==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 22-FEB-06 2G55 . COMPND 2 MOLECULE: CATIONIC TRYPSIN; . SOURCE 2 ORGANISM_SCIENTIFIC: BOS TAURUS; . AUTHOR C.MUELLER-DIECKMANN,M.S.WEISS . 223 1 6 6 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9123.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 137 61.4 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 . 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 . 15 6.7 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 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 . 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 7 A I 0 0 2 0, 0.0 2,-0.5 0, 0.0 3,-0.3 0.000 360.0 360.0 360.0 126.9 -2.8 -14.3 23.1 2 8 A V B +A 171 0A 10 169,-3.3 169,-2.3 1,-0.2 123,-0.1 -0.903 360.0 8.8-106.9 131.6 -0.5 -14.2 20.0 3 9 A G S S+ 0 0 35 121,-0.5 -1,-0.2 -2,-0.5 169,-0.1 0.679 103.5 118.5 78.9 20.2 1.1 -11.0 18.8 4 10 A G - 0 0 35 -3,-0.3 2,-0.3 167,-0.1 134,-0.2 0.072 57.2-117.3 -98.7-154.6 0.0 -9.1 21.9 5 11 A Y E -B 137 0B 108 132,-2.4 132,-2.6 -3,-0.1 2,-0.5 -0.957 34.6 -85.0-148.8 157.9 1.8 -7.4 24.7 6 12 A T E -B 136 0B 71 -2,-0.3 130,-0.2 130,-0.2 129,-0.1 -0.623 36.4-150.8 -68.9 120.8 2.2 -7.7 28.5 7 13 A a - 0 0 19 128,-2.0 -1,-0.2 -2,-0.5 129,-0.1 0.889 35.7-114.4 -62.1 -44.7 -0.7 -5.9 30.0 8 14 A G > - 0 0 26 127,-0.5 3,-1.7 -3,-0.1 4,-0.3 -0.063 49.3 -54.0 109.3 146.4 1.0 -4.9 33.2 9 15 A A T 3 S- 0 0 54 1,-0.3 44,-0.1 2,-0.1 43,-0.0 -0.269 119.3 -11.6 -63.8 124.9 -0.1 -6.2 36.6 10 16 A N T 3 S+ 0 0 34 42,-0.4 -1,-0.3 2,-0.1 43,-0.1 0.701 90.2 128.8 65.0 24.5 -3.8 -5.7 37.4 11 17 A T S < S+ 0 0 80 -3,-1.7 -2,-0.1 1,-0.3 -1,-0.1 0.571 77.4 46.6 -82.0 -11.4 -4.3 -3.3 34.4 12 18 A V S > S+ 0 0 6 -4,-0.3 3,-1.9 87,-0.1 -1,-0.3 -0.698 74.8 172.8-126.1 72.5 -7.3 -5.5 33.5 13 19 A P T 3 S+ 0 0 30 0, 0.0 88,-1.5 0, 0.0 38,-0.3 0.588 71.8 57.9 -74.6 -7.8 -8.9 -5.8 36.9 14 20 A Y T 3 S+ 0 0 21 86,-0.2 15,-2.5 88,-0.1 2,-0.4 0.487 81.5 109.4 -88.6 -8.3 -12.1 -7.7 35.7 15 21 A Q E < -J 28 0C 4 -3,-1.9 36,-0.5 13,-0.2 37,-0.4 -0.576 49.7-173.2 -77.4 128.3 -10.0 -10.5 34.2 16 22 A V E -J 27 0C 1 11,-2.5 11,-1.3 -2,-0.4 2,-0.5 -0.818 18.7-140.4-118.8 151.8 -10.3 -13.7 36.1 17 23 A S E -JK 26 49C 1 32,-2.4 32,-2.6 -2,-0.3 2,-0.6 -0.978 15.8-141.7-108.9 130.0 -8.4 -17.1 35.8 18 24 A L E -JK 25 48C 0 7,-3.1 6,-2.5 -2,-0.5 7,-1.0 -0.868 23.7-166.4 -91.4 127.0 -10.5 -20.2 36.2 19 25 A N E +JK 23 47C 22 28,-3.0 28,-2.5 -2,-0.6 4,-0.2 -0.939 30.7 165.0-122.7 127.0 -8.5 -22.8 38.1 20 26 A S S S- 0 0 30 2,-2.1 3,-0.1 -2,-0.4 26,-0.1 -0.267 97.8 -45.9-126.8 48.2 -9.1 -26.6 38.6 21 27 A G S S+ 0 0 69 26,-0.1 2,-0.3 1,-0.1 -2,-0.1 0.194 140.7 25.2 104.1 -11.3 -5.6 -27.4 39.8 22 28 A Y S S- 0 0 132 -4,-0.0 -2,-2.1 0, 0.0 2,-0.3 -0.930 103.3 -79.8-174.7 154.4 -4.2 -25.3 37.0 23 29 A H E +J 19 0C 38 -2,-0.3 -4,-0.2 -4,-0.2 3,-0.1 -0.599 51.9 158.8 -68.7 131.2 -5.4 -22.3 34.8 24 30 A F E + 0 0 35 -6,-2.5 2,-0.3 1,-0.4 151,-0.2 0.520 59.1 3.1-128.7 -10.9 -7.8 -23.6 32.1 25 31 A b E -J 18 0C 6 -7,-1.0 -7,-3.1 151,-0.1 -1,-0.4 -0.970 62.3-121.9-164.6 156.7 -9.9 -20.6 31.0 26 32 A G E +J 17 0C 1 151,-2.6 12,-0.4 -2,-0.3 2,-0.3 -0.455 26.7 178.1 -91.4 180.0 -10.5 -16.9 31.5 27 33 A G E -J 16 0C 0 -11,-1.3 -11,-2.5 -2,-0.2 2,-0.4 -0.953 24.0-116.6-169.1 173.8 -13.6 -15.2 32.6 28 34 A S E -JL 15 36C 0 8,-2.5 8,-2.5 -2,-0.3 2,-0.5 -0.990 19.9-127.6-128.6 132.3 -14.8 -11.7 33.4 29 35 A L E + L 0 35C 1 -15,-2.5 74,-2.3 -2,-0.4 6,-0.2 -0.647 28.1 173.6 -77.6 125.8 -16.1 -10.3 36.8 30 36 A I E - 0 0 21 4,-2.6 2,-0.3 -2,-0.5 5,-0.2 0.641 67.6 -10.5-109.5 -19.7 -19.5 -8.7 36.3 31 37 A N E > S- L 0 34C 56 3,-1.4 3,-1.1 70,-0.1 -1,-0.4 -0.933 88.1 -79.9-160.8 179.5 -20.4 -7.9 39.9 32 38 A S T 3 S+ 0 0 35 -2,-0.3 62,-3.3 1,-0.3 60,-0.1 0.698 128.6 32.9 -59.8 -18.7 -19.0 -8.9 43.3 33 39 A Q T 3 S+ 0 0 85 60,-0.2 57,-2.6 1,-0.1 2,-0.4 0.443 111.1 64.8-116.0 -5.1 -20.8 -12.4 43.1 34 40 A W E < -LM 31 89C 6 -3,-1.1 -4,-2.6 55,-0.2 -3,-1.4 -0.979 47.4-171.7-140.6 137.7 -20.7 -13.3 39.4 35 41 A V E -LM 29 88C 0 53,-2.6 53,-2.9 -2,-0.4 2,-0.4 -0.952 15.2-146.0-121.9 140.6 -18.4 -14.1 36.6 36 42 A V E +LM 28 87C 0 -8,-2.5 -8,-2.5 -2,-0.4 2,-0.2 -0.921 32.7 147.9-105.7 134.6 -19.2 -14.6 32.9 37 43 A S E - M 0 86C 0 49,-3.0 49,-2.2 -2,-0.4 2,-0.3 -0.741 49.3 -67.1-144.0-170.6 -17.2 -17.2 30.8 38 44 A A > - 0 0 0 -12,-0.4 3,-1.4 47,-0.3 47,-0.3 -0.694 32.3-133.0 -85.6 140.3 -17.6 -19.5 27.9 39 45 A A G > S+ 0 0 3 -2,-0.3 3,-2.2 1,-0.2 -1,-0.1 0.851 107.6 64.4 -56.1 -31.9 -19.9 -22.6 28.2 40 46 A H G 3 S+ 0 0 66 1,-0.3 -1,-0.2 41,-0.1 137,-0.0 0.670 93.1 64.4 -75.3 -5.3 -17.2 -24.7 26.7 41 47 A b G < S+ 0 0 4 -3,-1.4 -1,-0.3 -15,-0.1 -2,-0.2 0.379 74.9 134.1 -87.5 0.1 -15.1 -23.8 29.9 42 48 A Y < + 0 0 128 -3,-2.2 2,-0.3 -4,-0.1 -3,-0.1 -0.311 21.1 147.3 -57.3 133.1 -17.7 -25.7 32.0 43 49 A K - 0 0 56 -2,-0.0 3,-0.4 0, 0.0 2,-0.2 -0.954 47.4-108.1-154.1 150.0 -16.1 -28.0 34.6 44 50 A S S S+ 0 0 96 -2,-0.3 0, 0.0 1,-0.2 0, 0.0 -0.524 97.9 29.7 -69.0 148.1 -17.1 -29.1 38.2 45 51 A G S S+ 0 0 71 1,-0.2 2,-0.4 -2,-0.2 -1,-0.2 0.913 77.1 176.1 73.6 43.9 -15.0 -27.7 41.0 46 52 A I - 0 0 7 -3,-0.4 21,-2.6 -26,-0.1 2,-0.5 -0.660 17.3-160.2 -83.0 136.6 -13.9 -24.4 39.6 47 53 A Q E -KN 19 66C 49 -28,-2.5 -28,-3.0 -2,-0.4 2,-0.4 -0.983 14.2-142.8-110.5 128.2 -12.0 -21.9 41.7 48 54 A V E -KN 18 65C 0 17,-3.0 17,-2.9 -2,-0.5 2,-0.5 -0.765 10.8-158.5 -91.9 133.7 -12.1 -18.4 40.4 49 55 A R E -KN 17 64C 50 -32,-2.6 -32,-2.4 -2,-0.4 3,-0.3 -0.970 13.5-177.9-120.4 112.3 -8.8 -16.4 40.8 50 56 A L E + N 0 63C 2 13,-2.8 13,-2.1 -2,-0.5 -34,-0.1 -0.716 60.9 31.6-105.1 160.5 -9.2 -12.7 40.8 51 57 A G S S+ 0 0 5 -36,-0.5 10,-0.3 48,-0.3 2,-0.3 0.712 84.4 154.2 66.0 22.4 -6.5 -10.0 41.0 52 58 A E + 0 0 10 -37,-0.4 -42,-0.4 -3,-0.3 -1,-0.2 -0.609 20.6 152.2 -82.5 141.0 -4.0 -12.2 39.2 53 59 A D S S+ 0 0 14 1,-0.4 2,-0.8 -2,-0.3 -1,-0.1 0.410 80.4 30.1-118.1 -79.4 -1.0 -11.1 37.1 54 60 A N S > S- 0 0 29 80,-0.2 3,-1.2 1,-0.2 -1,-0.4 -0.687 74.0-160.1 -73.1 110.6 1.6 -13.9 37.2 55 61 A I T 3 S+ 0 0 29 78,-2.6 -1,-0.2 -2,-0.8 79,-0.1 0.584 87.4 52.3 -72.1 -7.9 -0.7 -17.0 37.6 56 62 A N T 3 S+ 0 0 117 77,-0.2 2,-0.4 1,-0.1 -1,-0.2 0.382 105.3 57.9-103.5 -1.0 2.3 -19.1 39.0 57 63 A V S < S- 0 0 72 -3,-1.2 2,-0.7 76,-0.2 -4,-0.3 -0.997 77.8-128.7-132.1 133.3 3.4 -16.6 41.7 58 64 A V + 0 0 114 -2,-0.4 -3,-0.1 1,-0.2 -6,-0.0 -0.737 33.4 171.4 -81.0 113.1 1.5 -15.2 44.7 59 65 A E - 0 0 98 -2,-0.7 -1,-0.2 -5,-0.2 -7,-0.0 0.579 51.4-101.8-106.6 -14.4 2.2 -11.5 44.3 60 66 A G S S+ 0 0 58 -9,-0.0 -2,-0.1 0, 0.0 -8,-0.1 0.367 101.8 78.3 120.4 -4.9 -0.2 -10.2 47.0 61 67 A N + 0 0 55 -10,-0.3 2,-0.1 38,-0.0 -9,-0.1 0.319 66.3 121.2-112.9 9.8 -3.4 -8.9 45.3 62 68 A E - 0 0 36 -13,-0.0 2,-0.4 2,-0.0 -11,-0.2 -0.384 41.2-166.3 -78.5 150.4 -5.1 -12.2 44.6 63 69 A Q E -N 50 0C 36 -13,-2.1 -13,-2.8 -2,-0.1 2,-0.6 -0.996 6.9-163.3-128.1 124.9 -8.5 -13.5 45.8 64 70 A F E +N 49 0C 81 -2,-0.4 2,-0.4 -15,-0.2 -15,-0.2 -0.956 16.8 171.2-111.0 119.9 -9.2 -17.2 45.4 65 71 A I E -N 48 0C 14 -17,-2.9 -17,-3.0 -2,-0.6 2,-0.1 -0.989 28.8-126.8-136.0 128.8 -12.9 -18.1 45.6 66 72 A S E -N 47 0C 63 -2,-0.4 25,-2.9 -19,-0.2 26,-0.3 -0.399 28.8-114.2 -70.7 143.7 -14.6 -21.3 44.9 