==== 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 05-JUL-05 2A7H . COMPND 2 MOLECULE: CATIONIC TRYPSIN; . SOURCE 2 ORGANISM_SCIENTIFIC: BOS TAURUS; . AUTHOR C.MUELLER-DIECKMANN,S.PANJIKAR,P.A.TUCKER,M.S.WEISS . 223 1 6 6 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 8993.0 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 . 74 33.2 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 3 1.3 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 . 4 1.8 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 . 1 0.4 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 . 20 9.0 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 . 5 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 0.000 360.0 360.0 360.0 127.0 -2.7 -14.1 22.9 2 8 A V B +A 171 0A 9 169,-2.7 169,-2.2 1,-0.2 123,-0.1 -0.915 360.0 2.9-106.3 128.7 -0.5 -14.0 19.8 3 9 A G S S+ 0 0 39 121,-0.5 -1,-0.2 -2,-0.5 169,-0.1 0.702 102.6 119.0 69.1 28.4 1.2 -10.7 18.8 4 10 A G - 0 0 32 -3,-0.3 2,-0.3 167,-0.1 134,-0.2 -0.001 57.9-116.3 -98.3-150.0 -0.1 -8.8 21.9 5 11 A Y E -B 137 0B 108 132,-2.6 132,-2.8 -3,-0.1 2,-0.5 -0.973 35.2 -84.6-150.1 155.4 1.8 -7.2 24.8 6 12 A T E -B 136 0B 70 -2,-0.3 130,-0.2 130,-0.2 129,-0.1 -0.575 38.1-147.6 -61.4 117.7 2.1 -7.7 28.5 7 13 A a - 0 0 18 128,-1.7 -1,-0.2 -2,-0.5 2,-0.1 0.903 38.6-110.8 -56.8 -45.4 -1.0 -5.8 29.9 8 14 A G > - 0 0 26 127,-0.5 3,-1.9 -3,-0.1 4,-0.4 -0.104 51.2 -54.5 112.7 142.0 0.8 -4.8 33.1 9 15 A A T 3 S- 0 0 56 1,-0.3 44,-0.1 -2,-0.1 43,-0.1 -0.240 120.2 -12.2 -57.3 116.1 -0.2 -6.2 36.5 10 16 A N T 3 S+ 0 0 31 42,-0.4 -1,-0.3 2,-0.1 43,-0.1 0.717 89.4 129.0 72.3 23.2 -3.9 -5.7 37.2 11 17 A T S < S+ 0 0 82 -3,-1.9 -2,-0.1 1,-0.3 -1,-0.1 0.628 77.9 47.8 -84.2 -14.7 -4.5 -3.3 34.3 12 18 A V S > S+ 0 0 6 -4,-0.4 3,-1.9 1,-0.1 -1,-0.3 -0.706 74.3 172.1-119.9 74.6 -7.4 -5.5 33.3 13 19 A P T 3 S+ 0 0 28 0, 0.0 88,-1.4 0, 0.0 38,-0.3 0.620 72.1 58.5 -74.2 -9.8 -9.1 -5.9 36.7 14 20 A Y T 3 S+ 0 0 19 86,-0.2 15,-2.9 88,-0.1 2,-0.3 0.498 81.8 111.2 -84.0 -12.3 -12.2 -7.7 35.4 15 21 A Q E < -J 28 0C 4 -3,-1.9 36,-0.5 13,-0.2 37,-0.4 -0.538 49.0-173.8 -71.0 131.3 -10.0 -10.4 34.0 16 22 A V E -J 27 0C 1 11,-2.1 11,-1.2 -2,-0.3 2,-0.5 -0.840 19.8-143.3-126.9 143.0 -10.4 -13.7 35.8 17 23 A S E -JK 26 49C 1 32,-2.0 32,-2.7 -2,-0.3 2,-0.5 -0.967 16.4-142.9-100.6 132.6 -8.5 -17.0 35.4 18 24 A L E -JK 25 48C 0 7,-3.6 6,-2.6 -2,-0.5 7,-1.1 -0.879 25.3-167.7 -97.8 129.3 -10.7 -20.1 35.8 19 25 A N E +JK 23 47C 20 28,-2.9 28,-2.2 -2,-0.5 4,-0.2 -0.974 30.8 165.9-124.8 127.9 -8.5 -22.6 37.7 20 26 A S S S- 0 0 32 2,-2.2 3,-0.1 -2,-0.4 26,-0.1 -0.342 96.4 -43.3-130.1 59.1 -9.2 -26.3 38.3 21 27 A G S S+ 0 0 70 26,-0.1 2,-0.3 0, 0.0 -2,-0.1 0.143 140.4 21.5 97.9 -15.8 -5.7 -27.3 39.4 22 28 A Y S S- 0 0 128 -4,-0.0 -2,-2.2 0, 0.0 2,-0.3 -0.923 103.7 -76.4-172.3 155.6 -4.2 -25.1 36.6 23 29 A H E +J 19 0C 34 -2,-0.3 -4,-0.2 -4,-0.2 3,-0.1 -0.488 52.7 158.5 -63.0 128.9 -5.4 -22.2 34.5 24 30 A F E + 0 0 32 -6,-2.6 2,-0.3 1,-0.5 151,-0.2 0.608 58.4 5.2-130.4 -10.4 -7.8 -23.5 31.8 25 31 A b E -J 18 0C 6 -7,-1.1 -7,-3.6 151,-0.1 -1,-0.5 -0.978 62.2-120.4-163.6 158.1 -9.9 -20.5 30.7 26 32 A G E +J 17 0C 1 151,-3.0 12,-0.4 -2,-0.3 2,-0.3 -0.458 28.9 178.4 -91.2 176.8 -10.4 -16.7 31.1 27 33 A G E -J 16 0C 0 -11,-1.2 -11,-2.1 -2,-0.2 2,-0.4 -0.932 23.3-122.3-169.9 169.3 -13.6 -15.1 32.4 28 34 A S E -JL 15 36C 0 8,-2.1 8,-2.7 -2,-0.3 2,-0.4 -0.989 18.8-128.5-132.6 129.4 -14.8 -11.6 33.1 29 35 A L E + L 0 35C 0 -15,-2.9 74,-2.5 -2,-0.4 6,-0.3 -0.583 27.8 174.3 -76.7 129.5 -16.1 -10.4 36.5 30 36 A I E - 0 0 20 4,-2.6 2,-0.3 -2,-0.4 5,-0.2 0.628 68.2 -9.2-115.1 -19.0 -19.4 -8.6 35.9 31 37 A N E > S- L 0 34C 52 3,-1.4 3,-1.2 70,-0.1 -1,-0.4 -0.907 90.3 -78.8-158.1-179.2 -20.4 -8.0 39.5 32 38 A S T 3 S+ 0 0 33 -2,-0.3 62,-3.8 1,-0.2 60,-0.1 0.685 128.7 30.9 -56.8 -19.9 -19.0 -9.1 42.9 33 39 A Q T 3 S+ 0 0 85 60,-0.2 57,-3.1 1,-0.1 2,-0.4 0.457 110.9 67.9-119.5 -0.7 -20.6 -12.5 42.7 34 40 A W E < -LM 31 89C 6 -3,-1.2 -4,-2.6 55,-0.3 -3,-1.4 -0.988 47.4-173.5-139.1 134.1 -20.7 -13.4 39.0 35 41 A V E -LM 29 88C 0 53,-2.5 53,-2.8 -2,-0.4 2,-0.5 -0.951 16.0-144.9-119.9 136.3 -18.3 -14.1 36.2 36 42 A V E +LM 28 87C 0 -8,-2.7 -8,-2.1 -2,-0.4 2,-0.2 -0.893 33.2 150.5 -96.9 137.2 -19.1 -14.5 32.5 37 43 A S E - M 0 86C 0 49,-2.7 49,-2.3 -2,-0.5 2,-0.4 -0.762 50.3 -69.5-146.6-168.6 -17.1 -17.1 30.5 38 44 A A > - 0 0 0 -12,-0.4 3,-1.9 47,-0.3 47,-0.3 -0.756 33.7-134.1 -92.5 138.6 -17.5 -19.4 27.5 39 45 A A G > S+ 0 0 3 -2,-0.4 3,-2.0 1,-0.3 -1,-0.1 0.789 108.0 65.1 -59.2 -28.9 -19.8 -22.4 27.9 40 46 A H G 3 S+ 0 0 64 1,-0.3 -1,-0.3 41,-0.1 137,-0.0 0.616 93.2 62.9 -72.2 -7.1 -17.1 -24.5 26.3 41 47 A b G < S+ 0 0 3 -3,-1.9 -1,-0.3 -15,-0.1 -2,-0.2 0.450 76.2 133.3 -85.3 -3.5 -15.0 -23.6 29.5 42 48 A Y < + 0 0 121 -3,-2.0 2,-0.3 -4,-0.1 -3,-0.1 -0.167 22.7 151.5 -59.1 136.1 -17.6 -25.4 31.6 43 49 A K - 0 0 57 0, 0.0 3,-0.4 0, 0.0 2,-0.2 -0.959 46.7-107.9-157.0 145.5 -16.0 -27.8 34.1 44 50 A S S S+ 0 0 100 -2,-0.3 25,-0.0 1,-0.2 0, 0.0 -0.558 97.7 24.2 -67.9 145.0 -17.2 -29.0 37.5 45 51 A G S S+ 0 0 67 -2,-0.2 2,-0.2 1,-0.2 -1,-0.2 0.875 76.7 178.7 71.1 43.0 -15.3 -27.5 40.5 46 52 A I - 0 0 2 -3,-0.4 21,-2.9 -26,-0.1 2,-0.5 -0.536 18.3-156.8 -75.7 136.2 -14.0 -24.2 39.2 47 53 A Q E -KN 19 66C 50 -28,-2.2 -28,-2.9 19,-0.3 2,-0.4 -0.989 16.6-143.4-104.5 125.9 -12.0 -21.9 41.4 48 54 A V E -KN 18 65C 0 17,-3.6 17,-2.9 -2,-0.5 2,-0.6 -0.729 10.3-154.4 -91.5 137.4 -12.2 -18.3 40.0 49 55 A R E -KN 17 64C 50 -32,-2.7 -32,-2.0 -2,-0.4 3,-0.3 -0.952 14.5-176.4-119.1 118.2 -8.9 -16.4 40.5 50 56 A L E + N 0 63C 2 13,-3.5 13,-2.4 -2,-0.6 -34,-0.1 -0.715 61.9 29.7-110.6 158.6 -9.3 -12.7 40.6 51 57 A G S S+ 0 0 4 -36,-0.5 10,-0.3 48,-0.4 2,-0.2 0.655 84.1 154.8 73.1 17.2 -6.5 -10.1 40.8 52 58 A E + 0 0 8 -37,-0.4 -42,-0.4 -3,-0.3 -1,-0.2 -0.505 19.0 152.6 -80.9 141.8 -4.1 -12.3 38.9 53 59 A D S S+ 0 0 12 1,-0.5 2,-0.7 4,-0.3 -1,-0.2 0.342 79.6 29.7-117.6 -80.3 -1.2 -11.1 37.0 54 60 A N S > S- 0 0 28 80,-0.2 3,-1.1 1,-0.2 -1,-0.5 -0.650 74.7-158.9 -65.9 112.9 1.4 -13.8 37.0 55 61 A I T 3 S+ 0 0 27 78,-3.0 -1,-0.2 -2,-0.7 79,-0.1 0.621 89.0 52.3 -71.8 -8.6 -0.8 -16.9 37.3 56 62 A N T 3 S+ 0 0 117 77,-0.3 2,-0.4 1,-0.1 -1,-0.2 0.420 105.7 57.8-100.6 -2.8 2.1 -18.9 38.6 57 63 A V S < S- 0 0 71 -3,-1.1 2,-0.7 76,-0.2 -4,-0.3 -0.996 76.6-129.1-137.3 128.6 3.2 -16.5 41.3 58 64 A V + 0 0 116 -2,-0.4 -3,-0.1 1,-0.2 -6,-0.0 -0.716 33.3 171.2 -75.0 111.2 1.3 -15.2 44.4 59 65 A E - 0 0 98 -2,-0.7 -1,-0.2 -5,-0.2 -7,-0.0 0.538 53.4-100.3-105.0 -9.7 2.0 -11.4 44.0 60 66 A G S S+ 0 0 55 -3,-0.1 -2,-0.1 -9,-0.0 -8,-0.1 0.329 102.8 79.7 115.1 -6.2 -0.4 -10.3 46.7 61 67 A N + 0 0 56 -10,-0.3 2,-0.1 38,-0.0 -9,-0.1 0.378 64.9 121.8-113.8 12.0 -3.6 -9.0 45.0 62 68 A E - 0 0 35 -13,-0.0 2,-0.4 -11,-0.0 -11,-0.3 -0.363 40.0-168.0 -74.1 146.0 -5.3 -12.3 44.3 63 69 A Q E -N 50 0C 38 -13,-2.4 -13,-3.5 -2,-0.1 2,-0.6 -0.993 7.6-162.6-125.6 128.5 -8.6 -13.6 45.4 64 70 A F E +N 49 0C 77 -2,-0.4 2,-0.4 -15,-0.2 -15,-0.2 -0.946 16.9 172.0-110.4 123.8 -9.3 -17.2 45.0 65 71 A I E -N 48 0C 14 -17,-2.9 -17,-3.6 -2,-0.6 2,-0.1 -0.985 27.7-128.7-137.3 124.2 -12.9 -18.1 45.2 66 72 A S E -N 47 0C 61 -2,-0.4 25,-3.6 -19,-0.3 26,-0.3 -0.390 28.6-113.3 -67.6 147.2 -14.7 -21.3 44.4 