==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=8-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 10-NOV-02 1N6F . COMPND 2 MOLECULE: TRICORN PROTEASE; . SOURCE 2 ORGANISM_SCIENTIFIC: THERMOPLASMA ACIDOPHILUM; . AUTHOR J.-S.KIM,M.GROLL,R.HUBER,H.BRANDSTETTER . 6138 6 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 206247.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 3996 65.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 186 3.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1800 29.3 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 90 1.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 60 1.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 90 1.5 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 . 2 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 . 534 8.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 479 7.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 722 11.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 48 0.8 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 9 0 12 0 0 6 0 6 1 11 6 0 6 0 0 12 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 30 6 0 0 18 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 . 43 54 32 76 72 42 12 12 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 . 14 4 42 24 6 12 3 0 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 39 A M 0 0 147 0, 0.0 685,-0.0 0, 0.0 2,-0.0 0.000 360.0 360.0 360.0 145.1 -38.3 -57.1 -8.5 2 40 A P - 0 0 58 0, 0.0 2,-0.2 0, 0.0 270,-0.1 -0.153 360.0-108.6 -84.9-177.6 -35.0 -56.9 -10.4 3 41 A N - 0 0 8 268,-0.3 2,-0.7 250,-0.1 684,-0.2 -0.463 25.1-105.0-106.4 179.5 -32.3 -54.2 -10.4 4 42 A L - 0 0 8 682,-0.6 16,-0.5 -2,-0.2 2,-0.3 -0.928 40.0-167.8-108.5 108.2 -31.1 -51.6 -12.8 5 43 A L + 0 0 14 248,-2.6 2,-0.3 -2,-0.7 248,-0.2 -0.703 15.7 155.5 -97.3 150.2 -27.8 -52.8 -14.3 6 44 A L E +A 18 0A 7 12,-1.5 12,-2.9 -2,-0.3 249,-0.1 -0.995 35.3 35.1-166.0 167.7 -25.6 -50.6 -16.3 7 45 A N E - 0 0 17 -2,-0.3 39,-0.3 10,-0.2 -1,-0.1 0.911 68.9-174.6 49.3 65.6 -22.2 -49.6 -17.7 8 46 A P E - 0 0 0 0, 0.0 2,-0.3 0, 0.0 9,-0.2 -0.286 18.3-163.8 -87.1 169.0 -20.6 -53.0 -18.2 9 47 A D E -A 16 0A 2 7,-2.2 7,-1.8 240,-0.1 2,-0.3 -0.985 10.3-148.5-147.9 149.3 -17.2 -54.2 -19.3 10 48 A I E +A 15 0A 1 -2,-0.3 5,-0.2 5,-0.2 2,-0.1 -0.906 21.4 170.6-127.7 153.6 -16.0 -57.6 -20.5 11 49 A H E > S-A 14 0A 54 3,-2.0 3,-1.5 -2,-0.3 2,-0.6 -0.625 71.9 -54.7-158.8 90.1 -13.0 -59.8 -20.4 12 50 A G T 3 S- 0 0 10 1,-0.3 231,-0.1 -2,-0.1 234,-0.1 -0.653 119.6 -20.0 77.9-116.5 -13.4 -63.3 -21.6 13 51 A D T 3 S+ 