==== 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 4ABG . 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) . 9141.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 138 61.9 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 . 72 32.3 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 . 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 . 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 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 . 4 1 3 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,-0.4 0, 0.0 3,-0.3 0.000 360.0 360.0 360.0 128.5 -13.5 4.9 12.6 2 17 A V B +A 171 0A 8 169,-3.1 169,-2.0 1,-0.2 123,-0.1 -0.859 360.0 5.9-107.1 133.7 -12.4 6.8 15.7 3 18 A G S S+ 0 0 41 121,-0.6 -1,-0.2 -2,-0.4 2,-0.1 0.725 102.4 115.1 75.0 14.2 -8.8 6.6 16.8 4 19 A G - 0 0 35 -3,-0.3 2,-0.3 167,-0.1 134,-0.2 -0.091 58.1-113.0 -98.2-152.0 -7.6 4.7 13.8 5 20 A Y E -B 137 0B 93 132,-2.6 132,-2.8 -3,-0.1 2,-0.6 -0.896 34.8 -83.1-143.4 160.2 -5.3 5.4 10.9 6 21 A T E -B 136 0B 73 -2,-0.3 130,-0.2 130,-0.2 129,-0.1 -0.631 37.8-150.6 -67.1 116.3 -5.4 5.9 7.2 7 22 A a - 0 0 18 128,-2.1 -1,-0.2 -2,-0.6 129,-0.1 0.897 34.9-111.9 -55.5 -46.0 -5.3 2.5 5.7 8 23 A G > - 0 0 25 127,-0.5 3,-2.3 -3,-0.1 4,-0.3 -0.007 48.8 -57.5 108.6 136.8 -3.5 3.3 2.5 9 24 A A T 3 S- 0 0 49 1,-0.3 44,-0.1 2,-0.1 43,-0.0 -0.150 118.5 -10.9 -56.9 124.6 -5.1 3.1 -0.9 10 25 A N T 3 S+ 0 0 22 42,-0.3 -1,-0.3 2,-0.1 43,-0.1 0.648 91.6 128.9 64.5 18.8 -6.6 -0.3 -1.7 11 26 A T S < S+ 0 0 82 -3,-2.3 -2,-0.1 1,-0.2 -1,-0.1 0.509 76.0 44.5 -79.6 -12.4 -4.8 -1.9 1.3 12 27 A V S > S+ 0 0 5 -4,-0.3 3,-2.2 87,-0.1 -1,-0.2 -0.705 76.3 174.9-127.9 77.8 -8.2 -3.5 2.3 13 28 A P T 3 S+ 0 0 31 0, 0.0 88,-1.8 0, 0.0 38,-0.4 0.624 71.3 58.7 -80.8 -6.2 -9.3 -4.7 -1.1 14 29 A Y T 3 S+ 0 0 22 86,-0.2 15,-2.3 88,-0.1 2,-0.4 0.500 81.3 108.1 -90.1 -4.4 -12.5 -6.5 0.1 15 30 A Q E < -J 28 0C 6 -3,-2.2 37,-0.4 13,-0.2 36,-0.4 -0.560 49.8-175.2 -78.9 129.2 -13.9 -3.3 1.6 16 31 A V E -J 27 0C 0 11,-2.4 11,-1.3 -2,-0.4 2,-0.5 -0.855 20.3-137.4-116.0 157.2 -16.8 -1.9 -0.4 17 32 A S E -JK 26 49C 1 32,-2.3 32,-2.8 -2,-0.3 2,-0.5 -0.965 14.8-142.6-105.1 133.7 -18.9 1.3 -0.1 18 33 A L E -JK 25 48C 0 7,-3.3 6,-2.4 -2,-0.5 7,-1.0 -0.830 23.9-168.8 -94.6 126.6 -22.6 1.0 -0.5 19 34 A N E +JK 23 47C 20 28,-3.1 28,-2.4 -2,-0.5 4,-0.2 -0.953 29.5 168.9-124.3 126.8 -23.8 4.1 -2.4 20 37 A S S S- 0 0 30 2,-2.3 3,-0.1 -2,-0.4 26,-0.1 -0.291 98.4 -45.8-123.3 51.1 -27.5 5.4 -2.9 21 38 A G S S+ 0 0 70 26,-0.1 2,-0.3 1,-0.0 -2,-0.1 0.212 141.7 28.0 100.2 -5.9 -26.4 8.8 -4.3 22 39 A Y S S- 0 0 133 -4,-0.0 -2,-2.3 0, 0.0 2,-0.2 -0.930 102.7 -81.2-168.8 158.3 -23.9 9.0 -1.4 23 40 A H E +J 19 0C 40 -2,-0.3 -4,-0.2 -4,-0.2 3,-0.1 -0.491 51.3 159.1 -71.0 131.2 -21.9 6.5 0.8 24 41 A F E + 0 0 25 -6,-2.4 2,-0.3 1,-0.5 151,-0.2 0.607 57.6 2.1-129.1 -15.2 -24.1 5.2 3.5 25 42 A b E -J 18 0C 7 -7,-1.0 -7,-3.3 151,-0.1 -1,-0.5 -0.980 63.0-119.8-163.9 159.9 -22.6 1.9 4.7 26 43 A G E +J 17 0C 1 151,-2.7 12,-0.4 -2,-0.3 2,-0.3 -0.445 27.7 179.3 -90.3 179.4 -19.7 -0.5 4.2 27 44 A G E -J 16 0C 0 -11,-1.3 -11,-2.4 -2,-0.2 2,-0.4 -0.947 23.5-118.2-167.6 175.2 -19.8 -4.1 3.1 28 45 A S E -JL 15 36C 0 8,-2.2 8,-2.8 -2,-0.3 2,-0.5 -0.994 19.1-129.5-129.5 129.9 -17.3 -6.9 2.3 29 46 A L E + L 0 35C 0 -15,-2.3 74,-2.2 -2,-0.4 6,-0.2 -0.691 26.6 174.9 -77.7 122.7 -16.9 -8.7 -1.1 30 47 A I E - 0 0 18 4,-2.8 2,-0.3 -2,-0.5 5,-0.2 0.661 67.8 -12.3-110.2 -15.7 -17.1 -12.4 -0.5 31 48 A N E > S- L 0 34C 53 3,-1.4 3,-1.2 70,-0.1 -1,-0.4 -0.939 89.0 -76.4-159.2-178.2 -16.8 -13.6 -4.1 32 49 A S T 3 S+ 0 0 35 -2,-0.3 62,-3.1 1,-0.2 60,-0.1 0.745 128.2 31.2 -54.7 -19.9 -17.1 -11.9 -7.5 33 50 A Q T 3 S+ 0 0 84 60,-0.2 57,-2.5 1,-0.1 2,-0.4 0.466 111.2 65.5-118.5 0.8 -20.8 -11.6 -7.4 34 51 A W E < -LM 31 89C 4 -3,-1.2 -4,-2.8 55,-0.2 -3,-1.4 -0.986 45.7-174.1-139.1 142.6 -21.7 -11.2 -3.7 35 52 A V E -LM 29 88C 0 53,-2.8 53,-2.7 -2,-0.4 2,-0.5 -0.931 14.8-148.6-122.0 141.1 -21.2 -8.7 -0.8 36 53 A V E +LM 28 87C 0 -8,-2.8 -8,-2.2 -2,-0.4 51,-0.2 -0.961 30.7 148.9-111.4 140.1 -22.2 -9.2 2.7 37 54 A S E - M 0 86C 0 49,-2.5 49,-2.4 -2,-0.5 2,-0.3 -0.674 49.8 -59.8-141.1-164.6 -23.3 -6.2 4.9 38 55 A A > - 0 0 0 -12,-0.4 3,-1.5 47,-0.3 47,-0.3 -0.698 32.7-136.6 -89.2 134.2 -25.6 -5.3 7.8 39 56 A A G > S+ 0 0 3 -2,-0.3 3,-2.3 1,-0.3 -1,-0.1 0.847 106.0 64.3 -58.6 -30.3 -29.3 -5.8 7.5 40 57 A H G 3 S+ 0 0 70 1,-0.3 -1,-0.3 41,-0.1 137,-0.0 0.629 95.0 62.3 -69.6 -10.7 -29.9 -2.4 9.1 41 58 A b G < S+ 0 0 5 -3,-1.5 -1,-0.3 -15,-0.1 -2,-0.2 0.394 77.9 131.4 -84.7 -4.6 -28.2 -1.0 6.0 42 59 A Y < + 0 0 127 -3,-2.3 2,-0.3 -4,-0.1 -3,-0.1 -0.286 19.9 139.4 -55.6 138.8 -30.9 -2.3 3.7 43 60 A K - 0 0 53 0, 0.0 3,-0.3 0, 0.0 2,-0.1 -0.941 