==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=5-FEB-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 08-DEC-11 4ABB . COMPND 2 MOLECULE: CATIONIC TRYPSIN; . SOURCE 2 ORGANISM_SCIENTIFIC: BOS TAURUS; . AUTHOR J.NEWMAN,T.S.PEAT . 223 1 6 6 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9237.0 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 0 1 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 0.000 360.0 360.0 360.0 123.9 8.0 -20.5 14.5 2 17 A V B +A 171 0A 10 169,-3.0 169,-1.8 1,-0.2 123,-0.1 -0.868 360.0 6.8-101.7 131.9 10.3 -19.6 17.5 3 18 A G S S+ 0 0 46 121,-0.5 -1,-0.2 -2,-0.5 169,-0.1 0.716 102.1 120.4 76.9 20.7 11.9 -22.5 19.3 4 19 A G - 0 0 35 -3,-0.3 2,-0.3 167,-0.1 134,-0.2 0.021 56.2-114.0 -98.9-157.0 10.8 -25.2 16.9 5 20 A Y E -B 137 0B 98 132,-2.4 132,-2.9 -3,-0.1 2,-0.5 -0.944 35.7 -85.9-140.8 156.3 12.6 -27.7 14.7 6 21 A T E -B 136 0B 74 -2,-0.3 130,-0.2 130,-0.2 129,-0.1 -0.564 36.9-152.0 -64.6 120.4 13.0 -28.3 10.9 7 22 A a - 0 0 18 128,-2.0 -1,-0.2 -2,-0.5 129,-0.1 0.880 35.5-113.6 -62.7 -44.5 9.9 -30.4 10.0 8 23 A G > - 0 0 25 127,-0.5 3,-2.0 -3,-0.0 4,-0.3 0.062 47.1 -56.3 108.9 141.0 11.6 -32.2 7.1 9 24 A A T 3 S- 0 0 56 1,-0.3 44,-0.1 2,-0.1 43,-0.0 -0.190 117.2 -11.6 -60.6 125.5 10.5 -31.7 3.4 10 25 A N T 3 S+ 0 0 26 42,-0.4 -1,-0.3 2,-0.1 43,-0.1 0.660 91.7 125.3 62.5 25.0 6.9 -32.4 2.7 11 26 A T S < S+ 0 0 85 -3,-2.0 -2,-0.1 1,-0.2 -1,-0.1 0.519 73.9 51.5 -87.5 -7.2 6.2 -34.0 6.1 12 27 A V S > S+ 0 0 8 -4,-0.3 3,-2.0 87,-0.1 -1,-0.2 -0.786 74.7 175.6-124.2 74.4 3.3 -31.5 6.7 13 28 A P T 3 S+ 0 0 30 0, 0.0 88,-1.5 0, 0.0 38,-0.3 0.652 72.1 54.2 -73.4 -13.3 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 0.443 82.6 109.3 -91.7 -6.9 -1.5 -30.0 4.1 15 30 A Q E < -J 28 0C 5 -3,-2.0 36,-0.5 13,-0.2 37,-0.4 -0.620 47.9-178.4 -71.8 122.0 0.7 -26.9 4.8 16 31 A V E -J 27 0C 0 11,-2.4 11,-1.2 -2,-0.4 2,-0.4 -0.873 21.7-136.1-116.1 161.3 0.5 -24.3 2.0 17 32 A S E -JK 26 49C 1 32,-2.3 32,-3.0 -2,-0.3 2,-0.5 -0.943 14.5-140.8-107.0 131.8 2.2 -20.9 1.5 18 33 A L E -JK 25 48C 0 7,-3.1 