==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=19-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 21-JUL-08 3DW3 . COMPND 2 MOLECULE: PROTEINASE K; . SOURCE 2 ORGANISM_SCIENTIFIC: TRITIRACHIUM ALBUM; . AUTHOR E.PECHKOVA,S.K.TRIPATHI,C.NICOLINI . 279 1 2 2 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10268.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 186 66.7 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 . 32 11.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 60 21.5 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 0 1 0 1 0 1 0 1 0 1 0 0 1 0 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 X A 0 0 31 0, 0.0 24,-1.8 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 152.5 -9.4 12.7 -17.7 2 2 X A E -A 24 0A 65 22,-0.2 2,-0.6 277,-0.0 22,-0.2 -0.997 360.0-166.4-131.5 128.6 -7.6 10.4 -15.2 3 3 X Q E > -A 23 0A 31 20,-2.7 20,-2.3 -2,-0.4 3,-0.7 -0.949 20.3-148.7-111.0 107.6 -6.1 11.4 -11.8 4 4 X T T 3 S+ 0 0 99 -2,-0.6 18,-0.2 1,-0.2 -2,-0.0 -0.397 76.1 16.9 -76.4 154.6 -3.8 8.6 -10.6 5 5 X N T 3 S+ 0 0 140 1,-0.1 -1,-0.2 -2,-0.1 17,-0.2 0.870 88.3 169.3 50.0 43.2 -3.4 7.9 -6.9 6 6 X A < - 0 0 9 15,-2.5 -1,-0.1 -3,-0.7 76,-0.1 -0.391 47.9 -80.1 -73.9 157.6 -6.5 9.9 -6.1 7 7 X P >> - 0 0 20 0, 0.0 4,-1.9 0, 0.0 3,-0.9 -0.328 49.2-111.5 -53.6 145.0 -8.1 9.9 -2.7 8 8 X W H 3> S+ 0 0 26 1,-0.3 4,-2.5 199,-0.2 12,-0.2 0.825 114.8 58.2 -54.1 -35.6 -10.2 6.7 -2.4 9 9 X G H 3> S+ 0 0 1 2,-0.2 4,-2.0 1,-0.2 -1,-0.3 0.866 105.4 48.2 -65.2 -39.0 -13.5 8.6 -2.4 10 10 X L H <> S+ 0 0 0 -3,-0.9 4,-0.9 2,-0.2 14,-0.3 0.939 112.9 48.5 -65.0 -47.3 -12.8 10.2 -5.7 11 11 X A H >< S+ 0 0 0 -4,-1.9 3,-0.8 1,-0.2 -2,-0.2 0.905 110.6 53.3 -57.2 -40.0 -11.8 6.9 -7.3 12 12 X R H >< S+ 0 0 5 -4,-2.5 3,-1.7 1,-0.2 -1,-0.2 0.897 101.5 57.7 -63.8 -42.2 -15.0 5.4 -5.8 13 13 X I H 3< S+ 0 0 0 -4,-2.0 262,-3.1 1,-0.3 263,-0.3 0.684 111.9 41.7 -65.6 -19.5 -17.3 8.0 -7.3 14 14 X S T << S+ 0 0 8 -4,-0.9 2,-0.4 -3,-0.8 -1,-0.3 0.127 105.4 85.2-111.3 20.9 -16.1 7.1 -10.8 15 15 X S < - 0 0 