==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=7-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 20-NOV-07 3BEU . COMPND 2 MOLECULE: TRYPSIN; . SOURCE 2 ORGANISM_SCIENTIFIC: STREPTOMYCES GRISEUS; . AUTHOR M.J.PAGE,C.J.CARRELL,E.DI CERA . 448 2 6 6 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 17752.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 289 64.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 6 1.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 146 32.6 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 3 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 6 1.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 37 8.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 50 11.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 33 7.4 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 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 0 0 0 0 PARALLEL BRIDGES PER LADDER . 5 10 2 8 6 2 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 0 2 2 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 V > 0 0 0 0, 0.0 3,-0.6 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 123.2 3.7 16.3 -25.1 2 17 A V B 3 +A 167 0A 12 165,-2.9 165,-1.7 1,-0.2 119,-0.1 -0.774 360.0 13.1 -87.4 134.4 3.5 19.7 -23.4 3 18 A G T 3 S+ 0 0 46 117,-0.5 -1,-0.2 -2,-0.4 2,-0.1 0.748 101.6 135.8 72.0 23.7 2.9 22.6 -25.7 4 19 A G < - 0 0 23 -3,-0.6 2,-0.3 163,-0.1 -1,-0.2 -0.400 41.9-152.1-100.7 173.6 2.0 20.3 -28.6 5 20 A T E -B 132 0B 98 127,-1.8 127,-2.7 -2,-0.1 2,-0.1 -0.899 40.7 -70.3-137.4 165.6 -0.6 20.1 -31.3 6 21 A R E -B 131 0B 150 -2,-0.3 125,-0.3 125,-0.2 2,-0.2 -0.331 38.2-134.0 -65.2 135.6 -2.2 17.2 -33.1 7 22 A A - 0 0 6 123,-2.4 2,-0.2 -2,-0.1 123,-0.1 -0.562 32.1-110.1 -72.1 147.8 -0.2 15.3 -35.7 8 23 A A >> - 0 0 57 -2,-0.2 3,-2.4 1,-0.1 4,-0.5 -0.519 38.5 -91.9 -74.7 149.0 -2.2 14.6 -38.9 9 24 A Q T 34 S+ 0 0 114 1,-0.3 -1,-0.1 -2,-0.2 45,-0.1 -0.410 116.6 14.4 -56.2 127.9 -3.4 11.2 -39.7 10 25 A G T 34 S+ 0 0 47 -2,-0.1 -1,-0.3 2,-0.1 4,-0.1 0.326 95.0 110.5 86.7 -7.0 -0.6 9.6 -41.8 11 26 A E T <4 S+ 0 0 64 -3,-2.4 -2,-0.1 1,-0.3 3,-0.1 0.922 93.5 16.8 -66.6 -45.1 2.0 12.2 -40.9 12 27 A F S >< S+ 0 0 10 -4,-0.5 3,-1.9 1,-0.1 -1,-0.3 -0.728 73.5 170.1-126.2 72.0 4.2 10.0 -38.8 13 28 A P T 3 + 0 0 29 0, 0.0 40,-0.5 0, 0.0 -1,-0.1 0.668 69.2 69.3 -70.1 -14.8 3.0 6.5 -39.8 14 29 A F T 3 S+ 0 0 6 84,-0.1 12,-2.1 -3,-0.1 2,-0.2 0.484 75.3 112.0 -73.8 -10.6 5.9 4.8 -37.9 15 30 A M E < -J 25 0C 8 -3,-1.9 38,-0.5 10,-0.2 2,-0.4 -0.506 45.2-175.2 -69.8 142.1 4.5 5.8 -34.6 16 31 A V E -J 24 0C 0 8,-2.4 8,-1.5 -2,-0.2 2,-0.4 -0.982 18.8-142.5-131.6 143.2 3.1 3.1 -32.3 17 32 A R E -JK 23 51C 24 34,-2.3 34,-2.9 -2,-0.4 