==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=13-SEP-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 03-DEC-12 4I8H . COMPND 2 MOLECULE: CATIONIC TRYPSIN; . SOURCE 2 ORGANISM_SCIENTIFIC: BOS TAURUS; . AUTHOR Z.DAUTER,D.LIEBSCHNER,M.DAUTER,A.BRZUSZKIEWICZ . 223 1 6 6 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9227.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 133 59.6 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 . 14 6.3 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 . 3 3 1 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 0.000 360.0 360.0 360.0 123.2 -8.1 -20.6 -14.6 2 17 A V B +A 171 0A 10 169,-3.0 169,-1.9 1,-0.2 123,-0.1 -0.882 360.0 7.5-102.2 131.6 -10.4 -19.8 -17.5 3 18 A G S S+ 0 0 47 121,-0.5 -1,-0.2 -2,-0.4 169,-0.1 0.672 102.8 115.3 77.2 18.2 -12.0 -22.7 -19.4 4 19 A G - 0 0 37 -3,-0.3 2,-0.3 167,-0.1 134,-0.2 0.052 58.4-111.2-100.3-152.3 -10.8 -25.4 -17.0 5 20 A Y E -B 137 0B 98 132,-2.3 132,-2.8 -3,-0.1 2,-0.5 -0.918 35.0 -85.3-144.7 160.3 -12.5 -27.8 -14.6 6 21 A T E -B 136 0B 75 -2,-0.3 130,-0.2 130,-0.2 129,-0.1 -0.627 36.9-151.6 -71.4 120.5 -12.9 -28.4 -10.9 7 22 A a - 0 0 18 128,-2.0 -1,-0.2 -2,-0.5 129,-0.1 0.889 35.0-114.6 -61.8 -42.7 -9.9 -30.4 -9.9 8 23 A G > - 0 0 26 127,-0.5 3,-1.9 -3,-0.1 4,-0.3 0.017 47.1 -56.1 104.6 143.1 -11.5 -32.2 -7.0 9 24 A A T 3 S- 0 0 54 1,-0.3 44,-0.1 2,-0.1 43,-0.0 -0.236 117.8 -11.3 -61.7 125.9 -10.5 -31.8 -3.3 10 25 A N T 3 S+ 0 0 25 42,-0.4 -1,-0.3 2,-0.1 43,-0.1 0.656 91.7 126.1 63.2 23.4 -6.8 -32.5 -2.7 11 26 A T S < S+ 0 0 83 -3,-1.9 -2,-0.1 1,-0.2 -1,-0.1 0.569 74.9 49.4 -83.7 -7.3 -6.2 -34.1 -6.1 12 27 A V S > S+ 0 0 8 -4,-0.3 3,-2.0 87,-0.1 -1,-0.2 -0.775 74.4 175.2-126.8 75.0 -3.3 -31.7 -6.7 13 28 A P T 3 S+ 0 0 31 0, 0.0 88,-1.6 0, 0.0 38,-0.3 0.635 72.1 56.0 -76.3 -10.1 -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 0.468 81.9 108.1 -89.9 -8.7 1.6 -30.1 -4.1 15 30 A Q E < -J 28 0C 5 -3,-2.0 37,-0.4 13,-0.2 36,-0.4 -0.596 49.0-175.8 -74.4 128.5 -0.6 -27.0 -4.8 16 31 A V E -J 27 0C 1 11,-2.5 11,-1.2 -2,-0.4 2,-0.5 -0.862 20.5-137.6-117.7 158.6 -0.4 -24.3 -2.1 17 32 A S E -JK 26 49C 1 32,-2.3 32,-2.8 -2,-0.3 2,-0.5 -0.959 15.2-141.3-107.9 129.9 -2.2 -21.0 -1.6 18 33 A L E -JK 25 48C 0 7,-3.0 6,-2.6 -2,-0.5 7,-0.9 -0.844 25.4-167.3 -91.8 127.6 -0.1 -18.0 -0.4 19 34 A N E +JK 23 47C 17 