15 -3,-1.7 242,-0.1 1,-0.1 261,-0.1 -0.944 62.1-151.2-128.9 144.4 -16.0 3.3 -10.4 16 16 X T S S+ 0 0 95 -2,-0.4 -1,-0.1 1,-0.1 -4,-0.1 0.503 91.8 42.1 -80.4 -7.0 -18.4 0.4 -10.6 17 17 X S S S- 0 0 54 -5,-0.1 3,-0.4 240,-0.0 -3,-0.1 -0.989 80.8-119.2-139.5 150.8 -16.2 -1.3 -8.0 18 18 X P S S+ 0 0 57 0, 0.0 168,-0.1 0, 0.0 167,-0.1 -0.309 84.8 57.3 -72.3 167.4 -14.4 -0.5 -4.7 19 19 X G S S+ 0 0 76 166,-0.4 2,-0.3 1,-0.3 167,-0.1 0.630 74.4 115.5 89.5 16.2 -10.6 -1.0 -4.4 20 20 X T - 0 0 60 -3,-0.4 -1,-0.3 -12,-0.2 -9,-0.1 -0.756 47.0-158.1-114.0 168.1 -9.3 1.3 -7.2 21 21 X S + 0 0 60 -2,-0.3 -15,-2.5 -10,-0.1 2,-0.5 0.290 59.3 90.9-132.7 7.4 -7.2 4.4 -7.0 22 22 X T - 0 0 23 -17,-0.2 2,-0.5 -18,-0.2 -18,-0.2 -0.934 60.3-145.3-112.0 131.5 -7.7 6.4 -10.2 23 23 X Y E -A 3 0A 0 -20,-2.3 -20,-2.7 -2,-0.5 2,-0.4 -0.849 14.6-163.6 -94.9 124.3 -10.4 9.1 -10.5 24 24 X Y E +A 2 0A 94 -2,-0.5 2,-0.3 -14,-0.3 -22,-0.2 -0.936 21.2 150.6-110.6 131.3 -12.0 9.4 -14.0 25 25 X Y - 0 0 29 -24,-1.8 2,-0.2 -2,-0.4 -11,-0.0 -0.995 50.0 -90.5-157.6 151.8 -14.0 12.5 -15.0 26 26 X D > - 0 0 51 -2,-0.3 3,-2.0 1,-0.1 4,-0.1 -0.477 39.9-123.3 -65.0 135.7 -15.0 14.6 -17.9 27 27 X E T 3 S+ 0 0 106 1,-0.3 -1,-0.1 -2,-0.2 4,-0.1 0.675 104.0 79.7 -57.0 -23.7 -12.4 17.5 -18.4 28 28 X S T > S- 0 0 40 1,-0.1 3,-2.5 2,-0.1 -1,-0.3 0.864 74.7-175.5 -54.5 -37.4 -15.2 20.1 -18.1 29 29 X A T < - 0 0 0 -3,-2.0 58,-3.0 1,-0.3 59,-0.4 0.730 65.8 -53.0 54.0 35.2 -14.9 19.4 -14.4 30 30 X G T > S+ 0 0 0 206,-0.4 3,-2.0 1,-0.2 59,-0.3 0.615 84.4 167.4 77.0 11.9 -17.7 21.6 -13.2 31 31 X Q T < + 0 0 130 -3,-2.5 -1,-0.2 1,-0.3 57,-0.2 -0.361 67.7 22.9 -59.0 134.0 -16.5 24.7 -15.0 32 32 X G T 3 S+ 0 0 23 55,-0.5 93,-2.7 1,-0.4 94,-0.6 0.404 104.4 103.1 87.8 -3.2 -19.3 27.4 -15.1 33 33 X S E < -b 126 0B 1 -3,-2.0 56,-1.7 92,-0.2 -1,-0.4 -0.603 58.3-145.9 -99.8 168.9 -21.0 25.9 -12.0 34 34 X a E -bc 127 89B 0 92,-1.8 94,-2.3 -2,-0.2 2,-0.5 -0.998 7.0-164.0-136.2 141.1 -20.9 27.3 -8.4 35 35 X V E -bc 128 90B 0 54,-2.9 56,-2.4 -2,-0.4 2,-0.4 -0.984 8.8-152.3-127.9 