==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=14-APR-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 26-NOV-09 3AAU . COMPND 2 MOLECULE: CATIONIC TRYPSIN; . SOURCE 2 ORGANISM_SCIENTIFIC: BOS TAURUS; . AUTHOR D.IYAGUCHI,S.KAWANO,E.TOYOTA . 223 1 6 6 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9241.0 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 . 69 30.9 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 . 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 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 1 A I 0 0 2 0, 0.0 2,-0.4 0, 0.0 3,-0.4 0.000 360.0 360.0 360.0 122.9 -8.1 8.5 18.8 2 2 A V B +A 171 0A 8 169,-2.8 169,-1.8 1,-0.2 123,-0.1 -0.864 360.0 3.9-104.0 133.6 -10.3 9.3 15.8 3 3 A G S S+ 0 0 46 121,-0.6 -1,-0.2 -2,-0.4 2,-0.1 0.749 103.2 116.4 68.8 25.4 -12.0 6.4 13.9 4 4 A G - 0 0 34 -3,-0.4 2,-0.3 167,-0.1 134,-0.2 -0.077 58.8-108.2-104.2-153.7 -10.8 3.8 16.3 5 5 A Y E -B 137 0B 97 132,-2.8 132,-3.5 -3,-0.1 2,-0.6 -0.927 34.4 -86.5-139.7 163.2 -12.5 1.3 18.7 6 6 A T E -B 136 0B 77 -2,-0.3 130,-0.2 130,-0.2 129,-0.1 -0.600 37.1-152.4 -71.9 117.1 -12.9 0.8 22.4 7 7 A a - 0 0 18 128,-1.7 -1,-0.2 -2,-0.6 129,-0.1 0.919 35.1-113.9 -56.0 -51.5 -9.8 -1.3 23.4 8 8 A G > - 0 0 24 127,-0.5 3,-1.8 -3,-0.1 4,-0.3 -0.046 46.5 -55.9 117.4 138.3 -11.4 -3.1 26.3 9 9 A A T 3 S- 0 0 56 1,-0.3 44,-0.1 2,-0.1 43,-0.0 -0.187 118.1 -13.0 -51.2 122.6 -10.5 -2.6 30.0 10 10 A N T 3 S+ 0 0 26 42,-0.4 -1,-0.3 2,-0.1 43,-0.1 0.705 91.2 127.6 58.1 28.3 -6.8 -3.3 30.6 11 11 A T S < S+ 0 0 86 -3,-1.8 -2,-0.1 1,-0.3 -1,-0.1 0.532 74.5 50.4 -87.6 -7.4 -6.1 -4.9 27.2 12 12 A V S > S+ 0 0 7 -4,-0.3 3,-2.1 87,-0.1 -1,-0.3 -0.660 73.8 175.8-127.6 70.3 -3.2 -2.5 26.7 13 13 A P T 3 S+ 0 0 32 0, 0.0 88,-1.0 0, 0.0 38,-0.3 0.604 74.1 55.7 -52.6 -21.6 -1.4 -3.1 30.0 14 14 A Y T 3 S+ 0 0 23 86,-0.2 15,-2.2 88,-0.1 2,-0.4 0.505 82.0 106.8 -92.7 -6.9 1.6 -0.9 29.1 15 15 A Q E < -J 28 0C 4 -3,-2.1 37,-0.4 13,-0.2 36,-0.4 -0.595 49.6-176.9 -76.1 126.1 -0.6 2.2 28.4 16 16 A V E -J 27 0C 1 11,-2.4 11,-1.2 -2,-0.4 2,-0.5 -0.854 21.6-136.6-122.1 159.8 -0.4 4.8 31.1 17 17 A S E -JK 26 49C 1 32,-2.2 32,-2.7 -2,-0.3 2,-0.6 -0.966 14.9-142.0-114.9 129.4 -2.1 8.2 31.7 18 18 A L E -JK 25 48C 0 7,-3.1 6,-2.2 -2,-0.5 7,-1.0 -0.837 25.1-166.1 -91.9 125.6 0.0 11.1 32.9 19 19 A N E +JK 23 47C 18 