==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE/HYDROLASE INHIBITOR 19-JAN-93 1PEK . COMPND 2 MOLECULE: PROTEINASE K; . SOURCE 2 ORGANISM_SCIENTIFIC: TRITIRACHIUM ALBUM; . AUTHOR C.BETZEL,T.P.SINGH,M.VISANJI,K.PETERS,S.FITTKAU,W.SAENGER,K. . 285 3 2 2 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9792.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 192 67.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 39 13.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 17 6.0 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 . 1 0.4 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 . 23 8.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 32 11.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 59 20.7 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 3 1 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 E A 0 0 30 0, 0.0 24,-1.5 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 162.6 -9.4 11.9 -16.2 2 2 E A E -A 24 0A 59 22,-0.2 2,-0.7 20,-0.0 22,-0.2 -0.999 360.0-155.6-146.2 142.6 -7.8 10.0 -13.5 3 3 E Q E > -A 23 0A 27 20,-2.5 20,-2.6 -2,-0.4 3,-0.8 -0.964 24.1-144.1-120.2 113.4 -6.3 10.7 -10.2 4 4 E T T 3 S+ 0 0 107 -2,-0.7 18,-0.2 1,-0.3 -2,-0.0 -0.463 80.6 7.2 -73.1 147.0 -4.0 8.0 -9.2 5 5 E N T 3 S+ 0 0 137 -2,-0.2 -1,-0.3 1,-0.1 17,-0.2 0.883 91.9 172.9 41.3 53.6 -3.7 7.1 -5.6 6 6 E A < - 0 0 9 15,-2.9 -1,-0.1 -3,-0.8 76,-0.1 -0.420 47.7 -77.5 -77.5 167.6 -6.7 9.4 -4.9 7 7 E P >> - 0 0 22 0, 0.0 4,-1.9 0, 0.0 3,-1.7 -0.360 54.4-108.3 -62.1 144.1 -8.3 9.4 -1.5 8 8 E W H 3> S+ 0 0 48 1,-0.3 4,-2.3 2,-0.2 12,-0.1 0.767 114.6 54.3 -40.0 -46.2 -10.4 6.2 -1.3 9 9 E G H 3> S+ 0 0 0 2,-0.3 4,-1.7 1,-0.2 -1,-0.3 0.761 105.4 52.9 -69.6 -32.0 -13.9 8.0 -1.5 10 10 E L H <> S+ 0 0 1 -3,-1.7 4,-0.7 2,-0.2 14,-0.3 0.900 114.0 43.9 -69.0 -42.5 -12.9 9.8 -4.6 11 11 E A H >< S+ 0 0 0 -4,-1.9 3,-0.7 1,-0.2 -2,-0.3 0.865 110.9 55.8 -64.6 -38.8 -12.0 6.3 -5.9 12 12 E R H >< S+ 0 0 3 -4,-2.3 3,-1.3 1,-0.2 -1,-0.2 0.913 102.2 55.0 -61.0 -45.9 -15.2 4.9 -4.5 13 13 E I H 3< S+ 0 0 0 -4,-1.7 262,-2.7 1,-0.3 263,-0.4 0.616 111.6 43.4 -62.5 -26.8 -17.5 7.3 -6.3 14 14 E S T << S+ 0 0 9 -4,-0.7 2,-0.3 -3,-0.7 -1,-0.3 -0.026 