==== 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 20-JUL-08 3DVS . 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) . 10258.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 187 67.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 41 14.7 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 1 3 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 0.000 360.0 360.0 360.0 152.1 -9.4 12.7 -17.6 2 2 X A E -A 24 0A 65 22,-0.2 2,-0.6 277,-0.0 22,-0.2 -0.997 360.0-165.5-133.5 126.7 -7.6 10.4 -15.1 3 3 X Q E > -A 23 0A 31 20,-2.7 20,-2.3 -2,-0.4 3,-0.6 -0.946 20.7-147.4-109.4 108.9 -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 -0.407 76.0 15.9 -76.6 154.7 -3.8 8.6 -10.5 5 5 X N T 3 S+ 0 0 139 1,-0.1 -1,-0.2 -2,-0.1 17,-0.2 0.875 88.1 170.2 48.9 44.6 -3.4 7.9 -6.8 6 6 X A < - 0 0 9 15,-2.5 -1,-0.1 -3,-0.6 76,-0.1 -0.381 47.2 -79.9 -74.4 158.5 -6.5 9.9 -6.1 7 7 X P >> - 0 0 20 0, 0.0 4,-1.9 0, 0.0 3,-0.8 -0.337 49.5-111.0 -54.7 146.1 -8.1 9.9 -2.6 8 8 X W H 3> S+ 0 0 26 1,-0.2 4,-2.5 199,-0.2 12,-0.2 0.823 114.8 57.8 -53.4 -36.2 -10.1 6.7 -2.3 9 9 X G H 3> S+ 0 0 1 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.874 105.6 48.3 -65.7 -40.1 -13.5 8.6 -2.3 10 10 X L H <> S+ 0 0 0 -3,-0.8 4,-0.9 2,-0.2 14,-0.3 0.940 112.6 48.9 -63.6 -46.8 -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 0.910 110.5 52.7 -57.7 -40.7 -11.8 6.9 -7.2 12 12 X R H >< S+ 0 0 5 -4,-2.5 3,-1.8 1,-0.2 -1,-0.2 0.896 101.2 59.1 -63.4 -41.4 -15.0 5.4 -5.7 13 13 X I H 3< S+ 0 0 0 -4,-2.0 262,-3.1 1,-0.3 263,-0.3 0.693 111.6 40.6 -65.1 -20.1 -17.2 8.0 -7.2 14 14 X S T << S+ 0 0 8 -4,-0.9 2,-0.4 -3,-0.8 -1,-0.3 0.103 106.0 83.6-112.3 22.4 -16.1 7.1 -10.8 15 15 X S < - 0 0 17 -3,-1.8 242,-0.1 1,-0.1 261,-0.1 -0.947 62.8-149.6-129.4 145.9 -16.0 3.3 -10.3 16 16 X T S S+ 0 0 92 -2,-0.4 -1,-0.1 2,-0.1 -4,-0.1 0.607 91.0 41.4 -79.2 -12.9 -18.4 0.4 -10.4 17 17 X S S S- 0 0 53 -5,-0.0 3,-0.4 240,-0.0 -3,-0.1 -0.955 81.4-116.5-136.0 154.2 -16.3 -1.4 -7.8 18 18 X P S S+ 0 0 56 0, 0.0 168,-0.1 0, 0.0 167,-0.1 -0.312 84.7 56.5 -73.6 167.0 -14.3 -0.6 -4.6 19 19 X G S S+ 0 0 76 166,-0.4 2,-0.2 1,-0.3 167,-0.1 0.605 74.3 115.9 91.2 14.5 -10.6 -1.0 -4.3 20 20 X T - 0 0 61 -3,-0.4 -1,-0.3 -12,-0.2 -9,-0.1 -0.728 46.4-158.5-112.8 167.6 -9.3 1.3 -7.1 21 21 X S + 0 0 59 -2,-0.2 -15,-2.5 -10,-0.1 2,-0.5 0.297 58.7 91.0-133.2 9.3 -7.2 4.4 -6.9 22 22 X T - 0 0 24 -17,-0.2 2,-0.5 -18,-0.2 -18,-0.2 -0.936 60.3-144.7-112.8 131.9 -7.7 6.4 -10.1 23 23 X Y E -A 3 0A 0 -20,-2.3 -20,-2.7 -2,-0.5 2,-0.4 -0.838 15.1-164.2 -95.0 122.9 -10.4 9.1 -10.4 24 24 X Y E +A 2 0A 96 -2,-0.5 2,-0.3 -14,-0.3 253,-0.2 -0.931 21.1 150.1-109.8 131.0 -11.9 9.4 -14.0 25 25 X Y - 0 0 29 -24,-1.8 2,-0.2 -2,-0.4 -11,-0.0 -0.996 50.2 -89.9-157.9 153.2 -13.9 12.4 -14.9 26 26 X D > - 0 0 54 -2,-0.3 3,-2.1 1,-0.1 4,-0.1 -0.473 39.7-123.3 -66.6 135.8 -14.9 14.6 -17.9 27 27 X E T 3 S+ 0 0 105 1,-0.3 -1,-0.1 -2,-0.2 0, 0.0 0.681 103.8 81.8 -57.2 -22.5 -12.4 17.4 -18.4 28 28 X S T > S- 0 0 36 1,-0.1 3,-2.3 2,-0.1 -1,-0.3 0.875 72.9-176.3 -48.1 -43.4 -15.3 19.9 -18.0 29 29 X A T < - 0 0 0 -3,-2.1 58,-3.1 1,-0.3 59,-0.4 0.727 65.9 -55.4 53.3 34.2 -14.8 19.4 -14.3 30 30 X G T > S+ 0 0 0 206,-0.4 3,-2.1 1,-0.2 59,-0.3 0.612 83.4 168.1 77.7 11.5 -17.7 21.6 -13.2 31 31 X Q T < + 0 0 134 -3,-2.3 -1,-0.2 1,-0.3 57,-0.2 -0.355 67.3 23.7 -59.0 134.0 -16.6 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 0.397 104.6 101.5 88.8 -3.8 -19.3 27.3 -15.1 33 33 X S E < -b 126 0B 1 -3,-2.1 56,-1.8 92,-0.2 -1,-0.4 -0.625 58.1-148.1-101.2 168.0 -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 -0.997 5.1-161.3-136.7 143.9 -20.8 27.2 -8.4 35 35 X V E -bc 128 90B 0 54,-2.9 56,-2.4 -2,-0.3 2,-0.5 -0.986 9.0-150.6-127.0 122.1 -20.9 25.5 -5.0 36 36 X Y E -bc 129 91B 0 92,-3.1 94,-3.1 -2,-0.5 2,-0.7 -0.771 7.5-156.4 -84.3 130.2 -21.7 27.3 -1.8 37 37 X V E -bc 130 92B 0 54,-2.8 56,-2.4 -2,-0.5 2,-0.8 -0.945 5.7-164.4-110.6 109.9 -20.1 25.7 1.2 38 38 X I E + c 0 93B 0 92,-2.2 94,-0.5 -2,-0.7 56,-0.2 -0.846 51.1 83.8-102.5 104.1 -22.1 26.7 4.2 39 39 X D E S- c 0 94B 0 54,-2.2 57,-2.2 -2,-0.8 56,-1.5 -0.572 97.5 -31.7-168.9-146.0 -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 0.373 98.1 -94.3 -85.7 3.1 -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 -0.607 38.0 -92.0 111.8-176.3 -15.6 29.2 6.1 42 42 X I - 0 0 4 21,-0.5 2,-1.7 -2,-0.2 3,-0.1 -0.989 18.7-130.4-140.2 131.9 -13.0 28.4 3.5 43 43 X E > - 0 0 43 -2,-0.3 3,-2.1 1,-0.2 6,-0.2 -0.626 31.1-175.9 -77.6 86.9 -9.3 29.2 3.4 44 44 X A T 3 S+ 0 0 32 -2,-1.7 7,-0.5 1,-0.3 9,-0.4 0.748 72.9 65.5 -63.5 -24.2 -9.5 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 0.526 70.4 122.3 -75.8 -6.6 -5.7 31.3 -0.3 46 46 X H X> - 0 0 10 -3,-2.1 3,-2.3 1,-0.2 4,-0.5 -0.391 68.7-133.0 -57.3 126.5 -5.0 27.6 -0.1 47 47 X P G >4 S+ 0 0 104 0, 0.0 3,-1.3 0, 0.0 -1,-0.2 0.811 