==== 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 4AB9 . COMPND 2 MOLECULE: CATIONIC TRYPSIN; . SOURCE 2 ORGANISM_SCIENTIFIC: BOS TAURUS; . AUTHOR J.NEWMAN,T.S.PEAT . 223 1 5 5 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9342.0 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 . 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 . 15 6.7 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 . 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 0.000 360.0 360.0 360.0 124.1 8.0 -20.5 14.6 2 17 A V B +A 171 0A 10 169,-2.9 169,-1.8 1,-0.2 123,-0.1 -0.877 360.0 6.9-100.1 132.8 10.3 -19.7 17.6 3 18 A G S S+ 0 0 46 121,-0.5 -1,-0.2 -2,-0.5 169,-0.1 0.698 102.1 122.0 75.5 19.3 12.0 -22.5 19.5 4 19 A G - 0 0 35 -3,-0.3 2,-0.3 167,-0.1 134,-0.2 0.015 56.0-113.8 -95.2-158.1 10.8 -25.2 17.0 5 20 A Y E -B 137 0B 97 132,-2.4 132,-2.8 -3,-0.1 2,-0.5 -0.951 35.0 -88.1-138.6 156.8 12.5 -27.8 14.8 6 21 A T E -B 136 0B 73 -2,-0.3 130,-0.2 130,-0.2 129,-0.1 -0.546 36.8-150.7 -66.8 122.5 13.0 -28.3 11.0 7 22 A a - 0 0 18 128,-2.1 -1,-0.2 -2,-0.5 129,-0.1 0.880 35.4-112.3 -62.2 -44.8 9.9 -30.4 10.1 8 23 A G > - 0 0 26 127,-0.5 3,-1.9 -3,-0.0 4,-0.3 0.063 48.1 -58.2 108.4 141.7 11.5 -32.3 7.2 9 24 A A T 3 S- 0 0 55 1,-0.3 44,-0.1 2,-0.1 43,-0.0 -0.210 117.4 -10.5 -61.5 126.2 10.5 -31.8 3.5 10 25 A N T 3 S+ 0 0 25 42,-0.4 -1,-0.3 2,-0.1 43,-0.1 0.651 91.7 125.9 63.9 22.5 6.9 -32.5 2.8 11 26 A T S < S+ 0 0 83 -3,-1.9 -2,-0.1 1,-0.2 -1,-0.1 0.519 73.8 50.8 -84.6 -9.2 6.3 -34.1 6.2 12 27 A V S > S+ 0 0 7 -4,-0.3 3,-2.0 87,-0.1 -1,-0.2 -0.771 74.4 176.0-124.3 75.8 3.3 -31.6 6.8 13 28 A P T 3 S+ 0 0 31 0, 0.0 88,-1.5 0, 0.0 38,-0.3 0.648 71.9 55.2 -75.3 -13.3 1.5 -32.3 3.5 14 29 A Y T 3 S+ 0 0 20 86,-0.2 15,-2.4 88,-0.1 2,-0.4 0.457 81.9 108.1 -89.1 -9.5 -1.5 -30.0 4.2 15 30 A Q E < -J 28 0C 5 -3,-2.0 36,-0.5 13,-0.2 37,-0.4 -0.600 48.5-177.2 -73.5 123.8 0.7 -26.9 4.9 16 31 A V E -J 27 0C 1 11,-2.4 11,-1.2 -2,-0.4 2,-0.4 -0.865 20.9-136.7-112.8 160.3 0.4 -24.3 2.0 17 32 A S E -JK 26 49C 1 32,-2.3 32,-2.9 -2,-0.3 2,-0.5 -0.954 14.8-140.7-106.7 129.3 2.2 -21.0 1.6 18 33 A L E -JK 25 48C 0 7,-3.2 6,-2.7 -2,-0.4 7,-1.0 -0.855 25.9-168.1 -91.2 127.6 0.2 -18.0 0.4 19 34 A N E +JK 23 47C 19 28,-2.7 28,-2.7 -2,-0.5 4,-0.2 -0.947 31.0 166.8-126.0 131.6 2.3 -16.0 -2.1 20 