2,-0.4 -0.868 18.9-151.0 -96.9 138.3 1.4 3.2 -28.9 18 33 A L E >> -JK 22 50C 1 4,-2.9 3,-2.3 -2,-0.4 4,-1.1 -0.902 18.9-123.2-114.7 144.0 2.3 0.5 -26.4 19 34 A S T 34 S+ 0 0 48 30,-1.8 31,-0.1 -2,-0.4 245,-0.1 0.530 105.3 66.3 -74.3 -5.2 -0.1 -0.8 -23.8 20 35 A M T 34 S- 0 0 40 29,-0.1 -1,-0.3 18,-0.1 246,-0.1 0.469 126.8 -93.1 -84.2 -0.1 2.1 -0.1 -20.8 21 41 A G T <4 S+ 0 0 20 -3,-2.3 2,-0.3 1,-0.3 152,-0.2 0.826 88.3 114.2 95.8 35.6 1.7 3.6 -21.6 22 42 A a E < -J 18 0C 10 -4,-1.1 -4,-2.9 150,-0.1 -1,-0.3 -0.825 56.3-125.2-124.8 166.4 4.7 4.3 -23.8 23 43 A G E +J 17 0C 1 150,-2.8 12,-0.4 -2,-0.3 2,-0.3 -0.546 27.3 175.0 -98.4 176.4 5.4 5.2 -27.4 24 44 A G E -J 16 0C 0 -8,-1.5 -8,-2.4 -2,-0.2 2,-0.4 -0.964 22.7-121.9-166.7 173.5 7.6 3.5 -29.9 25 45 A A E -JL 15 33C 0 8,-2.2 8,-2.7 -2,-0.3 2,-1.2 -0.964 30.1-109.0-127.4 146.6 8.6 3.5 -33.5 26 46 A L E + L 0 32C 0 -12,-2.1 73,-2.4 -2,-0.4 6,-0.2 -0.609 37.8 170.1 -75.7 99.4 8.4 0.9 -36.2 27 47 A Y E S+ 0 0 57 4,-1.9 2,-0.3 -2,-1.2 -1,-0.2 0.869 82.2 0.9 -73.6 -42.6 12.1 -0.1 -36.7 28 48 A A E > S- L 0 31C 28 3,-1.9 3,-1.6 -3,-0.2 -1,-0.3 -0.885 91.8 -99.5-129.4 168.7 10.8 -3.0 -38.8 29 49 A Q T 3 S+ 0 0 74 -2,-0.3 65,-2.7 1,-0.3 63,-0.1 0.802 128.2 31.5 -63.8 -24.1 7.2 -3.7 -39.6 30 50 A D T 3 S+ 0 0 54 63,-0.3 60,-2.9 1,-0.1 2,-0.4 0.130 111.7 73.8-116.9 21.0 7.3 -6.3 -36.9 31 51 A I E < -LM 28 89C 15 -3,-1.6 -3,-1.9 58,-0.2 -4,-1.9 -0.973 61.1-159.5-137.8 121.7 9.8 -4.7 -34.5 32 52 A V E -LM 26 88C 0 56,-2.8 56,-2.3 -2,-0.4 2,-0.5 -0.862 8.2-148.9 -98.4 128.5 9.2 -1.7 -32.3 33 53 A L E +LM 25 87C 0 -8,-2.7 -8,-2.2 -2,-0.5 54,-0.2 -0.867 37.2 144.8 -92.8 126.1 12.0 0.4 -31.0 34 54 A T E - M 0 86C 0 52,-2.8 52,-2.1 -2,-0.5 2,-0.3 -0.687 50.2 -63.2-142.5-169.0 11.2 1.9 -27.6 35 55 A A > - 0 0 0 -12,-0.4 3,-1.5 50,-0.3 50,-0.3 -0.692 32.8-131.5 -86.2 143.5 12.8 2.8 -24.2 36 56 A A G > S+ 0 0 0 -2,-0.3 3,-1.8 1,-0.3 -1,-0.1 0.853 108.7 61.1 -54.3 -36.9 14.4 0.2 -22.0 37 57 A H G 3 S+ 0 0 43 1,-0.3 -1,-0.3 3,-0.1 47,-0.0 0.586 93.0 65.5 -76.6 -6.8 12.5 1.7 -19.1 38 58 A a G < S+ 0 0 9 -3,-1.5 -1,-0.3 -15,-0.1 2,-0.3 0.504 103.9 51.4 -83.5 -8.6 9.2 0.9 -20.8 39 59 A V S < S- 0 0 7 -3,-1.8 3,-0.1 -4,-0.2 49,-0.0 -0.784 78.3-129.7-125.0 171.4 9.9 -2.9 -20.5 40 60 A S - 0 0 17 1,-0.3 234,-0.4 -2,-0.3 2,-0.3 0.613 69.3 -64.8 -95.5 -16.6 10.8 -5.1 -17.6 41 60AA G S S- 0 0 7 232,-0.1 2,-0.3 -5,-0.1 -1,-0.3 -0.955 72.5 -48.9 154.9-162.4 13.8 -7.0 -19.0 42 60BA S S S+ 0 0 48 -2,-0.3 2,-0.3 29,-0.2 29,-0.2 -0.846 76.6 83.6-109.0 146.5 14.3 -9.4 -21.9 43 60CA G E S-N 70 0C 21 27,-2.4 27,-2.6 -2,-0.3 229,-0.1 -0.904 79.8 -39.2 156.0 180.0 12.3 -12.6 -22.6 44 60DA N E +N 69 0C 94 -2,-0.3 227,-2.8 25,-0.2 228,-0.5 -0.468 