50.1-103.6-158.8 167.2 -32.4 0.0 1.2 44 61 A S S S+ 0 0 95 -2,-0.3 25,-0.0 1,-0.2 0, 0.0 -0.492 95.8 37.8 -83.2 159.7 -33.5 -0.3 -2.4 45 62 A G S S+ 0 0 70 1,-0.2 2,-0.4 -2,-0.1 -1,-0.2 0.888 75.2 170.1 76.3 31.4 -31.3 1.1 -5.3 46 63 A I - 0 0 5 -3,-0.3 21,-2.6 -26,-0.1 2,-0.5 -0.655 21.1-161.4 -76.7 133.2 -27.9 0.3 -3.9 47 64 A Q E -KN 19 66C 50 -28,-2.4 -28,-3.1 -2,-0.4 2,-0.5 -0.983 15.3-140.1-110.7 127.4 -24.8 0.6 -6.0 48 65 A V E -KN 18 65C 0 17,-2.9 17,-2.7 -2,-0.5 2,-0.6 -0.765 11.6-157.0 -86.6 128.7 -21.7 -1.3 -4.8 49 66 A R E -KN 17 64C 51 -32,-2.8 -32,-2.3 -2,-0.5 3,-0.3 -0.945 14.5-178.0-113.0 114.3 -18.5 0.6 -5.1 50 67 A L E + N 0 63C 1 13,-3.1 13,-1.5 -2,-0.6 -34,-0.1 -0.613 60.5 30.6-102.9 163.1 -15.4 -1.6 -5.2 51 69 A G S S+ 0 0 4 -36,-0.4 10,-0.3 -38,-0.4 2,-0.3 0.799 85.0 156.0 66.4 17.7 -11.7 -0.6 -5.4 52 70 A E + 0 0 10 -37,-0.4 -42,-0.3 -3,-0.3 -1,-0.2 -0.631 21.9 150.3 -84.9 140.1 -12.4 2.7 -3.5 53 71 A D S S+ 0 0 13 1,-0.4 2,-0.7 -2,-0.3 -1,-0.1 0.409 80.5 30.2-117.3 -73.6 -10.0 4.7 -1.4 54 72 A N S > S- 0 0 17 80,-0.2 3,-1.2 1,-0.2 -1,-0.4 -0.723 72.9-162.2 -79.4 114.0 -11.1 8.3 -1.6 55 73 A I T 3 S+ 0 0 30 78,-2.6 -1,-0.2 -2,-0.7 79,-0.1 0.649 87.4 52.9 -75.8 -3.3 -14.9 8.0 -2.0 56 74 A N T 3 S+ 0 0 136 77,-0.3 2,-0.4 1,-0.1 -1,-0.2 0.479 106.3 58.0-104.1 -2.2 -15.2 11.5 -3.2 57 75 A V S < S- 0 0 75 -3,-1.2 2,-0.7 76,-0.2 -4,-0.3 -0.997 77.9-128.8-133.8 130.0 -12.6 11.3 -6.1 58 76 A V + 0 0 112 -2,-0.4 -3,-0.1 1,-0.2 -6,-0.0 -0.681 32.8 172.8 -74.4 112.8 -12.3 8.9 -9.0 59 77 A E - 0 0 99 -2,-0.7 -1,-0.2 -5,-0.2 -7,-0.0 0.591 50.6-103.2-102.8 -11.2 -8.8 7.6 -8.7 60 78 A G S S+ 0 0 59 -9,-0.0 -2,-0.1 0, 0.0 -8,-0.1 0.376 102.6 78.3 112.6 -3.1 -8.9 5.0 -11.4 61 79 A N + 0 0 64 -10,-0.3 -9,-0.1 38,-0.0 2,-0.1 0.372 66.6 118.4-114.3 7.1 -9.3 1.5 -9.6 62 80 A E - 0 0 34 -13,-0.0 2,-0.4 2,-0.0 -11,-0.2 -0.296 42.8-165.4 -75.4 150.6 -13.0 1.7 -8.9 63 81 A Q E -N 50 0C 36 -13,-1.5 -13,-3.1 -2,-0.1 2,-0.5 -0.993 6.7-162.3-124.2 129.8 -15.8 -0.6 -10.1 64 82 A F E +N 49 0C 79 -2,-0.4 2,-0.4 -15,-0.2 -15,-0.2 -0.974 17.3 170.3-112.4 119.7 -19.3 0.7 -9.7 65 83 A I E -N 48 0C 14 -17,-2.7 -17,-2.9 -2,-0.5 2,-0.1 -0.996 29.0-127.8-137.6 122.7 -22.0 -2.2 -10.0 66 84 A S E -N 47 0C 52 -2,-0.4 25,-3.0 -19,-0.3 2,-0.3 -0.411 29.1-112.3 -67.6 144.0 -25.7 -2.0 -9.2 67 85 A A E -O 90 0C 21 -21,-2.6 23,-0.2 23,-0.2 -22,-0.1 -0.622 21.9-166.7 -74.3 138.2 -27.2 -4.6 -6.9 68 86 A S E S+ 0 0 59 21,-2.8 2,-0.3 1,-0.4 22,-0.2 0.727 72.5 3.4 -95.0 -27.6 -29.6 -7.0 -8.6 69 87 A K E -O 89 0C 77 20,-1.1 20,-2.6 2,-0.0 2,-0.4 -0.981 57.7-152.0-156.2 155.1 -31.0 -8.3 -5.3 70 88 A S E -O 88 0C 42 -2,-0.3 2,-0.4 18,-0.2 18,-0.2 -0.947 8.9-165.3-120.9 142.1 -30.8 -7.9 -1.6 71 89 A I E -O 87 0C 36 16,-3.0 16,-2.3 -2,-0.4 2,-0.2 -0.869 4.3-162.0-135.6 105.2 -31.4 -10.6 0.9 72 90 A V E -O 86 0C 51 -2,-0.4 14,-0.2 14,-0.2 12,-0.1 -0.591 41.4 -90.1 -78.3 144.3 -31.9 -9.7 4.6 73 91 A H > - 0 0 22 12,-2.4 3,-1.9 10,-0.3 -1,-0.1 -0.225 32.9-124.6 -59.9 142.2 -31.5 -12.5 7.1 74 92 A P T 3 S+ 0 0 100 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.840 109.9 41.4 -61.7 -30.3 -34.8 -14.3 7.7 75 93 A S T 3 S+ 0 0 73 8,-0.1 -2,-0.1 2,-0.1 9,-0.1 0.250 78.8 140.3-102.5 16.4 -34.6 -13.7 11.5 76 94 A Y < - 0 0 54 -3,-1.9 2,-0.6 9,-0.1 7,-0.2 -0.331 35.1-162.3 -62.0 129.4 -33.3 -10.1 11.4 77 95 A N B >> -P 82 0D 68 5,-2.3 4,-1.9 1,-0.1 5,-0.5 -0.961 9.0-165.2-112.9 105.1 -35.0 -8.1 14.2 78 96 A S T 45S+ 0 0 80 -2,-0.6 -1,-0.1 1,-0.2 -2,-0.0 0.727 86.0 61.7 -66.1 -14.5 -34.8 -4.4 13.7 79 97 A N T 45S+ 0 0 152 1,-0.2 -1,-0.2 3,-0.1 -2,-0.0 0.910 123.7 16.1 -70.8 -43.8 -35.8 -3.7 17.2 80 98 A T T 45S- 0 0 70 -3,-0.4 -2,-0.2 2,-0.1 -1,-0.2 0.430 96.1-125.1-112.0 -4.9 -32.8 -5.5 18.7 81 99 A L T ><5 + 0 0 28 -4,-1.9 3,-0.9 1,-0.3 2,-0.2 0.560 52.2 160.0 58.4 21.3 -30.5 -5.8 15.8 82 100 A N B 3 < +P 77 0D 35 -5,-0.5 -5,-2.3 1,-0.3 -1,-0.3 -0.459 66.8 15.6 -69.5 138.6 -30.3 -9.5 16.3 83 101 A N T 3 S- 0 0 14 -7,-0.2 2,-2.1 1,-0.2 -10,-0.3 0.895 79.3-179.3 58.8 49.9 -29.1 -11.2 13.1 84 102 A D < + 0 0 0 -3,-0.9 2,-0.3 75,-0.2 123,-0.2 -0.475 36.1 112.0 -82.2 75.0 -27.9 -8.0 11.6 85 103 A I + 0 0 0 -2,-2.1 -12,-2.4 -47,-0.3 2,-0.3 -0.999 35.8 174.1-150.4 140.7 -26.7 -9.4 8.2 86 104 A M E -MO 37 72C 0 -49,-2.4 -49,-2.5 -2,-0.3 2,-0.4 -0.985 21.1-135.6-146.0 160.6 -27.7 -9.2 4.6 87 105 A L E -MO 36 71C 0 -16,-2.3 -16,-3.0 -2,-0.3 2,-0.4 -0.895 13.5-164.1-114.9 138.5 -26.4 -10.4 1.2 88 106 A I E -MO 35 70C 0 -53,-2.7 -53,-2.8 -2,-0.4 2,-0.4 -0.996 7.6-151.3-125.7 128.0 -26.3 -8.2 -1.9 89 107 A K E -MO 34 69C 37 -20,-2.6 -21,-2.8 -2,-0.4 -20,-1.1 -0.837 16.9-131.1 -97.3 135.5 -25.8 -9.8 -5.4 90 108 A L E - 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