==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=29-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 08-DEC-05 2D8W . COMPND 2 MOLECULE: CATIONIC TRYPSIN; . SOURCE 2 ORGANISM_SCIENTIFIC: BOS TAURUS; . AUTHOR H.MIYATAKE,T.HASEGAWA,A.YAMANO . 223 1 6 6 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9316.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 136 61.0 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 . 71 31.8 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 . 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 . 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 . 16 7.2 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 . 4 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 7 A I 0 0 2 0, 0.0 2,-0.5 0, 0.0 3,-0.3 0.000 360.0 360.0 360.0 125.4 35.2 8.6 14.6 2 8 A V B +A 171 0A 11 169,-2.9 169,-1.7 1,-0.2 123,-0.1 -0.894 360.0 4.7-105.4 130.9 37.4 9.3 17.6 3 9 A G S S+ 0 0 43 121,-0.5 -1,-0.2 -2,-0.5 122,-0.1 0.754 102.2 122.7 71.8 25.3 39.2 6.5 19.3 4 10 A G - 0 0 35 -3,-0.3 2,-0.3 134,-0.1 134,-0.2 -0.034 55.3-113.8 -99.5-156.1 38.0 3.9 16.8 5 11 A Y E -B 137 0B 100 132,-2.8 132,-3.8 -3,-0.1 2,-0.6 -0.938 34.9 -87.0-141.3 160.2 39.7 1.4 14.5 6 12 A T E -B 136 0B 74 -2,-0.3 130,-0.2 130,-0.2 129,-0.1 -0.612 37.4-151.9 -70.7 116.2 40.2 0.8 10.8 7 13 A a - 0 0 18 128,-1.9 -1,-0.2 -2,-0.6 129,-0.1 0.943 35.5-112.6 -54.2 -56.0 37.2 -1.2 9.8 8 14 A G > - 0 0 24 127,-0.5 3,-2.0 -3,-0.1 4,-0.2 -0.112 46.6 -56.2 122.5 137.5 38.7 -3.0 6.9 9 15 A A T 3 S- 0 0 48 1,-0.3 44,-0.1 2,-0.1 43,-0.0 -0.164 119.2 -12.9 -49.5 120.3 37.9 -2.6 3.2 10 16 A N T 3 S+ 0 0 23 42,-0.4 -1,-0.3 2,-0.1 43,-0.1 0.732 90.4 129.3 59.0 30.5 34.2 -3.3 2.6 11 17 A T S < S+ 0 0 81 -3,-2.0 -2,-0.1 1,-0.3 -1,-0.1 0.471 74.9 50.3 -90.0 -1.5 33.6 -4.8 6.0 12 18 A V S > S+ 0 0 6 -4,-0.2 3,-2.3 87,-0.1 -1,-0.3 -0.596 72.8 176.2-132.4 68.1 30.6 -2.5 6.5 13 19 A P T 3 S+ 0 0 33 0, 0.0 88,-1.2 0, 0.0 38,-0.3 0.597 75.4 54.9 -50.4 -20.4 28.8 -3.1 3.1 14 20 A Y T 3 S+ 0 0 21 86,-0.2 15,-2.2 88,-0.1 2,-0.3 0.583 81.4 108.6 -93.1 -11.2 25.8 -0.9 4.0 15 21 A Q E < -J 28 0C 5 -3,-2.3 37,-0.4 13,-0.2 36,-0.4 -0.502 49.2-175.2 -69.5 125.7 28.0 2.2 4.7 16 22 A V E -J 27 0C 0 11,-2.4 11,-1.3 -2,-0.3 2,-0.5 -0.844 19.7-138.6-120.1 158.8 27.6 4.8 2.0 17 23 A S E -JK 26 49C 0 32,-2.1 32,-2.4 -2,-0.3 2,-0.6 -0.974 14.5-140.9-116.4 128.2 29.4 8.1 1.5 