==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=21-AUG-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE/HYDROLASE INHIBITOR 05-JAN-11 3ATM . COMPND 2 MOLECULE: CATIONIC TRYPSIN; . SOURCE 2 ORGANISM_SCIENTIFIC: BOS TAURUS; . AUTHOR J.YAMANE,M.YAO,I.TANAKA . 223 1 6 6 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9259.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 129 57.8 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 . 11 4.9 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 19 A I 0 0 2 0, 0.0 2,-0.4 0, 0.0 3,-0.3 0.000 360.0 360.0 360.0 125.2 -8.1 -8.5 14.5 2 20 A V B +A 171 0A 10 169,-2.8 169,-1.8 1,-0.2 123,-0.1 -0.883 360.0 5.1-100.5 131.7 -10.3 -9.2 17.5 3 21 A G S S+ 0 0 47 121,-0.5 -1,-0.2 -2,-0.4 169,-0.1 0.723 102.8 120.3 72.6 24.2 -12.0 -6.4 19.3 4 22 A G - 0 0 34 -3,-0.3 2,-0.3 167,-0.1 134,-0.2 0.008 57.2-108.7-100.5-157.5 -10.8 -3.8 16.9 5 23 A Y E -B 137 0B 94 132,-2.4 132,-2.7 -3,-0.1 2,-0.5 -0.924 33.9 -91.8-136.0 158.6 -12.4 -1.2 14.6 6 24 A T E -B 136 0B 75 -2,-0.3 130,-0.2 130,-0.2 129,-0.1 -0.657 35.8-151.1 -70.6 120.9 -12.9 -0.7 10.9 7 25 A a - 0 0 19 128,-1.5 -1,-0.2 -2,-0.5 129,-0.1 0.870 34.8-113.9 -62.0 -41.2 -9.9 1.4 9.9 8 26 A G > - 0 0 26 127,-0.5 3,-1.6 -3,-0.1 4,-0.2 0.015 48.2 -55.7 104.1 142.0 -11.6 3.1 7.0 9 27 A A T 3 S- 0 0 54 1,-0.3 44,-0.1 2,-0.1 43,-0.0 -0.251 116.9 -11.0 -62.8 129.6 -10.6 2.7 3.4 10 28 A N T 3 S+ 0 0 26 42,-0.4 -1,-0.3 2,-0.1 43,-0.1 0.661 90.9 126.8 62.1 23.3 -6.9 3.4 2.6 11 29 A T S < S+ 0 0 82 -3,-1.6 -2,-0.1 1,-0.2 -1,-0.1 0.487 73.2 50.1 -82.5 -5.8 -6.2 5.0 6.0 12 30 A V S > S+ 0 0 7 -4,-0.2 3,-1.8 87,-0.1 -1,-0.2 -0.727 73.8 176.3-131.1 75.2 -3.3 2.6 6.6 13 31 A P T 3 S+ 0 0 31 0, 0.0 88,-1.4 0, 0.0 38,-0.3 0.538 72.3 55.8 -69.6 -15.7 -1.5 3.2 3.3 14 32 A Y T 3 S+ 0 0 20 86,-0.2 15,-2.4 88,-0.1 2,-0.4 0.480 81.8 108.5 -89.3 -8.1 1.5 1.0 4.0 15 33 A Q E < -J 28 0C 7 -3,-1.8 37,-0.4 13,-0.2 36,-0.4 -0.597 49.4-173.8 -76.5 126.3 -0.6 -2.1 4.8 16 34 A V E -J 27 0C 1 11,-2.3 11,-1.2 -2,-0.4 2,-0.4 -0.803 20.3-138.7-114.2 158.9 -0.4 -4.7 2.1 17 35 A S E -JK 26 49C 0 32,-2.0 32,-2.5 -2,-0.3 2,-0.5 -0.973 14.4-144.7-109.8 131.4 -2.2 -8.0 1.5 18 36 A L E -JK 25 48C 0 7,-2.6 6,-2.2 -2,-0.4 7,-0.9 -0.870 23.6-168.3 -95.0 126.9 -0.1 -11.0 0.3 19 37 A N E +JK 23 47C 22 28,-2.6 28,-2.3 -2,-0.5 4,-0.2 -0.974 