102.3 70.5 -51.1 -31.3 -3.0 26.7 -3.3 48 48 X E G 34 S+ 0 0 14 1,-0.3 32,-2.6 2,-0.1 33,-0.1 0.705 94.1 54.6 -60.4 -21.7 -5.4 23.8 -3.8 49 49 X F G X4 S- 0 0 0 -3,-2.3 3,-2.6 30,-0.2 -1,-0.3 0.614 90.5-150.3 -90.3 -14.4 -8.2 26.2 -4.7 50 50 X E T << - 0 0 101 -3,-1.3 -2,-0.1 -4,-0.5 -5,-0.1 0.794 67.8 -56.6 55.1 33.3 -6.2 28.0 -7.5 51 51 X G T 3 S+ 0 0 66 -7,-0.5 -1,-0.3 -5,-0.4 -6,-0.1 0.458 116.2 110.8 79.6 0.4 -8.1 31.2 -6.9 52 52 X R < + 0 0 24 -3,-2.6 38,-3.0 26,-0.1 2,-0.4 0.461 60.6 80.1 -87.1 -3.0 -11.5 29.6 -7.5 53 53 X A E +d 90 0B 6 -9,-0.4 2,-0.3 36,-0.2 38,-0.2 -0.850 53.0 168.9-107.5 145.1 -12.6 30.0 -3.8 54 54 X Q E -d 91 0B 100 36,-1.9 38,-2.9 -2,-0.4 2,-0.4 -0.984 33.7-125.5-150.5 138.4 -13.9 33.1 -2.2 55 55 X M E +d 92 0B 41 -2,-0.3 38,-0.2 36,-0.2 3,-0.1 -0.736 30.0 171.7 -78.0 131.5 -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 0.580 59.1 13.3-115.8 -15.7 -18.9 35.8 0.4 57 57 X K E +d 93 0B 75 35,-1.4 37,-2.9 6,-0.1 -1,-0.3 -0.966 51.0 176.9-163.1 140.8 -20.5 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 -0.979 19.9-160.4-140.5 155.5 -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 0.206 76.8 70.2-112.8 11.2 -21.9 36.1 10.7 60 60 X Y S S- 0 0 32 2,-0.3 -2,-0.1 34,-0.2 34,-0.1 -0.619 102.7 -86.8-124.8 179.2 -18.9 36.4 12.9 61 61 X Y S S+ 0 0 229 -2,-0.2 2,-0.3 2,-0.1 -3,-0.0 0.655 111.5 26.3 -71.5 -12.4 -16.1 38.9 13.5 62 62 X S - 0 0 55 2,-0.1 -2,-0.3 32,-0.1 -3,-0.2 -0.978 59.9-145.3-143.0 157.1 -14.1 37.3 10.7 63 63 X S + 0 0 50 -2,-0.3 -21,-0.5 -5,-0.1 2,-0.1 0.409 67.3 117.2 -96.2 -0.8 -14.7 35.3 7.6 64 64 X R S S- 0 0 67 -23,-0.1 2,-1.1 1,-0.1 -2,-0.1 -0.411 72.4-122.4 -68.4 139.7 -11.5 33.3 8.2 65 65 X D + 0 0 10 1,-0.2 -24,-0.1 -2,-0.1 -1,-0.1 -0.751 36.5 170.6 -79.1 101.5 -11.9 29.5 8.7 66 66 X G S S+ 0 0 38 -2,-1.1 -1,-0.2 -26,-0.4 -25,-0.1 0.302 74.0 48.9 -93.5 8.6 -10.3 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 0.795 89.2-138.8-109.0 -56.1 -11.5 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 -0.041 75.8 99.8 116.6 -28.5 -10.6 23.7 9.1 69 69 X H H > S+ 0 0 29 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.911 83.9 48.4 -65.9 -37.8 -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 0.893 112.3 50.8 -61.6 -40.1 -15.2 24.2 6.0 71 71 X T H > S+ 0 0 0 2,-0.2 4,-2.0 1,-0.2 140,-0.3 0.883 109.8 49.8 -64.5 -38.9 -11.9 24.2 4.2 72 72 X H H X S+ 0 0 0 -4,-2.5 4,-1.8 2,-0.2 139,-0.4 0.945 112.4 46.7 -64.5 -48.3 -11.9 20.4 4.2 73 73 X C H X S+ 0 0 0 -4,-2.5 4,-1.9 1,-0.2 3,-0.2 0.931 112.0 50.5 -60.3 -46.7 -15.4 20.2 2.8 74 74 X A H X S+ 0 0 0 -4,-2.7 4,-2.7 1,-0.2 5,-0.3 0.875 107.2 56.1 -58.7 -38.1 -14.7 22.8 0.2 75 75 X G H X S+ 0 0 0 -4,-2.0 4,-2.0 1,-0.2 -1,-0.2 0.872 106.0 49.2 -61.4 -39.4 -11.6 20.8 -0.8 76 76 X T H < S+ 0 0 0 -4,-1.8 8,-2.4 -3,-0.2 9,-0.2 0.847 113.0 49.2 -71.5 -32.6 -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 0.967 138.0 -14.9 -64.7 -52.0 -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 0.297 81.2 132.3-151.4 15.8 -13.5 21.4 -5.8 79 79 X S X - 0 0 0 -4,-2.0 4,-1.6 -5,-0.3 -30,-0.2 -0.406 62.2-115.8 -70.9 155.9 -9.8 21.4 -4.8 80 80 X R T 4 S+ 0 0 137 -32,-2.6 -1,-0.1 1,-0.2 6,-0.1 0.897 109.5 22.1 -58.6 -44.0 -7.4 20.5 -7.6 81 81 X T T 4 S+ 0 0 37 -33,-0.1 -1,-0.2 1,-0.1 5,-0.0 0.859 135.0 31.6 -93.0 -39.4 -6.2 17.3 -5.9 82 82 X Y T 4 S+ 0 0 36 -76,-0.1 2,-0.2 -34,-0.1 -2,-0.2 0.434 98.3 100.6-104.6 0.6 -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 -0.595 57.8-150.3-100.4 151.3 -12.0 17.6 -5.3 84 84 X V S S+ 0 0 0 -8,-2.4 2,-0.8 -2,-0.2 -6,-0.2 0.903 99.8 39.0 -71.6 -46.7 -14.8 16.1 -7.3 85 85 X A S > S- 0 0 0 -8,-3.0 3,-1.5 -9,-0.2 -1,-0.2 -0.814 73.0-177.0-113.0 87.6 -15.5 19.2 -9.5 86 86 X K T 3 S+ 0 0 9 -2,-0.8 -56,-0.2 -3,-0.3 -1,-0.1 0.506 77.7 41.1 -76.2 -4.5 -12.0 20.6 -10.1 87 87 X K T 3 S+ 0 0 81 -58,-3.1 -55,-0.5 2,-0.1 -1,-0.3 0.278 86.0 118.8-123.1 9.2 -13.0 23.7 -12.0 88 88 X T < - 0 0 0 -3,-1.5 2,-0.4 -59,-0.4 -54,-0.2 -0.271 66.6-113.3 -69.4 160.0 -16.1 24.8 -10.0 89 89 X Q E -c 34 0B 71 -56,-1.8 -54,-2.9 -59,-0.3 2,-0.5 -0.835 29.5-148.8 -92.3 134.9 -16.3 28.1 -8.3 90 90 X L E -cd 35 53B 0 -38,-3.0 -36,-1.9 -2,-0.4 2,-0.5 -0.916 12.0-170.7-111.9 127.3 -16.5 27.9 -4.5 91 91 X F E -cd 36 54B 9 -56,-2.4 -54,-2.8 -2,-0.5 2,-0.4 -0.967 12.9-147.8-119.1 120.0 -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 -0.734 13.3-175.4 -92.3 132.2 -17.9 30.3 1.5 93 93 X V E -cd 38 57B 0 -56,-2.4 -54,-2.2 -2,-0.4 2,-1.2 -0.967 17.0-149.2-124.0 110.0 -20.7 31.2 3.9 94 94 X K E +cd 39 58B 4 -37,-2.9 -35,-1.4 -2,-0.5 -54,-0.2 -0.679 40.5 144.5 -89.0 93.4 -19.5 31.1 7.5 95 95 X V + 0 0 0 -56,-1.5 2,-0.4 -2,-1.2 -55,-0.2 0.513 60.5 68.9 -98.6 -12.0 -22.5 30.1 9.6 96 96 X L S S- 0 0 9 -57,-2.2 6,-0.2 -3,-0.2 -57,-0.1 -0.901 80.1-129.1-110.1 139.5 -20.4 28.1 12.1 97 97 X D > - 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