18 24 A L E -JK 25 48C 0 7,-3.2 6,-2.3 -2,-0.5 7,-0.9 -0.822 25.0-167.3 -90.5 122.8 27.4 11.1 0.4 19 25 A N E +JK 23 47C 19 28,-2.6 28,-2.3 -2,-0.6 4,-0.2 -0.942 30.5 166.3-120.5 128.0 29.4 13.1 -2.1 20 26 A S S S- 0 0 28 2,-2.4 3,-0.1 -2,-0.5 26,-0.1 -0.273 97.2 -48.7-126.0 42.5 28.8 16.6 -3.5 21 27 A G S S+ 0 0 69 26,-0.1 2,-0.3 1,-0.1 -2,-0.1 0.207 140.2 27.5 106.4 -8.7 32.2 17.0 -5.0 22 28 A Y S S- 0 0 131 -4,-0.0 -2,-2.4 0, 0.0 2,-0.3 -0.938 103.0 -80.4-170.0 160.0 33.6 15.8 -1.7 23 29 A H E +J 19 0C 18 -2,-0.3 -4,-0.2 -4,-0.2 3,-0.1 -0.596 50.4 157.6 -75.0 131.6 32.5 13.6 1.2 24 30 A F E + 0 0 32 -6,-2.3 2,-0.3 1,-0.4 151,-0.2 0.497 60.5 2.6-130.7 -12.6 30.2 15.5 3.5 25 31 A b E -J 18 0C 7 -7,-0.9 -7,-3.2 151,-0.1 -1,-0.4 -0.983 62.1-120.1-167.2 163.8 28.1 12.8 5.3 26 32 A G E -J 17 0C 0 151,-3.2 12,-0.4 -2,-0.3 2,-0.3 -0.470 27.7-177.8-102.3 179.7 27.6 9.1 5.7 27 33 A G E -J 16 0C 0 -11,-1.3 -11,-2.4 -2,-0.2 2,-0.4 -0.962 22.8-117.1-167.0 171.3 24.5 7.1 5.0 28 34 A S E -JL 15 36C 1 8,-2.5 8,-2.9 -2,-0.3 2,-0.6 -0.990 18.9-134.5-127.3 130.7 23.0 3.6 5.2 29 35 A L E + L 0 35C 1 -15,-2.2 74,-2.4 -2,-0.4 6,-0.2 -0.727 26.5 171.7 -84.0 116.5 21.8 1.5 2.3 30 36 A I E - 0 0 19 4,-1.9 2,-0.3 -2,-0.6 5,-0.2 0.499 67.6 -8.3-103.1 -7.6 18.4 -0.1 3.2 31 37 A N E > S- L 0 34C 41 3,-1.0 3,-1.0 70,-0.1 -1,-0.3 -0.937 91.1 -73.6-172.0 172.8 17.6 -1.5 -0.2 32 38 A S T 3 S+ 0 0 44 -2,-0.3 62,-3.6 1,-0.2 60,-0.1 0.633 127.8 21.3 -57.7 -16.9 18.9 -1.4 -3.8 33 39 A Q T 3 S+ 0 0 66 60,-0.2 57,-2.4 1,-0.1 2,-0.4 0.294 109.6 76.4-139.3 20.2 17.7 2.1 -4.4 34 40 A W E < -LM 31 89C 3 -3,-1.0 -4,-1.9 55,-0.2 -3,-1.0 -0.991 47.6-172.1-135.9 137.3 17.2 3.8 -1.0 35 41 A V E -LM 29 88C 0 53,-2.7 53,-2.9 -2,-0.4 2,-0.5 -0.945 12.9-147.1-123.5 142.6 19.6 5.3 1.5 36 42 A V E +LM 28 87C 0 -8,-2.9 -8,-2.5 -2,-0.4 2,-0.2 -0.933 32.3 145.9-111.8 133.5 18.9 6.6 5.0 37 43 A S E - M 0 86C 0 49,-2.8 49,-2.1 -2,-0.5 2,-0.4 -0.714 50.3 -64.7-144.3-164.3 20.8 9.5 6.4 38 44 A A > - 0 0 0 -12,-0.4 3,-2.0 47,-0.3 47,-0.3 -0.783 32.7-135.0 -96.4 139.2 20.4 12.6 8.7 39 45 A A G > S+ 0 0 2 -2,-0.4 3,-2.1 1,-0.3 -1,-0.1 0.850 106.1 63.3 -58.9 -35.7 18.1 15.4 7.6 40 46 A H G 3 S+ 0 0 67 1,-0.3 -1,-0.3 41,-0.1 137,-0.0 0.606 92.4 66.8 -68.3 -5.6 20.8 17.9 8.6 41 47 A b G < S+ 0 0 5 -3,-2.0 -1,-0.3 -15,-0.0 -2,-0.2 0.298 77.1 131.7 -92.8 8.1 22.9 16.4 5.9 42 48 A X < + 0 0 159 -3,-2.1 