6,-2.6 -2,-0.4 7,-1.0 -0.849 25.7-167.7 -94.9 126.2 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 -0.954 30.7 167.1-124.9 130.1 2.2 -16.0 -2.1 20 37 A S S S- 0 0 31 2,-2.4 3,-0.1 -2,-0.4 26,-0.1 -0.315 97.7 -44.7-127.8 45.2 1.6 -12.5 -3.5 21 38 A G S S+ 0 0 66 26,-0.1 2,-0.3 1,-0.0 -2,-0.1 0.219 141.0 24.1 105.2 -12.6 5.1 -12.1 -5.0 22 39 A Y S S- 0 0 129 -4,-0.0 -2,-2.4 0, 0.0 2,-0.2 -0.926 102.8 -77.6-172.0 156.5 6.5 -13.4 -1.7 23 40 A H E +J 19 0C 38 -2,-0.3 -4,-0.2 -4,-0.2 3,-0.1 -0.506 51.5 157.1 -65.2 135.0 5.3 -15.7 1.1 24 41 A F E + 0 0 29 -6,-2.6 2,-0.3 1,-0.4 151,-0.2 0.521 58.5 5.7-134.3 -12.1 3.0 -13.7 3.5 25 42 A b E -J 18 0C 7 -7,-1.0 -7,-3.1 151,-0.1 -1,-0.4 -0.978 61.6-122.2-163.3 156.7 0.8 -16.3 5.3 26 43 A G E +J 17 0C 0 151,-2.9 12,-0.4 -2,-0.3 2,-0.3 -0.430 27.1 177.7 -89.5 177.9 0.3 -20.0 5.8 27 44 A G E -J 16 0C 0 -11,-1.2 -11,-2.4 -2,-0.2 2,-0.4 -0.946 25.0-116.9-166.3 177.9 -2.9 -22.0 5.2 28 45 A S E -JL 15 36C 0 8,-2.4 8,-2.8 -2,-0.3 2,-0.5 -0.990 19.9-131.0-131.2 127.5 -4.2 -25.6 5.3 29 46 A L E + L 0 35C 1 -15,-2.4 74,-2.7 -2,-0.4 6,-0.2 -0.636 27.6 173.7 -79.5 124.3 -5.5 -27.7 2.4 30 47 A I E - 0 0 19 4,-2.6 2,-0.3 -2,-0.5 5,-0.2 0.596 66.5 -8.1-112.2 -12.7 -8.8 -29.2 3.4 31 48 A N E > S- L 0 34C 51 3,-1.3 3,-0.7 70,-0.1 -1,-0.3 -0.937 89.9 -79.3-162.4-177.8 -9.8 -30.8 0.0 32 49 A S T 3 S+ 0 0 42 -2,-0.3 62,-3.1 1,-0.2 60,-0.1 0.709 128.2 32.4 -64.3 -18.9 -8.5 -30.7 -3.5 33 50 A Q T 3 S+ 0 0 75 60,-0.2 57,-3.1 1,-0.1 2,-0.4 0.515 109.6 66.6-110.0 -13.1 -10.1 -27.2 -4.2 34 51 A W E < -LM 31 89C 1 -3,-0.7 -4,-2.6 55,-0.2 -3,-1.3 -0.962 48.9-165.9-134.6 140.4 -10.1 -25.4 -0.8 35 52 A V E -LM 29 88C 0 53,-2.6 53,-2.8 -2,-0.4 2,-0.4 -0.947 14.2-144.7-121.0 136.7 -7.7 -23.9 1.7 36 53 A V E +LM 28 87C 0 -8,-2.8 -8,-2.4 -2,-0.4 2,-0.3 -0.842 36.7 147.1 -88.5 128.8 -8.4 -22.7 5.4 37 54 A S E - M 0 86C 0 49,-2.5 49,-2.2 -2,-0.4 2,-0.3 -0.846 50.1 -73.6-144.4-168.9 -6.4 -19.6 6.5 38 55 A A > - 0 0 0 -12,-0.4 3,-1.8 47,-0.3 47,-0.3 -0.723 30.7-132.4 -88.4 141.6 -6.8 -16.6 8.8 39 56 A A G > S+ 0 0 2 -2,-0.3 