0 0 80 -2,-0.6 15,-3.1 -3,-0.1 2,-0.3 0.476 118.5 93.4-103.2 -6.6 -16.3 -64.8 -19.7 14 52 A R E < -AB 11 27A 75 -3,-1.5 -3,-2.0 13,-0.2 2,-0.4 -0.678 54.2-171.3 -89.2 141.9 -16.2 -62.4 -16.8 15 53 A I E -AB 10 26A 0 11,-2.4 11,-2.4 -2,-0.3 2,-0.3 -0.951 4.7-165.0-137.8 115.6 -18.4 -59.3 -16.9 16 54 A I E +AB 9 25A 0 -7,-1.8 -7,-2.2 -2,-0.4 2,-0.3 -0.778 20.8 154.7 -99.6 145.2 -18.2 -56.4 -14.5 17 55 A F E - B 0 24A 0 7,-2.1 7,-3.1 -2,-0.3 2,-0.4 -0.959 40.5 -92.6-156.7 173.1 -21.1 -53.9 -14.2 18 56 A V E +AB 6 23A 1 -12,-2.9 -12,-1.5 -2,-0.3 2,-0.3 -0.794 37.1 165.6-101.9 136.7 -22.7 -51.4 -11.9 19 57 A C E > S- B 0 22A 0 3,-2.3 3,-1.8 -2,-0.4 -14,-0.1 -0.956 73.5 -5.2-147.7 126.0 -25.7 -52.2 -9.6 20 58 A C T 3 S- 0 0 8 -16,-0.5 3,-0.1 -2,-0.3 -1,-0.1 0.935 126.5 -62.2 54.4 46.6 -26.9 -50.0 -6.7 21 59 A D T 3 S+ 0 0 16 1,-0.2 22,-2.0 22,-0.1 -1,-0.3 0.414 118.2 105.7 63.4 -3.9 -23.9 -47.7 -7.2 22 60 A D E < S-B 19 0A 19 -3,-1.8 -3,-2.3 20,-0.1 2,-0.5 -0.607 75.2-106.1-104.3 167.6 -21.6 -50.6 -6.4 23 61 A L E -BC 18 37A 0 14,-2.1 13,-2.1 -5,-0.2 14,-1.4 -0.813 37.7-177.4 -96.6 124.3 -19.3 -52.8 -8.7 24 62 A W E -BC 17 35A 17 -7,-3.1 -7,-2.1 -2,-0.5 2,-0.4 -0.791 14.4-149.7-118.9 162.7 -20.4 -56.3 -9.5 25 63 A E E -BC 16 34A 16 9,-2.7 9,-2.3 -2,-0.3 2,-0.4 -0.993 9.6-168.2-132.0 137.0 -18.8 -59.2 -11.4 26 64 A H E -BC 15 33A 6 -11,-2.4 -11,-2.4 -2,-0.4 2,-0.7 -0.989 14.3-143.0-130.3 135.6 -20.7 -62.0 -13.3 27 65 A D E > -B 14 0A 40 5,-2.2 4,-2.7 -2,-0.4 5,-0.3 -0.863 2.8-159.7 -98.8 113.5 -19.3 -65.2 -14.7 28 66 A L T 4 S+ 0 0 42 -15,-3.1 -1,-0.2 -2,-0.7 -14,-0.1 0.855 91.6 51.3 -58.6 -36.5 -20.9 -66.2 -18.0 29 67 A K T 4 S+ 0 0 180 -16,-0.2 -1,-0.1 1,-0.1 -15,-0.0 0.998 123.3 22.8 -64.5 -73.6 -19.7 -69.7 -17.5 30 68 A S T 4 S- 0 0 82 2,-0.1 -2,-0.2 1,-0.1 -1,-0.1 0.834 95.6-133.0 -64.3 -35.7 -21.0 -70.5 -13.9 31 69 A G < + 0 0 42 -4,-2.7 2,-0.3 1,-0.3 -3,-0.1 0.621 56.0 141.1 89.9 13.4 -23.7 -67.8 -14.0 32 70 A S - 0 0 52 -5,-0.3 -5,-2.2 2,-0.0 2,-0.4 -0.695 33.7-161.3 -94.1 142.6 -22.7 -66.5 -10.5 33 71 A T E +C 26 0A 14 -2,-0.3 2,-0.3 -7,-0.2 -7,-0.2 -0.935 12.7 171.2-122.9 144.8 -22.8 -62.8 -9.7 34 72 A R E -C 25 0A 83 -9,-2.3 -9,-2.7 -2,-0.4 2,-0.6 -0.997 36.9-112.4-153.4 148.5 -21.0 -61.1 -6.8 35 73 A K E -CD 243107A 29 3072,-0.5 3072,-0.6 -2,-0.3 -11,-0.3 -0.715 29.5-179.6 -83.0 120.7 -20.3 -57.6 -5.5 36 74 A I E + 0 0 17 -13,-2.1 2,-0.3 -2,-0.6 -12,-0.2 0.578 66.6 17.9 -96.4 -15.3 -16.5 -57.0 -5.8 37 75 A V E +C 23 0A 14 -14,-1.4 -14,-2.1 36,-0.1 2,-0.3 -0.912 68.3 154.4-159.7 132.0 -16.3 -53.4 -4.4 38 76 A S + 0 0 23 -2,-0.3 