==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 16-DEC-08 3FK9 . COMPND 2 MOLECULE: MUTATOR MUTT PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: BACILLUS HALODURANS; . AUTHOR J.B.BONANNO,J.FREEMAN,K.T.BAIN,S.HU,R.ROMERO,S.WASSERMAN, . 306 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14843.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 209 68.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 32 10.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 89 29.1 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, 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 . 2 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 6 2.0 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 . 26 8.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 19 6.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 44 14.4 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+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 0 0 0 0 2 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 0 0 0 0 4 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 7 2 0 0 4 0 0 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 2 0 0 2 2 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 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 L 0 0 99 0, 0.0 77,-0.2 0, 0.0 2,-0.1 0.000 360.0 360.0 360.0 102.8 42.8 12.0 3.5 2 2 A Q - 0 0 103 75,-0.2 77,-2.2 30,-0.0 2,-0.5 -0.321 360.0-139.5 -83.5 166.0 39.6 14.2 3.8 3 3 A R E -a 79 0A 20 30,-0.2 30,-2.5 75,-0.2 2,-0.4 -0.982 22.5-172.0-128.5 114.3 39.2 17.9 3.5 4 4 A V E -aB 80 32A 32 75,-3.1 77,-2.5 -2,-0.5 2,-0.3 -0.862 5.3-168.6-110.7 143.6 36.9 19.5 5.9 5 5 A T E +aB 81 31A 0 26,-2.3 26,-1.9 -2,-0.4 2,-0.3 -0.951 7.9 174.5-122.0 148.3 35.6 23.1 6.0 6 6 A N E -aB 82 30A 22 75,-2.1 77,-2.7 -2,-0.3 2,-0.4 -0.957 17.5-139.3-140.7 168.7 33.7 24.9 8.7 7 7 A C E -a 83 0A 0 22,-2.3 2,-0.6 -2,-0.3 77,-0.2 -0.990 4.2-152.2-133.9 141.2 32.6 28.4 9.3 8 8 A I E -a 84 0A 1 75,-1.7 77,-2.3 -2,-0.4 2,-0.6 -0.969 20.5-165.7-108.1 106.3 32.5 30.7 12.3 9 9 A V E -a 85 0A 0 -2,-0.6 7,-1.5 7,-0.4 2,-0.5 -0.887 2.8-168.4-103.4 109.1 29.6 33.2 11.8 10 10 A V E +F 15 0B 18 75,-2.6 2,-0.3 -2,-0.6 5,-0.2 -0.891 17.2 157.1-104.6 126.2 29.6 36.2 14.1 11 11 A D E > S-F 14 0B 46 3,-1.8 3,-1.8 -2,-0.5 76,-0.1 -0.979 70.2 -4.9-152.0 126.1 26.5 38.4 14.3 12 12 A H T 3 S- 0 0 161 -2,-0.3 3,-0.1 1,-0.3 -1,-0.1 0.898 129.0 -57.5 51.7 47.2 25.4 40.7 17.2 13 13 A D T 3 S+ 0 0 87 1,-0.2 93,-2.9 92,-0.1 94,-0.3 0.666 116.1 112.6 54.9 22.0 28.4 39.5 19.3 14 14 A Q E < -FG 11 105B 67 -3,-1.8 -3,-1.8 91,-0.3 2,-0.4 -0.831 55.6-143.5-120.5 