3,-2.2 1,-0.3 -1,-0.1 0.837 107.7 65.1 -58.4 -30.3 -9.1 -13.7 7.7 40 57 A H G 3 S+ 0 0 65 1,-0.3 -1,-0.3 41,-0.1 137,-0.0 0.640 93.5 62.5 -72.4 -7.8 -6.3 -11.3 8.6 41 58 A b G < S+ 0 0 3 -3,-1.8 -1,-0.3 -15,-0.1 -2,-0.2 0.366 77.4 131.3 -87.2 -1.2 -4.4 -12.9 5.8 42 59 A Y < + 0 0 132 -3,-2.2 2,-0.3 -4,-0.1 -3,-0.0 -0.276 21.1 135.4 -51.1 133.5 -7.0 -11.7 3.2 43 60 A K - 0 0 61 -2,-0.0 3,-0.3 3,-0.0 2,-0.1 -0.965 51.0-107.1-161.9 164.0 -5.7 -9.9 0.1 44 61 A S S S+ 0 0 93 -2,-0.3 25,-0.0 1,-0.2 0, 0.0 -0.515 95.0 43.5 -81.1 161.9 -6.4 -10.1 -3.6 45 62 A G S S+ 0 0 70 1,-0.2 2,-0.5 22,-0.1 -1,-0.2 0.867 74.6 168.3 77.7 32.1 -3.9 -11.7 -6.0 46 63 A I - 0 0 7 -3,-0.3 21,-2.7 21,-0.1 2,-0.5 -0.704 21.1-164.7 -84.9 134.7 -3.1 -14.8 -3.9 47 64 A Q E -KN 19 66C 49 -28,-2.8 -28,-2.7 -2,-0.5 2,-0.5 -0.972 16.9-140.5-107.3 125.9 -1.2 -17.7 -5.4 48 65 A V E -KN 18 65C 0 17,-2.8 17,-2.8 -2,-0.5 2,-0.7 -0.765 12.3-157.7 -84.0 127.0 -1.5 -20.9 -3.3 49 66 A R E -KN 17 64C 51 -32,-3.0 -32,-2.3 -2,-0.5 3,-0.3 -0.933 13.8-177.8-115.2 111.8 1.8 -22.8 -3.2 50 67 A L E + N 0 63C 2 13,-3.1 13,-2.0 -2,-0.7 -34,-0.1 -0.664 61.3 31.4 -96.8 158.5 1.4 -26.5 -2.3 51 69 A G S S+ 0 0 6 -36,-0.5 10,-0.3 -38,-0.3 2,-0.3 0.758 84.3 156.2 70.5 18.7 4.1 -29.1 -1.8 52 70 A E + 0 0 9 -37,-0.4 -42,-0.4 -3,-0.3 -1,-0.2 -0.547 21.3 149.9 -83.1 142.3 6.7 -26.5 -0.5 53 71 A D S S+ 0 0 14 1,-0.4 2,-0.8 4,-0.3 -1,-0.2 0.370 81.7 29.5-118.5 -80.7 9.6 -27.0 1.7 54 72 A N S > S- 0 0 26 80,-0.2 3,-1.2 1,-0.2 -1,-0.4 -0.646 72.8-161.3 -77.2 110.9 12.2 -24.4 0.8 55 73 A I T 3 S+ 0 0 30 78,-2.5 -1,-0.2 -2,-0.8 79,-0.1 0.583 87.5 54.1 -75.0 -5.0 9.9 -21.5 -0.3 56 74 A N T 3 S+ 0 0 126 77,-0.2 2,-0.4 1,-0.1 -1,-0.2 0.453 105.7 55.6-101.4 -4.5 12.9 -19.9 -2.2 57 75 A V S < S- 0 0 76 -3,-1.2 2,-0.8 76,-0.1 -4,-0.3 -0.996 78.1-128.4-133.7 134.0 14.0 -22.9 -4.3 58 76 A V + 0 0 116 -2,-0.4 -3,-0.1 1,-0.2 -6,-0.1 -0.718 34.0 172.6 -79.9 112.8 11.9 -25.0 -6.7 59 77 A E - 0 0 96 -2,-0.8 -1,-0.2 -5,-0.2 -7,-0.0 0.569 51.3 -97.5-105.0 -15.1 12.7 -28.5 -5.4 60 78 A G S S+ 0 0 60 -9,-0.0 -2,-0.1 