T S < S+ 0 0 81 -3,-1.5 -1,-0.1 1,-0.3 -2,-0.1 0.660 83.6 38.5 -84.5 -15.2 3.6 23.3 30.3 12 27 E V S > S+ 0 0 8 -4,-0.4 3,-2.2 1,-0.1 -1,-0.3 -0.537 73.9 166.1-127.2 69.1 2.2 20.0 29.0 13 28 E P T 3 S+ 0 0 36 0, 0.0 87,-1.3 0, 0.0 38,-0.3 0.648 73.6 55.2 -66.1 -19.9 -0.2 19.2 31.8 14 29 E Y T 3 S+ 0 0 16 85,-0.2 15,-3.1 87,-0.1 2,-0.4 0.540 82.8 108.3 -87.5 -10.6 -2.0 16.4 29.8 15 30 E Q E < -K 28 0C 2 -3,-2.2 36,-0.6 13,-0.2 37,-0.5 -0.555 49.0-177.7 -68.4 123.5 1.4 14.6 29.2 16 31 E V E -KL 27 50C 1 11,-2.6 11,-1.3 -2,-0.4 2,-0.4 -0.852 21.4-137.2-118.4 158.1 1.6 11.4 31.2 17 32 E S E -KL 26 49C 1 32,-2.0 32,-3.0 -2,-0.3 2,-0.5 -0.955 14.7-141.7-109.5 132.5 4.4 8.9 31.5 18 33 E L E -KL 25 48C 0 7,-3.8 6,-2.4 -2,-0.4 7,-1.3 -0.880 26.2-172.0 -95.9 128.9 3.4 5.2 31.5 19 34 E N E +KL 23 47C 13 28,-3.1 28,-2.3 -2,-0.5 4,-0.2 -0.981 31.5 167.1-131.0 130.0 5.5 3.4 33.9 20 35 E S S S- 0 0 44 2,-1.8 3,-0.1 -2,-0.4 -1,-0.1 -0.177 97.3 -44.8-125.3 38.4 5.9 -0.3 34.6 21 36 E G S S+ 0 0 69 26,-0.1 2,-0.3 1,-0.0 -2,-0.1 -0.263 140.0 30.7 119.0 -40.8 9.1 0.0 36.7 22 37 E Y S S- 0 0 79 209,-0.1 -2,-1.8 -4,-0.0 2,-0.2 -0.955 101.6 -86.3-139.1 158.3 10.6 2.5 34.3 23 38 E H E +K 19 0C 12 -2,-0.3 -4,-0.2 -4,-0.2 3,-0.1 -0.482 54.7 154.7 -60.1 133.5 9.1 5.0 31.9 24 39 E F E + 0 0 0 -6,-2.4 207,-2.5 1,-0.5 150,-0.3 0.528 57.8 16.0-138.3 -24.0 8.3 3.2 28.6 25 40 E b E -K 18 0C 0 -7,-1.3 -7,-3.8 205,-0.2 -1,-0.5 -0.980 60.9-131.6-146.7 162.4 5.5 5.2 27.0 26 41 E G E -K 17 0C 0 150,-4.4 12,-0.4 -2,-0.3 2,-0.3 -0.468 24.8-178.8 -97.5 178.1 3.8 8.6 27.0 27 42 E G E -K 16 0C 0 -11,-1.3 -11,-2.6 -2,-0.2 2,-0.5 -0.962 23.7-119.1-166.3 167.4 0.1 9.2 27.1 28 43 E S E -KM 15 36C 0 8,-2.7 8,-2.7 -2,-0.3 2,-0.4 -0.979 19.4-131.9-121.4 126.6 -2.4 12.1 27.1 29 44 E L E + M 0 35C 0 -15,-3.1 73,-2.5 -2,-0.5 6,-0.2 -0.634 28.0 174.0 -66.9 125.1 -4.8 12.7 29.9 30 45 E I E S- 0 0 19 4,-2.7 2,-0.3 1,-0.6 -1,-0.2 0.568 71.4 -7.0-113.5 -18.9 -8.2 13.3 28.1 31 46 E N E > S- M 0 34C 46 3,-1.4 3,-1.1 -3,-0.1 -1,-0.6 -0.917 89.4 -85.1-155.2 177.7 -10.2 13.5 31.2 32 47 E S T 3 S+ 0 0 35 -2,-0.3 62,-2.9 1,-0.3 60,-0.1 0.656 127.3 34.7 -59.6 -18.8 -9.4 12.9 34.9 33 48 E Q T 3 S+ 0 0 82 60,-0.2 57,-3.3 1,-0.1 2,-0.4 0.559 111.6 66.7-107.3 -13.5 -10.0 9.1 34.6 34 49 E W E < -MN 31 89C 2 -3,-1.1 -4,-2.7 55,-0.2 -3,-1.4 -0.918 48.6-174.1-127.3 140.2 -8.8 8.4 31.1 35 50 E V E -MN 29 88C 0 53,-3.4 53,-3.7 -2,-0.4 2,-0.4 -0.973 14.3-148.5-122.4 