67 73 A A E -O 90 0C 23 -21,-2.9 23,-0.3 23,-0.2 3,-0.1 -0.578 22.0-169.3 -74.9 135.5 -17.7 -21.4 42.1 68 74 A S E S+ 0 0 67 21,-3.1 2,-0.3 1,-0.4 22,-0.2 0.636 73.0 2.9 -94.1 -20.3 -21.0 -22.3 43.8 69 75 A K E -O 89 0C 80 20,-1.2 20,-2.8 2,-0.0 -1,-0.4 -0.983 55.7-156.7-166.9 141.4 -22.8 -22.7 40.5 70 76 A S E -O 88 0C 39 -2,-0.3 2,-0.5 18,-0.2 18,-0.2 -0.994 8.1-166.2-122.8 138.6 -22.3 -22.6 36.7 71 77 A I E -O 87 0C 38 16,-2.6 16,-2.7 -2,-0.4 2,-0.3 -0.973 7.3-158.9-129.7 108.6 -25.2 -21.9 34.3 72 78 A V E -O 86 0C 48 -2,-0.5 14,-0.2 14,-0.2 12,-0.1 -0.719 41.1 -86.6 -80.9 142.3 -24.4 -22.7 30.7 73 79 A H > - 0 0 22 12,-2.5 3,-1.9 -2,-0.3 -1,-0.1 -0.187 35.3-124.5 -48.8 134.7 -26.7 -20.9 28.1 74 80 A P T 3 S+ 0 0 101 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.809 111.6 42.5 -54.4 -31.0 -29.9 -22.9 27.5 75 81 A S T 3 S+ 0 0 71 2,-0.1 2,-0.1 8,-0.1 -2,-0.1 0.219 80.2 142.1-105.9 13.4 -29.2 -23.0 23.8 76 82 A Y < - 0 0 53 -3,-1.9 2,-0.6 9,-0.1 7,-0.2 -0.340 32.3-165.3 -58.5 126.5 -25.5 -23.7 24.0 77 83 A N B >> -P 82 0D 64 5,-2.3 4,-1.9 1,-0.1 5,-0.6 -0.963 8.1-165.6-115.7 113.5 -24.5 -26.1 21.2 78 84 A S T 45S+ 0 0 73 -2,-0.6 -1,-0.1 1,-0.2 -2,-0.0 0.663 85.3 58.7 -78.2 -13.2 -21.1 -27.6 21.8 79 85 A N T 45S+ 0 0 153 1,-0.1 -1,-0.2 3,-0.1 -2,-0.0 0.949 124.1 19.7 -73.8 -44.4 -20.8 -28.8 18.3 80 86 A T T 45S- 0 0 71 2,-0.1 -2,-0.2 76,-0.0 -1,-0.1 0.552 96.9-128.6 -98.0 -13.1 -21.1 -25.3 16.7 81 87 A L T ><5 + 0 0 29 -4,-1.9 3,-0.8 1,-0.2 2,-0.2 0.687 50.6 161.6 59.7 23.7 -20.2 -23.3 19.8 82 88 A N B 3 < +P 77 0D 39 -5,-0.6 -5,-2.3 1,-0.3 -1,-0.2 -0.545 67.0 17.9 -69.0 141.2 -23.4 -21.3 19.1 83 89 A N T 3 S- 0 0 15 -7,-0.2 2,-2.0 -2,-0.2 -10,-0.3 0.918 81.3-178.7 56.5 51.5 -24.4 -19.5 22.4 84 90 A D < + 0 0 0 -3,-0.8 2,-0.3 75,-0.2 123,-0.2 -0.480 37.3 106.7 -84.3 74.4 -20.9 -19.9 23.9 85 91 A I + 0 0 0 -2,-2.0 -12,-2.5 -47,-0.3 2,-0.3 -0.995 37.7 175.1-153.0 141.4 -21.5 -18.3 27.2 86 92 A M E -MO 37 72C 0 -49,-2.3 -49,-2.7 -2,-0.3 2,-0.4 -0.990 22.0-135.1-146.5 152.4 -21.9 -19.3 30.7 87 93 A L E -MO 36 71C 0 -16,-2.7 -16,-2.6 -2,-0.3 2,-0.4 -0.885 15.6-163.5-104.1 140.1 -22.3 -17.6 34.1 88 94 A I E -MO 35 70C 0 -53,-2.8 -53,-2.5 -2,-0.4 2,-0.4 -0.997 8.7-148.6-126.0 126.2 -20.4 -18.7 37.1 89 95 A K E -MO 34 69C 40 -20,-2.8 -21,-3.1 -2,-0.4 -20,-1.2 -0.823 17.3-125.7 -96.5 136.1 -21.5 -17.6 40.6 90 96 A L E - 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