==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=24-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE/HYDROLASE INHIBITOR 24-JAN-06 2FTM . COMPND 2 MOLECULE: CATIONIC TRYPSIN; . SOURCE 2 ORGANISM_SCIENTIFIC: BOS TAURUS; . AUTHOR W.M.HANSON,M.P.HORVATH,D.P.GOLDENBERG . 281 3 9 8 1 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11961.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 169 60.1 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 . 81 28.8 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 3 1.1 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 . 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 . 23 8.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 22 7.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 21 7.5 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 1 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 . 5 2 2 5 2 1 1 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 A I 0 0 2 0, 0.0 2,-0.4 0, 0.0 3,-0.3 0.000 360.0 360.0 360.0 121.4 19.6 62.5 13.6 2 17 A V B +A 172 0A 9 170,-2.9 170,-1.9 1,-0.2 124,-0.1 -0.861 360.0 7.9-102.8 134.4 23.4 63.1 13.3 3 18 A G S S+ 0 0 43 122,-0.6 -1,-0.2 -2,-0.4 168,-0.1 0.676 103.4 118.4 72.6 19.5 25.7 60.1 13.6 4 19 A G - 0 0 35 -3,-0.3 2,-0.3 168,-0.1 135,-0.2 0.034 55.9-116.8 -97.5-154.2 22.9 57.6 13.4 5 20 A Y E -B 138 0B 100 133,-2.5 133,-3.4 -3,-0.1 2,-0.5 -0.954 35.1 -83.0-146.6 161.4 21.8 54.8 11.1 6 21 A T E -B 137 0B 75 -2,-0.3 131,-0.2 131,-0.2 130,-0.1 -0.570 35.8-153.6 -69.8 117.2 19.0 53.8 8.9 7 22 A a - 0 0 17 129,-1.9 -1,-0.2 -2,-0.5 130,-0.1 0.919 36.4-116.9 -57.1 -49.3 16.3 52.2 11.1 8 23 A G > - 0 0 24 128,-0.5 3,-2.0 -3,-0.1 4,-0.3 -0.081 48.6 -47.1 114.1 143.0 14.8 50.1 8.5 9 24 A A T 3 S- 0 0 62 1,-0.3 44,-0.1 2,-0.1 43,-0.0 -0.158 121.0 -17.5 -48.1 117.2 11.2 50.3 7.1 10 25 A N T 3 S+ 0 0 25 42,-0.3 -1,-0.3 2,-0.1 43,-0.1 0.707 89.5 133.6 57.4 29.0 8.7 50.5 10.0 11 26 A T S < S+ 0 0 82 -3,-2.0 -2,-0.1 1,-0.3 -1,-0.1 0.561 75.2 48.2 -81.1 -10.0 11.1 49.2 12.6 12 27 A V S > S+ 0 0 6 -4,-0.3 3,-1.9 88,-0.1 -1,-0.3 -0.687 73.8 175.9-128.7 73.3 10.0 52.1 14.9 13 28 A P T 3 S+ 0 0 32 0, 0.0 89,-1.3 0, 0.0 38,-0.3 0.612 74.1 57.3 -56.1 -19.8 6.1 51.7 14.6 14 29 A Y T 3 S+ 0 0 20 87,-0.2 15,-2.5 89,-0.1 2,-0.4 0.511 81.6 105.1 -91.8 -7.9 