==== 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 3AAS . COMPND 2 MOLECULE: CATIONIC TRYPSIN; . SOURCE 2 ORGANISM_SCIENTIFIC: BOS TAURUS; . AUTHOR D.IYAGUCHI,S.KAWANO,E.TOYOTA . 224 2 6 6 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9265.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 132 58.9 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 30.8 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 . 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 . 16 7.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 19 8.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 13 5.8 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 1 0 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 3 0, 0.0 2,-0.5 0, 0.0 3,-0.4 0.000 360.0 360.0 360.0 119.4 -8.6 7.3 18.9 2 2 A V B +A 171 0A 10 169,-3.0 169,-2.0 1,-0.2 123,-0.1 -0.854 360.0 4.8-101.1 130.4 -10.8 7.9 15.9 3 3 A G S S+ 0 0 46 121,-0.5 -1,-0.2 -2,-0.5 2,-0.1 0.736 102.9 120.3 73.1 24.4 -12.6 4.9 14.3 4 4 A G - 0 0 36 -3,-0.4 2,-0.3 167,-0.1 134,-0.2 -0.055 56.1-112.1-101.3-156.4 -11.5 2.5 16.9 5 5 A Y E -B 137 0B 94 132,-2.4 132,-3.3 -3,-0.1 2,-0.6 -0.925 34.7 -87.1-139.6 162.4 -13.2 0.1 19.4 6 6 A T E -B 136 0B 75 -2,-0.3 130,-0.2 130,-0.2 129,-0.1 -0.614 37.7-148.8 -72.3 117.7 -13.5 -0.2 23.1 7 7 A a - 0 0 18 128,-1.7 -1,-0.2 -2,-0.6 129,-0.1 0.883 35.9-110.9 -54.4 -47.5 -10.5 -2.2 24.2 8 8 A G > - 0 0 28 127,-0.4 3,-2.1 -3,-0.1 4,-0.3 0.106 49.4 -58.3 113.6 130.9 -12.1 -4.0 27.1 9 9 A A T 3 S- 0 0 57 1,-0.3 44,-0.1 2,-0.1 43,-0.0 -0.092 117.4 -13.3 -45.4 122.2 -11.2 -3.3 30.7 10 10 A N T 3 S+ 0 0 28 42,-0.3 -1,-0.3 2,-0.1 43,-0.1 0.641 90.4 128.2 59.0 21.7 -7.5 -3.9 31.4 11 11 A T S < S+ 0 0 84 -3,-2.1 -2,-0.1 1,-0.3 -1,-0.1 0.562 76.3 50.1 -80.6 -7.8 -6.8 -5.8 28.1 12 12 A V S > S+ 0 0 7 -4,-0.3 3,-2.1 87,-0.1 -1,-0.3 -0.643 73.6 173.0-127.3 69.1 -3.9 -3.4 27.5 13 13 A P T 3 S+ 0 0 32 0, 0.0 88,-1.2 0, 0.0 38,-0.3 0.603 73.1 57.1 -54.9 -18.9 -2.2 -3.8 30.9 14 14 A Y T 3 S+ 0 0 22 86,-0.2 15,-2.4 88,-0.1 2,-0.4 0.518 81.0 107.4 -93.1 -7.4 0.8 -1.7 29.9 15 15 A Q E < -J 28 0C 4 -3,-2.1 37,-0.4 13,-0.2 36,-0.4 -0.575 49.9-174.0 -74.9 126.4 -1.2 1.4 29.0 16 16 A V E -J 27 0C 1 11,-2.5 11,-1.1 -2,-0.4 2,-0.5 -0.834 19.6-137.4-119.8 