165.7 27.2 35.8 19.0 15 15 A V E -FG 10 104B 0 89,-2.9 89,-2.4 -2,-0.3 2,-0.5 -0.987 16.6-128.9-133.2 123.6 28.6 32.7 17.3 16 16 A L E + G 0 103B 0 -7,-1.5 -7,-0.4 -2,-0.4 2,-0.3 -0.644 41.6 165.9 -77.8 117.9 26.5 30.0 15.6 17 17 A L E - G 0 102B 0 85,-2.3 85,-2.5 -2,-0.5 2,-0.4 -0.840 29.4-137.6-129.5 169.9 27.6 26.6 17.0 18 18 A L E -HG 27 101B 0 9,-2.5 9,-3.0 -2,-0.3 2,-0.6 -0.982 10.5-148.7-129.2 134.2 26.5 23.0 17.0 19 19 A Q E -HG 26 100B 50 81,-2.4 81,-1.3 -2,-0.4 7,-0.2 -0.932 21.3-126.1-106.2 123.6 26.5 20.6 19.9 20 20 A K > - 0 0 95 5,-2.6 4,-1.7 -2,-0.6 3,-0.3 -0.214 42.7 -83.0 -60.6 155.1 27.0 16.9 19.2 21 21 A P T 4 S+ 0 0 79 0, 0.0 -1,-0.1 0, 0.0 4,-0.1 -0.115 107.6 34.2 -61.0 157.0 24.4 14.5 20.7 22 22 A R T 4 S- 0 0 238 1,-0.2 -2,-0.1 -3,-0.1 77,-0.0 0.827 135.3 -59.9 72.7 31.4 24.5 13.3 24.3 23 23 A R T 4 S+ 0 0 226 -3,-0.3 -1,-0.2 -4,-0.1 3,-0.1 0.936 97.2 155.7 60.5 44.9 26.0 16.4 25.7 24 24 A G < - 0 0 23 -4,-1.7 -2,-0.1 1,-0.2 -1,-0.1 -0.076 44.7 -51.1 -86.2-165.2 29.0 16.0 23.5 25 25 A W - 0 0 102 -6,-0.1 -5,-2.6 -4,-0.1 2,-0.4 -0.208 50.0-116.6 -71.7 156.0 31.5 18.7 22.2 26 26 A W E +H 19 0B 12 87,-2.3 2,-0.3 -7,-0.2 89,-0.3 -0.783 36.4 178.6 -94.3 135.0 30.6 22.0 20.5 27 27 A V E -H 18 0B 34 -9,-3.0 -9,-2.5 -2,-0.4 3,-0.0 -0.917 35.0-109.2-130.7 157.7 31.7 22.6 16.8 28 28 A A - 0 0 8 -2,-0.3 -11,-0.1 -11,-0.2 -20,-0.1 -0.667 51.5-107.0 -72.0 141.9 31.5 25.2 14.1 29 29 A P + 0 0 0 0, 0.0 -22,-2.3 0, 0.0 2,-0.3 -0.313 68.9 100.8 -68.4 160.3 29.1 23.9 11.4 30 30 A G E -B 6 0A 7 16,-0.3 2,-0.3 -24,-0.3 -24,-0.2 -0.976 41.9-152.3 161.7-154.3 30.5 22.7 8.0 31 31 A G E -B 5 0A 15 -26,-1.9 -26,-2.3 -2,-0.3 2,-0.2 -0.975 33.8 -38.7 171.1-172.7 31.5 19.4 6.2 32 32 A K E -B 4 0A 107 -2,-0.3 -28,-0.2 -28,-0.2 2,-0.1 -0.449 52.1-112.7 -78.4 141.8 33.6 17.6 3.6 33 33 A M - 0 0 15 -30,-2.5 2,-0.4 -2,-0.2 -30,-0.2 -0.411 28.1-139.4 -59.4 139.4 34.7 18.9 0.2 34 34 A E > - 0 0 103 4,-0.2 3,-2.3 -2,-0.1 8,-0.1 -0.849 36.9 -84.4-101.8 145.3 33.2 17.1 -2.8 35 35 A A T 3 S+ 0 0 66 -2,-0.4 3,-0.1 1,-0.3 -1,-0.1 -0.146 115.7 21.0 -48.0 136.5 35.4 16.4 -5.8 36 36 A G T 3 S+ 0 0 8 1,-0.3 -1,-0.3 184,-0.1 2,-0.1 0.173 97.0 117.1 87.7 -19.2 35.5 19.4 -8.2 37 37 A E < - 0 0 23 -3,-2.3 -1,-0.3 2,-0.0 2,-0.2 -0.480 60.8-131.9 -77.6 153.1 34.5 22.0 -5.6 38 38 A S > - 0 0 6 -2,-0.1 4,-2.1 -3,-0.1 -4,-0.2 -0.606 33.7-106.7 -86.0 164.5 36.6 24.9 -4.5 39 39 A I H > S+ 0 0 1 -2,-0.2 4,-2.0 178,-0.2 5,-0.2 0.823 121.5 56.2 -60.8 -27.4 36.9 25.4 -0.6 40 40 A L H > S+ 0 0 11 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.954 107.1 46.9 -70.5 -48.8 34.6 28.4 -1.0 41 41 A E H > S+ 0 0 61 2,-0.2 4,-2.2 1,-0.2 5,-0.2 0.928 112.0 52.5 -52.9 -49.9 31.8 26.4 -2.7 42 42 A T H X S+ 0 0 0 -4,-2.1 4,-3.6 1,-0.2 5,-0.3 0.932 107.6 48.2 -53.7 -59.0 32.0 23.6 -0.1 43 43 A V H X S+ 0 0 0 -4,-2.0 4,-2.1 1,-0.2 5,-0.3 0.860 112.7 48.9 -54.7 -40.9 31.7 25.8 3.0 44 44 A K H X S+ 0 0 76 -4,-1.7 4,-1.6 -5,-0.2 -1,-0.2 0.915 118.4 40.0 -66.3 -42.1 28.6 27.6 1.6 45 45 A R H X S+ 0 0 52 -4,-2.2 4,-2.9 -5,-0.2 -2,-0.2 0.968 119.8 43.0 -68.5 -54.5 26.9 24.4 0.6 46 46 A E H X S+ 0 0 26 -4,-3.6 4,-1.8 1,-0.2 -16,-0.3 0.927 113.9 51.9 -61.1 -42.8 27.9 22.4 3.7 47 47 A Y H X S+ 0 0 0 -4,-2.1 4,-1.8 -5,-0.3 6,-0.4 0.930 113.7 43.2 -58.9 -48.2 27.1 25.2 6.0 48 48 A W H X S+ 0 0 135 -4,-1.6 4,-2.3 -5,-0.3 -1,-0.2 0.888 110.0 56.2 -68.1 -42.0 23.7 25.7 4.6 49 49 A E H < S+ 0 0 102 -4,-2.9 -1,-0.2 1,-0.2 -2,-0.2 0.863 117.0 37.5 -53.3 -35.3 22.9 22.0 4.4 50 50 A E H < S+ 0 0 20 -4,-1.8 -2,-0.2 -5,-0.2 -1,-0.2 0.721 132.8 19.7 -95.8 -23.0 23.6 21.8 8.1 51 51 A T H < S- 0 0 0 -4,-1.8 42,-2.1 2,-0.2 -3,-0.2 0.613 88.4-123.2-124.2 -19.3 22.1 25.1 9.4 52 52 A G S < S+ 0 0 17 -4,-2.3 2,-0.4 -5,-0.3 39,-0.2 0.305 75.1 122.0 86.2 -7.4 19.7 26.4 6.8 53 53 A I - 0 0 2 -6,-0.4 2,-0.5 37,-0.1 -1,-0.3 -0.737 56.1-147.1 -97.9 134.4 21.7 29.6 6.8 54 54 A T E -J 89 0C 62 35,-2.9 35,-3.1 -2,-0.4 2,-0.4 -0.863 17.0-144.0 -93.8 125.3 23.4 31.1 3.7 55 55 A V E -J 88 0C 4 -2,-0.5 33,-0.2 33,-0.2 -7,-0.1 -0.801 6.4-149.3 -94.9 138.5 26.6 32.8 4.6 56 56 A K S S- 0 0 44 31,-1.5 -1,-0.1 -2,-0.4 32,-0.1 0.968 75.8 -4.8 -81.9 -58.2 27.2 35.9 2.5 57 57 A N S S- 0 0 132 30,-0.4 -1,-0.2 2,-0.0 29,-0.2 -0.481 71.8-173.4-139.7 72.4 31.0 36.4 2.1 58 58 A P - 0 0 5 0, 0.0 2,-0.4 0, 0.0 27,-0.2 -0.334 9.0-157.3 -65.6 145.8 32.9 33.8 4.1 59 59 A E E -C 84 0A 110 25,-2.1 25,-2.1 -19,-0.0 2,-0.1 -0.990 20.1-111.5-129.7 136.8 36.6 34.4 4.2 60 60 A L E +C 83 0A 1 -2,-0.4 23,-0.3 23,-0.2 3,-0.1 -0.401 43.9 156.0 -67.1 136.5 39.3 31.8 4.9 61 61 A K E + 0 0 13 21,-3.2 71,-3.7 1,-0.3 2,-0.4 0.617 56.6 42.6-129.4 -35.2 41.2 32.3 8.2 62 62 A G E -Cd 82 132A 0 20,-2.2 20,-2.5 69,-0.2 2,-0.4 -0.973 47.7-177.4-126.6 132.7 42.6 28.9 9.3 63 63 A I E +Cd 81 133A 2 69,-2.4 71,-2.1 -2,-0.4 2,-0.4 -0.987 22.6 176.1-122.0 119.6 44.4 26.1 7.4 64 64 A F E -Cd 80 134A 0 16,-2.4 16,-2.6 -2,-0.4 2,-0.6 -0.972 31.4-145.3-131.6 134.9 45.3 23.1 9.6 65 65 A S E -Cd 79 135A 1 69,-2.4 71,-2.3 -2,-0.4 2,-0.6 -0.863 24.1-155.9 -89.1 123.8 46.8 19.7 9.2 66 66 A M E -Cd 78 136A 9 12,-3.0 12,-2.1 -2,-0.6 2,-0.4 -0.908 11.7-169.4-106.2 119.7 45.0 17.4 11.7 67 67 A V E -Cd 77 137A 0 69,-3.4 71,-3.7 -2,-0.6 2,-0.5 -0.896 