108.7 76.7-110.0 19.5 -16.1 6.4 -9.6 15 15 E S < - 0 0 13 -3,-1.3 242,-0.1 -5,-0.1 4,-0.1 -0.976 60.3-154.5-131.5 144.9 -16.1 2.6 -8.9 16 16 E T S S+ 0 0 86 -2,-0.3 -1,-0.1 2,-0.1 -4,-0.1 0.607 89.4 48.6 -96.4 -8.7 -18.7 -0.1 -8.8 17 17 E S S S- 0 0 52 -5,-0.0 3,-0.5 240,-0.0 2,-0.1 -0.942 85.3-117.8-138.1 147.6 -16.4 -2.0 -6.3 18 18 E P S S+ 0 0 54 0, 0.0 168,-0.1 0, 0.0 167,-0.1 -0.248 86.6 55.5 -77.1 166.4 -14.6 -1.0 -3.2 19 19 E G S S+ 0 0 79 166,-0.4 2,-0.1 1,-0.3 -7,-0.1 0.366 70.8 125.3 92.8 -2.3 -10.8 -1.3 -3.1 20 20 E T - 0 0 51 -3,-0.5 -1,-0.3 -12,-0.1 -9,-0.1 -0.424 42.4-160.3 -88.4 165.1 -9.8 0.8 -6.0 21 21 E S + 0 0 63 -10,-0.1 -15,-2.9 -2,-0.1 2,-0.4 0.415 60.7 86.0-124.7 0.1 -7.4 3.8 -5.8 22 22 E T - 0 0 22 -17,-0.2 2,-0.6 -18,-0.2 -18,-0.2 -0.864 61.4-148.3-101.8 141.2 -7.9 5.8 -8.9 23 23 E Y E -A 3 0A 0 -20,-2.6 -20,-2.5 -2,-0.4 2,-0.5 -0.935 17.8-166.6-102.2 126.5 -10.6 8.5 -9.0 24 24 E Y E +A 2 0A 106 -2,-0.6 2,-0.3 -14,-0.3 253,-0.2 -0.943 21.5 149.8-116.1 129.2 -11.8 8.6 -12.7 25 25 E Y - 0 0 34 -24,-1.5 2,-0.3 -2,-0.5 60,-0.0 -0.930 50.6 -85.7-152.7 163.0 -13.9 11.7 -13.5 26 26 E D > - 0 0 46 -2,-0.3 3,-1.9 1,-0.1 4,-0.1 -0.521 35.9-126.1 -79.0 135.7 -14.7 13.9 -16.4 27 27 E E T 3 S+ 0 0 91 -2,-0.3 -1,-0.1 1,-0.3 -25,-0.0 0.658 102.8 76.3 -54.4 -23.6 -12.3 16.7 -16.9 28 28 E S T > S- 0 0 26 2,-0.1 3,-3.3 1,-0.1 -1,-0.3 0.839 76.0-178.1 -54.0 -34.2 -15.1 19.4 -16.8 29 29 E A T < - 0 0 0 -3,-1.9 58,-2.5 1,-0.3 59,-0.4 0.825 62.5 -49.8 40.0 47.5 -14.9 18.7 -13.2 30 30 E G T > S+ 0 0 0 206,-0.4 3,-2.0 1,-0.2 59,-0.3 0.526 85.8 158.7 79.3 -0.9 -17.7 21.0 -12.0 31 31 E Q T < + 0 0 103 -3,-3.3 -1,-0.2 1,-0.2 57,-0.2 -0.249 64.1 29.4 -64.8 143.1 -16.6 24.0 -13.8 32 32 E G T 3 S+ 0 0 29 1,-0.5 93,-2.2 55,-0.4 94,-0.4 0.242 102.3 98.5 101.8 -15.9 -19.4 26.5 -14.2 33 33 E S < - 0 0 1 -3,-2.0 56,-1.8 92,-0.2 -1,-0.5 -0.618 61.4-145.1 -98.8 161.4 -21.2 25.4 -11.1 34 34 E a E -bc 89 127B 1 92,-2.5 94,-2.4 -2,-0.2 2,-0.5 -0.950 6.3-162.3-130.8 143.5 -21.1 27.0 -7.9 35 35 E V E -bc 90 128B 0 54,-2.4 56,-2.6 -2,-0.4 2,-0.6 -0.996 8.4-152.8-135.6 123.4 -21.2 25.3 -4.5 36 36 E Y E -bc 91 129B 0 92,-2.7 94,-2.9 -2,-0.5 2,-0.8 -0.910 8.9-155.7 -92.9 