3073,-0.1 -16,-0.2 -16,-0.1 -0.924 47.9 46.3-148.9 174.4 -18.6 -51.2 -2.4 39 77 A N S S+ 0 0 69 -2,-0.3 -1,-0.1 2,-0.2 3,-0.1 0.807 76.5 110.9 58.4 34.5 -18.9 -48.3 0.1 40 78 A L S S- 0 0 14 1,-0.5 2,-0.4 -3,-0.1 -1,-0.1 0.520 87.6-102.7-107.9 -15.5 -16.6 -46.2 -2.0 41 79 A G S S- 0 0 8 18,-0.1 2,-0.7 20,-0.1 -1,-0.5 -0.957 72.9 -14.2 126.2-145.0 -19.3 -43.9 -3.1 42 80 A V E -H 60 0B 1 18,-2.3 18,-3.0 -2,-0.4 2,-0.5 -0.844 60.3-163.3-103.5 115.2 -21.0 -43.9 -6.5 43 81 A I E +H 59 0B 0 -22,-2.0 16,-0.2 -2,-0.7 -22,-0.1 -0.827 21.4 161.0 -95.2 129.0 -19.3 -45.9 -9.2 44 82 A N E + 0 0 6 14,-1.2 2,-0.4 -2,-0.5 -1,-0.1 0.435 64.7 37.6-123.2 -11.6 -20.4 -45.2 -12.8 45 83 A N E +H 58 0B 7 13,-0.9 13,-2.5 -28,-0.1 2,-0.4 -0.978 52.7 174.2-149.8 132.7 -17.5 -46.7 -14.7 46 84 A A E -H 57 0B 0 -2,-0.4 2,-0.4 -39,-0.3 11,-0.2 -0.995 11.4-166.8-138.4 130.2 -15.2 -49.7 -14.3 47 85 A R E -H 56 0B 36 9,-2.9 9,-2.5 -2,-0.4 2,-0.2 -0.980 16.8-132.8-128.7 127.6 -12.7 -50.8 -16.8 48 86 A F E -H 55 0B 10 -2,-0.4 7,-0.2 7,-0.2 -38,-0.1 -0.471 23.9-131.3 -69.7 138.3 -10.8 -54.1 -17.1 49 87 A F > - 0 0 15 5,-1.9 3,-1.1 -2,-0.2 -1,-0.1 -0.267 34.2 -94.2 -80.4 176.5 -7.0 -53.8 -17.6 50 88 A P T 3 S+ 0 0 72 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.971 126.5 49.6 -58.9 -56.6 -5.4 -55.9 -20.3 51 89 A D T 3 S- 0 0 91 1,-0.1 -40,-0.0 55,-0.1 -3,-0.0 0.528 107.0-128.7 -62.6 -2.1 -4.4 -58.8 -18.1 52 90 A G S < S+ 0 0 0 -3,-1.1 -1,-0.1 2,-0.1 -41,-0.0 0.628 85.3 99.9 63.9 11.0 -8.0 -58.8 -16.9 53 91 A R S S+ 0 0 107 21,-0.1 22,-1.3 22,-0.0 -1,-0.1 0.929 72.7 41.9 -90.5 -66.6 -6.6 -58.7 -13.3 54 92 A K E - I 0 74B 69 20,-0.2 -5,-1.9 21,-0.1 2,-0.4 -0.336 69.7-149.9 -79.9 166.9 -6.8 -55.1 -12.1 55 93 A I E -HI 48 73B 2 18,-1.8 18,-2.4 -7,-0.2 2,-0.4 -0.985 7.3-143.0-143.8 127.2 -9.7 -52.7 -12.6 56 94 A A E -HI 47 72B 1 -9,-2.5 -9,-2.9 -2,-0.4 2,-0.4 -0.764 28.0-167.7 -87.3 131.6 -9.7 -48.9 -13.0 57 95 A I E -HI 46 71B 0 14,-2.9 14,-2.4 -2,-0.4 2,-0.5 -0.959 17.7-149.7-127.8 141.7 -12.7 -47.5 -11.3 58 96 A R E -HI 45 70B 0 -13,-2.5 -14,-1.2 -2,-0.4 -13,-0.9 -0.942 21.2-177.6-108.8 127.6 -14.3 -44.1 -11.3 59 97 A V E -HI 43 69B 0 10,-2.4 10,-1.9 -2,-0.5 2,-0.3 -0.984 14.5-147.6-130.2 141.6 -16.2 -43.0 -8.2 60 98 A M E +HI 42 68B 3 -18,-3.0 -18,-2.3 -2,-0.4 2,-0.3 -0.832 18.3 179.5-106.4 143.1 -18.1 -39.9 -7.4 61 99 A R E + I 0 67B 44 6,-2.3 6,-1.9 -2,-0.3 5,-0.4 -0.868 35.2 71.0-136.0 170.4 -18.4 -38.2 -3.9 62 100 A G S > S- 0 0 1 657,-1.4 3,-2.6 -2,-0.3 654,-0.2 0.128 92.5 -77.7 94.4 143.2 -20.1 -35.2 -2.4 63 101 A S T 3 S+ 0 0 58 1,-0.3 653,-3.2 653,-0.1 