121.7 -20.9 25.5 -5.1 36 36 X Y E -bc 129 91B 0 92,-3.0 94,-3.1 -2,-0.5 2,-0.6 -0.776 6.0-156.3 -85.9 132.6 -21.7 27.3 -1.8 37 37 X V E -bc 130 92B 1 54,-2.8 56,-2.3 -2,-0.4 2,-0.8 -0.951 5.5-163.9-112.7 109.0 -20.0 25.7 1.2 38 38 X I E + c 0 93B 0 92,-2.3 94,-0.5 -2,-0.6 56,-0.2 -0.846 51.7 84.4-100.8 104.3 -22.1 26.7 4.3 39 39 X D E S- c 0 94B 1 54,-2.2 57,-2.2 -2,-0.8 56,-1.4 -0.598 97.2 -32.2-168.6-147.6 -19.8 25.9 7.1 40 40 X T S S- 0 0 0 1,-0.4 26,-0.4 54,-0.2 27,-0.2 0.363 98.4 -93.2 -83.3 4.6 -16.9 27.3 9.2 41 41 X G - 0 0 0 52,-0.3 -1,-0.4 -4,-0.2 2,-0.3 -0.622 38.0 -92.2 111.1-177.1 -15.5 29.2 6.1 42 42 X I - 0 0 4 21,-0.5 2,-1.7 -2,-0.2 3,-0.1 -0.985 19.8-130.3-139.8 129.9 -13.0 28.4 3.4 43 43 X E > - 0 0 39 -2,-0.3 3,-1.9 1,-0.2 6,-0.2 -0.635 30.4-175.7 -75.8 88.2 -9.3 29.2 3.4 44 44 X A T 3 S+ 0 0 33 -2,-1.7 7,-0.5 1,-0.3 9,-0.4 0.758 73.2 66.1 -64.1 -24.3 -9.4 30.7 -0.1 45 45 X S T 3 S+ 0 0 103 -3,-0.1 -1,-0.3 5,-0.1 5,-0.1 0.557 70.5 120.9 -74.0 -9.0 -5.6 31.3 -0.2 46 46 X H X> - 0 0 10 -3,-1.9 3,-2.4 1,-0.2 4,-0.5 -0.383 68.8-133.8 -58.9 125.8 -5.0 27.6 -0.1 47 47 X P G >4 S+ 0 0 105 0, 0.0 3,-1.2 0, 0.0 -1,-0.2 0.803 102.1 70.6 -50.7 -30.3 -3.0 26.7 -3.3 48 48 X E G 34 S+ 0 0 24 1,-0.2 32,-2.6 2,-0.1 33,-0.1 0.706 94.2 54.4 -60.7 -21.4 -5.4 23.8 -3.8 49 49 X F G X4 S- 0 0 0 -3,-2.4 3,-2.5 30,-0.2 -1,-0.2 0.629 90.3-150.8 -90.4 -16.0 -8.2 26.2 -4.7 50 50 X E T << - 0 0 98 -3,-1.2 -2,-0.1 -4,-0.5 -5,-0.1 0.765 68.1 -56.9 57.0 31.0 -6.2 28.0 -7.5 51 51 X G T 3 S+ 0 0 65 -7,-0.5 -1,-0.3 -5,-0.4 -6,-0.1 0.465 116.7 110.8 79.9 1.6 -8.1 31.3 -6.9 52 52 X R < + 0 0 22 -3,-2.5 38,-3.0 26,-0.1 2,-0.3 0.468 61.7 77.7 -86.9 -3.7 -11.5 29.6 -7.5 53 53 X A E +d 90 0B 5 -9,-0.4 2,-0.3 36,-0.2 38,-0.2 -0.845 54.0 167.2-107.7 146.4 -12.6 29.9 -3.9 54 54 X Q E -d 91 0B 100 36,-1.7 38,-2.9 -2,-0.3 2,-0.4 -0.981 34.8-122.3-152.0 143.2 -13.8 33.1 -2.2 55 55 X M E +d 92 0B 42 -2,-0.3 38,-0.2 36,-0.2 3,-0.1 -0.762 30.3 171.2 -80.6 131.5 -15.6 34.0 1.1 56 56 X V E + 0 0 28 36,-2.8 2,-0.3 -2,-0.4 37,-0.2 0.560 