37 A S S S- 0 0 33 2,-2.4 3,-0.1 -2,-0.4 26,-0.1 -0.292 97.7 -44.1-130.2 47.5 1.7 -12.6 -3.5 21 38 A G S S+ 0 0 68 26,-0.1 2,-0.3 1,-0.0 -2,-0.1 0.191 141.0 23.4 106.4 -10.5 5.2 -12.2 -4.9 22 39 A Y S S- 0 0 130 -4,-0.0 -2,-2.4 0, 0.0 2,-0.2 -0.925 103.4 -77.1-172.1 156.6 6.6 -13.5 -1.7 23 40 A H E +J 19 0C 35 -2,-0.3 -4,-0.2 -4,-0.2 3,-0.1 -0.494 51.7 158.1 -64.1 136.1 5.3 -15.8 1.2 24 41 A F E + 0 0 34 -6,-2.7 2,-0.3 1,-0.4 151,-0.2 0.529 58.0 5.9-135.0 -12.7 3.0 -13.8 3.5 25 42 A b E -J 18 0C 7 -7,-1.0 -7,-3.2 151,-0.1 -1,-0.4 -0.976 61.5-121.5-162.1 157.0 0.8 -16.4 5.3 26 43 A G E +J 17 0C 0 151,-2.9 12,-0.4 -2,-0.3 2,-0.3 -0.409 27.6 177.2 -89.7 176.6 0.3 -20.1 5.9 27 44 A G E -J 16 0C 0 -11,-1.2 -11,-2.4 -2,-0.2 2,-0.4 -0.951 24.8-118.4-166.1 175.6 -2.9 -22.1 5.2 28 45 A S E -JL 15 36C 0 8,-2.6 8,-2.7 -2,-0.3 2,-0.5 -0.989 19.9-130.3-130.8 127.9 -4.2 -25.6 5.4 29 46 A L E + L 0 35C 1 -15,-2.4 74,-2.7 -2,-0.4 6,-0.2 -0.661 27.7 173.7 -76.5 125.3 -5.5 -27.7 2.4 30 47 A I E - 0 0 20 4,-2.6 2,-0.3 -2,-0.5 5,-0.2 0.606 66.0 -9.0-114.3 -12.4 -8.8 -29.2 3.4 31 48 A N E > S- L 0 34C 52 3,-1.2 3,-0.6 70,-0.1 -1,-0.3 -0.911 89.5 -78.7-160.7-175.1 -9.9 -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 0.677 128.2 31.2 -65.2 -22.2 -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 0.501 110.8 67.9-111.0 -7.9 -10.1 -27.2 -4.3 34 51 A W E < -LM 31 89C 1 -3,-0.6 -4,-2.6 55,-0.2 -3,-1.2 -0.965 48.5-169.1-136.1 141.2 -10.1 -25.4 -0.9 35 52 A V E -LM 29 88C 0 53,-2.7 53,-2.8 -2,-0.4 2,-0.4 -0.941 15.2-144.6-123.0 138.7 -7.7 -23.9 1.7 36 53 A V E +LM 28 87C 0 -8,-2.7 -8,-2.6 -2,-0.4 2,-0.2 -0.871 35.8 149.0 -92.7 130.2 -8.5 -22.7 5.3 37 54 A S E - M 0 86C 0 49,-2.3 49,-2.2 -2,-0.4 2,-0.3 -0.819 49.5 -73.3-143.1-168.9 -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 -0.728 31.4-131.6 -88.7 142.9 -6.8 -16.6 8.8 39 56 A A G > S+ 0 0 3 -2,-0.3 3,-2.1 1,-0.3 -1,-0.1 0.822 108.2 65.0 -56.4 -34.4 -9.1 -13.7 7.7 40 57 A H G 3 S+ 0 0 64 1,-0.3 -1,-0.3 41,-0.1 137,-0.0 0.628 93.3 63.4 -70.4 -7.3 -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 0.362 77.3 132.5 -85.4 -4.4 -4.4 -13.0 5.7 42 59 A Y < + 0 0 133 -3,-2.1 2,-0.3 -4,-0.1 -3,-0.0 -0.329 21.0 135.8 -57.4 135.9 -6.9 -11.7 3.2 43 60 A K - 0 0 61 -2,-0.0 3,-0.3 3,-0.0 2,-0.1 -0.939 50.6-106.6-163.7 163.7 -5.7 -10.0 0.0 44 61 A S S S+ 0 0 92 -2,-0.3 25,-0.0 1,-0.2 0, 0.0 -0.465 95.2 41.8 -83.1 163.2 -6.3 -10.1 -3.6 45 62 A G S S+ 0 0 69 1,-0.2 2,-0.5 -2,-0.1 -1,-0.2 0.860 75.1 169.1 74.0 37.3 -3.8 -11.8 -6.1 46 63 A I - 0 0 8 -3,-0.3 21,-2.7 21,-0.1 2,-0.5 -0.705 20.6-166.1 -84.5 133.3 -3.1 -14.9 -3.9 47 64 A Q E -KN 19 66C 51 -28,-2.7 -28,-2.7 -2,-0.5 2,-0.5 -0.971 17.2-140.7-108.7 126.6 -1.2 -17.8 -5.4 48 65 A V E -KN 18 65C 0 17,-2.8 17,-2.7 -2,-0.5 2,-0.7 -0.753 11.9-157.7 -83.9 128.6 -1.4 -20.9 -3.3 49 66 A R E -KN 17 64C 51 -32,-2.9 -32,-2.3 -2,-0.5 3,-0.3 -0.930 14.1-178.5-116.6 108.6 1.8 -22.9 -3.1 50 67 A L E + N 0 63C 1 13,-3.1 13,-2.1 -2,-0.7 -34,-0.1 -0.704 61.0 32.3 -96.1 160.6 1.4 -26.5 -2.2 51 69 A G S S+ 0 0 6 -36,-0.5 10,-0.3 -38,-0.3 2,-0.3 0.716 84.3 155.8 68.8 20.6 4.1 -29.1 -1.7 52 70 A E + 0 0 9 -37,-0.4 -42,-0.4 -3,-0.3 -1,-0.2 -0.576 21.9 149.5 -85.1 142.8 6.6 -26.6 -0.4 53 71 A D S S+ 0 0 14 1,-0.4 2,-0.7 4,-0.3 -1,-0.2 0.372 81.5 30.2-120.0 -81.2 9.6 -27.1 1.8 54 72 A N S > S- 0 0 26 80,-0.2 3,-1.3 1,-0.2 -1,-0.4 -0.641 72.6-161.0 -75.4 111.6 12.2 -24.4 0.8 55 73 A I T 3 S+ 0 0 32 78,-2.4 -1,-0.2 -2,-0.7 79,-0.1 0.581 87.4 53.4 -75.4 -4.1 10.0 -21.6 -0.3 56 74 A N T 3 S+ 0 0 128 77,-0.2 2,-0.4 1,-0.1 -1,-0.2 0.401 105.2 57.3-104.4 0.7 13.0 -20.0 -2.2 57 75 A V S < S- 0 0 77 -3,-1.3 2,-0.8 76,-0.1 -4,-0.3 -0.999 77.8-128.4-135.4 134.1 14.0 -23.0 -4.2 58 76 A V + 0 0 119 -2,-0.4 -3,-0.1 1,-0.2 -6,-0.0 -0.710 34.9 171.6 -78.7 110.4 12.0 -25.1 -6.7 59 77 A E - 0 0 96 -2,-0.8 -1,-0.2 -5,-0.2 -7,-0.0 0.582 51.0 -99.0-104.3 -14.1 12.6 -28.6 -5.3 60 78 A G S S+ 0 0 59 -9,-0.0 -2,-0.1 0, 0.0 -8,-0.1 0.375 103.8 74.7 121.5 -9.1 10.3 -30.7 -7.4 61 79 A N + 0 0 64 -10,-0.3 2,-0.1 38,-0.0 -9,-0.1 0.329 66.9 119.5-113.6 3.3 7.1 -31.4 -5.4 62 80 A E - 0 0 34 -13,-0.0 2,-0.4 2,-0.0 -11,-0.3 -0.353 40.8-167.8 -71.1 152.1 5.4 -28.0 -5.6 63 81 A Q E -N 50 0C 37 -13,-2.1 -13,-3.1 -2,-0.1 2,-0.6 -0.989 8.0-161.6-128.7 128.0 2.1 -27.2 -7.1 64 82 A F E +N 49 0C 79 -2,-0.4 2,-0.4 -15,-0.2 -15,-0.2 -0.950 17.6 168.3-110.3 119.9 1.3 -23.5 -7.7 65 83 A I E -N 48 0C 14 -17,-2.7 -17,-2.8 -2,-0.6 2,-0.1 -0.991 28.3-129.7-137.9 126.0 -2.4 -22.7 -8.2 66 84 A S E -N 47 0C 49 -2,-0.4 25,-2.8 -19,-0.3 2,-0.3 -0.403 28.3-107.6 -74.3 149.5 -4.0 -19.2 -8.1 67 85 A A E -O 90 0C 19 -21,-2.7 23,-0.3 23,-0.2 -22,-0.1 -0.587 23.8-170.4 -69.4 138.7 -7.1 -18.4 -6.0 68 86 A S E S+ 0 0 66 21,-2.7 2,-0.3 1,-0.3 22,-0.2 0.700 73.2 5.0 -93.8 -25.3 -10.4 -18.0 -7.8 69 87 A K E -O 89 0C 90 20,-1.1 20,-2.9 2,-0.0 2,-0.4 -0.968 57.8-154.0-159.7 143.3 -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 -0.940 8.4-166.5-117.5 139.4 -11.7 -15.7 -1.2 71 89 A I E -O 87 0C 34 16,-2.8 16,-2.3 -2,-0.4 2,-0.3 -0.902 4.7-161.3-129.4 103.1 -14.4 -15.8 1.4 72 90 A V E -O 86 0C 50 -2,-0.4 14,-0.2 14,-0.2 12,-0.1 -0.611 42.3 -88.7 -74.6 143.3 -13.7 -14.0 4.7 73 91 A H > - 0 0 22 12,-2.3 3,-1.9 -2,-0.3 -1,-0.1 -0.218 35.0-121.9 -54.8 141.3 -16.0 -15.2 7.6 74 92 A P T 3 S+ 0 0 101 0, 0.0 -1,-0.2 0, 0.0 -2,-0.1 0.771 110.1 40.0 -52.7 -34.7 -19.2 -13.2 7.7 75 93 A S T 3 S+ 0 0 73 8,-0.1 2,-0.1 2,-0.1 -2,-0.1 0.201 78.7 141.8-107.5 15.9 -18.5 -12.0 11.3 76 94 A Y < - 0 0 54 -3,-1.9 2,-0.5 9,-0.1 7,-0.2 -0.368 31.9-164.5 -59.7 132.3 -14.7 -11.4 11.1 77 95 A N > - 0 0 67 5,-2.1 4,-2.1 1,-0.1 5,-0.4 -0.970 7.9-161.3-119.7 114.6 -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 0.656 87.4 55.2 -74.8 -12.8 -10.3 -7.1 12.3 79 97 A N T 4 S+ 0 0 150 1,-0.1 -1,-0.2 3,-0.1 -2,-0.0 0.911 123.8 22.6 -82.3 -43.2 -10.0 -5.0 15.6 80 98 A T T 4 S- 0 0 77 2,-0.1 -2,-0.2 76,-0.0 -1,-0.1 0.613 96.9-132.7 -93.3 -18.7 -10.7 -7.9 18.0 81 99 A L >< + 0 0 34 -4,-2.1 3,-0.8 1,-0.3 2,-0.2 0.569 48.0 160.0 63.9 18.5 -9.7 -10.7 15.6 82 100 A N T 3 + 0 0 40 -5,-0.4 -5,-2.1 1,-0.2 -1,-0.3 -0.480 66.7 15.9 -64.5 136.1 -12.9 -12.5 16.5 83 101 A N T 3 S+ 0 0 17 -7,-0.2 2,-2.0 1,-0.2 -10,-0.3 0.909 79.7 179.8 66.0 46.5 -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 -0.494 37.1 109.1 -82.3 76.5 -10.3 -15.0 12.2 85 103 A I + 0 0 0 -2,-2.0 -12,-2.3 -47,-0.3 2,-0.3 -0.998 36.6 172.8-149.7 143.9 -10.9 -17.5 9.5 86 104 A M E -MO 37 72C 0 -49,-2.2 -49,-2.3 -2,-0.3 2,-0.4 -0.969 21.7-134.4-146.8 162.5 -11.3 -17.4 5.7 87 105 A L E -MO 36 71C 0 -16,-2.3 -16,-2.8 -2,-0.3 2,-0.4 -0.937 13.1-161.5-116.6 143.4 -11.6 -19.9 2.8 88 106 A I E -MO 35 70C 0 -53,-2.8 -53,-2.7 -2,-0.4 2,-0.4 -0.993 7.4-150.2-127.3 126.4 -9.8 -19.8 -0.4 89 107 A K E -MO 34 69C 39 -20,-2.9 -21,-2.7 -2,-0.4 -20,-1.1 -0.827 16.2-132.4 -96.1 137.9 -10.9 -21.7 -3.5 90 108 A L E - 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