29.9 168.1-127.9 129.3 -2.2 -13.1 -2.1 20 38 A S S S- 0 0 30 2,-2.0 3,-0.1 -2,-0.4 26,-0.1 -0.325 97.1 -46.6-127.9 45.1 -1.6 -16.6 -3.6 21 39 A G S S+ 0 0 70 26,-0.1 2,-0.3 1,-0.0 -2,-0.1 0.063 141.0 28.1 99.9 -13.8 -5.1 -17.0 -5.0 22 40 A Y S S- 0 0 128 -4,-0.0 -2,-2.0 0, 0.0 2,-0.3 -0.945 102.8 -81.2-163.6 158.2 -6.4 -15.8 -1.7 23 41 A H E +J 19 0C 37 -2,-0.3 -4,-0.2 -4,-0.2 3,-0.1 -0.596 51.8 158.4 -67.2 127.1 -5.2 -13.4 1.1 24 42 A F E + 0 0 32 -6,-2.2 2,-0.3 1,-0.3 151,-0.2 0.458 57.1 3.6-122.4 -16.0 -2.9 -15.4 3.4 25 43 A b E -J 18 0C 7 -7,-0.9 -7,-2.6 151,-0.1 -1,-0.3 -0.994 61.4-117.4-163.2 158.4 -0.8 -12.7 5.2 26 44 A G E +J 17 0C 1 151,-3.2 12,-0.4 -2,-0.3 2,-0.3 -0.513 27.1 177.5 -95.6 174.3 -0.2 -9.1 5.8 27 45 A G E -J 16 0C 0 -11,-1.2 -11,-2.3 -2,-0.2 2,-0.4 -0.961 24.2-120.4-163.0 172.0 2.8 -7.0 5.1 28 46 A S E -JL 15 36C 1 8,-2.0 8,-2.3 -2,-0.3 2,-0.6 -0.994 20.2-133.3-127.8 127.3 4.2 -3.4 5.3 29 47 A L E + L 0 35C 1 -15,-2.4 74,-2.0 -2,-0.4 6,-0.2 -0.687 27.5 172.0 -76.8 122.5 5.5 -1.4 2.4 30 48 A I E - 0 0 20 4,-2.0 2,-0.2 -2,-0.6 5,-0.1 0.552 67.3 -4.4-112.4 -13.7 8.8 0.1 3.3 31 49 A N E > S- L 0 34C 47 3,-1.2 3,-0.8 73,-0.1 -1,-0.3 -0.927 89.9 -79.5-158.3-177.3 9.8 1.5 -0.1 32 50 A S T 3 S+ 0 0 39 -2,-0.2 62,-3.1 1,-0.2 60,-0.1 0.682 127.5 26.2 -62.0 -20.6 8.5 1.5 -3.6 33 51 A Q T 3 S+ 0 0 73 60,-0.2 57,-2.6 1,-0.1 2,-0.4 0.406 110.2 72.3-121.8 2.5 9.8 -2.0 -4.3 34 52 A W E < -LM 31 89C 1 -3,-0.8 -4,-2.0 55,-0.2 -3,-1.2 -0.981 47.7-170.2-132.1 141.1 10.0 -3.8 -0.9 35 53 A V E -LM 29 88C 0 53,-2.4 53,-2.7 -2,-0.4 2,-0.4 -0.940 13.2-147.5-122.8 141.4 7.7 -5.3 1.6 36 54 A V E +LM 28 87C 1 -8,-2.3 -8,-2.0 -2,-0.3 2,-0.2 -0.917 33.7 145.8-107.8 135.2 8.4 -6.5 5.1 37 55 A S E - M 0 86C 0 49,-2.6 49,-2.1 -2,-0.4 2,-0.3 -0.742 49.9 -64.9-148.9-170.8 6.4 -9.4 6.4 38 56 A A > - 0 0 0 -12,-0.4 3,-1.8 47,-0.2 47,-0.2 -0.735 31.2-133.9 -89.4 144.9 6.8 -12.5 8.6 39 57 A A G > S+ 0 0 3 -2,-0.3 3,-2.1 1,-0.3 -1,-0.1 0.838 108.3 63.5 -62.6 -35.0 9.1 -15.4 7.7 40 58 A H G 3 S+ 0 0 62 1,-0.3 -1,-0.3 41,-0.1 137,-0.0 0.587 93.1 65.2 -66.2 -8.8 6.3 -17.7 8.6 41 59 A b G < S+ 0 0 4 -3,-1.8 -1,-0.3 -15,-0.0 -2,-0.2 0.400 76.3 131.5 -87.7 0.3 4.4 -16.1 5.8 42 60 A Y < + 0 0 132 -3,-2.1 2,-0.3 -4,-0.1 -3,-0.0 -0.296 21.6 131.6 -62.6 133.4 7.0 -17.5 3.3 43 61 A K - 0 0 55 3,-0.0 3,-0.3 0, 0.0 2,-0.2 -0.934 52.3-101.2-162.8 168.5 5.6 -19.2 0.2 44 62 A S S S+ 0 0 97 -2,-0.3 0, 0.0 1,-0.2 0, 0.0 -0.507 93.9 39.7 -88.9 166.8 6.1 -19.2 -3.5 45 63 A G S S+ 0 0 66 1,-0.2 2,-0.4 -2,-0.2 -1,-0.2 0.842 73.6 169.4 67.2 39.5 3.8 -17.4 -6.0 46 64 A I - 0 0 9 -3,-0.3 21,-2.3 -26,-0.1 2,-0.4 -0.691 19.9-166.5 -87.1 133.0 3.1 -14.3 -4.0 47 65 A Q E -KN 19 66C 50 -28,-2.3 -28,-2.6 -2,-0.4 2,-0.4 -0.976 18.8-137.6-111.1 128.9 1.3 -11.3 -5.5 48 66 A V E -KN 18 65C 0 17,-2.8 17,-2.4 -2,-0.4 2,-0.6 -0.764 14.3-158.5 -88.1 130.7 1.5 -8.2 -3.4 49 67 A R E +KN 17 64C 50 -32,-2.5 -32,-2.0 -2,-0.4 3,-0.3 -0.940 14.0 179.9-116.5 110.5 -1.8 -6.2 -3.2 50 68 A L E + N 0 63C 2 13,-2.6 13,-1.6 -2,-0.6 -34,-0.1 -0.625 59.8 33.6-104.5 161.1 -1.4 -2.6 -2.3 51 69 A G S S+ 0 0 5 -36,-0.4 10,-0.3 -38,-0.3 2,-0.2 0.716 84.5 155.8 68.6 22.0 -4.1 0.1 -1.9 52 70 A E + 0 0 9 -37,-0.4 -42,-0.4 -3,-0.3 -1,-0.2 -0.580 22.8 148.4 -86.5 142.6 -6.6 -2.5 -0.5 53 71 A D S S+ 0 0 15 1,-0.4 2,-0.8 4,-0.2 -1,-0.1 0.291 82.0 30.9-122.6 -81.8 -9.6 -2.0 1.7 54 72 A N S > S- 0 0 29 1,-0.2 3,-1.2 80,-0.2 -1,-0.4 -0.637 73.4-161.2 -76.7 112.7 -12.1 -4.7 0.8 55 73 A I T 3 S+ 0 0 31 78,-2.3 -1,-0.2 -2,-0.8 79,-0.1 0.550 86.0 54.0 -73.0 -7.5 -9.9 -7.5 -0.4 56 74 A N T 3 S+ 0 0 128 77,-0.2 2,-0.4 1,-0.1 -1,-0.2 0.422 105.2 55.9-102.7 -3.2 -12.8 -9.2 -2.2 57 75 A V S < S- 0 0 75 -3,-1.2 2,-0.8 76,-0.1 -4,-0.2 -0.996 78.3-126.6-132.6 138.4 -13.8 -6.2 -4.3 58 76 A V + 0 0 113 -2,-0.4 -3,-0.1 1,-0.2 -6,-0.0 -0.740 33.6 172.0 -84.7 111.7 -11.9 -4.1 -6.8 59 77 A E - 0 0 98 -2,-0.8 -1,-0.2 -5,-0.2 -7,-0.0 0.554 50.6-101.0-103.0 -7.8 -12.6 -0.6 -5.4 60 78 A G S S+ 0 0 60 -9,-0.0 -2,-0.1 0, 0.0 -8,-0.1 0.287 102.8 77.8 110.0 -3.9 -10.2 1.4 -7.6 61 79 A N + 0 0 69 -10,-0.3 2,-0.1 38,-0.0 -9,-0.1 0.369 67.6 115.5-110.0 4.9 -7.2 2.2 -5.6 62 80 A E - 0 0 30 -13,-0.0 2,-0.4 2,-0.0 -11,-0.2 -0.404 43.2-164.2 -74.1 150.2 -5.3 -1.1 -5.7 63 81 A Q E -N 50 0C 40 -13,-1.6 -13,-2.6 -2,-0.1 2,-0.5 -0.988 8.0-162.0-126.2 127.7 -2.0 -2.0 -7.3 64 82 A F E +N 49 0C 76 -2,-0.4 2,-0.4 -15,-0.2 -15,-0.2 -0.939 18.1 168.5-109.2 118.0 -1.4 -5.7 -7.8 65 83 A I E -N 48 0C 14 -17,-2.4 -17,-2.8 -2,-0.5 -2,-0.0 -0.993 29.7-126.0-135.3 126.3 2.3 -6.5 -8.3 66 84 A S E -N 47 0C 51 -2,-0.4 25,-2.7 -19,-0.2 2,-0.3 -0.326 28.1-112.3 -68.3 149.2 4.0 -9.9 -8.3 67 85 A A E -O 90 0C 21 -21,-2.3 