2,-0.3 -5,-0.0 -3,-0.0 -0.367 18.1 130.1 -67.5 141.1 20.5 17.7 3.2 43 49 A K - 0 0 49 -2,-0.1 3,-0.2 0, 0.0 2,-0.1 -0.918 51.9 -99.5-174.5 162.2 21.8 19.5 0.2 44 50 A S S S+ 0 0 91 -2,-0.3 0, 0.0 1,-0.2 0, 0.0 -0.467 93.6 46.2 -90.0 167.3 21.2 19.3 -3.6 45 51 A G S S+ 0 0 67 1,-0.2 2,-0.4 -2,-0.1 -1,-0.2 0.917 74.6 173.8 69.4 45.1 23.5 17.6 -6.1 46 52 A I - 0 0 9 -3,-0.2 21,-2.7 21,-0.1 2,-0.5 -0.719 18.0-171.1 -91.8 131.4 24.0 14.5 -4.1 47 53 A Q E -KN 19 66C 49 -28,-2.3 -28,-2.6 -2,-0.4 2,-0.4 -0.982 17.8-140.8-118.6 123.7 25.9 11.5 -5.5 48 54 A V E -KN 18 65C 0 17,-3.1 17,-2.7 -2,-0.5 2,-0.6 -0.706 12.5-159.5 -86.2 131.8 25.8 8.3 -3.4 49 55 A R E -KN 17 64C 52 -32,-2.4 -32,-2.1 -2,-0.4 3,-0.3 -0.924 12.8-179.3-117.1 110.3 29.0 6.3 -3.2 50 56 A L E + N 0 63C 2 13,-2.7 13,-1.9 -2,-0.6 -34,-0.1 -0.631 60.8 34.0-103.2 161.1 28.7 2.6 -2.3 51 57 A G S S+ 0 0 6 -36,-0.4 10,-0.3 -38,-0.3 2,-0.3 0.766 84.7 155.0 67.9 26.4 31.4 0.0 -1.9 52 58 A E + 0 0 10 -37,-0.4 -42,-0.4 -3,-0.3 -1,-0.2 -0.611 20.8 148.1 -91.2 143.4 33.8 2.6 -0.5 53 59 A D S S+ 0 0 15 1,-0.4 2,-0.8 -2,-0.3 -1,-0.1 0.332 80.0 29.8-128.4 -80.2 36.8 2.2 1.7 54 60 A N S > S- 0 0 27 80,-0.2 3,-1.3 3,-0.2 -1,-0.4 -0.762 73.8-159.1 -83.3 112.9 39.5 4.8 0.9 55 61 A I T 3 S+ 0 0 23 78,-2.7 -1,-0.1 -2,-0.8 79,-0.1 0.513 86.3 53.7 -72.2 -2.3 37.3 7.7 -0.4 56 62 A N T 3 S+ 0 0 119 77,-0.2 2,-0.4 1,-0.1 -1,-0.2 0.328 104.5 57.3-111.0 4.0 40.3 9.3 -2.3 57 63 A V S < S- 0 0 77 -3,-1.3 2,-0.6 76,-0.1 -4,-0.2 -0.986 77.8-126.8-141.3 127.5 41.3 6.2 -4.4 58 64 A V + 0 0 118 -2,-0.4 -3,-0.1 1,-0.2 -6,-0.1 -0.617 35.0 170.6 -70.9 115.8 39.3 4.0 -6.8 59 65 A E - 0 0 96 -2,-0.6 -1,-0.2 -5,-0.1 -7,-0.0 0.595 52.1 -94.7-106.8 -13.5 39.9 0.5 -5.4 60 66 A G S S+ 0 0 58 -9,-0.0 -2,-0.1 0, 0.0 -8,-0.1 0.380 105.8 70.7 121.3 -8.2 37.5 -1.6 -7.4 61 67 A N + 0 0 62 -10,-0.3 -9,-0.1 38,-0.0 2,-0.1 0.320 66.3 125.1-122.3 9.5 34.3 -2.1 -5.6 62 68 A E - 0 0 36 -13,-0.0 2,-0.4 2,-0.0 -11,-0.2 -0.319 37.1-169.0 -73.4 150.3 32.8 1.4 -5.9 63 69 A Q E -N 50 0C 44 -13,-1.9 -13,-2.7 -2,-0.1 2,-0.7 -0.948 6.5-163.1-138.2 111.9 29.3 2.2 -7.3 64 70 A F E +N 49 0C 82 -2,-0.4 2,-0.4 -15,-0.2 -15,-0.2 -0.900 17.8 167.1-101.8 115.2 28.7 5.9 -7.9 65 71 A I E -N 48 0C 14 -17,-2.7 -17,-3.1 -2,-0.7 2,-0.1 -0.988 29.2-132.6-132.6 122.6 24.9 6.7 -8.3 66 72 A S E -N 47 0C 52 -2,-0.4 25,-2.8 -19,-0.3 26,-0.3 -0.391 30.1-108.4 -71.5 