59.7 15.4-115.5 -15.5 -18.9 35.8 0.4 57 57 X K E +d 93 0B 74 35,-1.4 37,-3.0 6,-0.1 -1,-0.3 -0.963 50.3 176.3-162.3 140.0 -20.4 36.0 3.9 58 58 X T E -d 94 0B 38 -2,-0.3 37,-0.1 35,-0.2 5,-0.1 -0.977 19.4-161.8-138.3 155.7 -19.8 35.6 7.6 59 59 X Y S S+ 0 0 69 35,-1.4 2,-0.2 -2,-0.3 36,-0.1 0.209 76.8 69.7-112.6 10.6 -21.9 36.1 10.7 60 60 X Y S S- 0 0 31 2,-0.4 -2,-0.1 34,-0.2 34,-0.1 -0.589 103.1 -86.2-124.5-179.2 -18.9 36.4 12.9 61 61 X Y S S+ 0 0 230 -2,-0.2 2,-0.3 2,-0.1 -3,-0.0 0.685 111.5 26.1 -71.8 -14.9 -16.1 38.8 13.6 62 62 X S - 0 0 54 2,-0.1 -2,-0.4 1,-0.1 -3,-0.2 -0.967 59.8-144.4-141.1 157.6 -14.0 37.2 10.8 63 63 X S + 0 0 51 -2,-0.3 -21,-0.5 -5,-0.1 -6,-0.1 0.427 67.9 118.3 -93.7 -3.5 -14.6 35.3 7.5 64 64 X R S S- 0 0 66 -23,-0.1 2,-1.2 1,-0.1 -2,-0.1 -0.368 71.2-124.6 -65.9 138.5 -11.5 33.2 8.2 65 65 X D + 0 0 10 1,-0.2 -24,-0.1 -23,-0.1 -1,-0.1 -0.757 36.1 169.9 -79.5 98.4 -11.9 29.5 8.7 66 66 X G S S+ 0 0 38 -2,-1.2 -1,-0.2 -26,-0.4 -25,-0.1 0.267 73.2 49.2 -91.4 10.7 -10.2 29.1 12.1 67 67 X N S S- 0 0 45 -27,-0.2 146,-0.1 30,-0.0 -1,-0.1 0.785 89.2-138.0-110.4 -56.5 -11.4 25.5 12.4 68 68 X G S > S+ 0 0 0 144,-0.1 4,-2.5 -28,-0.1 5,-0.2 -0.058 76.0 99.0 117.1 -30.0 -10.6 23.7 9.1 69 69 X H H > S+ 0 0 30 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.910 84.5 48.6 -66.2 -36.0 -13.7 21.7 8.6 70 70 X G H > S+ 0 0 0 1,-0.2 4,-2.7 2,-0.2 -1,-0.2 0.893 112.4 50.1 -62.0 -41.2 -15.2 24.1 6.0 71 71 X T H > S+ 0 0 0 2,-0.2 4,-2.0 1,-0.2 140,-0.3 0.880 110.5 50.0 -63.3 -39.9 -11.9 24.1 4.2 72 72 X H H X S+ 0 0 0 -4,-2.5 4,-1.8 2,-0.2 139,-0.4 0.955 112.5 46.2 -63.1 -50.6 -11.9 20.3 4.2 73 73 X C H X S+ 0 0 0 -4,-2.6 4,-1.9 1,-0.2 3,-0.2 0.927 112.2 50.4 -58.5 -47.4 -15.4 20.1 2.8 74 74 X A H X S+ 0 0 0 -4,-2.7 4,-2.7 1,-0.2 5,-0.3 0.874 107.1 56.6 -58.7 -37.9 -14.7 22.8 0.1 75 75 X G H X S+ 0 0 0 -4,-2.0 4,-2.0 1,-0.2 -1,-0.2 0.878 105.6 49.3 -60.5 -40.1 -11.6 20.8 -0.8 76 76 X T H < S+ 0 0 1 -4,-1.8 8,-2.3 -3,-0.2 -1,-0.2 0.853 113.5 48.3 -70.7 -33.2 -13.7 17.7 -1.5 77 77 X V H < S- 0 0 0 -4,-1.9 