23,-0.2 23,-0.2 3,-0.1 -0.659 22.1-168.3 -78.6 135.0 6.9 -10.7 -6.1 68 86 A S E S+ 0 0 60 21,-2.3 2,-0.3 1,-0.3 22,-0.2 0.676 71.9 0.2 -89.1 -29.7 10.2 -11.2 -7.9 69 87 A K E -O 89 0C 86 20,-1.1 20,-2.7 2,-0.0 2,-0.4 -0.970 55.8-152.0-157.9 151.3 12.0 -12.5 -4.9 70 88 A S E -O 88 0C 40 -2,-0.3 2,-0.4 18,-0.2 18,-0.2 -0.969 8.7-164.0-123.4 139.3 11.6 -13.3 -1.2 71 89 A I E -O 87 0C 35 16,-2.7 16,-2.4 -2,-0.4 2,-0.3 -0.943 5.5-160.5-125.4 105.7 14.3 -13.3 1.4 72 90 A V E -O 86 0C 47 -2,-0.4 14,-0.2 14,-0.2 12,-0.1 -0.646 40.6 -90.8 -79.2 145.8 13.7 -15.0 4.7 73 91 A H > - 0 0 24 12,-2.1 3,-1.7 -2,-0.3 -1,-0.1 -0.263 32.9-127.5 -59.1 138.2 16.0 -14.0 7.5 74 92 A P T 3 S+ 0 0 102 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.749 106.9 45.8 -62.6 -26.1 19.0 -16.2 7.6 75 93 A S T 3 S+ 0 0 73 8,-0.1 2,-0.1 2,-0.1 -2,-0.1 0.277 78.1 135.9-102.5 9.4 18.5 -17.0 11.3 76 94 A Y < - 0 0 51 -3,-1.7 2,-0.5 9,-0.1 7,-0.2 -0.386 35.9-164.0 -59.4 129.6 14.8 -17.7 11.2 77 95 A N > - 0 0 63 5,-1.8 4,-2.1 1,-0.1 5,-0.4 -0.985 7.7-159.8-115.3 113.0 13.9 -20.7 13.2 78 96 A S T 4 S+ 0 0 77 -2,-0.5 -1,-0.1 1,-0.2 -2,-0.0 0.672 89.1 56.1 -65.7 -22.5 10.4 -22.0 12.4 79 97 A N T 4 S+ 0 0 147 1,-0.1 -1,-0.2 3,-0.1 -3,-0.0 0.945 122.3 22.1 -74.3 -50.5 10.1 -23.9 15.6 80 98 A T T 4 S- 0 0 74 2,-0.1 -2,-0.2 76,-0.0 77,-0.1 0.623 96.3-132.7 -87.2 -18.3 10.8 -21.0 18.0 81 99 A L >< + 0 0 32 -4,-2.1 3,-0.7 1,-0.3 2,-0.2 0.604 48.7 159.7 68.3 18.7 9.8 -18.3 15.6 82 100 A N T 3 + 0 0 39 -5,-0.4 -5,-1.8 1,-0.2 -1,-0.3 -0.521 65.9 17.1 -67.2 139.3 12.9 -16.4 16.5 83 101 A N T 3 S+ 0 0 18 -2,-0.2 2,-1.9 -7,-0.2 -1,-0.2 0.907 79.8 179.9 61.7 45.7 13.8 -13.9 13.8 84 102 A D < + 0 0 1 -3,-0.7 2,-0.3 75,-0.2 123,-0.2 -0.535 34.9 115.1 -82.1 73.5 10.3 -14.0 12.2 85 103 A I + 0 0 0 -2,-1.9 -12,-2.1 -47,-0.2 2,-0.3 -0.997 36.3 178.2-145.4 147.1 11.0 -11.6 9.4 86 104 A M E -MO 37 72C 0 -49,-2.1 -49,-2.6 -2,-0.3 2,-0.4 -0.991 18.3-140.9-150.1 144.0 11.1 -11.6 5.7 87 105 A L E -MO 36 71C 0 -16,-2.4 -16,-2.7 -2,-0.3 2,-0.4 -0.905 13.0-165.6-104.7 142.8 11.6 -9.2 2.8 88 106 A I E -MO 35 70C 0 -53,-2.7 -53,-2.4 -2,-0.4 2,-0.4 -0.994 8.1-151.9-124.7 125.1 9.6 -9.4 -0.5 89 107 A K E -MO 34 69C 42 -20,-2.7 -21,-2.3 -2,-0.4 -20,-1.1 -0.857 15.9-130.1 -97.4 134.1 10.8 -7.5 -3.5 90 108 A L E - 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