==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=8-JAN-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 22-JUL-11 3T28 . COMPND 2 MOLECULE: CATIONIC TRYPSIN; . SOURCE 2 ORGANISM_SCIENTIFIC: BOS TAURUS; . AUTHOR J.CAHN,M.VENKAT,S.SAXBY,D.JUERS . 223 1 6 6 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9242.0 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 . 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 . 22 9.9 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 2 0 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 16 A I 0 0 3 0, 0.0 2,-0.5 0, 0.0 3,-0.3 0.000 360.0 360.0 360.0 115.8 2.8 10.0 11.2 2 17 A V B +A 171 0A 10 169,-2.5 169,-1.8 1,-0.2 123,-0.1 -0.874 360.0 11.9 -90.8 129.4 -0.2 7.7 11.0 3 18 A G S S+ 0 0 38 121,-0.5 -1,-0.2 -2,-0.5 2,-0.1 0.628 103.7 106.9 84.9 13.2 -0.8 6.1 7.6 4 19 A G - 0 0 34 -3,-0.3 2,-0.3 167,-0.1 134,-0.2 -0.058 61.0-113.1-101.0-149.8 2.5 7.1 6.0 5 20 A Y E -B 137 0B 125 132,-2.1 132,-3.5 -3,-0.1 2,-0.4 -0.868 36.6 -78.9-143.6 167.4 5.7 5.2 5.1 6 21 A T E -B 136 0B 73 -2,-0.3 130,-0.2 130,-0.2 129,-0.1 -0.645 36.7-149.0 -74.7 122.7 9.4 5.0 6.1 7 22 A a - 0 0 17 128,-2.3 -1,-0.2 -2,-0.4 129,-0.1 0.911 35.9-115.6 -60.4 -43.9 11.2 7.9 4.6 8 23 A G > - 0 0 28 127,-0.5 3,-1.8 -3,-0.1 4,-0.2 -0.010 48.6 -55.5 103.0 138.0 14.5 6.2 4.1 9 24 A A T 3 S- 0 0 50 1,-0.3 44,-0.1 2,-0.1 43,-0.1 -0.204 117.9 -11.1 -54.5 124.5 17.7 7.3 6.0 10 25 A N T 3 S+ 0 0 39 42,-0.3 -1,-0.3 2,-0.1 43,-0.1 0.516 90.3 127.4 67.6 10.8 18.6 11.0 5.4 11 26 A T S < S+ 0 0 85 -3,-1.8 -1,-0.1 1,-0.3 -2,-0.1 0.414 77.5 43.9 -78.0 0.4 16.1 11.5 2.6 12 27 A V S > S+ 0 0 8 -4,-0.2 3,-1.9 87,-0.1 -1,-0.3 -0.596 74.2 174.2-138.4 69.3 14.7 14.5 4.5 13 28 A P T 3 S+ 0 0 32 0, 0.0 88,-1.2 0, 0.0 38,-0.4 0.596 70.6 61.6 -63.0 -15.3 17.9 16.2 5.5 14 29 A Y T 3 S+ 0 0 21 86,-0.2 15,-2.2 88,-0.1 2,-0.5 0.414 78.7 109.1 -89.2 2.0 16.3 19.4 7.0 15 30 A Q E < -J 28 0C 4 -3,-1.9 37,-0.5 13,-0.2 36,-0.4 -0.666 50.7-167.1 -86.3 121.9 14.3 17.4 9.6 16 31 A V E -J 27 0C 0 11,-2.5 11,-1.2 -2,-0.5 2,-0.4 -0.716 15.0-144.1-102.9 158.5 15.5 17.8 13.2 17 32 A S E -JK 26 49C 1 32,-1.8 32,-2.8 -2,-0.3 2,-0.6 -0.978 15.7-142.1-107.2 132.2 14.7 15.9 16.4 18 33 A L E -JK 25 48C 0 7,-3.2 6,-2.8 -2,-0.4 7,-0.7 -0.880 23.1-169.5 -94.2 119.0 14.5 18.0 19.5 19 34 A N E +JK 23 47C 19 28,-3.8 28,-3.0 -2,-0.6 4,-0.2 -0.912 29.5 161.8-112.6 130.2 16.0 16.0 22.4 20 37 A S S S- 0 0 34 2,-2.2 3,-0.1 -2,-0.5 -1,-0.1 -0.112 98.9 -39.7-129.4 34.7 15.8 16.8 26.1 21 38 A G S S+ 0 0 64 1,-0.2 2,-0.3 26,-0.1 -2,-0.1 -0.007 140.3 13.2 132.1 -20.7 16.8 13.3 27.3 22 39 A Y S S- 0 0 124 -4,-0.1 -2,-2.2 0, 0.0 2,-0.3 -0.895 104.9 -68.1-170.5 163.9 14.7 11.7 24.6 23 40 A H E +J 19 0C 35 -2,-0.3 -4,-0.2 -4,-0.2 3,-0.1 -0.595 52.4 159.4 -68.9 128.6 12.9 12.9 21.4 24 41 A F E + 0 0 33 -6,-2.8 2,-0.3 1,-0.4 151,-0.3 0.484 59.1 1.4-128.0 -6.2 10.0 15.2 22.1 25 42 A b E -J 18 0C 7 -7,-0.7 -7,-3.2 151,-0.1 -1,-0.4 -0.964 62.0-116.6-171.1 159.4 9.4 17.2 18.9 26 43 A G E +J 17 0C 0 151,-3.0 12,-0.3 -2,-0.3 2,-0.3 -0.391 30.1 177.6 -91.8 176.6 10.4 17.7 15.3 27 44 A G E -J 16 0C 0 -11,-1.2 -11,-2.5 -2,-0.1 2,-0.4 -0.976 24.6-117.2-165.7 177.8 11.9 20.8 13.7 28 45 A S E -JL 15 36C 0 8,-2.2 8,-3.2 -2,-0.3 2,-0.4 -0.994 16.9-138.0-133.4 127.0 13.2 22.2 10.5 29 46 A L E + L 0 35C 0 -15,-2.2 74,-2.4 -2,-0.4 6,-0.2 -0.679 24.8 172.6 -76.8 131.5 16.7 23.5 9.9 30 47 A I E - 0 0 18 4,-1.9 2,-0.3 1,-0.5 75,-0.1 0.521 66.7 -4.7-124.6 -16.1 16.5 26.7 7.9 31 48 A N E > S- L 0 34C 49 3,-1.0 3,-1.0 70,-0.1 -1,-0.5 -0.918 91.0 -79.1-158.4-177.0 20.1 27.8 7.9 32 49 A S T 3 S+ 0 0 37 -2,-0.3 62,-2.6 1,-0.2 60,-0.1 0.741 126.2 31.4 -61.6 -17.9 23.3 26.6 9.6 33 50 A Q T 3 S+ 0 0 63 60,-0.2 57,-2.2 56,-0.1 2,-0.4 0.448 108.5 68.5-119.4 -1.7 22.4 28.1 13.0 34 51 A W E < -LM 31 89C 6 -3,-1.0 -4,-1.9 55,-0.2 -3,-1.0 -0.936 47.1-168.7-135.4 145.6 18.7 28.1 13.3 35 52 A V E -LM 29 88C 0 53,-2.6 53,-2.1 -2,-0.4 2,-0.5 -0.991 12.3-149.6-128.8 135.5 15.8 25.7 13.7 36 53 A V E +LM 28 87C 0 -8,-3.2 -8,-2.2 -2,-0.4 2,-0.2 -0.920 31.0 148.1-105.3 134.7 12.1 26.4 13.4 37 54 A S E - M 0 86C 0 49,-2.6 49,-2.0 -2,-0.5 2,-0.3 -0.788 50.8 -72.7-146.4-177.8 9.6 24.4 15.4 38 55 A A > - 0 0 0 -12,-0.3 3,-1.8 47,-0.3 47,-0.3 -0.661 33.4-129.0 -90.7 146.3 6.2 24.9 17.1 39 56 A A G > S+ 0 0 2 -2,-0.3 3,-2.0 1,-0.3 -1,-0.1 0.771 106.8 66.0 -59.0 -28.2 5.9 27.1 20.2 40 57 A H G 3 S+ 0 0 61 1,-0.3 -1,-0.3 41,-0.1 137,-0.0 0.537 93.0 63.4 -78.1 -4.8 4.0 24.4 22.0 41 58 A b G < S+ 0 0 5 -3,-1.8 -1,-0.3 2,-0.1 -2,-0.2 0.356 76.5 135.1 -92.0 -1.7 7.2 22.4 21.9 42 59 A Y < + 0 0 128 -3,-2.0 2,-0.3 -4,-0.1 -3,-0.0 -0.268 20.9 145.8 -52.7 131.6 9.0 25.0 24.0 43 60 A K - 0 0 58 -2,-0.0 2,-0.3 0, 0.0 3,-0.2 -0.932 47.2-106.0-150.9 167.0 11.2 23.5 26.9 44 61 A S S S+ 0 0 105 -2,-0.3 0, 0.0 1,-0.2 0, 0.0 -0.780 97.0 31.4 -95.8 147.0 14.4 24.5 28.6 45 62 A G S S+ 0 0 64 -2,-0.3 2,-0.4 1,-0.2 -1,-0.2 0.976 77.0 177.8 75.1 55.6 17.6 22.5 27.8 46 63 A I - 0 0 5 -3,-0.2 21,-2.9 21,-0.1 2,-0.5 -0.794 16.9-162.3 -94.1 131.6 16.9 21.5 24.2 47 64 A Q E -KN 19 66C 47 -28,-3.0 -28,-3.8 -2,-0.4 2,-0.4 -0.983 13.4-144.6-110.2 125.3 19.4 19.6 22.3 48 65 A V E -KN 18 65C 0 17,-2.7 17,-2.7 -2,-0.5 2,-0.6 -0.769 11.4-158.3 -87.2 128.5 18.9 19.7 18.5 49 66 A R E -KN 17 64C 51 -32,-2.8 -32,-1.8 -2,-0.4 3,-0.3 -0.949 12.4-171.4-118.0 112.8 19.8 16.5 16.8 50 67 A L E + N 0 63C 0 13,-3.2 13,-2.1 -2,-0.6 -34,-0.1 -0.673 60.1 28.4-106.5 153.7 20.6 16.7 13.1 51 69 A G S S+ 0 0 5 -36,-0.4 2,-0.3 -38,-0.4 10,-0.2 0.761 84.5 160.5 72.6 26.9 21.2 14.1 10.4 52 70 A E + 0 0 11 -37,-0.5 -42,-0.3 -3,-0.3 -1,-0.2 -0.621 24.1 147.9 -88.3 136.3 19.0 11.6 12.2 53 71 A D S S+ 0 0 14 -2,-0.3 2,-0.8 1,-0.3 82,-0.4 0.479 79.9 32.8-112.8 -71.7 17.3 8.6 10.9 54 72 A N S > S- 0 0 32 80,-0.2 3,-1.8 3,-0.2 -1,-0.3 -0.740 70.2-161.3 -86.7 109.9 17.1 6.0 13.7 55 73 A I T 3 S+ 0 0 27 78,-2.8 -1,-0.1 -2,-0.8 79,-0.1 0.637 88.8 48.0 -74.0 -6.9 16.8 8.1 16.9 56 74 A N T 3 S+ 0 0 122 77,-0.3 2,-0.4 1,-0.1 -1,-0.3 0.293 105.7 62.1-109.8 6.8 18.0 5.2 19.0 57 75 A V S < S- 0 0 78 -3,-1.8 2,-1.0 76,-0.2 -4,-0.2 -0.999 76.6-130.7-131.8 136.8 21.1 4.2 17.0 58 76 A V + 0 0 115 -2,-0.4 -3,-0.1 1,-0.2 -6,-0.0 -0.717 32.3 174.4 -81.6 103.9 24.2 6.3 16.3 59 77 A E - 0 0 102 -2,-1.0 -1,-0.2 -5,-0.2 -7,-0.0 0.625 48.6-103.7 -95.2 -9.1 24.4 5.7 12.6 60 78 A G S S+ 0 0 57 -9,-0.0 -2,-0.1 0, 0.0 -9,-0.0 0.338 102.8 79.0 109.3 -5.5 27.3 8.0 11.8 61 79 A N + 0 0 64 -10,-0.2 2,-0.1 38,-0.0 38,-0.0 0.340 65.9 118.9-111.9 12.1 25.7 11.1 10.2 62 80 A E - 0 0 34 -13,-0.0 2,-0.4 2,-0.0 -11,-0.2 -0.406 41.7-166.0 -82.6 148.4 24.4 12.8 13.3 63 81 A Q E -N 50 0C 39 -13,-2.1 -13,-3.2 -2,-0.1 2,-0.6 -0.985 8.9-160.7-126.2 124.8 25.3 16.3 14.6 64 82 A F E +N 49 0C 81 -2,-0.4 2,-0.4 -15,-0.2 -15,-0.2 -0.922 18.2 168.7-107.4 115.5 24.3 17.0 18.2 65 83 A I E -N 48 0C 14 -17,-2.7 -17,-2.7 -2,-0.6 2,-0.1 -0.990 27.1-131.6-133.7 126.2 24.1 20.7 19.1 66 84 A S E -N 47 0C 54 -2,-0.4 25,-2.6 -19,-0.3 2,-0.3 -0.421 33.9 -96.7 -74.3 150.3 22.6 22.3 22.2 67 85 A A E -O 90 0C 21 -21,-2.9 23,-0.3 23,-0.2 3,-0.1 -0.467 30.4-172.5 -66.6 126.7 20.3 25.2 22.0 68 86 A S E S- 0 0 70 21,-3.2 2,-0.3 1,-0.4 22,-0.2 0.847 73.8 -0.6 -80.2 -40.8 21.9 28.6 22.5 69 87 A K E -O 89 0C 93 20,-1.1 20,-2.9 2,-0.0 2,-0.4 -0.970 61.6-152.8-158.5 128.5 18.7 30.7 22.6 70 88 A S E -O 88 0C 48 -2,-0.3 2,-0.5 18,-0.2 18,-0.2 -0.941 10.4-169.4-105.1 138.7 15.0 29.8 22.3 71 89 A I E -O 87 0C 33 16,-3.5 16,-2.6 -2,-0.4 2,-0.2 -0.879 5.8-161.1-134.4 99.6 12.5 32.4 20.9 72 90 A V E -O 86 0C 49 -2,-0.5 14,-0.2 14,-0.2 12,-0.1 -0.577 45.7 -88.4 -72.5 141.8 8.8 31.7 21.2 73 91 A H > - 0 0 22 12,-2.0 3,-1.4 10,-0.3 -1,-0.1 -0.211 37.6-117.2 -50.9 143.7 6.8 33.9 18.8 74 92 A P T 3 S+ 0 0 98 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.688 111.6 38.9 -57.3 -20.1 5.9 37.2 20.5 75 93 A S T 3 S+ 0 0 73 8,-0.1 2,-0.1 2,-0.1 -2,-0.1 0.145 76.1 149.4-119.3 14.8 2.2 36.5 20.2 76 94 A Y < - 0 0 58 -3,-1.4 2,-0.6 7,-0.2 7,-0.2 -0.324 27.4-164.6 -52.7 119.2 2.0 32.8 20.9 77 95 A N > - 0 0 72 5,-2.4 4,-1.6 -2,-0.1 5,-0.4 -0.955 5.2-166.3-105.9 118.2 -1.4 32.0 22.6 78 96 A S T 4 S+ 0 0 76 -2,-0.6 -1,-0.1 2,-0.2 -2,-0.0 0.627 83.3 55.4 -84.3 -10.9 -1.3 28.6 24.2 79 97 A N T 4 S+ 0 0 156 1,-0.1 -1,-0.2 3,-0.1 -2,-0.0 0.881 125.7 23.2 -85.2 -36.0 -5.1 28.2 24.8 80 98 A T T 4 S- 0 0 76 2,-0.1 -2,-0.2 76,-0.0 3,-0.1 0.560 97.0-135.1 -98.4 -12.7 -5.9 28.8 21.1 81 99 A L >< + 0 0 37 -4,-1.6 3,-1.0 1,-0.2 2,-0.3 0.630 47.5 157.1 60.0 17.6 -2.4 27.7 19.7 82 100 A N T 3 + 0 0 31 -5,-0.4 -5,-2.4 1,-0.2 -1,-0.2 -0.618 66.0 21.6 -70.7 128.5 -2.5 30.8 17.4 83 101 A N T 3 S+ 0 0 17 -2,-0.3 2,-2.6 76,-0.2 -10,-0.3 0.733 77.8 174.7 80.3 32.3 1.2 31.7 16.4 84 102 A D < + 0 0 0 -3,-1.0 2,-0.3 75,-0.2 123,-0.2 -0.422 35.8 110.2 -72.9 77.4 2.4 28.3 17.2 85 103 A I + 0 0 0 -2,-2.6 -12,-2.0 -47,-0.3 2,-0.3 -0.976 39.0 178.2-153.3 153.5 5.9 28.9 15.9 86 104 A M E -MO 37 72C 0 -49,-2.0 -49,-2.6 -2,-0.3 2,-0.4 -0.980 17.9-140.4-162.7 139.1 9.3 29.2 17.6 87 105 A L E -MO 36 71C 0 -16,-2.6 -16,-3.5 -2,-0.3 2,-0.4 -0.848 11.7-167.7-108.9 145.2 13.0 29.7 16.7 88 106 A I E -MO 35 70C 0 -53,-2.1 -53,-2.6 -2,-0.4 2,-0.3 -0.999 8.7-152.7-128.9 127.9 16.0 28.0 18.3 89 107 A K E -MO 34 69C 42 -20,-2.9 -21,-3.2 -2,-0.4 -20,-1.1 -0.786 19.7-124.9 -98.6 147.4 19.6 29.2 17.7 90 108 A L E - 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