150.6 23.4 10.1 -8.3 67 73 A A E -O 90 0C 14 -21,-2.7 23,-0.3 23,-0.2 3,-0.1 -0.539 19.8-163.1 -78.6 144.1 20.3 10.7 -6.1 68 74 A S E S- 0 0 52 21,-3.0 2,-0.3 1,-0.4 22,-0.2 0.695 74.3 -3.0 -96.3 -27.8 16.9 11.1 -7.9 69 75 A K E -O 89 0C 85 20,-1.1 20,-2.4 -23,-0.0 2,-0.4 -0.985 56.2-146.3-162.9 153.5 15.2 12.6 -4.8 70 76 A S E -O 88 0C 43 -2,-0.3 2,-0.5 18,-0.2 18,-0.2 -0.970 10.3-165.8-123.8 137.8 15.7 13.5 -1.2 71 77 A I E -O 87 0C 36 16,-3.2 16,-2.8 -2,-0.4 2,-0.3 -0.894 4.5-162.6-129.6 101.4 13.0 13.3 1.4 72 78 A V E -O 86 0C 46 -2,-0.5 14,-0.2 14,-0.3 12,-0.1 -0.611 42.5 -88.5 -79.1 141.5 13.6 15.0 4.7 73 79 A H > - 0 0 22 12,-2.3 3,-1.9 -2,-0.3 -1,-0.1 -0.182 35.1-122.2 -50.4 137.9 11.3 13.9 7.5 74 80 A P T 3 S+ 0 0 101 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.797 109.9 41.7 -54.0 -31.4 8.1 16.0 7.6 75 81 A S T 3 S+ 0 0 75 8,-0.1 2,-0.2 2,-0.1 -2,-0.1 0.102 78.3 145.5-107.5 23.3 8.7 17.1 11.2 76 82 A Y < - 0 0 58 -3,-1.9 2,-0.6 9,-0.1 7,-0.2 -0.413 30.1-164.3 -64.6 126.8 12.5 17.7 11.1 77 83 A N B >>> -P 82 0D 64 5,-2.3 4,-2.9 -2,-0.2 5,-0.6 -0.930 7.7-167.6-114.8 106.6 13.4 20.7 13.3 78 84 A S T 345S+ 0 0 76 -2,-0.6 -1,-0.1 1,-0.2 -2,-0.0 0.700 86.2 58.2 -66.1 -19.5 16.9 21.9 12.5 79 85 A N T 345S+ 0 0 149 1,-0.1 -1,-0.2 3,-0.1 -2,-0.0 0.829 123.7 19.7 -78.7 -33.5 17.0 24.0 15.7 80 86 A T T <45S- 0 0 70 -3,-0.5 -2,-0.2 2,-0.1 -1,-0.1 0.552 96.7-130.7-109.7 -14.7 16.5 21.1 18.0 81 87 A L T ><5 + 0 0 36 -4,-2.9 3,-0.9 1,-0.3 2,-0.3 0.643 50.1 158.9 69.1 17.1 17.6 18.3 15.6 82 88 A N B 3 < +P 77 0D 38 -5,-0.6 -5,-2.3 1,-0.3 -1,-0.3 -0.558 67.5 15.4 -71.6 134.0 14.4 16.5 16.5 83 89 A N T 3 S+ 0 0 16 -2,-0.3 2,-2.0 -7,-0.2 -1,-0.3 0.893 79.8 178.3 68.1 42.0 13.5 14.0 13.7 84 90 A D < + 0 0 1 -3,-0.9 2,-0.3 75,-0.2 -1,-0.2 -0.540 36.8 110.3 -78.7 80.0 17.0 14.2 12.2 85 91 A I + 0 0 0 -2,-2.0 -12,-2.3 -47,-0.3 2,-0.3 -0.990 37.4 174.7-154.4 144.2 16.4 11.7 9.4 86 92 A M E -MO 37 72C 0 -49,-2.1 -49,-2.8 -2,-0.3 2,-0.4 -0.994 21.2-132.5-151.9 151.7 16.0 11.8 5.6 87 93 A L E -MO 36 71C 0 -16,-2.8 -16,-3.2 -2,-0.3 2,-0.4 -0.848 13.3-163.5-108.8 144.3 15.7 9.4 2.8 88 94 A I E -MO 35 70C 0 -53,-2.9 -53,-2.7 -2,-0.4 2,-0.4 -0.987 6.6-153.5-129.8 120.9 17.6 9.4 -0.5 89 95 A K E -MO 34 69C 38 -20,-2.4 -21,-3.0 -2,-0.4 -20,-1.1 -0.785 17.9-129.8 -95.2 136.6 16.5 7.5 -3.6 90 96 A L E - 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