28,-2.8 28,-2.7 -2,-0.5 4,-0.2 -0.957 31.6 166.8-126.2 130.3 -2.1 -16.0 2.1 20 37 A S S S- 0 0 32 2,-2.0 3,-0.1 -2,-0.4 26,-0.1 -0.304 97.7 -47.4-128.1 46.6 -1.6 -12.6 3.6 21 38 A G S S+ 0 0 69 26,-0.1 2,-0.3 1,-0.0 -2,-0.1 0.209 140.5 31.3 103.2 -10.3 -5.0 -12.2 5.0 22 39 A Y S S- 0 0 131 -4,-0.0 -2,-2.0 0, 0.0 2,-0.2 -0.934 101.7 -84.1-172.9 144.6 -6.4 -13.4 1.7 23 40 A H E +J 19 0C 37 -2,-0.3 -4,-0.2 -4,-0.2 3,-0.1 -0.518 51.6 158.3 -58.8 134.0 -5.3 -15.8 -1.1 24 41 A F E + 0 0 33 -6,-2.6 2,-0.3 1,-0.5 151,-0.2 0.536 56.7 2.6-133.0 -16.3 -3.0 -13.8 -3.4 25 42 A b E -J 18 0C 8 -7,-0.9 -7,-3.0 151,-0.1 -1,-0.5 -0.977 62.6-119.2-161.4 160.0 -0.9 -16.4 -5.4 26 43 A G E +J 17 0C 0 151,-2.8 12,-0.4 -2,-0.3 2,-0.3 -0.405 27.4 177.1 -91.6 179.3 -0.2 -20.0 -5.8 27 44 A G E -J 16 0C 0 -11,-1.2 -11,-2.5 -2,-0.1 2,-0.4 -0.949 24.5-116.7-169.0 175.1 2.9 -22.0 -5.2 28 45 A S E -JL 15 36C 0 8,-2.5 8,-2.6 -2,-0.3 2,-0.5 -0.992 20.1-129.7-130.2 129.7 4.2 -25.6 -5.3 29 46 A L E + L 0 35C 1 -15,-2.4 74,-2.2 -2,-0.4 6,-0.2 -0.657 28.0 172.7 -76.9 124.2 5.5 -27.7 -2.4 30 47 A I - 0 0 20 4,-2.6 2,-0.3 -2,-0.5 5,-0.2 0.609 67.2 -10.0-113.1 -16.3 8.9 -29.1 -3.4 31 48 A N S S- 0 0 52 3,-1.3 3,-0.5 70,-0.1 -1,-0.3 -0.897 88.4 -79.4-157.0-173.8 9.9 -30.7 0.0 32 49 A S S S+ 0 0 40 -2,-0.3 62,-3.1 1,-0.2 60,-0.1 0.678 128.6 33.1 -65.0 -20.2 8.6 -30.5 3.6 33 50 A Q S S+ 0 0 75 60,-0.2 57,-2.9 1,-0.1 2,-0.4 0.488 110.4 65.3-110.9 -11.4 10.2 -27.1 4.2 34 51 A W E - M 0 89C 0 -3,-0.5 -4,-2.6 55,-0.2 -3,-1.3 -0.966 47.6-168.6-138.4 139.8 10.1 -25.3 0.8 35 52 A V E -LM 29 88C 0 53,-2.6 53,-2.6 -2,-0.4 2,-0.4 -0.946 15.0-144.7-120.8 138.9 7.7 -23.8 -1.7 36 53 A V E +LM 28 87C 0 -8,-2.6 -8,-2.5 -2,-0.4 2,-0.2 -0.888 35.5 147.9 -93.7 131.1 8.4 -22.6 -5.3 37 54 A S E - M 0 86C 0 49,-2.5 49,-2.3 -2,-0.4 2,-0.4 -0.776 50.0 -71.5-145.5-168.8 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 -0.746 31.4-133.9 -89.9 139.3 6.8 -16.5 -8.8 39 56 A A G > S+ 0 0 2 -2,-0.4 3,-2.1 1,-0.3 -1,-0.1 0.827 106.2 65.3 -57.7 -32.5 9.1 -13.7 -7.7 40 57 A H G 3 S+ 0 0 69 1,-0.3 -1,-0.3 41,-0.1 137,-0.0 0.635 93.9 62.3 -70.8 -8.7 6.3 -11.2 -8.7 41 58 A b G < S+ 0 0 5 -3,-1.8 -1,-0.3 -15,-0.1 -2,-0.2 0.404 77.8 130.6 -86.3 -3.0 4.3 -12.8 -5.8 42 59 A Y < + 0 0 133 -3,-2.1 2,-0.3 -4,-0.1 -3,-0.0 -0.262 20.3 137.1 -54.0 140.2 6.9 -11.6 -3.2 43 60 A K - 0 0 54 0, 