==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=3-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE(SERINE PROTEINASE) 04-JUN-93 2PKC . COMPND 2 MOLECULE: PROTEINASE K; . SOURCE 2 ORGANISM_SCIENTIFIC: ENGYODONTIUM ALBUM; . AUTHOR A.MUELLER,W.HINRICHS,W.M.WOLF,W.SAENGER . 279 1 2 2 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10441.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 185 66.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 40 14.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 17 6.1 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, 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 . 3 1.1 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-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 . 21 7.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 35 12.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 56 20.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 0.7 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 1 0 1 0 0 1 0 1 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 3 0 1 2 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 PARALLEL BRIDGES PER LADDER . 1 3 0 0 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 ANTIPARALLEL BRIDGES PER LADDER . 3 0 0 0 0 0 0 0 1 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 A 0 0 35 0, 0.0 24,-2.1 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 155.2 56.3 9.3 71.0 2 2 A A E -A 24 0A 60 22,-0.2 2,-0.6 25,-0.0 22,-0.2 -0.998 360.0-152.6-141.0 146.3 58.3 7.9 68.1 3 3 A Q E > -A 23 0A 29 20,-2.3 20,-2.4 -2,-0.4 3,-0.6 -0.954 21.9-148.3-119.2 115.3 57.6 6.4 64.8 4 4 A T T 3 S+ 0 0 105 -2,-0.6 18,-0.2 1,-0.2 -2,-0.0 -0.482 76.9 12.8 -85.3 145.9 60.3 4.0 63.7 5 5 A N T 3 S+ 0 0 138 16,-0.2 -1,-0.2 1,-0.1 17,-0.2 0.911 89.8 169.0 51.1 50.4 61.0 3.6 59.9 6 6 A A < - 0 0 12 15,-2.5 -1,-0.1 -3,-0.6 76,-0.1 -0.479 46.2 -78.4 -83.5 164.0 59.0 6.6 59.1 7 7 A P >> - 0 0 24 0, 0.0 4,-1.8 0, 0.0 3,-0.7 -0.244 50.2-110.7 -57.6 143.7 58.9 8.3 55.7 8 8 A W H 3> S+ 0 0 28 1,-0.2 4,-2.4 199,-0.2 12,-0.1 0.825 114.0 57.0 -53.9 -38.3 62.1 10.5 55.3 9 9 A G H 3> S+ 0 0 2 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.829 