159.3 -0.9 4.2 31.5 17 17 A S E -JK 26 49C 0 32,-2.1 32,-2.7 -2,-0.3 2,-0.6 -0.966 14.2-142.6-114.7 130.1 -2.6 7.6 31.9 18 18 A L E -JK 25 48C 0 7,-3.1 6,-2.4 -2,-0.5 7,-1.0 -0.852 24.9-167.4 -93.7 124.0 -0.5 10.6 32.8 19 19 A N E +JK 23 47C 19 28,-2.8 28,-2.4 -2,-0.6 4,-0.2 -0.945 30.9 166.1-121.0 133.0 -2.5 12.8 35.1 20 20 A S S S- 0 0 30 2,-2.1 3,-0.1 -2,-0.4 26,-0.1 -0.258 97.1 -46.6-132.5 42.7 -1.9 16.4 36.3 21 21 A G S S+ 0 0 66 26,-0.1 2,-0.3 1,-0.1 -2,-0.1 0.186 140.2 27.4 108.6 -10.2 -5.3 17.0 37.7 22 22 A Y S S- 0 0 133 -4,-0.0 -2,-2.1 0, 0.0 2,-0.3 -0.939 103.1 -80.1-168.9 158.3 -6.8 15.5 34.6 23 23 A H E +J 19 0C 37 -2,-0.3 -4,-0.2 -4,-0.2 3,-0.1 -0.546 52.8 157.6 -69.0 130.6 -5.7 13.0 31.9 24 24 A F E + 0 0 31 -6,-2.4 2,-0.3 1,-0.4 151,-0.2 0.536 57.6 6.0-130.7 -15.1 -3.4 14.7 29.5 25 25 A b E -J 18 0C 7 -7,-1.0 -7,-3.1 151,-0.1 -1,-0.4 -0.990 61.7-120.7-163.3 163.0 -1.3 12.0 27.8 26 26 A G E +J 17 0C 1 151,-3.4 12,-0.4 -2,-0.3 2,-0.3 -0.462 28.0 176.6-101.1 177.3 -0.8 8.3 27.5 27 27 A G E -J 16 0C 0 -11,-1.1 -11,-2.5 -2,-0.2 2,-0.4 -0.966 24.5-116.9-169.3 171.1 2.3 6.2 28.3 28 28 A S E -JL 15 36C 0 8,-2.4 8,-3.0 -2,-0.3 2,-0.6 -0.986 18.1-133.5-128.6 130.8 3.6 2.7 28.4 29 29 A L E + L 0 35C 0 -15,-2.4 74,-2.4 -2,-0.4 6,-0.2 -0.708 25.3 173.8 -82.0 117.0 4.9 0.7 31.4 30 30 A I E - 0 0 17 4,-2.0 2,-0.3 -2,-0.6 75,-0.2 0.557 68.7 -13.1-100.3 -10.7 8.2 -1.0 30.5 31 31 A N E > S- L 0 34C 42 3,-1.1 3,-0.9 70,-0.1 -1,-0.3 -0.938 89.0 -74.9-173.6 171.2 9.0 -2.3 34.0 32 32 A S T 3 S+ 0 0 35 -2,-0.3 62,-3.1 1,-0.2 60,-0.1 0.652 128.2 29.9 -56.0 -17.1 7.8 -1.8 37.5 33 33 A Q T 3 S+ 0 0 79 60,-0.2 57,-2.5 1,-0.1 2,-0.4 0.482 109.7 68.9-121.9 -3.7 9.5 1.6 37.9 34 34 A W E < -LM 31 89C 8 -3,-0.9 -4,-2.0 55,-0.2 -3,-1.1 -0.951 48.1-169.7-130.0 144.3 9.6 3.1 34.4 35 35 A V E -LM 29 88C 0 53,-2.5 53,-2.5 -2,-0.4 2,-0.5 -0.957 13.5-146.7-125.4 139.8 7.2 4.6 31.9 36 36 A V E +LM 28 87C 0 -8,-3.0 -8,-2.4 -2,-0.4 2,-0.2 -0.926 33.7 146.9-108.0 127.6 7.8 5.5 28.3 37 37 A S E - M 0 86C 0 49,-2.8 49,-2.5 -2,-0.5 2,-0.3 -0.719 49.8 -68.3-140.7-168.9 5.9 8.5 26.8 38 38 A A > - 0 0 0 -12,-0.4 3,-1.6 47,-0.3 47,-0.3 -0.697 31.4-134.4 -91.3 142.9 6.3 11.3 24.3 39 39 A A G > S+ 0 0 3 -2,-0.3 3,-1.8 1,-0.3 -1,-0.1 0.852 106.9 61.3 -62.8 -33.3 8.7 14.2 25.0 40 40 A H G 3 S+ 0 0 43 1,-0.3 -1,-0.3 41,-0.1 137,-0.0 0.567 93.7 65.4 -72.9 -2.9 6.1 16.7 24.0 41 41 A b G < S+ 0 0 5 -3,-1.6 -1,-0.3 -15,-0.0 -2,-0.2 0.399 77.8 132.1 -92.8 -0.9 3.9 15.4 26.8 42 42 A Y < + 0 0 128 -3,-1.8 2,-0.3 -4,-0.1 -3,-0.0 -0.187 19.2 131.9 -56.5 144.1 6.4 16.7 29.3 43 43 A K - 0 0 55 3,-0.0 3,-0.3 0, 0.0 2,-0.1 -0.896 50.8 -99.4 179.8 158.7 5.3 18.7 32.3 44 44 A S S S+ 0 0 97 -2,-0.3 0, 0.0 1,-0.2 0, 0.0 -0.437 93.9 41.3 -88.1 167.1 5.9 18.8 36.0 45 45 A G S S+ 0 0 68 1,-0.2 2,-0.4 -2,-0.1 -1,-0.2 0.867 75.0 170.6 67.2 39.5 3.6 17.4 38.7 46 46 A I - 0 0 7 -3,-0.3 21,-2.6 21,-0.1 2,-0.5 -0.663 19.9-166.3 -87.8 135.3 2.8 14.2 36.8 47 47 A Q E -KN 19 66C 50 -28,-2.4 -28,-2.8 -2,-0.4 2,-0.5 -0.986 16.7-140.0-117.8 125.9 1.0 11.3 38.5 48 48 A V E -KN 18 65C 0 17,-2.9 17,-2.8 -2,-0.5 2,-0.6 -0.755 12.9-158.7 -89.5 129.2 1.1 8.0 36.7 49 49 A R E -KN 17 64C 51 -32,-2.7 -32,-2.1 -2,-0.5 3,-0.3 -0.930 13.0-177.8-113.7 113.9 -2.2 6.0 36.7 50 50 A L E + N 0 63C 2 13,-2.9 13,-1.8 -2,-0.6 -34,-0.1 -0.673 60.3 32.7-106.6 161.7 -2.0 2.3 36.0 51 51 A G S S+ 0 0 6 -36,-0.4 10,-0.3 -38,-0.3 2,-0.2 0.749 85.5 153.8 66.5 25.8 -4.7 -0.3 35.8 52 52 A E + 0 0 10 -37,-0.4 -42,-0.3 -3,-0.3 -1,-0.2 -0.581 23.1 149.9 -91.2 147.0 -7.1 2.2 34.3 53 53 A D S S+ 0 0 16 1,-0.3 2,-0.9 4,-0.3 -1,-0.2 0.324 81.2 31.6-130.2 -77.4 -10.1 1.7 32.1 54 54 A N S > S- 0 0 26 80,-0.2 3,-1.3 3,-0.2 -1,-0.3 -0.763 72.5-161.7 -86.4 111.4 -12.6 4.5 32.9 55 55 A I T 3 S+ 0 0 27 78,-2.6 -1,-0.1 -2,-0.9 79,-0.1 0.535 86.4 53.3 -72.0 -4.7 -10.4 7.4 33.9 56 56 A N T 3 S+ 0 0 125 77,-0.2 2,-0.4 1,-0.1 -1,-0.2 0.347 104.7 59.9-108.8 2.5 -13.2 9.2 35.6 57 57 A V S < S- 0 0 75 -3,-1.3 2,-0.9 76,-0.2 -4,-0.3 -0.995 76.6-132.1-135.6 129.7 -14.3 6.3 37.8 58 58 A V + 0 0 115 -2,-0.4 -3,-0.1 1,-0.2 -6,-0.0 -0.718 31.8 173.0 -79.5 109.6 -12.3 4.4 40.5 59 59 A E - 0 0 98 -2,-0.9 -1,-0.2 -5,-0.2 -7,-0.0 0.491 50.3-101.5 -99.5 -5.6 -13.1 0.8 39.5 60 60 A G S S+ 0 0 61 -9,-0.0 -2,-0.1 0, 0.0 -8,-0.1 0.318 103.2 77.3 108.5 -9.7 -10.8 -1.0 41.9 61 61 A N + 0 0 62 -10,-0.3 2,-0.1 38,-0.0 -9,-0.1 0.295 67.2 117.4-115.7 9.3 -7.7 -2.1 39.8 62 62 A E - 0 0 34 -13,-0.0 2,-0.4 2,-0.0 -11,-0.2 -0.328 43.2-164.2 -79.5 158.8 -5.9 1.2 39.7 63 