0.0 3,-0.3 0, 0.0 2,-0.1 -0.935 51.0-104.1-166.4 162.8 5.6 -9.8 -0.2 44 61 A S S S+ 0 0 93 -2,-0.3 25,-0.0 1,-0.2 0, 0.0 -0.439 95.0 43.5 -80.6 163.3 6.4 -10.0 3.6 45 62 A G S S+ 0 0 68 1,-0.2 2,-0.4 -2,-0.1 -1,-0.2 0.871 73.6 170.5 74.8 33.7 4.0 -11.7 6.0 46 63 A I - 0 0 9 -3,-0.3 21,-2.8 -26,-0.1 2,-0.5 -0.653 20.5-165.4 -82.3 133.6 3.2 -14.8 4.0 47 64 A Q E -KN 19 66C 51 -28,-2.7 -28,-2.8 -2,-0.4 2,-0.5 -0.977 17.5-141.5-108.4 126.0 1.3 -17.8 5.4 48 65 A V E -KN 18 65C 0 17,-2.8 17,-2.6 -2,-0.5 2,-0.6 -0.755 11.5-157.0 -86.9 129.8 1.5 -20.9 3.3 49 66 A R E -KN 17 64C 51 -32,-2.8 -32,-2.3 -2,-0.5 3,-0.3 -0.935 14.2-178.5-115.9 110.5 -1.7 -22.9 3.2 50 67 A L E + N 0 63C 2 13,-3.0 13,-2.0 -2,-0.6 -34,-0.1 -0.642 61.1 31.9 -98.3 159.8 -1.3 -26.5 2.3 51 69 A G S S+ 0 0 5 -36,-0.4 10,-0.3 -38,-0.3 2,-0.3 0.683 84.4 155.4 70.0 19.2 -4.0 -29.2 1.8 52 70 A E + 0 0 9 -37,-0.4 -42,-0.4 -3,-0.3 -1,-0.2 -0.579 22.1 149.9 -86.5 143.1 -6.5 -26.6 0.5 53 71 A D S S+ 0 0 15 1,-0.4 2,-0.7 -2,-0.3 -1,-0.1 0.377 81.5 30.2-118.1 -82.5 -9.6 -27.1 -1.7 54 72 A N S > S- 0 0 27 80,-0.2 3,-1.1 1,-0.2 -1,-0.4 -0.662 72.8-160.1 -75.9 114.4 -12.1 -24.5 -0.7 55 73 A I T 3 S+ 0 0 30 78,-2.4 -1,-0.2 -2,-0.7 79,-0.1 0.546 88.3 51.5 -75.1 -6.0 -9.9 -21.6 0.4 56 74 A N T 3 S+ 0 0 123 77,-0.2 2,-0.4 1,-0.1 -1,-0.2 0.372 105.5 58.3-108.9 2.8 -12.9 -20.0 2.3 57 75 A V S < S- 0 0 76 -3,-1.1 2,-0.7 76,-0.1 -4,-0.3 -0.999 78.0-128.1-135.1 132.2 -13.9 -23.1 4.4 58 76 A V + 0 0 118 -2,-0.4 -3,-0.1 1,-0.2 -6,-0.0 -0.740 34.3 172.0 -79.1 111.7 -11.9 -25.2 6.8 59 77 A E - 0 0 99 -2,-0.7 -1,-0.2 -5,-0.2 -7,-0.0 0.623 50.1 -99.2-103.0 -17.4 -12.5 -28.7 5.4 60 78 A G S S+ 0 0 60 -9,-0.0 -2,-0.1 0, 0.0 -8,-0.1 0.306 103.6 74.1 121.2 -6.0 -10.1 -30.8 7.5 61 79 A N + 0 0 64 -10,-0.3 -9,-0.1 38,-0.0 2,-0.1 0.335 67.0 120.7-117.1 5.6 -6.9 -31.4 5.5 62 80 A E - 0 0 33 -13,-0.0 2,-0.4 2,-0.0 -11,-0.2 -0.326 40.1-167.7 -71.5 151.8 -5.3 -28.0 5.8 63 81 A Q E -N 50 0C 38 -13,-2.0 -13,-3.0 -2,-0.1 2,-0.6 -0.972 7.6-163.5-131.9 121.8 -1.9 -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 -0.935 16.6 170.1-106.0 119.3 -1.3 -23.4 7.7 65 83 A I E -N 48 0C 13 -17,-2.6 -17,-2.8 -2,-0.6 -2,-0.1 -0.990 29.0-128.0-136.2 123.9 2.4 -22.6 8.2 66 84 A S E -N 47 0C 52 -2,-0.4 25,-2.9 -19,-0.3 26,-0.3 -0.344 28.4-112.7 -66.4 147.6 4.0 -19.1 8.3 67 85 A A E -O 90 0C 19 -21,-2.8 