136.2 -5.5 8.4 29.2 36 51 E V E +MN 28 87C 0 -8,-2.7 -8,-2.7 -2,-0.4 2,-0.2 -0.860 32.9 147.6 -97.9 144.5 -5.0 7.8 25.5 37 52 E S E - N 0 86C 0 49,-2.5 49,-2.3 -2,-0.4 2,-0.2 -0.796 51.7 -64.4-152.6-171.4 -1.8 6.2 24.5 38 53 E A > - 0 0 0 -12,-0.4 3,-0.7 47,-0.3 47,-0.3 -0.633 35.5-132.6 -86.3 148.9 -0.5 3.8 21.7 39 54 E A G > S+ 0 0 2 1,-0.2 3,-1.5 -2,-0.2 -1,-0.1 0.793 109.4 61.9 -72.9 -25.8 -1.9 0.3 21.7 40 55 E H G 3 S+ 0 0 27 1,-0.3 -1,-0.2 41,-0.1 151,-0.0 0.687 92.1 68.3 -69.0 -17.7 1.7 -1.0 21.3 41 56 E b G < S+ 0 0 1 -3,-0.7 -1,-0.3 -15,-0.1 -2,-0.2 0.417 74.6 132.3 -73.5 -0.8 2.2 0.6 24.7 42 57 E Y < + 0 0 120 -3,-1.5 2,-0.3 -5,-0.0 -3,-0.1 -0.332 23.8 153.0 -60.3 127.5 -0.0 -2.0 26.2 43 58 E K - 0 0 40 -2,-0.1 3,-0.3 0, 0.0 2,-0.3 -0.949 45.9-110.0-140.2 159.7 1.3 -3.7 29.3 44 59 E S S S+ 0 0 105 -2,-0.3 23,-0.0 1,-0.2 0, 0.0 -0.652 100.9 22.9 -80.9 154.0 -0.3 -5.3 32.3 45 60 E G S S- 0 0 62 -2,-0.3 2,-0.4 1,-0.2 -1,-0.2 0.976 80.2-178.9 50.5 64.4 0.1 -3.3 35.5 46 61 E I - 0 0 3 -3,-0.3 21,-2.9 21,-0.2 2,-0.5 -0.747 15.2-156.2 -87.3 141.3 0.6 0.1 34.0 47 62 E Q E -LO 19 66C 54 -28,-2.3 -28,-3.1 -2,-0.4 2,-0.4 -0.994 11.9-145.1-111.9 130.2 1.1 2.9 36.5 48 63 E V E -LO 18 65C 0 17,-4.0 17,-2.9 -2,-0.5 2,-0.6 -0.792 8.6-154.0 -95.0 134.4 0.2 6.2 35.0 49 64 E R E -LO 17 64C 45 -32,-3.0 -32,-2.0 -2,-0.4 3,-0.3 -0.939 15.0-174.4-118.1 117.3 2.4 9.1 36.1 50 65 E L E +LO 16 63C 1 13,-3.0 13,-2.5 -2,-0.6 -34,-0.1 -0.769 60.9 26.4-113.5 148.1 0.8 12.5 36.0 51 66 E G S S+ 0 0 10 -36,-0.6 2,-0.3 -38,-0.3 -1,-0.2 0.828 84.6 154.6 70.9 30.9 2.2 16.0 36.7 52 67 E E + 0 0 11 -37,-0.5 -1,-0.3 -3,-0.3 -42,-0.2 -0.679 20.9 151.3 -88.2 141.5 5.7 14.8 35.7 53 68 E D S S+ 0 0 18 1,-0.3 2,-1.0 -2,-0.3 81,-0.3 0.345 81.0 34.7-120.7 -69.7 8.4 17.0 34.4 54 69 E N S > S- 0 0 25 79,-0.2 3,-0.8 3,-0.2 -1,-0.3 -0.768 71.8-167.5 -83.4 106.4 11.6 15.2 35.6 55 70 E I T 3 S+ 0 0 24 77,-2.8 -1,-0.2 -2,-1.0 78,-0.1 0.723 84.0 54.0 -67.4 -19.1 10.6 11.6 35.3 56 71 E N T 3 S+ 0 0 121 76,-0.2 2,-0.5 1,-0.1 -1,-0.2 0.616 103.0 58.2 -91.9 -15.2 13.6 10.6 37.3 57 72 E V S < S- 0 0 79 -3,-0.8 2,-0.9 75,-0.1 -4,-0.3 -0.978 77.3-136.7-124.0 119.5 13.1 12.8 40.3 58 73 E V - 0 0 98 -2,-0.5 -3,-0.1 1,-0.2 -6,-0.0 -0.723 16.3-170.9 -77.7 106.4 10.0 12.6 42.5 59 74 E E - 0 0 81 -2,-0.9 -1,-0.2 -5,-0.2 -7,-0.0 0.858 41.5-117.7 -70.1 -29.0 9.3 16.2 43.0 60 75 E G S S+ 0 0 65 -3,-0.1 -2,-0.1 0, 0.0 -1,-0.1 0.195 99.9 75.7 