654,-0.7 0.801 134.3 30.4 -43.1 -42.3 -23.8 -34.9 -1.8 64 102 A S T 3 S- 0 0 50 651,-0.2 -1,-0.3 652,-0.1 649,-0.2 0.146 115.3-107.2-106.4 18.0 -24.5 -34.1 -5.5 65 103 A L < + 0 0 13 -3,-2.6 -3,-0.2 652,-0.1 -2,-0.1 0.927 68.9 148.4 57.0 48.3 -21.6 -36.0 -6.9 66 104 A N + 0 0 77 -5,-0.4 24,-1.9 23,-0.1 2,-0.3 0.615 57.7 55.2 -86.2 -14.3 -19.7 -32.9 -7.7 67 105 A T E +IJ 61 89B 9 -6,-1.9 -6,-2.3 22,-0.2 2,-0.3 -0.879 61.7 177.1-122.2 153.9 -16.4 -34.6 -7.2 68 106 A A E +IJ 60 88B 0 20,-1.4 20,-1.1 -2,-0.3 2,-0.3 -0.987 5.5 169.4-150.6 157.6 -14.7 -37.6 -8.6 69 107 A D E -I 59 0B 0 -10,-1.9 -10,-2.4 -2,-0.3 2,-0.4 -0.961 31.1-103.0-159.4 167.0 -11.5 -39.6 -8.5 70 108 A L E -I 58 0B 2 -2,-0.3 13,-3.5 -12,-0.2 14,-1.4 -0.820 26.8-172.1-107.6 144.4 -10.1 -43.0 -9.7 71 109 A Y E -IK 57 82B 19 -14,-2.4 -14,-2.9 -2,-0.4 2,-0.4 -0.915 16.8-134.2-128.7 153.6 -9.4 -46.2 -7.8 72 110 A F E -IK 56 81B 14 9,-3.4 9,-1.8 -2,-0.3 2,-0.4 -0.906 15.3-163.9-109.2 135.5 -7.7 -49.5 -8.6 73 111 A Y E -IK 55 80B 24 -18,-2.4 -18,-1.8 -2,-0.4 2,-0.6 -0.958 3.2-160.6-118.4 135.5 -9.1 -52.9 -7.7 74 112 A N E >>> -IK 54 79B 23 5,-2.2 4,-2.0 -2,-0.4 5,-0.8 -0.922 6.2-165.8-119.2 106.5 -7.1 -56.1 -7.8 75 113 A G T 345S+ 0 0 46 -22,-1.3 -1,-0.1 -2,-0.6 -21,-0.1 0.541 83.4 71.4 -66.3 -4.4 -9.2 -59.2 -7.9 76 114 A E T 345S+ 0 0 123 1,-0.1 -1,-0.2 3,-0.1 3268,-0.2 0.921 122.3 4.0 -77.2 -45.9 -6.1 -61.2 -6.9 77 115 A N T <45S- 0 0 35 -3,-0.7 3268,-0.2 2,-0.1 -2,-0.2 0.300 98.8-112.6-121.7 4.7 -5.9 -60.0 -3.3 78 116 A G T <5 + 0 0 11 -4,-2.0 3269,-1.5 1,-0.2 2,-0.2 0.696 61.2 162.9 69.2 19.3 -9.1 -57.9 -3.1 79 117 A E E < -Kl 743347B 80 -5,-0.8 -5,-2.2 3267,-0.2 2,-0.4 -0.472 21.5-164.9 -74.2 138.2 -6.9 -54.8 -2.7 80 118 A I E +K 73 0B 29 3267,-1.6 2,-0.3 -7,-0.2 -7,-0.2 -0.954 11.4 172.5-123.8 143.7 -8.4 -51.4 -3.3 81 119 A K E -K 72 0B 57 -9,-1.8 -9,-3.4 -2,-0.4 2,-0.3 -0.966 31.7-123.7-156.6 136.7 -6.5 -48.2 -3.8 82 120 A R E +K 71 0B 29 -2,-0.3 -11,-0.3 -11,-0.3 3,-0.1 -0.621 25.0 179.4 -79.0 133.2 -7.0 -44.6 -4.7 83 121 A I + 0 0 1 -13,-3.5 2,-0.4 -2,-0.3 -12,-0.2 0.776 61.0 43.7-104.5 -37.8 -5.0 -43.5 -7.7 84 122 A T - 0 0 0 -14,-1.4 -1,-0.2 700,-0.1 3,-0.1 -0.874 44.7-176.9-114.7 146.6 -5.9 -39.8 -8.3 85 123 A Y + 0 0 14 -2,-0.4 640,-0.3 46,-0.1 -16,-0.1 -0.334 53.7 114.2-131.0 45.5 -6.3 -37.0 -5.8 86 124 A F - 0 0 3 638,-0.1 638,-0.1 -18,-0.1 -17,-0.1 0.733 67.0-145.1 -88.2 -26.7 -7.4 -34.5 -8.4 87 125 A S - 0 0 22 -19,-0.2 -18,-0.2 636,-0.2 637,-0.1 0.944 25.5-153.3 56.6 47.6 -10.8 -34.1 -7.0 88 126 A G E 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