28,-2.9 28,-2.5 -2,-0.6 4,-0.2 -0.944 31.9 166.9-121.9 133.5 -2.0 13.1 35.4 20 20 A S S S- 0 0 32 2,-2.0 3,-0.1 -2,-0.4 26,-0.1 -0.304 97.3 -48.2-131.8 43.1 -1.4 16.6 36.8 21 21 A G S S+ 0 0 69 26,-0.1 2,-0.3 1,-0.0 -2,-0.1 0.202 139.5 30.0 105.6 -9.9 -4.9 17.0 38.3 22 22 A Y S S- 0 0 128 -4,-0.0 -2,-2.0 0, 0.0 2,-0.3 -0.944 101.9 -82.2-168.6 155.7 -6.4 15.8 35.0 23 23 A H E +J 19 0C 36 -2,-0.3 -4,-0.2 -4,-0.2 3,-0.1 -0.525 52.0 156.1 -68.2 131.2 -5.3 13.5 32.2 24 24 A F E + 0 0 33 -6,-2.2 2,-0.3 1,-0.4 151,-0.2 0.511 58.0 8.5-132.3 -13.1 -3.0 15.4 29.8 25 25 A b E -J 18 0C 6 -7,-1.0 -7,-3.1 151,-0.1 -1,-0.4 -0.990 61.6-120.4-164.3 160.4 -0.9 12.8 28.0 26 26 A G E +J 17 0C 0 151,-3.4 12,-0.4 -2,-0.3 2,-0.3 -0.459 28.6 179.5 -98.0 175.0 -0.3 9.1 27.4 27 27 A G E -J 16 0C 0 -11,-1.2 -11,-2.4 -2,-0.2 2,-0.4 -0.965 22.9-122.0-165.6 168.9 2.9 7.1 28.1 28 28 A S E -JL 15 36C 0 8,-2.4 8,-3.0 -2,-0.3 2,-0.5 -0.991 18.3-133.6-129.1 130.1 4.3 3.6 27.9 29 29 A L E + L 0 35C 0 -15,-2.2 74,-2.5 -2,-0.4 6,-0.2 -0.687 24.9 173.9 -80.9 122.9 5.6 1.6 30.8 30 30 A I E - 0 0 18 4,-2.3 2,-0.3 -2,-0.5 5,-0.2 0.520 67.8 -11.4-107.6 -8.3 9.0 -0.0 29.8 31 31 A N E > S- L 0 34C 44 3,-1.1 3,-0.7 70,-0.1 -1,-0.3 -0.939 88.9 -74.9-173.6 172.0 9.8 -1.5 33.2 32 32 A S T 3 S+ 0 0 39 -2,-0.3 62,-3.1 1,-0.2 60,-0.1 0.684 128.4 29.2 -54.9 -20.1 8.6 -1.4 36.9 33 33 A Q T 3 S+ 0 0 78 60,-0.2 57,-2.8 1,-0.1 2,-0.4 0.515 109.8 68.4-119.3 -6.8 10.1 2.0 37.4 34 34 A W E < -LM 31 89C 2 -3,-0.7 -4,-2.3 55,-0.2 -3,-1.1 -0.943 46.8-170.7-128.8 145.3 10.2 3.9 34.1 35 35 A V E -LM 29 88C 0 53,-2.5 53,-2.7 -2,-0.4 2,-0.5 -0.946 14.0-147.2-124.6 141.4 7.7 5.4 31.6 36 36 A V E +LM 28 87C 0 -8,-3.0 -8,-2.4 -2,-0.4 2,-0.2 -0.935 32.9 147.0-110.2 133.0 8.5 6.6 28.1 37 37 A S E - M 0 86C 0 49,-2.8 49,-2.4 -2,-0.5 2,-0.3 -0.736 49.9 -66.8-144.9-167.8 6.5 9.6 26.7 38 38 A A > - 0 0 0 -12,-0.4 3,-1.6 47,-0.3 47,-0.3 -0.706 32.5-134.0 -92.6 144.3 6.8 12.6 24.5 39 39 A A G > S+ 0 0 2 -2,-0.3 3,-2.0 1,-0.3 -1,-0.1 0.834 106.5 63.9 -63.9 -32.0 9.1 15.5 25.5 40 40 A H G 3 S+ 0 0 68 1,-0.3 -1,-0.3 41,-0.1 137,-0.0 0.543 93.1 64.5 -71.5 -1.6 6.4 17.9 24.5 41 41 A b G < S+ 0 0 4 -3,-1.6 -1,-0.3 -15,-0.0 -2,-0.2 0.388 77.5 132.7 -95.7 -0.6 4.3 16.4 27.3 42 42 A Y < + 0 0 134 -3,-2.0 2,-0.3 -4,-0.1 -3,-0.0 -0.222 19.4 134.5 -57.8 140.2 6.8 17.6 29.9 43 43 A K - 