117.3 -22.0 27.3 -1.5 37 37 E V E -bc 92 130B 1 54,-2.9 56,-2.2 -2,-0.6 2,-0.9 -0.944 7.6-161.2-100.6 110.1 -20.4 25.6 1.4 38 38 E I E +b 93 0B 0 92,-2.2 94,-0.4 -2,-0.8 56,-0.2 -0.862 52.4 78.8 -96.1 102.3 -22.5 26.7 4.3 39 39 E D E S-b 94 0B 0 54,-2.3 57,-3.1 -2,-0.9 56,-2.5 -0.538 96.5 -27.2-164.4-137.1 -20.4 26.1 7.2 40 40 E T S S- 0 0 0 1,-0.4 26,-0.5 54,-0.2 27,-0.3 0.402 94.1 -96.7 -85.8 -4.4 -17.4 27.5 9.2 41 41 E G - 0 0 0 52,-0.4 -1,-0.4 -4,-0.2 2,-0.3 -0.547 38.4 -99.5 109.8-176.8 -16.0 29.3 6.3 42 42 E I - 0 0 4 21,-0.3 2,-1.7 -2,-0.2 23,-0.2 -0.973 20.8-119.2-142.3 142.5 -13.2 28.2 3.9 43 43 E E > - 0 0 42 -2,-0.3 3,-2.0 1,-0.2 6,-0.1 -0.761 35.2-174.8 -84.9 81.8 -9.5 29.1 3.9 44 44 E A T 3 S+ 0 0 28 -2,-1.7 7,-0.6 1,-0.3 9,-0.4 0.739 74.6 60.5 -49.9 -31.7 -9.8 30.5 0.5 45 45 E S T 3 S+ 0 0 99 -3,-0.2 -1,-0.3 5,-0.1 5,-0.1 0.427 72.6 123.5 -80.3 0.3 -6.0 31.1 0.2 46 46 E H S X S- 0 0 6 -3,-2.0 3,-2.5 1,-0.1 5,-0.4 -0.521 70.2-128.4 -65.9 131.6 -5.3 27.4 0.6 47 47 E P G > S+ 0 0 96 0, 0.0 3,-1.7 0, 0.0 -1,-0.1 0.703 102.9 68.9 -48.4 -30.3 -3.2 26.4 -2.4 48 48 E E G 3 S+ 0 0 22 1,-0.3 32,-3.4 2,-0.1 33,-0.1 0.538 96.4 51.7 -71.5 -9.5 -5.6 23.5 -3.1 49 49 E F G X S- 0 0 0 -3,-2.5 3,-3.4 30,-0.2 -1,-0.3 0.464 92.5-151.8-103.9 -10.0 -8.4 25.8 -4.0 50 50 E E T < - 0 0 97 -3,-1.7 -2,-0.1 1,-0.3 -5,-0.1 0.671 68.8 -53.1 44.1 40.8 -6.2 27.5 -6.4 51 51 E G T 3 S+ 0 0 64 -7,-0.6 -1,-0.3 -5,-0.4 -6,-0.1 0.510 114.0 114.3 76.6 -0.0 -8.2 30.7 -6.1 52 52 E R < + 0 0 30 -3,-3.4 38,-2.7 -8,-0.1 2,-0.3 0.274 63.7 74.0 -82.3 9.7 -11.6 29.1 -6.9 53 53 E A E +d 90 0B 6 -9,-0.4 2,-0.3 36,-0.2 38,-0.2 -0.944 54.7 166.8-123.7 149.1 -12.9 29.7 -3.4 54 54 E Q E -d 91 0B 65 36,-1.7 38,-2.6 -2,-0.3 2,-0.3 -0.963 35.8-116.5-159.0 147.8 -14.1 32.8 -1.7 55 55 E M E +d 92 0B 39 -2,-0.3 38,-0.2 36,-0.2 3,-0.1 -0.704 30.4 173.3 -78.4 138.9 -15.9 33.9 1.3 56 56 E V E + 0 0 27 36,-3.4 2,-0.3 1,-0.4 37,-0.2 0.490 64.1 4.3-125.3 -16.1 -19.2 35.7 0.5 57 57 E K E -d 93 0B 72 35,-1.6 37,-2.3 6,-0.1 -1,-0.4 -0.966 55.3-169.2-168.7 138.9 -20.8 36.2 3.7 58 58 E T E -d 94 0B 33 -2,-0.3 37,-0.2 35,-0.2 5,-0.1 -0.982 15.1-160.1-127.3 148.9 -20.0 35.7 7.3 59 59 E Y S S+ 0 0 63 35,-2.1 