67 73 A A E -O 90 0C 28 -21,-2.6 23,-0.3 23,-0.2 3,-0.1 -0.578 21.8-168.2 -70.2 136.6 -17.6 -21.4 42.6 68 74 A S E S+ 0 0 65 21,-2.8 2,-0.3 1,-0.4 22,-0.2 0.668 72.1 3.7 -93.5 -28.5 -20.9 -22.2 44.3 69 75 A K E -O 89 0C 80 20,-1.1 20,-2.7 2,-0.0 -1,-0.4 -0.976 56.7-155.3-156.4 149.3 -22.9 -22.7 41.0 70 76 A S E -O 88 0C 42 -2,-0.3 2,-0.5 18,-0.2 18,-0.2 -0.965 9.8-165.2-123.4 137.4 -22.3 -22.7 37.2 71 77 A I E -O 87 0C 39 16,-2.8 16,-2.4 -2,-0.4 2,-0.3 -0.942 5.7-158.4-128.5 110.4 -25.1 -22.0 34.8 72 78 A V E -O 86 0C 50 -2,-0.5 14,-0.2 14,-0.2 12,-0.1 -0.661 38.9 -89.2 -81.4 143.7 -24.6 -22.9 31.2 73 79 A H > - 0 0 23 12,-2.4 3,-2.0 -2,-0.3 -1,-0.1 -0.180 33.6-126.6 -52.1 134.6 -26.8 -21.1 28.6 74 80 A P T 3 S+ 0 0 97 0, 0.0 -1,-0.2 0, 0.0 -2,-0.1 0.797 109.2 42.5 -55.9 -28.6 -30.0 -23.1 28.0 75 81 A S T 3 S+ 0 0 71 8,-0.1 2,-0.2 2,-0.1 -2,-0.1 0.215 79.1 139.9-105.7 12.0 -29.4 -23.1 24.2 76 82 A Y < - 0 0 53 -3,-2.0 2,-0.5 9,-0.1 7,-0.2 -0.377 34.4-163.6 -59.3 129.1 -25.6 -23.9 24.3 77 83 A N B >> -P 82 0D 68 5,-2.2 4,-2.0 -2,-0.2 5,-0.5 -0.961 7.3-162.7-115.3 111.4 -24.7 -26.4 21.5 78 84 A S T 45S+ 0 0 81 -2,-0.5 -1,-0.1 1,-0.2 -2,-0.0 0.632 87.3 59.2 -71.8 -12.6 -21.3 -28.0 22.2 79 85 A N T 45S+ 0 0 151 1,-0.1 -1,-0.2 3,-0.1 -2,-0.0 0.907 123.5 18.4 -81.0 -42.6 -21.1 -29.1 18.6 80 86 A T T 45S- 0 0 70 -3,-0.2 -2,-0.2 2,-0.1 -1,-0.1 0.522 95.8-127.6-102.2 -13.7 -21.3 -25.6 17.0 81 87 A L T ><5 + 0 0 30 -4,-2.0 3,-0.8 1,-0.3 2,-0.2 0.624 50.7 160.9 64.1 19.5 -20.5 -23.5 20.0 82 88 A N B 3 < +P 77 0D 37 -5,-0.5 -5,-2.2 1,-0.3 -1,-0.3 -0.500 67.9 16.5 -66.5 136.5 -23.6 -21.5 19.4 83 89 A N T 3 S- 0 0 15 -7,-0.2 2,-2.1 1,-0.2 -1,-0.3 0.896 80.7-178.9 65.5 48.1 -24.5 -19.7 22.7 84 90 A D < + 0 0 0 -3,-0.8 2,-0.3 75,-0.2 123,-0.2 -0.451 36.3 111.8 -82.6 78.0 -21.1 -20.2 24.2 85 91 A I + 0 0 0 -2,-2.1 -12,-2.4 -47,-0.3 2,-0.3 -0.998 35.5 173.3-154.0 142.3 -21.7 -18.5 27.5 86 92 A M E -MO 37 72C 0 -49,-2.2 -49,-3.0 -2,-0.3 2,-0.4 -0.981 21.1-137.7-150.8 148.2 -22.0 -19.5 31.1 87 93 A L E -MO 36 71C 0 -16,-2.4 -16,-2.8 -2,-0.3 2,-0.4 -0.899 13.5-161.2-107.6 144.9 -22.3 -17.7 34.5 88 94 A I E -MO 35 70C 0 -53,-2.9 -53,-2.6 -2,-0.4 2,-0.4 -0.994 6.7-150.3-130.9 121.8 -20.4 -18.7 37.6 89 95 A K E -MO 34 69C 36 -20,-2.7 -21,-2.8 -2,-0.4 -20,-1.1 -0.802 17.2-128.8 -94.7 139.4 -21.5 -17.6 41.0 90 96 A L E - 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