110.5 -11.8 6.6 15.1 45.6 61 76 E N + 0 0 102 -10,-0.2 -3,-0.0 2,-0.1 -9,-0.0 0.336 68.1 109.9-112.2 0.6 3.5 16.5 43.8 62 77 E E - 0 0 26 1,-0.0 2,-0.5 -13,-0.0 -11,-0.2 -0.215 64.0-129.1 -67.8 167.3 3.1 14.0 41.0 63 78 E Q E -O 50 0C 37 -13,-2.5 -13,-3.0 2,-0.1 2,-0.7 -0.976 16.2-168.4-122.5 116.9 0.3 11.5 40.8 64 79 E F E +O 49 0C 72 -2,-0.5 2,-0.4 -15,-0.2 -15,-0.2 -0.915 19.7 171.5-101.2 110.7 1.2 7.8 40.4 65 80 E I E -O 48 0C 12 -17,-2.9 -17,-4.0 -2,-0.7 2,-0.1 -0.980 30.2-123.4-128.9 128.9 -2.0 6.1 39.6 66 81 E S E -O 47 0C 57 -2,-0.4 25,-2.9 -19,-0.3 -19,-0.3 -0.428 28.6-111.5 -69.5 140.2 -2.4 2.5 38.5 67 82 E A E -P 90 0C 20 -21,-2.9 23,-0.3 23,-0.2 -21,-0.2 -0.541 28.5-171.0 -59.6 130.3 -4.2 1.7 35.2 68 83 E S E S+ 0 0 61 21,-4.4 2,-0.4 1,-0.5 22,-0.2 0.817 75.3 12.5 -95.1 -40.4 -7.4 -0.0 36.2 69 84 E K E -P 89 0C 84 20,-1.1 20,-3.0 -3,-0.1 2,-0.5 -0.993 61.6-164.2-128.6 143.5 -8.3 -0.9 32.6 70 85 E S E -P 88 0C 28 -2,-0.4 2,-0.8 18,-0.2 18,-0.2 -0.927 14.7-171.1-123.8 107.4 -6.1 -0.8 29.6 71 86 E I E -P 87 0C 38 16,-3.4 16,-2.6 -2,-0.5 2,-0.1 -0.830 5.0-161.4-106.8 97.3 -8.3 -1.0 26.5 72 87 E V E -P 86 0C 52 -2,-0.8 14,-0.2 14,-0.3 12,-0.1 -0.404 40.7 -91.5 -66.7 151.6 -6.5 -1.4 23.1 73 88 E H > - 0 0 20 12,-2.4 3,-2.6 10,-0.4 -1,-0.1 -0.475 33.9-129.0 -61.1 134.7 -8.5 -0.6 20.0 74 89 E P T 3 S+ 0 0 111 0, 0.0 -1,-0.2 0, 0.0 -2,-0.1 0.591 110.1 49.7 -71.7 -3.9 -10.2 -3.9 18.9 75 90 E S T 3 S+ 0 0 69 8,-0.1 2,-0.3 2,-0.0 -2,-0.1 0.178 79.5 136.1-105.3 10.3 -8.8 -3.2 15.4 76 91 E Y < - 0 0 49 -3,-2.6 2,-0.7 9,-0.1 7,-0.2 -0.446 40.8-159.6 -63.8 122.9 -5.3 -2.6 16.7 77 92 E N > - 0 0 56 5,-2.8 4,-3.1 -2,-0.3 5,-0.4 -0.913 9.8-166.0-106.2 110.8 -2.9 -4.4 14.4 78 93 E S T 4 S+ 0 0 75 -2,-0.7 -1,-0.1 1,-0.2 -2,-0.0 0.679 89.3 53.5 -70.5 -15.9 0.5 -5.0 16.1 79 94 E N T 4 S+ 0 0 142 1,-0.1 -1,-0.2 3,-0.1 -3,-0.0 0.842 125.9 19.2 -86.7 -37.0 2.0 -5.9 12.8 80 95 E T T 4 S- 0 0 70 -3,-0.1 -2,-0.2 2,-0.1 3,-0.1 0.658 95.3-132.4-104.6 -19.9 1.0 -2.8 10.8 81 96 E L >< + 0 0 15 -4,-3.1 3,-1.0 1,-0.3 2,-0.2 0.655 50.3 156.9 68.3 21.1 0.3 -0.6 13.9 82 97 E N T 3 + 0 0 32 -5,-0.4 -5,-2.8 1,-0.3 -1,-0.3 -0.579 67.6 17.0 -71.3 138.2 -2.9 0.4 12.3 83 98 E N T 3 S+ 0 0 18 -2,-0.2 2,-2.2 -7,-0.2 -10,-0.4 0.868 80.5 174.9 65.5 38.6 -5.3 1.6 15.0 84 99 E D < + 0 0 0 -3,-1.0 2,-0.3 74,-0.2 -1,-0.2 -0.540 32.4 121.1 -77.5 77.1 -2.4 2.0 17.4 85 100 E I - 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