0, 0.0 -8,-0.1 0.373 104.9 74.1 123.3 -9.9 10.3 -30.6 -7.5 61 79 A N + 0 0 67 -10,-0.3 2,-0.1 38,-0.0 -9,-0.1 0.352 66.7 119.0-115.8 5.8 7.1 -31.3 -5.5 62 80 A E - 0 0 33 -13,-0.0 2,-0.4 2,-0.0 -11,-0.3 -0.350 40.8-167.5 -71.8 152.5 5.4 -27.9 -5.7 63 81 A Q E -N 50 0C 37 -13,-2.0 -13,-3.1 -2,-0.1 2,-0.5 -0.993 7.9-161.7-129.5 129.5 2.1 -27.1 -7.2 64 82 A F E +N 49 0C 78 -2,-0.4 2,-0.4 -15,-0.2 -15,-0.2 -0.950 17.2 169.7-112.9 116.1 1.3 -23.3 -7.7 65 83 A I E -N 48 0C 13 -17,-2.8 -17,-2.8 -2,-0.5 2,-0.1 -0.990 28.6-129.2-134.3 126.9 -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 -0.381 29.2-108.8 -73.1 147.9 -4.0 -19.1 -8.2 67 85 A A E -O 90 0C 20 -21,-2.7 23,-0.3 23,-0.2 -22,-0.1 -0.590 24.1-169.8 -69.8 138.9 -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 0.700 72.3 7.3 -92.8 -31.6 -10.3 -18.0 -7.8 69 87 A K E -O 89 0C 91 20,-1.1 20,-2.7 2,-0.0 2,-0.4 -0.987 57.2-155.1-152.4 141.9 -12.3 -16.7 -4.8 70 88 A S E -O 88 0C 42 -2,-0.3 2,-0.4 18,-0.2 18,-0.2 -0.964 9.2-168.4-114.3 139.4 -11.7 -15.6 -1.2 71 89 A I E -O 87 0C 34 16,-2.8 16,-2.5 -2,-0.4 2,-0.2 -0.889 5.2-161.6-129.2 104.8 -14.4 -15.8 1.5 72 90 A V E -O 86 0C 50 -2,-0.4 14,-0.2 14,-0.2 12,-0.1 -0.600 41.7 -88.4 -75.9 142.7 -13.8 -14.1 4.8 73 91 A H > - 0 0 22 12,-2.3 3,-2.0 10,-0.3 -1,-0.1 -0.222 35.0-122.7 -51.9 141.2 -16.0 -15.2 7.6 74 92 A P T 3 S+ 0 0 101 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.769 110.0 40.7 -58.8 -25.9 -19.2 -13.1 7.7 75 93 A S T 3 S+ 0 0 72 8,-0.1 2,-0.1 2,-0.1 -2,-0.1 0.173 78.7 141.2-110.7 15.4 -18.5 -12.0 11.3 76 94 A Y < - 0 0 53 -3,-2.0 2,-0.5 9,-0.1 7,-0.2 -0.405 32.3-164.6 -58.5 131.7 -14.8 -11.4 11.2 77 95 A N > - 0 0 66 5,-2.2 4,-2.1 -2,-0.1 5,-0.4 -0.967 8.4-161.6-118.7 115.9 -13.8 -8.3 13.2 78 96 A S T 4 S+ 0 0 80 -2,-0.5 -1,-0.1 1,-0.2 -2,-0.0 0.663 88.2 55.4 -74.7 -13.6 -10.3 -7.1 12.3 79 97 A N T 4 S+ 0 0 152 1,-0.1 -1,-0.2 3,-0.1 -2,-0.0 0.917 123.5 22.5 -81.1 -43.8 -10.0 -5.0 15.6 80 98 A T T 4 S- 0 0 76 2,-0.1 -2,-0.2 76,-0.0 -1,-0.1 0.599 96.6-132.5 -93.3 -17.8 -10.7 -7.9 18.0 81 99 A L >< + 0 0 34 -4,-2.1 3,-0.8 1,-0.2 -3,-0.2 0.576 48.3 160.2 62.3 18.6 -9.7 -10.7 15.6 82 100 A N T 3 + 0 0 39 -5,-0.4 -5,-2.2 1,-0.2 -1,-0.2 -0.469 66.2 15.5 -66.0 136.4 -12.9 -12.5 16.5 83 101 A N T 3 S- 0 0 17 -7,-0.2 2,-2.1 1,-0.2 -10,-0.3 0.905 79.1-179.5 63.2 48.3 -13.8 -15.1 13.8 84 102 A D < + 0 0 1 -3,-0.8 2,-0.3 75,-0.2 123,-0.2 -0.453 37.5 108.9 -82.3 76.4 -10.3 -15.0 12.3 85 103 A I + 0 0 0 -2,-2.1 -12,-2.3 -47,-0.3 2,-0.3 -0.998 36.4 172.4-150.4 145.4 -10.9 -17.5 9.4 86 104 A M E -MO 37 72C 0 -49,-2.2 -49,-2.5 -2,-0.3 2,-0.4 -0.975 22.3-133.1-149.1 162.5 -11.3 -17.4 5.7 87 105 A L E -MO 36 71C 0 -16,-2.5 -16,-2.8 -2,-0.3 2,-0.4 -0.920 13.3-161.9-114.1 141.3 -11.6 -19.9 2.8 88 106 A I E -MO 35 70C 0 -53,-2.8 -53,-2.6 -2,-0.4 2,-0.4 -0.994 7.6-150.9-126.0 124.5 -9.7 -19.7 -0.4 89 107 A K E -MO 34 69C 38 -20,-2.7 -21,-2.8 -2,-0.4 -20,-1.1 -0.815 16.6-131.5 -94.2 138.9 -10.9 -21.6 -3.5 90 108 A L E - O 0 67C 2 -57,-3.1 -23,-0.2 -2,-0.4 -24,-0.1 -0.592 12.3-128.7 -85.1 140.9 -8.2 -22.7 -6.0 91 109 A K S S+ 0 0 150 -25,-2.9 2,-0.3 -2,-0.2 -1,-0.1 0.772 96.6 16.8 -58.9 -29.0 -8.7 -22.1 -9.8 92 110 A S S S- 0 0 66 -26,-0.3 2,-0.2 -60,-0.1 -1,-0.1 -0.962 96.2 -92.3-141.3 155.6 -8.0 -25.8 -10.4 93 111 A A - 0 0 55 -2,-0.3 -60,-0.2 1,-0.1 -61,-0.1 -0.507 41.6-119.4 -70.3 137.8 -8.0 -28.8 -8.2 94 112 A A - 0 0 8 -62,-3.1 2,-0.6 -2,-0.2 -1,-0.1 -0.408 25.9-112.3 -67.9 147.3 -4.6 -29.8 -6.6 95 113 A S - 0 0 78 -2,-0.1 2,-0.4 6,-0.0 -1,-0.1 -0.753 35.7-142.2 -72.9 119.2 -3.1 -33.1 -7.5 96 114 A L + 0 0 88 -2,-0.6 2,-0.2 3,-0.1 5,-0.2 -0.743 38.5 138.3 -95.2 136.8 -3.3 -35.1 -4.2 97 115 A N B > S-P 100 0D 79 3,-2.8 3,-0.5 -2,-0.4 0, 0.0 -0.809 70.1 -70.2-156.2-177.8 -0.4 -37.4 -3.3 98 116 A S T 3 S+ 0 0 91 -2,-0.2 3,-0.1 1,-0.2 -2,-0.0 0.834 133.7 42.4 -56.9 -30.5 1.7 -38.3 -0.2 99 117 A R T 3 S+ 0 0 114 1,-0.2 2,-0.4 -87,-0.1 -1,-0.2 0.576 119.0 42.8 -96.5 -11.9 3.4 -34.8 -0.2 100 118 A V B < S+P 97 0D 0 -3,-0.5 -3,-2.8 -50,-0.1 2,-0.3 -0.954 79.6 145.7-135.1 105.8 0.2 -32.8 -1.0 101 119 A A - 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