18.8-153.7-115.0 134.4 47.1 14.3 12.8 68 68 A I E -Cd 76 138A 26 8,-2.5 7,-2.4 -2,-0.4 8,-1.4 -0.937 23.4-162.5 -99.0 126.0 46.0 11.3 14.7 69 69 A F E +C 74 0A 61 69,-4.2 2,-0.3 -2,-0.5 5,-0.2 -0.945 16.4 163.7-118.6 129.2 49.2 10.0 16.4 70 70 A D E > -C 73 0A 84 3,-2.5 3,-1.9 -2,-0.5 -2,-0.0 -0.984 60.3 -1.4-154.2 137.7 49.4 6.5 17.8 71 71 A E T 3 S- 0 0 91 -2,-0.3 -1,-0.1 1,-0.3 3,-0.1 0.941 128.6 -54.7 46.0 55.2 52.2 4.1 18.9 72 72 A G T 3 S+ 0 0 64 1,-0.1 2,-0.3 -3,-0.1 -1,-0.3 0.401 121.2 85.3 65.9 -3.5 54.8 6.7 17.9 73 73 A K E < S- C 0 70A 132 -3,-1.9 -3,-2.5 0, 0.0 2,-0.4 -0.933 84.7 -97.8-129.8 157.5 53.6 7.2 14.3 74 74 A I E + C 0 69A 60 -2,-0.3 -5,-0.2 -5,-0.2 3,-0.1 -0.541 41.0 167.8 -62.3 123.0 51.1 9.2 12.2 75 75 A V E + 0 0 72 -7,-2.4 2,-0.3 -2,-0.4 -6,-0.2 0.517 62.8 15.8-117.8 -13.4 48.2 6.9 11.6 76 76 A S E + C 0 68A 53 -8,-1.4 -8,-2.5 2,-0.0 -1,-0.3 -0.988 59.3 177.1-157.0 156.4 45.6 9.4 10.3 77 77 A E E + C 0 67A 22 -2,-0.3 2,-0.3 -10,-0.2 -75,-0.2 -0.918 3.9 166.2-163.1 129.7 45.6 12.9 8.8 78 78 A W E - 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0 0 31 4,-1.2 3,-2.8 -2,-0.2 -69,-0.1 -0.573 48.0 -92.1 -90.3 167.2 42.4 17.5 -20.3 294 140 B P T 3 S+ 0 0 61 0, 0.0 -70,-0.1 0, 0.0 -1,-0.0 0.778 130.7 51.2 -53.9 -20.3 45.1 14.9 -19.8 295 141 B D T 3 S- 0 0 147 2,-0.1 -73,-0.0 0, 0.0 0, 0.0 0.369 121.6-105.9 -99.0 7.3 47.3 17.1 -21.9 296 142 B F < + 0 0 70 -3,-2.8 2,-0.6 1,-0.3 -26,-0.4 0.838 65.2 150.7 70.8 38.0 46.6 20.2 -19.9 297 143 B E - 0 0 136 -28,-0.1 -4,-1.2 -27,-0.1 2,-0.5 -0.898 53.0-116.3 -89.8 125.2 44.4 22.1 -22.3 298 144 B L E +O 292 0D 34 -2,-0.6 -6,-0.2 -6,-0.2 3,-0.1 -0.483 34.7 178.3 -69.4 115.8 42.1 24.2 -20.2 299 145 B L E - 0 0 87 -8,-2.8 2,-0.3 -2,-0.5 -7,-0.2 0.821 63.5 -42.3 -83.2 -34.5 38.4 23.1 -20.5 300 146 B S E -O 291 0D 59 -9,-1.4 -9,-2.6 2,-0.0 -1,-0.3 -0.977 50.3-152.5-178.2 173.4 37.1 25.6 -18.0 301 147 B Y E -O 290 0D 87 -2,-0.3 2,-0.5 -11,-0.2 -11,-0.2 -0.978 10.6-148.4-158.1 151.6 37.5 27.3 -14.7 302 148 B R E -O 289 0D 110 -13,-2.2 -13,-1.6 -2,-0.3 2,-0.3 -0.983 26.6-178.8-122.2 115.9 35.5 29.0 -11.9 303 149 B L E -O 288 0D 20 -2,-0.5 -15,-0.2 -15,-0.2 3,-0.1 -0.888 17.4-134.7-115.8 151.5 37.4 31.8 -10.2 304 150 B D E S+O 287 0D 77 -17,-2.2 -17,-2.9 -2,-0.3 2,-0.2 -0.868 99.7 33.7-153.7 112.9 36.3 34.0 -7.3 305 151 B P S S- 0 0 56 0, 0.0 -1,-0.3 0, 0.0 -27,-0.0 0.434 107.6-131.9 -63.8 145.4 36.8 36.9 -7.4 306 152 B E 0 0 77 -2,-0.2 -2,-0.1 1,-0.1 -4,-0.0 -0.526 360.0 360.0 -75.8 142.7 36.2 36.5 -11.1 307 153 B P 0 0 99 0, 0.0 -1,-0.1 0, 0.0 -3,-0.0 0.828 360.0 360.0 -48.7 360.0 38.7 38.2 -13.4