0 0 58 3,-0.0 3,-0.3 0, 0.0 2,-0.1 -0.904 49.9-101.3-175.7 156.1 5.6 19.4 33.0 44 44 A S S S+ 0 0 98 -2,-0.3 0, 0.0 1,-0.2 0, 0.0 -0.445 94.1 38.9 -86.2 163.1 6.2 19.2 36.8 45 45 A G S S+ 0 0 69 1,-0.2 2,-0.3 -2,-0.1 -1,-0.2 0.910 75.7 173.3 67.3 44.2 4.1 17.5 39.3 46 46 A I - 0 0 9 -3,-0.3 21,-2.7 21,-0.1 2,-0.5 -0.680 19.1-164.9 -89.0 137.0 3.3 14.4 37.2 47 47 A Q E -KN 19 66C 50 -28,-2.5 -28,-2.9 -2,-0.3 2,-0.5 -0.989 16.1-140.6-118.3 124.7 1.4 11.4 38.7 48 48 A V E -KN 18 65C 0 17,-2.9 17,-2.6 -2,-0.5 2,-0.6 -0.741 12.7-159.0 -88.7 129.3 1.6 8.3 36.6 49 49 A R E -KN 17 64C 52 -32,-2.7 -32,-2.2 -2,-0.5 3,-0.3 -0.928 12.9-178.2-114.4 112.4 -1.6 6.3 36.5 50 50 A L E + N 0 63C 2 13,-2.7 13,-1.8 -2,-0.6 -34,-0.1 -0.656 60.3 33.0-104.6 161.8 -1.3 2.6 35.5 51 51 A G S S+ 0 0 6 -36,-0.4 10,-0.3 -38,-0.3 2,-0.2 0.768 84.7 155.1 66.4 27.3 -4.0 -0.0 35.0 52 52 A E + 0 0 10 -37,-0.4 -42,-0.4 -3,-0.3 -1,-0.2 -0.604 22.3 148.3 -92.2 145.8 -6.5 2.6 33.8 53 53 A D S S+ 0 0 14 1,-0.4 2,-0.8 4,-0.3 -1,-0.1 0.285 81.4 31.2-129.4 -83.4 -9.5 2.2 31.5 54 54 A N S > S- 0 0 28 80,-0.2 3,-1.0 1,-0.2 -1,-0.4 -0.701 73.4-161.7 -79.5 114.3 -12.1 4.8 32.5 55 55 A I T 3 S+ 0 0 29 78,-2.4 -1,-0.2 -2,-0.8 79,-0.1 0.501 86.3 52.0 -77.0 -1.7 -9.9 7.6 33.7 56 56 A N T 3 S+ 0 0 122 77,-0.2 2,-0.4 1,-0.1 -1,-0.2 0.362 105.5 59.2-112.2 2.6 -12.7 9.2 35.6 57 57 A V S < S- 0 0 77 -3,-1.0 2,-0.8 76,-0.2 -4,-0.3 -0.996 77.8-129.5-135.8 130.6 -13.8 6.2 37.6 58 58 A V + 0 0 119 -2,-0.4 -3,-0.1 1,-0.2 -6,-0.0 -0.689 33.5 171.3 -77.4 114.4 -11.9 4.1 40.0 59 59 A E - 0 0 98 -2,-0.8 -1,-0.2 -5,-0.2 -7,-0.0 0.580 51.2 -96.9-104.2 -12.2 -12.5 0.6 38.7 60 60 A G S S+ 0 0 60 -9,-0.0 -2,-0.1 0, 0.0 -8,-0.1 0.330 104.5 72.5 119.7 -11.6 -10.1 -1.5 40.8 61 61 A N + 0 0 64 -10,-0.3 -9,-0.1 38,-0.0 -3,-0.0 0.324 66.9 122.6-118.0 7.6 -6.9 -2.2 38.9 62 62 A E - 0 0 32 -13,-0.0 2,-0.4 2,-0.0 -11,-0.2 -0.285 39.6-166.8 -72.9 154.2 -5.3 1.3 39.1 63 63 A Q E -N 50 0C 36 -13,-1.8 -13,-2.7 2,-0.1 2,-0.7 -0.937 6.6-162.6-140.3 111.2 -1.9 2.1 40.5 64 64 A F E +N 49 0C 80 -2,-0.4 2,-0.4 -15,-0.2 -15,-0.2 -0.891 17.3 169.6-100.5 116.1 -1.2 5.8 41.1 65 65 A I E -N 48 0C 12 -17,-2.6 -17,-2.9 -2,-0.7 2,-0.1 -0.989 29.3-128.7-132.0 124.7 2.5 6.6 41.5 66 66 A S E -N 47 0C 51 -2,-0.4 25,-3.0 -19,-0.3 26,-0.3 -0.365 27.8-114.3 -68.5 147.9 4.1 10.0 41.6 67 67 A A E -O 90 0C 19 -21,-2.7 23,-0.3 23,-0.2 3,-0.1 -0.647 22.9-169.1 -83.5 139.5 7.0 10.7 39.3 68 68 A S E S+ 0 0 64 21,-2.7 2,-0.3 1,-0.3 22,-0.2 0.708 71.1 8.1 -98.2 -25.9 10.3 11.4 41.0 69 69 A K E -O 89 0C 88 20,-1.2 20,-2.9 2,-0.0 2,-0.4 -0.985 56.8-156.8-158.2 143.0 12.2 12.6 38.0 70 70 A S E -O 88 0C 41 -2,-0.3 2,-0.5 18,-0.2 18,-0.2 -0.959 7.9-164.9-121.2 140.4 11.7 13.5 34.4 71 71 A I E -O 87 0C 34 16,-3.1 16,-2.8 -2,-0.4 2,-0.2 -0.913 4.9-160.1-130.8 104.9 14.4 13.4 31.7 72 72 A V E -O 86 0C 49 -2,-0.5 14,-0.2 14,-0.2 12,-0.1 -0.595 42.1 -87.8 -80.0 143.2 13.7 15.2 28.4 73 73 A H > - 0 0 23 12,-2.1 3,-1.8 10,-0.3 -1,-0.1 -0.210 35.0-122.4 -52.5 137.5 15.9 14.1 25.6 74 74 A P T 3 S+ 0 0 100 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.738 110.0 39.3 -54.9 -24.4 19.2 16.0 25.5 75 75 A S T 3 S+ 0 0 73 8,-0.1 -2,-0.1 2,-0.0 7,-0.1 0.191 79.1 144.5-114.3 17.7 18.5 17.2 21.9 76 76 A Y < - 0 0 57 -3,-1.8 2,-0.6 9,-0.1 7,-0.2 -0.335 30.7-163.6 -59.5 130.5 14.8 17.8 22.1 77 77 A N > - 0 0 66 5,-2.1 4,-2.3 1,-0.1 5,-0.5 -0.963 6.9-163.8-119.0 111.0 13.7 20.8 19.9 78 78 A S T 4 S+ 0 0 79 -2,-0.6 -1,-0.1 1,-0.2 -2,-0.0 0.683 86.8 55.5 -69.4 -18.2 10.2 22.1 20.8 79 79 A N T 4 S+ 0 0 152 1,-0.1 -1,-0.2 3,-0.1 -2,-0.0 0.911 124.2 21.2 -80.4 -42.9 9.9 24.1 17.6 80 80 A T T 4 S- 0 0 72 2,-0.1 -2,-0.2 -3,-0.0 -1,-0.1 0.600 96.7-133.2 -97.7 -15.6 10.5 21.2 15.2 81 81 A L >< + 0 0 31 -4,-2.3 3,-0.9 1,-0.3 2,-0.2 0.650 47.5 159.8 68.2 18.0 9.6 18.5 17.6 82 82 A N T 3 + 0 0 36 -5,-0.5 -5,-2.1 1,-0.3 -1,-0.3 -0.536 67.2 17.3 -70.6 136.6 12.8 16.6 16.6 83 83 A N T 3 S+ 0 0 16 -2,-0.2 2,-2.2 -7,-0.2 -10,-0.3 0.892 79.9 178.4 67.3 43.0 13.7 14.1 19.4 84 84 A D < + 0 0 1 -3,-0.9 2,-0.3 75,-0.2 123,-0.2 -0.476 35.3 113.0 -79.4 74.5 10.3 14.3 20.9 85 85 A I + 0 0 0 -2,-2.2 -12,-2.1 -47,-0.3 2,-0.3 -0.997 37.6 178.9-146.9 146.0 10.9 11.7 23.7 86 86 A M E -MO 37 72C 0 -49,-2.4 -49,-2.8 -2,-0.3 2,-0.4 -0.997 18.7-139.0-149.3 144.6 11.1 11.9 27.5 87 87 A L E -MO 36 71C 0 -16,-2.8 -16,-3.1 -2,-0.3 2,-0.4 -0.862 14.1-165.3-106.6 141.0 11.7 9.4 30.3 88 88 A I E -MO 35 70C 0 -53,-2.7 -53,-2.5 -2,-0.4 2,-0.4 -0.992 6.8-152.6-127.2 125.3 9.8 9.5 33.6 89 89 A K E -MO 34 69C 41 -20,-2.9 -21,-2.7 -2,-0.4 -20,-1.2 -0.822 16.5-129.5-100.1 137.7 10.9 7.6 36.7 90 90 A L E - 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