63 A Q E -N 50 0C 39 -13,-1.8 -13,-2.9 -2,-0.1 2,-0.6 -0.958 7.1-161.4-140.8 115.3 -2.5 2.2 41.0 64 64 A F E +N 49 0C 83 -2,-0.4 2,-0.4 -15,-0.2 -15,-0.2 -0.919 17.4 170.4-103.3 118.5 -1.8 5.9 41.3 65 65 A I E -N 48 0C 13 -17,-2.8 -17,-2.9 -2,-0.6 -2,-0.1 -0.983 28.5-129.7-133.2 123.4 2.0 6.6 41.6 66 66 A S E -N 47 0C 52 -2,-0.4 25,-2.8 -19,-0.3 26,-0.3 -0.343 28.9-111.2 -67.8 149.6 3.6 10.0 41.4 67 67 A A E -O 90 0C 19 -21,-2.6 23,-0.3 23,-0.2 3,-0.1 -0.633 25.0-170.1 -80.8 138.6 6.5 10.5 39.1 68 68 A S E S+ 0 0 63 21,-2.9 2,-0.3 1,-0.3 22,-0.2 0.729 72.1 11.4 -98.5 -29.4 9.8 11.1 40.9 69 69 A K E -O 89 0C 92 20,-1.3 20,-3.0 2,-0.0 2,-0.4 -0.991 58.1-158.4-153.1 140.5 11.8 12.0 37.8 70 70 A S E -O 88 0C 44 -2,-0.3 2,-0.5 18,-0.2 18,-0.2 -0.958 8.6-168.9-118.3 136.4 11.2 12.9 34.1 71 71 A I E -O 87 0C 34 16,-3.1 16,-2.7 -2,-0.4 2,-0.2 -0.898 4.3-162.3-131.3 103.7 13.9 12.5 31.5 72 72 A V E -O 86 0C 47 -2,-0.5 14,-0.2 14,-0.2 12,-0.1 -0.597 42.9 -88.7 -80.2 143.6 13.2 14.0 28.0 73 73 A H > - 0 0 24 12,-2.1 3,-1.8 10,-0.3 -1,-0.1 -0.223 34.7-123.6 -53.0 138.9 15.5 12.7 25.3 74 74 A P T 3 S+ 0 0 100 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.817 110.0 40.2 -54.8 -34.3 18.8 14.7 25.1 75 75 A S T 3 S+ 0 0 74 8,-0.1 2,-0.1 2,-0.1 -2,-0.1 0.185 79.6 143.7-103.1 16.2 18.2 15.5 21.4 76 76 A Y < - 0 0 55 -3,-1.8 2,-0.6 9,-0.1 7,-0.2 -0.360 31.6-164.4 -58.4 127.5 14.4 16.1 21.5 77 77 A N B >> -P 82 0D 63 5,-2.2 4,-2.5 1,-0.1 5,-0.6 -0.940 10.0-167.5-118.2 107.2 13.6 18.9 19.1 78 78 A S T 45S+ 0 0 74 -2,-0.6 -1,-0.1 1,-0.2 -2,-0.0 0.705 85.7 61.2 -67.6 -17.9 10.1 20.3 19.8 79 79 A N T 45S+ 0 0 147 1,-0.1 -1,-0.2 3,-0.1 -3,-0.0 0.924 123.6 17.0 -73.9 -43.3 10.1 22.1 16.5 80 80 A T T 45S- 0 0 71 -3,-0.3 -2,-0.2 2,-0.1 -1,-0.1 0.536 97.0-130.5-103.2 -13.0 10.5 19.0 14.3 81 81 A L T ><5 + 0 0 34 -4,-2.5 3,-0.9 1,-0.3 2,-0.2 0.666 51.0 158.0 67.1 18.2 9.4 16.5 17.0 82 82 A N B 3 < +P 77 0D 34 -5,-0.6 -5,-2.2 1,-0.3 -1,-0.3 -0.553 66.1 18.0 -72.6 137.6 12.5 14.5 16.2 83 83 A N T 3 S+ 0 0 19 -2,-0.2 2,-2.0 -7,-0.2 -10,-0.3 0.894 79.6 176.8 67.0 42.8 13.4 12.2 19.1 84 84 A D < + 0 0 1 -3,-0.9 2,-0.3 75,-0.2 123,-0.2 -0.508 34.2 114.2 -81.0 75.2 9.9 12.6 20.7 85 85 A I - 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