58.4 170.8 -66.9 144.4 9.3 -13.9 -24.3 45 61 A N B +Q 270 0D 3 23,-2.3 225,-0.2 225,-0.3 3,-0.2 -0.786 24.0 167.6-165.5 109.8 6.3 -11.6 -23.7 46 62 A T + 0 0 39 223,-2.5 221,-0.2 -2,-0.3 224,-0.1 0.094 65.5 88.3-109.1 18.9 2.9 -11.9 -25.3 47 63 A S + 0 0 0 222,-0.6 2,-0.4 221,-0.1 -1,-0.1 0.498 64.8 89.4 -98.1 -10.0 1.3 -9.3 -22.9 48 64 A I - 0 0 2 -3,-0.2 19,-2.5 218,-0.1 2,-0.5 -0.789 58.7-156.9 -93.8 136.9 2.1 -6.1 -24.8 49 65 A T E - O 0 66C 33 -2,-0.4 -30,-1.8 216,-0.4 2,-0.5 -0.959 4.9-157.1-108.0 127.0 -0.4 -4.7 -27.3 50 66 A A E -KO 18 65C 0 15,-3.0 15,-2.3 -2,-0.5 2,-0.6 -0.892 4.1-154.9-101.7 130.5 1.0 -2.3 -30.0 51 67 A T E +KO 17 64C 8 -34,-2.9 -34,-2.3 -2,-0.5 2,-0.2 -0.934 25.0 166.9-110.5 115.1 -1.5 0.1 -31.6 52 68 A G E + O 0 63C 0 11,-2.9 11,-2.5 -2,-0.6 -36,-0.1 -0.681 40.6 45.9-118.8 172.8 -0.5 1.2 -35.1 53 69 A G S S+ 0 0 14 -40,-0.5 2,-0.3 -38,-0.5 -1,-0.1 0.238 95.1 71.2 89.2 -14.4 -1.9 2.9 -38.1 54 70 A V - 0 0 14 -39,-0.2 -1,-0.1 9,-0.1 -45,-0.0 -0.988 57.0-152.1-144.4 147.5 -3.7 5.8 -36.4 55 71 A V S S+ 0 0 20 -2,-0.3 75,-1.8 1,-0.1 2,-0.8 0.787 93.7 67.4 -80.5 -29.6 -3.3 9.1 -34.6 56 72 A D B > S-R 129 0E 29 73,-0.2 3,-2.2 1,-0.1 73,-0.2 -0.838 72.1-157.3 -95.9 111.7 -6.6 8.6 -32.8 57 73 A L T 3 S+ 0 0 28 71,-2.6 -1,-0.1 -2,-0.8 72,-0.1 0.695 92.3 55.7 -64.9 -17.3 -6.3 5.6 -30.4 58 75 A Q T 3 S+ 0 0 142 70,-0.2 -1,-0.3 -3,-0.0 2,-0.1 0.416 81.1 120.6 -90.3 0.6 -10.1 5.0 -30.5 59 76 A S X - 0 0 36 -3,-2.2 3,-1.6 1,-0.1 -5,-0.0 -0.376 64.1-139.6 -68.4 140.7 -10.2 4.7 -34.3 60 77 A S T 3 S+ 0 0 126 1,-0.3 -1,-0.1 -2,-0.1 -3,-0.0 0.623 101.6 69.2 -74.2 -9.0 -11.6 1.5 -35.8 61 79 A S T 3 S+ 0 0 87 2,-0.1 -1,-0.3 -8,-0.0 -2,-0.1 0.481 75.8 118.5 -77.2 -11.1 -8.8 1.7 -38.4 62 80 A A < - 0 0 22 -3,-1.6 2,-0.5 -6,-0.1 -9,-0.2 -0.334 60.4-141.1 -58.5 146.7 -6.3 1.0 -35.6 63 81 A V E -O 52 0C 62 -11,-2.5 -11,-2.9 2,-0.0 2,-0.5 -0.964 16.6-166.2-105.2 121.8 -4.2 -2.1 -36.0 64 82 A K E +O 51 0C 128 -2,-0.5 2,-0.4 -13,-0.2 -13,-0.2 -0.970 12.2 174.4-116.4 119.6 -3.7 -3.8 -32.6 65 83 A V E -O 50 0C 2 -15,-2.3 -15,-3.0 -2,-0.5 2,-0.2 -0.960 24.5-128.7-128.4 138.5 -1.0 -6.5 -32.5 66 84 A R E -O 49 0C 120 -2,-0.4 25,-3.2 -17,-0.2 26,-0.3 -0.548 24.1-118.6 -83.4 152.8 0.4 -8.5 -29.6 67 85 A S E - P 0 90C 1 -19,-2.5 23,-0.3 23,-0.3 3,-0.1 -0.367 17.2-168.1 -74.8 164.6 4.1 -8.8 -28.8 68 86 A T E - 0 0 39 21,-2.6 -23,-2.3 1,-0.5 2,-0.3 0.596 67.7 -4.1-121.0 -31.3 6.0 -12.1 -28.8 69 87 A K E -NP 44 89C 62 20,-0.9 20,-2.5 -25,-0.3 -1,-0.5 -0.981 55.5-143.1-161.4 159.5 9.3 -11.1 -27.1 70 88 A V E -NP 43 88C 5 -27,-2.6 -27,-2.4 -2,-0.3 2,-0.5 -0.979 2.3-163.8-130.1 141.6 11.3 -8.2 -25.8 71 89 A L E - 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