==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-JAN-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 05-OCT-09 3A85 . COMPND 2 MOLECULE: CATIONIC TRYPSIN; . SOURCE 2 ORGANISM_SCIENTIFIC: BOS TAURUS; . AUTHOR J.YAMANE,M.YAO,I.TANAKA . 223 1 6 6 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9165.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 135 60.5 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 . 70 31.4 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 7.2 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 . 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 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 19 A I 0 0 2 0, 0.0 2,-0.5 0, 0.0 3,-0.3 0.000 360.0 360.0 360.0 124.3 -8.3 -7.5 14.2 2 20 A V B +A 171 0A 8 169,-3.0 169,-2.0 1,-0.2 123,-0.1 -0.864 360.0 3.7-102.6 129.9 -10.5 -8.2 17.3 3 21 A G S S+ 0 0 44 121,-0.6 -1,-0.2 -2,-0.5 169,-0.1 0.718 103.5 118.0 73.2 22.1 -12.2 -5.3 19.0 4 22 A G - 0 0 37 -3,-0.3 2,-0.3 167,-0.1 134,-0.2 0.026 57.1-109.5 -99.9-153.7 -11.1 -2.7 16.5 5 23 A Y E -B 137 0B 99 132,-2.5 132,-3.1 -3,-0.1 2,-0.5 -0.928 33.9 -87.3-142.5 159.8 -12.8 -0.3 14.0 6 24 A T E -B 136 0B 73 -2,-0.3 130,-0.2 130,-0.2 129,-0.1 -0.627 37.5-149.5 -70.4 120.8 -13.3 0.1 10.3 7 25 A a - 0 0 18 128,-1.9 -1,-0.2 -2,-0.5 129,-0.1 0.902 35.2-111.3 -59.1 -45.5 -10.2 2.1 9.2 8 26 A G > - 0 0 27 127,-0.4 3,-2.0 -3,-0.1 4,-0.3 0.056 48.9 -59.5 106.9 131.9 -11.8 4.0 6.3 9 27 A A T 3 S- 0 0 56 1,-0.3 44,-0.1 2,-0.1 43,-0.0 -0.165 117.1 -11.8 -50.3 123.2 -10.9 3.4 2.6 10 28 A N T 3 S+ 0 0 28 42,-0.4 -1,-0.3 2,-0.2 43,-0.1 0.589 91.5 125.4 62.2 18.2 -7.3 4.0 1.9 11 29 A T S < S+ 0 0 85 -3,-2.0 -2,-0.1 1,-0.3 -1,-0.1 0.567 77.1 49.6 -77.9 -11.3 -6.6 5.8 5.2 12 30 A V S > S+ 0 0 7 -4,-0.3 3,-1.9 87,-0.1 -1,-0.3 -0.676 74.0 170.8-121.4 71.8 -3.7 3.2 5.8 13 31 A P T 3 S+ 0 0 31 0, 0.0 88,-1.6 0, 0.0 38,-0.3 0.601 71.4 56.9 -69.9 -10.6 -2.1 3.7 2.4 14 32 A Y T 3 S+ 0 0 20 86,-0.2 15,-2.4 88,-0.1 2,-0.4 0.509 82.0 108.5 -90.5 -10.3 1.0 1.6 3.2 15 33 A Q E < -J 28 0C 5 -3,-1.9 36,-0.4 13,-0.2 37,-0.4 -0.553 49.7-174.4 -70.5 127.0 -1.1 -1.5 4.2 16 34 A V E -J 27 0C 1 11,-2.7 11,-1.1 -2,-0.4 2,-0.5 -0.861 20.4-137.8-117.4 158.3 -0.8 -4.3 1.7 17 35 A S E -JK 26 49C 1 32,-2.2 32,-2.8 -2,-0.3 2,-0.5 -0.957 14.6-143.7-106.4 130.9 -2.5 -7.7 1.2 18 36 A L E -JK 25 48C 0 7,-3.0 6,-2.4 -2,-0.5 7,-1.0 -0.863 23.7-166.7 -91.3 127.2 -0.4 -10.7 0.3 19 37 A N E +JK 23 47C 19 28,-2.8 28,-2.4 -2,-0.5 4,-0.2 -0.951 30.1 168.1-124.4 130.9 -2.4 -12.9 -2.1 20 38 A S S S- 0 0 29 2,-2.4 3,-0.1 -2,-0.4 26,-0.1 -0.302 96.5 -48.7-130.1 47.3 -1.8 -16.5 -3.2 21 39 A G S S+ 0 0 69 26,-0.1 2,-0.3 1,-0.1 -2,-0.1 0.215 140.8 30.6 99.1 -9.6 -5.2 -17.1 -4.8 22 40 A Y S S- 0 0 133 -4,-0.0 -2,-2.4 0, 0.0 2,-0.3 -0.934 102.9 -83.0-167.1 154.1 -6.7 -15.7 -1.5 23 41 A H E +J 19 0C 35 -2,-0.3 -4,-0.2 -4,-0.2 3,-0.1 -0.552 52.3 157.2 -64.5 133.5 -5.6 -13.1 1.1 24 42 A F E + 0 0 33 -6,-2.4 2,-0.3 1,-0.4 151,-0.3 0.526 57.1 5.9-134.7 -13.7 -3.2 -14.8 3.6 25 43 A b E -J 18 0C 6 -7,-1.0 -7,-3.0 151,-0.1 -1,-0.4 -0.982 61.3-122.3-162.3 158.7 -1.1 -12.1 5.3 26 44 A G E +J 17 0C 1 151,-3.2 12,-0.4 -2,-0.3 2,-0.3 -0.446 26.8 177.8 -93.7 179.3 -0.6 -8.3 5.6 27 45 A G E -J 16 0C 0 -11,-1.1 -11,-2.7 -2,-0.2 2,-0.4 -0.955 24.5-117.0-168.3 174.1 2.5 -6.3 4.8 28 46 A S E -JL 15 36C 0 8,-2.5 8,-2.6 -2,-0.3 2,-0.5 -0.990 19.7-130.0-129.8 130.1 3.8 -2.7 4.7 29 47 A L E + L 0 35C 1 -15,-2.4 74,-2.4 -2,-0.4 6,-0.2 -0.675 27.0 174.5 -78.9 120.3 5.0 -0.8 1.7 30 48 A I E - 0 0 18 4,-2.4 2,-0.3 -2,-0.5 75,-0.2 0.609 67.8 -13.0-104.4 -16.5 8.4 0.8 2.6 31 49 A N E > S- L 0 34C 47 3,-1.1 3,-0.8 70,-0.1 -1,-0.3 -0.922 90.2 -74.9-162.8-177.6 9.2 2.3 -0.8 32 50 A S T 3 S+ 0 0 37 -2,-0.3 62,-3.1 1,-0.2 60,-0.1 0.683 128.6 31.3 -60.6 -16.0 7.9 1.9 -4.4 33 51 A Q T 3 S+ 0 0 78 60,-0.2 57,-2.7 1,-0.1 2,-0.4 0.479 109.1 65.1-120.0 -5.3 9.6 -1.6 -4.8 34 52 A W E < -LM 31 89C 6 -3,-0.8 -4,-2.4 55,-0.2 -3,-1.1 -0.975 47.8-168.0-136.3 140.2 9.7 -3.3 -1.4 35 53 A V E -LM 29 88C 0 53,-2.5 53,-2.6 -2,-0.4 2,-0.5 -0.961 14.7-145.0-121.9 138.2 7.3 -4.6 1.2 36 54 A V E +LM 28 87C 0 -8,-2.6 -8,-2.5 -2,-0.4 2,-0.2 -0.901 34.9 148.9 -99.3 129.6 8.1 -5.7 4.8 37 55 A S E - M 0 86C 0 49,-2.7 49,-2.2 -2,-0.5 2,-0.3 -0.732 49.7 -71.6-139.7-167.9 6.1 -8.7 6.2 38 56 A A > - 0 0 0 -12,-0.4 3,-1.6 47,-0.3 47,-0.3 -0.709 31.0-133.2 -92.6 141.8 6.6 -11.5 8.6 39 57 A A G > S+ 0 0 3 -2,-0.3 3,-2.2 1,-0.3 -1,-0.1 0.841 107.9 65.7 -59.5 -33.3 8.9 -14.4 7.7 40 58 A H G 3 S+ 0 0 65 1,-0.3 -1,-0.3 41,-0.1 137,-0.0 0.634 93.3 62.4 -66.9 -8.3 6.2 -16.8 8.9 41 59 A b G < S+ 0 0 3 -3,-1.6 -1,-0.3 -15,-0.1 -2,-0.2 0.410 77.9 131.5 -88.1 -3.8 4.1 -15.4 5.9 42 60 A Y < + 0 0 127 -3,-2.2 2,-0.3 -4,-0.1 -3,-0.0 -0.261 21.3 136.5 -56.1 133.0 6.7 -16.7 3.4 43 61 A K - 0 0 54 0, 0.0 3,-0.3 0, 0.0 2,-0.1 -0.932 51.3-101.4-161.2 163.4 5.4 -18.7 0.5 44 62 A S S S+ 0 0 96 -2,-0.3 25,-0.0 1,-0.2 0, 0.0 -0.464 97.0 37.3 -79.6 158.4 6.1 -18.9 -3.3 45 63 A G S S+ 0 0 69 1,-0.2 2,-0.4 -2,-0.1 -1,-0.2 0.853 75.1 172.2 72.8 38.3 3.7 -17.2 -5.8 46 64 A I - 0 0 7 -3,-0.3 21,-2.6 -26,-0.1 2,-0.5 -0.651 18.5-164.3 -82.3 133.8 2.9 -14.1 -3.8 47 65 A Q E -KN 19 66C 49 -28,-2.4 -28,-2.8 -2,-0.4 2,-0.5 -0.984 15.2-142.0-110.4 127.6 1.0 -11.3 -5.4 48 66 A V E -KN 18 65C 0 17,-2.9 17,-3.0 -2,-0.5 2,-0.6 -0.768 12.1-158.4 -90.3 129.6 1.1 -8.0 -3.5 49 67 A R E -KN 17 64C 50 -32,-2.8 -32,-2.2 -2,-0.5 3,-0.3 -0.947 12.8-177.1-115.3 116.7 -2.1 -6.0 -3.5 50 68 A L E + N 0 63C 3 13,-3.0 13,-2.0 -2,-0.6 -34,-0.1 -0.706 60.7 31.1-107.8 157.8 -1.9 -2.3 -2.9 51 69 A G S S+ 0 0 6 -36,-0.4 10,-0.3 -38,-0.3 2,-0.2 0.693 84.2 155.9 71.5 19.5 -4.6 0.4 -2.5 52 70 A E + 0 0 10 -37,-0.4 -42,-0.4 -3,-0.3 -1,-0.2 -0.548 21.5 150.8 -81.7 139.7 -7.0 -2.2 -1.1 53 71 A D S S+ 0 0 13 1,-0.4 2,-0.8 4,-0.3 -1,-0.2 0.387 80.5 32.1-118.0 -75.2 -10.0 -1.6 1.1 54 72 A N S > S- 0 0 24 80,-0.2 3,-1.2 3,-0.2 -1,-0.4 -0.728 73.8-160.6 -78.5 111.8 -12.6 -4.3 0.4 55 73 A I T 3 S+ 0 0 29 78,-2.6 -1,-0.2 -2,-0.8 79,-0.1 0.656 87.4 52.4 -71.6 -12.2 -10.3 -7.3 -0.5 56 74 A N T 3 S+ 0 0 142 77,-0.2 2,-0.4 1,-0.1 -1,-0.2 0.425 105.9 57.2 -99.8 -0.9 -13.1 -9.1 -2.2 57 75 A V S < S- 0 0 75 -3,-1.2 2,-0.8 76,-0.2 -4,-0.3 -0.997 76.6-130.1-135.0 129.8 -14.2 -6.2 -4.6 58 76 A V + 0 0 113 -2,-0.4 -3,-0.1 1,-0.2 -6,-0.0 -0.725 32.2 174.3 -76.8 112.7 -12.2 -4.3 -7.2 59 77 A E - 0 0 101 -2,-0.8 -1,-0.2 -5,-0.2 -7,-0.0 0.523 51.0 -97.7-105.0 -12.0 -13.1 -0.7 -6.2 60 78 A G S S+ 0 0 60 -9,-0.0 -2,-0.1 0, 0.0 -8,-0.1 0.275 105.4 75.3 120.0 -10.5 -10.8 1.2 -8.5 61 79 A N + 0 0 60 -10,-0.3 -9,-0.1 38,-0.0 2,-0.1 0.341 67.2 119.1-114.0 6.3 -7.6 2.2 -6.6 62 80 A E - 0 0 32 -13,-0.0 2,-0.4 2,-0.0 -11,-0.2 -0.320 41.7-165.9 -74.8 151.7 -5.9 -1.2 -6.5 63 81 A Q E -N 50 0C 38 -13,-2.0 -13,-3.0 -2,-0.1 2,-0.6 -0.971 7.7-162.8-130.5 120.7 -2.5 -2.1 -7.9 64 82 A F E +N 49 0C 76 -2,-0.4 2,-0.4 -15,-0.2 -15,-0.2 -0.930 16.6 172.9-102.8 118.6 -1.8 -5.8 -8.1 65 83 A I E -N 48 0C 14 -17,-3.0 -17,-2.9 -2,-0.6 2,-0.1 -0.989 27.3-128.1-131.8 125.4 1.9 -6.5 -8.5 66 84 A S E -N 47 0C 53 -2,-0.4 25,-2.9 -19,-0.3 26,-0.3 -0.353 28.2-112.0 -66.7 145.7 3.6 -9.9 -8.4 67 85 A A E -O 90 0C 14 -21,-2.6 23,-0.3 23,-0.2 3,-0.1 -0.596 22.9-168.2 -73.5 138.2 6.6 -10.5 -6.1 68 86 A S E S+ 0 0 56 21,-3.2 2,-0.3 1,-0.4 22,-0.2 0.750 73.0 0.3 -94.9 -31.6 9.9 -11.0 -8.0 69 87 A K E -O 89 0C 79 20,-1.1 20,-2.8 2,-0.0 -1,-0.4 -0.988 57.2-153.2-155.1 154.5 11.8 -12.2 -4.9 70 88 A S E -O 88 0C 37 -2,-0.3 2,-0.5 18,-0.2 18,-0.2 -0.977 9.7-163.9-130.3 138.7 11.2 -12.9 -1.2 71 89 A I E -O 87 0C 36 16,-2.9 16,-2.5 -2,-0.4 2,-0.2 -0.924 5.1-158.7-132.8 105.5 14.0 -12.6 1.4 72 90 A V E -O 86 0C 50 -2,-0.5 14,-0.2 14,-0.2 12,-0.1 -0.575 40.9 -89.1 -80.3 144.5 13.4 -14.2 4.8 73 91 A H > - 0 0 23 12,-2.2 3,-1.9 10,-0.3 -1,-0.1 -0.274 34.9-125.3 -56.6 138.5 15.7 -12.9 7.5 74 92 A P T 3 S+ 0 0 101 0, 0.0 -1,-0.2 0, 0.0 -2,-0.1 0.735 109.3 41.3 -60.9 -22.3 18.9 -15.0 7.7 75 93 A S T 3 S+ 0 0 75 8,-0.1 2,-0.1 2,-0.0 -2,-0.1 0.194 80.3 141.3-109.6 14.4 18.3 -15.8 11.4 76 94 A Y < - 0 0 54 -3,-1.9 2,-0.6 9,-0.1 7,-0.2 -0.378 33.5-163.5 -59.1 128.9 14.6 -16.4 11.3 77 95 A N B >> -P 82 0D 63 5,-2.3 4,-2.2 -2,-0.1 5,-0.5 -0.960 8.3-163.5-118.7 111.4 13.6 -19.3 13.5 78 96 A S T 45S+ 0 0 76 -2,-0.6 -1,-0.1 1,-0.2 -2,-0.0 0.676 87.3 55.9 -71.4 -17.7 10.2 -20.6 12.7 79 97 A N T 45S+ 0 0 143 1,-0.1 -1,-0.2 3,-0.1 -2,-0.0 0.932 123.6 21.5 -77.3 -48.4 10.0 -22.5 16.1 80 98 A T T 45S- 0 0 73 2,-0.1 -2,-0.2 -3,-0.0 -1,-0.1 0.602 97.1-131.4 -92.9 -15.6 10.6 -19.5 18.4 81 99 A L T ><5 + 0 0 32 -4,-2.2 3,-0.9 1,-0.3 2,-0.2 0.619 49.0 160.4 62.9 18.0 9.5 -16.8 15.8 82 100 A N B 3 < +P 77 0D 37 -5,-0.5 -5,-2.3 1,-0.2 -1,-0.3 -0.505 67.7 14.4 -63.4 135.9 12.7 -15.0 16.6 83 101 A N T 3 S+ 0 0 17 -7,-0.2 2,-2.1 1,-0.2 -10,-0.3 0.895 79.7 179.4 62.3 44.6 13.6 -12.6 13.7 84 102 A D < + 0 0 1 -3,-0.9 2,-0.3 75,-0.2 123,-0.2 -0.487 36.2 113.8 -77.9 75.7 10.1 -12.9 12.2 85 103 A I + 0 0 0 -2,-2.1 -12,-2.2 -47,-0.3 2,-0.3 -0.995 36.6 176.9-149.7 145.0 10.7 -10.5 9.3 86 104 A M E -MO 37 72C 0 -49,-2.2 -49,-2.7 -2,-0.3 2,-0.4 -0.984 20.1-138.8-148.8 147.0 10.9 -10.8 5.5 87 105 A L E -MO 36 71C 0 -16,-2.5 -16,-2.9 -2,-0.3 2,-0.5 -0.907 14.2-162.2-106.7 140.7 11.3 -8.4 2.6 88 106 A I E -MO 35 70C 0 -53,-2.6 -53,-2.5 -2,-0.4 2,-0.5 -0.989 7.2-150.4-125.7 124.8 9.3 -8.9 -0.6 89 107 A K E -MO 34 69C 36 -20,-2.8 -21,-3.2 -2,-0.5 -20,-1.1 -0.845 15.1-131.6 -97.9 133.8 10.5 -7.2 -3.8 90 108 A L E - 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