8,-3.0 6,-0.2 -2,-0.2 0.969 137.7 -13.0 -64.5 -52.9 -16.1 19.7 -3.6 78 78 X G H < S+ 0 0 0 -4,-2.7 -3,-0.2 5,-0.2 -2,-0.2 0.314 81.4 131.1-148.0 11.4 -13.6 21.5 -5.7 79 79 X S X - 0 0 0 -4,-2.0 4,-1.6 -5,-0.3 -30,-0.2 -0.383 62.3-116.2 -69.4 156.6 -9.9 21.4 -4.9 80 80 X R T 4 S+ 0 0 143 -32,-2.6 -1,-0.1 1,-0.2 6,-0.1 0.901 109.4 21.1 -59.5 -44.3 -7.5 20.5 -7.7 81 81 X T T 4 S+ 0 0 33 -33,-0.1 -1,-0.2 1,-0.1 5,-0.1 0.861 135.3 32.4 -93.0 -40.9 -6.2 17.3 -6.0 82 82 X Y T 4 S+ 0 0 37 -76,-0.1 2,-0.2 -34,-0.1 -2,-0.2 0.443 98.5 100.9-102.0 0.1 -8.9 16.4 -3.5 83 83 X G < - 0 0 0 -4,-1.6 3,-0.3 1,-0.1 -6,-0.2 -0.588 57.8-150.8-100.5 151.2 -12.0 17.7 -5.3 84 84 X V S S+ 0 0 0 -8,-2.3 2,-0.7 1,-0.2 -6,-0.2 0.900 100.1 38.4 -72.4 -47.0 -14.8 16.1 -7.4 85 85 X A S > S- 0 0 0 -8,-3.0 3,-1.5 -9,-0.2 -1,-0.2 -0.827 73.2-176.9-113.7 88.0 -15.5 19.2 -9.5 86 86 X K T 3 S+ 0 0 9 -2,-0.7 -56,-0.2 1,-0.3 -1,-0.1 0.499 78.2 40.9 -76.2 -5.4 -12.0 20.6 -10.1 87 87 X K T 3 S+ 0 0 84 -58,-3.0 -55,-0.5 2,-0.1 -1,-0.3 0.253 86.0 119.0-123.3 10.8 -13.0 23.7 -12.1 88 88 X T < - 0 0 0 -3,-1.5 2,-0.5 -59,-0.4 -54,-0.2 -0.294 66.8-113.9 -71.0 160.2 -16.1 24.8 -10.1 89 89 X Q E -c 34 0B 68 -56,-1.7 -54,-2.9 -59,-0.3 2,-0.5 -0.854 30.2-149.4 -93.4 132.7 -16.3 28.2 -8.3 90 90 X L E -cd 35 53B 0 -38,-3.0 -36,-1.7 -2,-0.5 2,-0.5 -0.903 11.4-169.5-110.3 129.3 -16.5 27.9 -4.5 91 91 X F E -cd 36 54B 10 -56,-2.4 -54,-2.8 -2,-0.5 2,-0.4 -0.974 12.3-147.3-120.4 121.4 -18.3 30.4 -2.3 92 92 X G E -cd 37 55B 0 -38,-2.9 -36,-2.8 -2,-0.5 -35,-1.4 -0.739 13.2-175.3 -92.6 132.7 -17.8 30.3 1.5 93 93 X V E -cd 38 57B 0 -56,-2.3 -54,-2.2 -2,-0.4 2,-1.3 -0.968 17.0-149.2-124.8 109.0 -20.6 31.2 3.9 94 94 X K E +cd 39 58B 5 -37,-3.0 -35,-1.4 -2,-0.5 -54,-0.2 -0.661 41.2 144.0 -87.2 89.8 -19.4 31.1 7.5 95 95 X V + 0 0 0 -56,-1.4 2,-0.4 -2,-1.3 -55,-0.2 0.527 61.2 69.2 -94.9 -12.9 -22.5 30.2 9.6 96 96 X L S S- 0 0 7 -57,-2.2 6,-0.2 -3,-0.2 -57,-0.1 -0.900 79.8-130.7-110.2 137.9 -20.3 28.1 12.0 97 97 X D > - 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