105.4 49.6 -63.0 -40.8 60.2 13.8 55.5 10 10 A L H <4 S+ 0 0 1 -3,-0.7 4,-0.4 2,-0.2 14,-0.2 0.940 113.4 47.3 -65.5 -45.7 58.6 13.1 58.9 11 11 A A H >< S+ 0 0 0 -4,-1.8 3,-1.5 1,-0.2 -2,-0.2 0.919 110.2 54.7 -60.1 -38.6 62.0 12.1 60.3 12 12 A R H >< S+ 0 0 3 -4,-2.4 3,-1.4 1,-0.3 -1,-0.2 0.885 102.2 55.3 -64.9 -39.0 63.5 15.2 58.8 13 13 A I T 3< S+ 0 0 1 -4,-1.9 262,-2.4 1,-0.3 -1,-0.3 0.583 111.3 43.1 -76.1 -6.0 61.1 17.5 60.4 14 14 A S T < S+ 0 0 9 -3,-1.5 2,-0.3 -4,-0.4 -1,-0.3 0.196 106.9 80.5-116.7 11.7 61.9 16.2 63.9 15 15 A S < - 0 0 11 -3,-1.4 261,-0.1 -4,-0.2 242,-0.1 -0.871 65.9-147.1-118.4 163.4 65.6 16.1 63.4 16 16 A T S S+ 0 0 92 -2,-0.3 -1,-0.1 1,-0.1 -4,-0.1 0.457 90.9 40.8-109.2 7.0 68.6 18.4 63.4 17 17 A S S > S- 0 0 56 -5,-0.0 3,-0.6 0, 0.0 -3,-0.1 -0.990 82.6-113.8-151.0 151.9 70.3 16.3 60.6 18 18 A P T 3 S+ 0 0 55 0, 0.0 168,-0.1 0, 0.0 3,-0.1 -0.266 88.5 50.4 -83.4 171.0 69.2 14.5 57.5 19 19 A G T 3 S+ 0 0 72 166,-0.4 2,-0.1 1,-0.3 167,-0.0 0.464 74.4 128.9 81.1 7.7 69.4 10.8 57.0 20 20 A T < - 0 0 52 -3,-0.6 -1,-0.3 -12,-0.1 -8,-0.1 -0.504 43.5-159.0 -88.8 163.3 67.5 9.8 60.2 21 21 A S + 0 0 59 -2,-0.1 -15,-2.5 -10,-0.1 2,-0.5 0.309 59.1 90.2-125.9 3.9 64.5 7.4 60.1 22 22 A T - 0 0 27 -17,-0.2 2,-0.7 -18,-0.2 -18,-0.2 -0.939 58.6-150.2-109.2 137.4 62.6 8.1 63.2 23 23 A Y E -A 3 0A 0 -20,-2.4 -20,-2.3 -2,-0.5 2,-0.5 -0.905 16.8-166.6-102.9 107.0 59.8 10.6 63.6 24 24 A Y E +A 2 0A 116 -2,-0.7 2,-0.3 -22,-0.2 -22,-0.2 -0.866 20.6 149.9 -98.3 130.3 59.7 11.9 67.1 25 25 A Y - 0 0 34 -24,-2.1 2,-0.3 -2,-0.5 -11,-0.0 -0.981 48.9 -89.9-153.9 159.5 56.7 13.8 68.2 26 26 A D > - 0 0 54 -2,-0.3 3,-2.1 1,-0.1 4,-0.1 -0.589 37.6-124.6 -71.4 139.0 54.5 14.7 71.1 27 27 A E T 3 S+ 0 0 103 1,-0.3 -1,-0.1 -2,-0.3 4,-0.1 0.587 102.8 77.7 -61.1 -16.8 51.6 12.3 71.7 28 28 A S T > S- 0 0 29 1,-0.1 3,-2.7 2,-0.1 -1,-0.3 0.859 74.6-176.1 -63.0 -31.5 49.0 15.0 71.5 29 29 A A T < - 0 0 1 -3,-2.1 58,-2.6 1,-0.3 59,-0.3 0.674 65.6 -53.1 46.2 37.0 49.6 14.8 67.8 30 30 A G T > S+ 0 0 0 206,-0.3 3,-2.4 1,-0.2 59,-0.3 0.564 83.2 165.7 88.2 -1.3 47.3 17.7 66.8 31 31 A Q T < + 0 0 119 -3,-2.7 -1,-0.2 1,-0.3 57,-0.2 -0.221 67.3 26.9 -52.1 136.7 44.2 16.4 68.6 32 32 A G T 3 S+ 0 0 26 55,-0.5 93,-2.6 1,-0.3 94,-0.6 0.220 101.8 100.7 93.2 -15.1 41.7 19.2 68.8 33 33 A S E < -b 126 0B 1 -3,-2.4 56,-2.0 92,-0.2 2,-0.4 -0.557 58.3-145.9 -99.4 162.6 42.9 21.0 65.7 34 34 A a E -bc 127 89B 3 92,-2.0 94,-2.4 -2,-0.2 2,-0.5 -0.993 5.7-161.6-131.7 139.2 41.4 21.0 62.3 35 35 A V E -bc 128 90B 0 54,-2.5 56,-2.2 -2,-0.4 2,-0.5 -0.982 8.5-150.3-124.1 120.0 43.0 21.1 58.9 36 36 A Y E -bc 129 91B 0 92,-3.6 94,-2.9 -2,-0.5 2,-0.7 -0.778 8.6-157.3 -83.3 123.3 41.2 22.1 55.7 37 37 A V E -bc 130 92B 2 54,-3.0 56,-2.3 -2,-0.5 2,-1.0 -0.945 4.4-163.3-105.9 109.7 42.7 20.4 52.6 38 38 A I E + c 0 93B 0 92,-2.2 94,-0.5 -2,-0.7 56,-0.2 -0.834 50.0 86.3 -99.0 96.1 41.7 22.5 49.6 39 39 A D E S- c 0 94B 0 54,-1.8 57,-2.2 -2,-1.0 56,-1.8 -0.491 95.4 -34.5-155.1-146.1 42.3 20.1 46.7 40 40 A T S S- 0 0 0 1,-0.4 26,-0.4 54,-0.2 27,-0.3 0.365 97.4 -95.1 -75.9 -4.8 40.9 17.4 44.5 41 41 A G - 0 0 0 52,-0.4 2,-0.4 24,-0.1 -1,-0.4 -0.584 40.1 -92.1 114.8-176.3 39.1 16.0 47.6 42 42 A I - 0 0 3 21,-0.5 2,-2.1 -2,-0.2 23,-0.2 -0.996 18.9-126.1-139.5 136.9 40.0 13.2 50.0 43 43 A E > - 0 0 37 -2,-0.4 3,-2.2 1,-0.2 6,-0.1 -0.619 33.9-174.4 -79.7 82.6 39.2 9.6 50.0 44 44 A A T 3 S+ 0 0 33 -2,-2.1 7,-0.4 1,-0.3 9,-0.4 0.771 73.7 64.2 -47.5 -33.6 37.8 9.8 53.5 45 45 A S T 3 + 0 0 105 -3,-0.1 -1,-0.3 5,-0.1 5,-0.1 0.458 69.8 124.1 -72.1 -11.5 37.3 6.0 53.7 46 46 A H X - 0 0 9 -3,-2.2 3,-2.8 1,-0.2 4,-0.4 -0.439 66.3-133.6 -58.7 124.5 41.0 5.3 53.5 47 47 A P G > S+ 0 0 103 0, 0.0 3,-1.7 0, 0.0 -1,-0.2 0.813 102.6 71.2 -48.2 -29.8 41.9 3.2 56.6 48 48 A E G 3 S+ 0 0 22 1,-0.3 32,-2.7 2,-0.1 33,-0.1 0.656 95.4 51.8 -61.4 -21.8 44.9 5.5 57.1 49 49 A F G X S- 0 0 0 -3,-2.8 3,-3.4 30,-0.2 -1,-0.3 0.486 91.6-150.5 -93.3 -15.9 42.6 8.3 58.2 50 50 A E T < - 0 0 105 -3,-1.7 -2,-0.1 -4,-0.4 -5,-0.1 0.756 68.1 -54.9 49.9 38.3 40.8 6.2 60.8 51 51 A G T 3 S+ 0 0 67 -7,-0.4 -1,-0.3 -5,-0.4 -6,-0.1 0.471 113.7 113.2 76.0 7.9 37.6 8.0 60.4 52 52 A R < + 0 0 35 -3,-3.4 38,-3.5 26,-0.1 2,-0.3 0.372 62.3 76.0 -89.1 3.7 39.2 11.5 61.1 53 53 A A E +d 90 0B 9 -9,-0.4 2,-0.3 36,-0.2 38,-0.2 -0.872 51.6 164.6-117.6 147.1 38.6 12.8 57.5 