5.3 54.4 17.1 15 30 A Q E < -K 28 0C 4 -3,-1.9 36,-0.4 13,-0.2 37,-0.4 -0.625 48.9-179.8 -78.0 126.8 7.3 57.1 15.2 16 31 A V E -K 27 0C 1 11,-2.4 11,-1.2 -2,-0.4 2,-0.4 -0.838 22.6-132.1-123.4 160.7 5.1 59.6 13.4 17 32 A S E -KL 26 49C 0 32,-2.0 32,-3.0 -2,-0.3 2,-0.6 -0.938 14.1-141.0-112.5 134.5 5.8 62.6 11.3 18 33 A L E -KL 25 48C 0 7,-3.2 6,-2.3 -2,-0.4 7,-1.0 -0.887 24.8-165.5 -95.7 125.3 3.9 65.9 11.8 19 34 A N E +KL 23 47C 15 28,-2.9 28,-2.2 -2,-0.6 4,-0.2 -0.940 29.9 167.0-120.5 132.6 3.1 67.5 8.5 20 37 A S S S- 0 0 37 2,-2.3 3,-0.1 -2,-0.4 26,-0.1 -0.315 96.7 -46.1-132.1 47.0 2.0 71.1 7.7 21 38 A G S S+ 0 0 71 26,-0.1 2,-0.3 24,-0.1 -2,-0.1 0.301 139.8 19.8 102.2 -5.2 2.6 70.9 4.0 22 39 A Y S S- 0 0 52 -4,-0.0 -2,-2.3 222,-0.0 2,-0.4 -0.910 105.4 -70.4-177.3 165.4 6.0 69.3 4.7 23 40 A H E +K 19 0C 8 -2,-0.3 -4,-0.2 -4,-0.2 3,-0.1 -0.577 54.2 153.6 -73.9 127.5 7.6 67.5 7.6 24 41 A F E + 0 0 0 -6,-2.3 218,-2.5 1,-0.4 2,-0.3 0.528 61.0 4.6-129.6 -14.4 8.4 69.8 10.5 25 42 A b E -K 18 0C 0 -7,-1.0 -7,-3.2 216,-0.2 -1,-0.4 -0.979 61.2-125.9-163.2 165.2 8.4 67.7 13.6 26 43 A G E -K 17 0C 0 152,-3.6 12,-0.4 -2,-0.3 2,-0.3 -0.496 23.4-176.3-108.4-177.1 8.2 64.1 14.9 27 44 A G E -K 16 0C 0 -11,-1.2 -11,-2.4 -2,-0.2 2,-0.4 -0.969 22.6-117.8-170.2 167.8 5.9 62.5 17.5 28 45 A S E -KM 15 36C 2 8,-2.6 8,-3.0 -2,-0.3 2,-0.5 -0.983 21.2-133.3-125.1 126.8 5.2 59.3 19.3 29 46 A L E + M 0 35C 0 -15,-2.5 75,-2.2 -2,-0.4 6,-0.2 -0.635 25.3 174.1 -77.0 121.7 1.9 57.3 19.1 30 47 A I E - 0 0 20 4,-2.5 2,-0.3 -2,-0.5 5,-0.2 0.566 68.4 -10.0-105.0 -12.6 0.7 56.3 22.6 31 48 A N E > S- M 0 34C 51 3,-1.2 3,-1.1 71,-0.1 -1,-0.3 -0.940 89.2 -76.3-169.3 171.0 -2.6 54.9 21.6 32 49 A S T 3 S+ 0 0 36 -2,-0.3 62,-3.2 1,-0.2 60,-0.1 0.678 128.9 28.4 -53.1 -20.6 -4.9 54.7 18.5 33 50 A Q T 3 S+ 0 0 80 60,-0.2 57,-2.8 1,-0.1 2,-0.4 0.416 110.5 71.2-122.1 -0.3 -6.1 58.3 18.9 34 51 A W E < -MN 31 89C 7 -3,-1.1 -4,-2.5 55,-0.2 -3,-1.2 -0.968 46.8-173.8-133.0 141.0 -3.2 60.1 20.7 35 52 A V E -MN 29 88C 0 53,-2.6 53,-3.0 -2,-0.4 2,-0.5 -0.958 15.9-144.1-126.0 139.0 0.3 61.3 19.9 36 53 A V E +MN 28 87C 0 -8,-3.0 -8,-2.6 -2,-0.4 2,-0.2 -0.891 35.2 146.1-103.2 133.0 2.9 62.9 22.2 37 54 A S E - N 0 86C 0 49,-2.8 49,-2.4 -2,-0.5 2,-0.3 -0.741 48.9 -69.2-145.3-168.2 5.1 65.6 20.7 38 55 A A > - 0 0 0 -12,-0.4 3,-1.4 47,-0.3 47,-0.3 -0.685 31.9-128.1 -94.2 151.9 6.8 68.9 21.8 39 56 A A G > S+ 0 0 3 -2,-0.3 3,-1.9 1,-0.3 -1,-0.1 0.865 110.2 59.5 -64.3 -35.5 5.0 72.1 22.8 40 57 A H G 3 S+ 0 0 10 1,-0.3 -1,-0.3 41,-0.1 201,-0.1 0.547 93.2 68.9 -72.3 -3.5 7.2 74.1 20.4 41 58 A b G < + 0 0 0 -3,-1.4 2,-0.4 2,-0.1 -1,-0.3 0.346 68.2 129.4 -91.3 3.5 5.9 71.8 17.6 42 59 A Y < + 0 0 138 -3,-1.9 2,-0.3 220,-0.1 -3,-0.0 -0.467 33.1 156.6 -62.6 119.2 2.4 73.4 18.0 43 60 A K - 0 0 45 -2,-0.4 3,-0.5 0, 0.0 2,-0.3 -0.867 42.9 -94.9-139.0 170.2 1.4 74.4 14.4 44 61 A S S S+ 0 0 98 -2,-0.3 0, 0.0 1,-0.2 0, 0.0 -0.644 98.6 8.4 -91.4 147.0 -1.7 75.1 12.5 45 62 A G S S- 0 0 67 -2,-0.3 -1,-0.2 1,-0.2 2,-0.2 0.863 82.0-168.6 54.8 46.2 -3.5 72.4 10.4 46 63 A I - 0 0 7 -3,-0.5 21,-2.7 -26,-0.1 2,-0.5 -0.425 10.3-165.0 -70.4 135.2 -1.3 69.5 11.6 47 64 A Q E -LO 19 66C 48 -28,-2.2 -28,-2.9 19,-0.2 2,-0.5 -0.990 13.3-142.3-118.9 124.2 -1.6 66.2 9.7 48 65 A V E -LO 18 65C 0 17,-3.2 17,-2.8 -2,-0.5 2,-0.7 -0.775 10.3-157.1 -90.7 127.4 -0.1 63.2 11.4 49 66 A R E -LO 17 64C 53 -32,-3.0 -32,-2.0 -2,-0.5 3,-0.3 -0.915 15.0-178.0-110.2 111.0 1.6 60.7 9.1 50 67 A L E + O 0 63C 1 13,-3.0 13,-2.0 -2,-0.7 -34,-0.1 -0.685 60.1 31.3-104.7 158.7 1.9 57.2 10.5 51 69 A G S S+ 0 0 7 -36,-0.4 10,-0.2 -38,-0.3 2,-0.2 0.701 85.7 153.3 69.2 21.6 3.5 54.1 9.0 52 70 A E + 0 0 10 -37,-0.4 -42,-0.3 -3,-0.3 -1,-0.2 -0.507 21.6 148.5 -87.1 147.7 6.1 56.2 7.3 53 71 A D S S+ 0 0 13 1,-0.4 2,-0.9 4,-0.3 -1,-0.2 0.273 78.1 39.9-131.8 -78.9 9.7 55.3 6.3 54 72 A N S > S- 0 0 27 81,-0.2 3,-0.9 1,-0.2 -1,-0.4 -0.703 72.9-163.1 -78.6 109.3 10.5 57.3 3.2 55 73 A I T 3 S+ 0 0 20 79,-3.1 -1,-0.2 -2,-0.9 80,-0.1 0.578 84.9 50.8 -69.2 -14.9 8.9 60.6 4.0 56 74 A N T 3 S+ 0 0 112 78,-0.2 2,-0.4 1,-0.1 -1,-0.2 0.437 106.6 56.1-104.3 -4.4 9.0 61.8 0.4 57 75 A V S < S- 0 0 80 -3,-0.9 2,-0.7 77,-0.2 -4,-0.3 -0.993 77.8-123.2-136.3 137.4 7.4 58.7 -1.3 58 76 A V + 0 0 115 -2,-0.4 -3,-0.1 1,-0.2 -6,-0.0 -0.675 33.6 172.2 -77.1 111.5 4.1 56.9 -0.9 59 77 A E - 0 0 95 -2,-0.7 -1,-0.2 -5,-0.2 -7,-0.0 0.499 50.7-103.1-100.6 -8.6 5.2 53.3 -0.1 60 78 A G S S+ 0 0 61 0, 0.0 -2,-0.1 0, 0.0 -9,-0.0 0.361 103.7 78.7 106.5 -7.2 1.8 51.7 0.8 61 79 A N + 0 0 65 -10,-0.2 2,-0.1 39,-0.0 -3,-0.0 0.293 66.7 121.5-115.6 10.1 1.8 51.5 4.6 62 80 A E - 0 