2,-0.1 -2,-0.4 4,-0.1 0.247 78.1 64.8-104.0 6.8 -22.3 35.9 10.1 60 60 E Y S S- 0 0 62 2,-0.4 -2,-0.1 36,-0.1 34,-0.0 -0.278 103.1 -85.3-105.8-174.7 -19.4 36.4 12.5 61 61 E Y S S+ 0 0 233 -2,-0.1 2,-0.3 3,-0.1 -3,-0.0 0.746 110.6 29.7 -67.4 -33.0 -16.7 39.0 13.1 62 62 E S - 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0 0 0 -4,-3.0 4,-1.3 1,-0.1 -30,-0.2 -0.422 66.3-108.3 -83.3 170.0 -10.1 21.3 -3.9 80 80 E R T 4 S+ 0 0 135 -32,-3.4 6,-0.1 1,-0.2 -1,-0.1 0.962 109.0 27.2 -67.0 -41.7 -7.6 20.0 -6.4 81 81 E T T 4 S+ 0 0 29 1,-0.2 -1,-0.2 -33,-0.1 -5,-0.1 0.888 131.8 30.1 -85.7 -39.5 -6.4 16.9 -4.7 82 82 E Y T 4 S+ 0 0 34 -7,-0.2 2,-0.2 -76,-0.1 -2,-0.2 0.373 96.0 102.1-103.3 5.4 -9.2 15.9 -2.5 83 83 E G < - 0 0 0 -4,-1.3 3,-0.3 1,-0.1 -6,-0.3 -0.581 60.1-143.7-106.9 152.1 -12.3 17.1 -4.3 84 84 E V S S+ 0 0 0 -8,-2.3 2,-0.7 1,-0.3 -6,-0.2 0.902 102.3 36.7 -69.7 -42.9 -15.0 15.5 -6.3 85 85 E V > - 0 0 0 -8,-2.6 3,-1.8 -9,-0.2 -1,-0.3 -0.777 69.8-173.1-124.4 87.4 -15.3 18.6 -8.6 86 86 E K T 3 S+ 0 0 15 -2,-0.7 -56,-0.2 -3,-0.3 -1,-0.1 0.440 80.3 40.1 -60.6 -7.1 -11.9 20.1 -9.1 87 87 E K T 3 S+ 0 0 94 -58,-2.5 -55,-0.4 -59,-0.1 -1,-0.3 0.295 81.4 124.0-128.8 10.4 -13.0 23.1 -11.0 88 88 E T < - 0 0 0 -3,-1.8 2,-0.5 -59,-0.4 -54,-0.2 -0.135 64.0-114.0 -67.9 161.2 -16.0 24.2 -9.2 89 89 E Q E -b 34 0B 57 -56,-1.8 -54,-2.4 -59,-0.3 2,-0.4 -0.848 31.4-153.8 -92.0 122.7 -16.5 27.7 -7.7 90 90 E L E -bd 35 53B 0 -38,-2.7 -36,-1.7 -2,-0.5 2,-0.4 -0.944 10.1-170.3-105.7 133.7 -16.7 27.6 -4.0 91 91 E F E -bd 36 54B 7 -56,-2.6 -54,-2.9 -2,-0.4 2,-0.5 -0.970 14.8-141.5-125.2 135.4 -18.5 30.3 -1.9 92 92 E G E -bd 37 55B 0 -38,-2.6 -36,-3.4 -2,-0.4 -35,-1.6 -0.837 17.4-177.5-107.2 131.5 -18.2 30.4 1.7 93 93 E V E -bd 38 57B 0 -56,-2.2 -54,-2.3 -2,-0.5 2,-1.3 -0.988 16.4-153.2-119.8 107.7 -21.0 31.2 3.9 94 94 E K E +bd 39 58B 2 -37,-2.3 -35,-2.1 -2,-0.5 -54,-0.2 -0.674 40.1 144.1 -87.1 97.8 -19.9 31.2 7.5 95 95 E V + 0 0 0 -56,-2.5 2,-0.4 -2,-1.3 -55,-0.2 0.547 63.0 71.0-105.8 -8.4 -23.0 30.4 9.4 96 96 E L S S- 0 0 0 -57,-3.1 6,-0.2 -3,-0.2 -37,-0.1 -0.838 80.5-129.9-112.8 148.1 -20.9 28.5 11.7 97 97 E D > - 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