54 54 A Q E -d 91 0B 81 36,-1.3 38,-2.8 -2,-0.3 2,-0.4 -0.953 35.8-117.7-157.4 146.2 35.4 14.0 55.8 55 55 A M E +d 92 0B 39 -2,-0.3 38,-0.2 36,-0.2 3,-0.1 -0.655 28.4 174.2 -79.7 132.9 34.4 15.9 52.7 56 56 A V E + 0 0 31 36,-2.6 2,-0.3 -2,-0.4 37,-0.2 0.590 62.3 8.3-112.2 -15.2 32.6 19.1 53.6 57 57 A K E -d 93 0B 77 35,-1.3 37,-2.5 6,-0.2 -1,-0.3 -0.962 52.5-170.0-167.8 143.0 32.2 20.7 50.1 58 58 A T E -d 94 0B 34 -2,-0.3 37,-0.1 35,-0.2 5,-0.1 -0.987 16.8-161.3-138.2 141.2 32.6 20.1 46.4 59 59 A Y S S+ 0 0 68 35,-1.9 2,-0.2 -2,-0.3 36,-0.1 0.112 78.8 62.0-102.4 13.2 32.4 22.3 43.5 60 60 A Y S S- 0 0 57 2,-0.2 -2,-0.1 34,-0.1 34,-0.0 -0.549 103.1 -84.8-127.0-176.3 31.9 19.4 41.1 61 61 A Y S S+ 0 0 231 -2,-0.2 2,-0.3 1,-0.1 -3,-0.0 0.866 112.3 35.3 -66.4 -34.2 29.4 16.6 40.5 62 62 A S - 0 0 49 2,-0.2 -2,-0.2 1,-0.0 -3,-0.2 -0.931 69.5-139.2-118.2 154.3 31.0 14.3 43.1 63 63 A S S S+ 0 0 54 -2,-0.3 -21,-0.5 -5,-0.1 2,-0.2 0.322 73.1 108.8 -88.6 3.0 32.6 15.2 46.5 64 64 A R S S- 0 0 164 -23,-0.1 2,-1.0 -21,-0.1 -2,-0.2 -0.555 74.9-116.5 -93.7 157.5 35.2 12.6 45.7 65 65 A D + 0 0 6 -2,-0.2 -24,-0.1 1,-0.2 -2,-0.1 -0.701 34.0 164.6 -92.1 100.7 38.8 12.4 44.8 66 66 A G S S+ 0 0 41 -2,-1.0 -1,-0.2 -26,-0.4 -25,-0.1 0.334 78.0 47.5 -91.9 2.0 39.0 10.9 41.4 67 67 A N S S- 0 0 46 -27,-0.3 146,-0.1 -3,-0.0 -1,-0.1 0.830 89.4-137.4-110.6 -50.3 42.6 12.1 41.1 68 68 A G S > S+ 0 0 0 144,-0.1 4,-2.2 -28,-0.1 5,-0.1 0.147 75.1 104.0 114.3 -25.4 44.5 11.2 44.3 69 69 A H H > S+ 0 0 39 2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.950 84.6 46.0 -54.5 -50.9 46.4 14.5 44.8 70 70 A G H > S+ 0 0 0 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.895 111.2 53.3 -57.7 -43.4 44.1 15.6 47.5 71 71 A T H > S+ 0 0 0 2,-0.2 4,-2.2 1,-0.2 140,-0.3 0.916 108.8 49.9 -59.6 -38.0 44.3 12.3 49.2 72 72 A H H X S+ 0 0 0 -4,-2.2 4,-1.9 2,-0.2 139,-0.4 0.955 112.4 44.7 -67.9 -51.1 48.1 12.4 49.2 73 73 A C H X S+ 0 0 0 -4,-2.5 4,-1.8 1,-0.2 -1,-0.2 0.886 111.9 53.8 -58.1 -47.0 48.3 15.8 50.7 74 74 A A H X S+ 0 0 0 -4,-2.6 4,-2.7 -5,-0.2 5,-0.3 0.901 106.6 53.0 -52.1 -48.2 45.7 15.0 53.3 75 75 A G H X S+ 0 0 0 -4,-2.2 4,-2.2 1,-0.2 -2,-0.2 0.903 106.4 52.2 -60.5 -36.0 47.7 11.9 54.3 76 76 A T H < S+ 0 0 0 -4,-1.9 8,-2.1 1,-0.2 -1,-0.2 0.883 111.3 49.1 -68.3 -32.7 50.9 14.0 54.8 77 77 A V H < S- 0 0 0 -4,-1.8 8,-2.9 6,-0.2 -2,-0.2 0.954 138.5 -17.1 -67.8 -55.8 48.9 16.3 57.1 78 78 A G H < S+ 0 0 0 -4,-2.7 -3,-0.2 5,-0.2 -2,-0.2 0.321 81.2 132.5-151.4 29.5 47.3 13.7 59.2 79 79 A S X - 0 0 0 -4,-2.2 4,-1.5 -5,-0.3 -30,-0.2 -0.424 62.3-112.6 -73.9 162.0 47.2 10.1 58.2 80 80 A R T 4 S+ 0 0 144 -32,-2.7 -1,-0.1 1,-0.2 6,-0.1 0.941 109.2 21.6 -56.7 -54.8 48.3 7.5 60.8 81 81 A T T 4 S+ 0 0 38 -33,-0.1 -1,-0.2 1,-0.1 5,-0.0 0.784 135.0 32.4 -87.9 -31.7 51.5 6.3 59.1 82 82 A Y T 4 S+ 0 0 36 -34,-0.1 2,-0.2 -7,-0.1 -2,-0.2 0.453 96.3 98.9-110.6 4.0 52.3 9.2 56.8 83 83 A G < - 0 0 0 -4,-1.5 3,-0.3 1,-0.1 -6,-0.2 -0.543 58.8-145.4-102.4 160.3 51.1 12.2 58.6 84 84 A V S S+ 0 0 0 -8,-2.1 2,-0.7 1,-0.3 -6,-0.2 0.912 100.2 37.1 -79.1 -44.5 52.6 15.0 60.7 85 85 A A S > S- 0 0 0 -8,-2.9 3,-1.8 -9,-0.2 -1,-0.3 -0.821 74.0-173.7-116.9 88.5 49.7 15.5 63.0 86 86 A K T 3 S+ 0 0 14 -2,-0.7 -56,-0.1 -3,-0.3 -1,-0.1 0.536 78.6 41.4 -65.4 -13.5 48.3 12.0 63.5 87 87 A K T 3 S+ 0 0 103 -58,-2.6 -55,-0.5 2,-0.1 -1,-0.3 0.189 83.9 123.4-124.0 20.3 45.3 13.0 65.5 88 88 A T < - 0 0 0 -3,-1.8 2,-0.4 -59,-0.3 -54,-0.2 -0.399 63.3-117.0 -84.5 151.5 44.1 16.0 63.6 89 89 A Q E -c 34 0B 57 -56,-2.0 -54,-2.5 -59,-0.3 2,-0.4 -0.748 31.3-151.5 -85.8 131.7 40.6 16.3 62.2 90 90 A L E -cd 35 53B 0 -38,-3.5 -36,-1.3 -2,-0.4 2,-0.4 -0.927 12.4-171.1-113.9 141.6 40.6 16.6 58.3 91 91 A F E -cd 36 54B 9 -56,-2.2 -54,-3.0 -2,-0.4 2,-0.5 -0.987 14.0-144.1-128.6 129.5 38.1 18.4 56.1 92 92 A G E -cd 37 55B 0 -38,-2.8 -36,-2.6 -2,-0.4 -35,-1.3 -0.780 13.8-175.1 -99.6 135.6 38.1 18.2 52.4 93 93 A V E -cd 38 57B 0 -56,-2.3 -54,-1.8 -2,-0.5 2,-1.2 -0.969 16.9-149.8-123.5 110.3 37.1 21.0 50.0 94 94 A K E +cd 39 58B 3 -37,-2.5 -35,-1.9 -2,-0.5 -54,-0.2 -0.717 41.2 142.5 -89.3 95.1 37.1 19.9 46.3 95 95 A V + 0 0 0 -56,-1.8 2,-0.4 -2,-1.2 8,-0.2 0.477 59.0 72.9 -99.6 -18.9 38.0 22.9 44.3 96 96 A L S S- 0 0 12 -57,-2.2 6,-0.2 -3,-0.2 -37,-0.1 -0.878 78.7-129.4 -97.4 143.9 40.1 20.8 41.8 97 97 A D > - 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