0 35 -13,-0.0 2,-0.4 2,-0.0 -11,-0.2 -0.381 41.2-167.2 -78.9 151.1 1.0 55.1 5.4 63 81 A Q E -O 50 0C 47 -13,-2.0 -13,-3.0 -2,-0.1 2,-0.7 -0.978 7.0-163.4-136.5 111.4 -2.0 56.5 7.3 64 82 A F E +O 49 0C 80 -2,-0.4 2,-0.4 -15,-0.2 -15,-0.2 -0.919 17.7 170.3-101.2 113.1 -2.5 60.2 7.0 65 83 A I E -O 48 0C 13 -17,-2.8 -17,-3.2 -2,-0.7 2,-0.1 -0.987 28.2-128.0-129.6 127.6 -4.8 61.5 9.8 66 84 A S E -O 47 0C 58 -2,-0.4 25,-3.0 -19,-0.3 2,-0.3 -0.358 28.5-108.5 -71.2 149.2 -5.5 65.1 10.6 67 85 A A E -P 90 0C 24 -21,-2.7 23,-0.2 23,-0.2 3,-0.1 -0.616 27.9-174.8 -76.9 132.2 -5.1 66.4 14.2 68 86 A S E S+ 0 0 56 21,-2.9 2,-0.3 1,-0.4 22,-0.2 0.629 76.0 17.8 -98.4 -22.6 -8.5 67.1 15.8 69 87 A K E -P 89 0C 80 20,-1.2 20,-2.3 2,-0.0 2,-0.4 -0.988 56.6-169.4-149.5 140.6 -6.9 68.6 18.9 70 88 A S E -P 88 0C 35 -2,-0.3 2,-0.8 18,-0.2 18,-0.2 -0.865 15.9-171.7-134.6 94.4 -3.4 69.9 19.7 71 89 A I E -P 87 0C 38 16,-3.2 16,-2.7 -2,-0.4 2,-0.2 -0.827 5.4-161.2 -97.5 106.2 -3.1 70.4 23.5 72 90 A V E -P 86 0C 42 -2,-0.8 14,-0.2 14,-0.2 12,-0.1 -0.583 40.8 -89.9 -81.4 143.5 0.1 72.2 24.6 73 91 A H > - 0 0 21 12,-2.4 3,-2.1 10,-0.3 -1,-0.1 -0.312 34.5-128.5 -54.0 131.7 1.0 71.8 28.3 74 92 A P T 3 S+ 0 0 103 0, 0.0 -1,-0.2 0, 0.0 -2,-0.1 0.700 107.9 48.1 -57.6 -18.3 -0.7 74.6 30.2 75 93 A S T 3 S+ 0 0 72 8,-0.1 -2,-0.1 2,-0.1 2,-0.1 0.243 76.0 139.1-107.8 12.0 2.6 75.5 31.8 76 94 A Y < - 0 0 51 -3,-2.1 2,-0.6 9,-0.1 7,-0.2 -0.368 39.3-155.4 -59.4 129.0 4.8 75.5 28.7 77 95 A N > - 0 0 62 5,-2.2 4,-2.1 1,-0.1 5,-0.2 -0.951 8.1-160.7-112.1 112.3 7.2 78.4 28.9 78 96 A S T 4 S+ 0 0 70 -2,-0.6 186,-0.6 2,-0.2 -1,-0.1 0.562 90.2 48.2 -68.7 -9.8 8.4 79.6 25.5 79 97 A N T 4 S+ 0 0 119 184,-0.1 -1,-0.2 3,-0.1 -3,-0.0 0.884 123.7 25.7 -94.3 -53.6 11.4 81.3 27.1 80 98 A T T 4 S- 0 0 63 2,-0.1 -2,-0.2 1,-0.0 78,-0.1 0.642 96.7-133.1 -84.2 -18.0 12.8 78.7 29.4 81 99 A L >< + 0 0 1 -4,-2.1 3,-0.6 1,-0.2 -3,-0.1 0.553 49.7 157.0 73.6 12.3 11.4 75.8 27.3 82 100 A N T 3 + 0 0 36 -5,-0.2 -5,-2.2 1,-0.2 -1,-0.2 -0.392 60.5 20.4 -68.8 143.9 10.1 74.2 30.5 83 101 A N T 3 S+ 0 0 19 -7,-0.2 2,-2.2 1,-0.2 -10,-0.3 0.881 76.3 177.1 63.6 42.7 7.1 71.8 30.1 84 102 A D < + 0 0 1 -3,-0.6 2,-0.3 76,-0.2 -1,-0.2 -0.457 33.3 116.8 -78.5 72.4 7.9 71.2 26.4 85 103 A I - 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