23,-0.3 23,-0.2 3,-0.1 -0.610 23.6-170.3 -74.4 140.3 7.0 -18.4 6.0 68 86 A S E S+ 0 0 65 21,-2.7 2,-0.3 1,-0.4 22,-0.2 0.714 72.5 5.9 -94.2 -27.0 10.3 -17.8 7.8 69 87 A K E -O 89 0C 92 20,-1.2 20,-2.8 2,-0.0 2,-0.4 -0.987 56.7-160.6-156.4 142.6 12.3 -16.7 4.7 70 88 A S E -O 88 0C 40 -2,-0.3 2,-0.4 18,-0.2 18,-0.2 -0.989 7.8-163.5-128.8 145.0 11.6 -15.8 1.1 71 89 A I E -O 87 0C 37 16,-2.9 16,-2.4 -2,-0.4 2,-0.2 -0.946 5.5-157.5-131.4 102.3 14.4 -15.7 -1.6 72 90 A V E -O 86 0C 48 -2,-0.4 14,-0.2 14,-0.2 12,-0.1 -0.578 42.7 -87.1 -73.2 144.6 13.6 -14.0 -4.8 73 91 A H > - 0 0 23 12,-2.3 3,-1.9 10,-0.3 -1,-0.1 -0.219 35.7-122.2 -54.1 142.0 15.9 -15.1 -7.7 74 92 A P T 3 S+ 0 0 101 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.772 110.3 40.2 -57.6 -27.9 19.1 -13.1 -7.8 75 93 A S T 3 S+ 0 0 73 8,-0.1 2,-0.1 2,-0.1 -2,-0.1 0.165 79.3 143.2-111.1 17.3 18.5 -12.0 -11.4 76 94 A Y < - 0 0 55 -3,-1.9 2,-0.5 9,-0.1 7,-0.2 -0.368 31.6-163.7 -59.9 132.1 14.7 -11.3 -11.2 77 95 A N > - 0 0 67 5,-2.2 4,-2.1 1,-0.1 5,-0.5 -0.964 7.6-163.5-119.2 111.3 13.7 -8.3 -13.3 78 96 A S T 4 S+ 0 0 77 -2,-0.5 -1,-0.1 1,-0.2 -2,-0.0 0.672 86.7 57.1 -71.1 -17.5 10.2 -7.1 -12.4 79 97 A N T 4 S+ 0 0 150 1,-0.1 -1,-0.2 3,-0.1 -2,-0.0 0.902 123.2 21.4 -77.4 -44.5 9.9 -5.0 -15.6 80 98 A T T 4 S- 0 0 74 2,-0.1 -2,-0.2 -3,-0.1 -1,-0.1 0.580 97.1-130.0 -95.5 -15.8 10.5 -7.9 -18.0 81 99 A L >< + 0 0 32 -4,-2.1 3,-0.9 1,-0.3 2,-0.2 0.581 50.1 159.6 63.8 18.8 9.5 -10.7 -15.6 82 100 A N T 3 + 0 0 37 -5,-0.5 -5,-2.2 1,-0.2 -1,-0.3 -0.481 67.6 15.2 -66.2 136.9 12.8 -12.5 -16.6 83 101 A N T 3 S+ 0 0 18 -7,-0.2 2,-2.1 1,-0.2 -10,-0.3 0.900 79.8 179.4 63.7 46.9 13.7 -15.0 -13.8 84 102 A D < + 0 0 1 -3,-0.9 2,-0.3 75,-0.2 123,-0.2 -0.476 37.4 109.9 -83.2 77.1 10.2 -14.9 -12.3 85 103 A I + 0 0 0 -2,-2.1 -12,-2.3 -47,-0.3 2,-0.3 -0.997 37.2 174.4-151.3 142.7 10.9 -17.4 -9.5 86 104 A M E -MO 37 72C 0 -49,-2.3 -49,-2.5 -2,-0.3 2,-0.4 -0.977 21.4-135.1-145.3 160.7 11.2 -17.3 -5.7 87 105 A L E -MO 36 71C 0 -16,-2.4 -16,-2.9 -2,-0.3 2,-0.4 -0.922 13.9-162.2-115.0 142.9 11.7 -19.8 -2.9 88 106 A I E -MO 35 70C 0 -53,-2.6 -53,-2.6 -2,-0.4 2,-0.4 -0.995 6.9-151.6-127.5 125.1 9.8 -19.7 0.4 89 107 A K E -MO 34 69C 39 -20,-2.8 -21,-2.7 -2,-0.4 -20,-1.2 -0.805 16.0-131.1 -97.8 137.4 10.9 -21.6 3.5 90 108 A L E - 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