==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=7-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 09-SEP-09 3A6V . COMPND 2 MOLECULE: MUTATOR MUTT PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI K-12; . AUTHOR T.NAKAMURA,Y.YAMAGATA . 243 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12257.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 181 74.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 22 9.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 64 26.3 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 . 2 0.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 3 1.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.4 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 . 31 12.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 20 8.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 36 14.8 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 1 0 1 0 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 0 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 PARALLEL BRIDGES PER LADDER . 2 2 2 0 2 0 0 0 0 0 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 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 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 M 0 0 121 0, 0.0 2,-0.3 0, 0.0 71,-0.2 0.000 360.0 360.0 360.0 101.4 -5.5 -17.5 20.4 2 2 A K E -a 72 0A 134 69,-1.9 71,-2.7 2,-0.0 2,-0.4 -0.758 360.0-126.1-114.9 161.6 -6.2 -15.0 17.6 3 3 A K E -a 73 0A 152 -2,-0.3 2,-0.4 69,-0.2 71,-0.2 -0.849 17.1-173.0-107.9 143.4 -4.1 -13.5 14.8 4 4 A L E -a 74 0A 16 69,-2.3 71,-1.9 -2,-0.4 2,-0.4 -0.985 12.5-172.8-134.0 118.9 -3.7 -9.8 14.1 5 5 A Q E -a 75 0A 54 -2,-0.4 29,-2.7 29,-0.4 2,-0.4 -0.931 7.5-163.3-121.2 143.7 -1.8 -9.0 11.0 6 6 A I E -aB 76 33A 0 69,-2.6 71,-3.3 -2,-0.4 2,-0.5 -0.979 9.1-147.8-127.9 134.6 -0.7 -5.6 9.7 7 7 A A E -aB 77 32A 0 25,-3.0 25,-1.9 -2,-0.4 2,-0.4 -0.874 16.6-165.7-102.5 130.9 0.5 -4.6 6.2 8 8 A V E -aB 78 31A 0 69,-3.7 71,-3.3 -2,-0.5 2,-0.6 -0.961 8.0-147.6-122.9 133.1 3.1 -2.0 5.9 9 9 A G E -a 79 0A 0 21,-2.2 2,-0.8 -2,-0.4 71,-0.2 -0.863 6.5-167.1-106.3 121.1 4.1 -0.1 2.8 10 10 A I E -a 80 0A 0 69,-3.3 71,-3.5 -2,-0.6 2,-0.7 -0.898 15.9-162.1-102.1 104.2 7.7 1.1 2.2 11 11 A I E -a 81 0A 0 -2,-0.8 8,-1.9 8,-0.5 2,-0.5 -0.812 11.2-179.5 -94.3 114.0 7.3 3.6 -0.7 12 12 A R B -D 18 0B 49 69,-2.4 6,-0.2 -2,-0.7 2,-0.1 -0.957 8.1-159.5-118.9 126.9 10.6 4.2 -2.5 13 13 A N > - 0 0 23 4,-2.3 3,-1.4 -2,-0.5 4,-0.1 -0.234 40.4 -87.0 -92.2-173.4 11.1 6.6 -5.4 14 14 A E T 3 S+ 0 0 164 1,-0.3 -1,-0.0 2,-0.1 68,-0.0 0.636 123.1 59.3 -69.4 -16.8 13.8 6.8 -8.1 15 15 A N T 3 S- 0 0 116 2,-0.1 -1,-0.3 85,-0.0 3,-0.1 0.235 118.5-106.9 -97.1 13.8 16.0 9.1 -5.9 16 16 A N S < S+ 0 0 57 -3,-1.4 85,-2.1 1,-0.3 2,-0.4 0.859 76.1 137.5 64.8 36.8 16.2 6.5 -3.1 17 17 A E E - E 0 100B 62 83,-0.2 -4,-2.3 84,-0.1 2,-0.4 -0.881 42.1-146.5-111.6 145.6 13.9 8.5 -0.9 18 18 A I E -DE 12 99B 1 81,-3.1 81,-2.3 -2,-0.4 2,-0.7 -0.883 18.2-118.1-114.6 146.0 11.1 6.9 1.1 19 19 A F E - E 0 98B 6 -8,-1.9 -8,-0.5 -2,-0.4 2,-0.4 -0.744 37.8-174.8 -85.2 115.8 7.7 8.4 2.0 20 20 A I E - E 0 97B 2 77,-2.8 77,-2.3 -2,-0.7 2,-0.3 -0.889 8.5-159.5-113.5 140.1 7.5 8.7 5.8 21 21 A T E -FE 28 96B 4 7,-2.6 7,-2.4 -2,-0.4 2,-0.2 -0.747 11.4-133.8-113.8 164.4 4.4 9.7 7.8 22 22 A R E F 27 0B 99 73,-2.0 5,-0.2 -2,-0.3 4,-0.1 -0.727 360.0 360.0-116.4 167.4 4.2 11.1 11.3 23 23 A R 0 0 90 3,-1.2 4,-0.0 -2,-0.2 -1,-0.0 -0.679 360.0 360.0 -82.1 360.0 2.1 10.5 14.4 24 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 25 31 A N 0 0 129 0, 0.0 2,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -97.9 5.9 13.0 16.6 26 32 A K - 0 0 68 -4,-0.1 -3,-1.2 1,-0.1 2,-0.2 -0.333 360.0-114.7 -67.8 152.5 7.7 9.8 15.9 27 33 A L E +F 22 0B 10 81,-2.7 2,-0.3 -5,-0.2 -5,-0.2 -0.567 40.7 160.9 -90.1 152.7 8.1 8.7 12.3 28 34 A E E -F 21 0B 18 -7,-2.4 -7,-2.6 -2,-0.2 3,-0.1 -0.983 36.9 -96.6-161.4 168.5 6.5 5.6 10.8 29 35 A F - 0 0 0 -2,-0.3 -19,-0.1 -9,-0.2 -9,-0.1 -0.620 45.0-100.8 -92.1 151.5 5.5 3.9 7.5 30 36 A P S S+ 0 0 0 0, 0.0 -21,-2.2 0, 0.0 2,-0.2 -0.322 70.3 105.5 -64.2 154.0 1.9 4.0 6.1 31 37 A G E -B 8 0A 0 -23,-0.2 2,-0.3 16,-0.2 -23,-0.2 -0.846 33.5-179.5 153.2 170.2 0.0 0.8 6.8 32 38 A G E -B 7 0A 0 -25,-1.9 -25,-3.0 -2,-0.2 162,-0.1 -0.975 39.2 -27.5-176.4-172.6 -2.7 -1.0 8.8 33 39 A K E -B 6 0A 64 -2,-0.3 2,-0.7 -27,-0.2 -27,-0.3 -0.266 45.3-130.6 -64.8 138.6 -4.7 -4.0 9.7 34 40 A I - 0 0 18 -29,-2.7 -29,-0.4 4,-0.0 3,-0.1 -0.809 33.8-144.6 -87.7 117.2 -5.4 -6.8 7.3 35 41 A E > - 0 0 86 -2,-0.7 3,-2.0 1,-0.2 8,-0.1 -0.349 30.3 -69.8 -83.7 164.8 -9.2 -7.4 7.5 36 42 A M T 3 S+ 0 0 191 1,-0.3 -1,-0.2 -2,-0.1 3,-0.1 -0.235 119.8 15.1 -53.0 132.7 -11.2 -10.6 7.3 37 43 A G T 3 S+ 0 0 84 1,-0.3 2,-0.3 -3,-0.1 -1,-0.3 0.468 100.1 115.3 82.0 0.4 -11.2 -12.1 3.8 38 44 A E < - 0 0 46 -3,-2.0 -1,-0.3 4,-0.0 -4,-0.0 -0.780 59.6-133.7-102.6 150.6 -8.3 -10.0 2.5 39 45 A T > - 0 0 61 -2,-0.3 4,-2.1 -3,-0.1 5,-0.2 -0.554 33.5-104.6 -92.4 164.9 -4.9 -11.2 1.4 40 46 A P H > S+ 0 0 25 0, 0.0 4,-1.8 0, 0.0 5,-0.2 0.882 122.9 51.8 -56.3 -37.6 -1.7 -9.4 2.7 41 47 A E H > S+ 0 0 86 2,-0.2 4,-1.7 1,-0.2 5,-0.1 0.885 107.5 49.5 -66.7 -43.0 -1.4 -7.9 -0.8 42 48 A Q H > S+ 0 0 109 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.883 110.6 52.3 -64.7 -37.6 -5.0 -6.6 -1.0 43 49 A A H X S+ 0 0 0 -4,-2.1 4,-2.9 2,-0.2 5,-0.3 0.888 107.4 49.4 -67.5 -41.5 -4.6 -5.0 2.5 44 50 A V H X S+ 0 0 1 -4,-1.8 4,-1.8 2,-0.2 -1,-0.2 0.891 112.8 48.9 -67.1 -35.0 -1.4 -3.1 1.7 45 51 A V H X S+ 0 0 29 -4,-1.7 4,-2.0 2,-0.2 -2,-0.2 0.956 114.7 45.0 -66.7 -47.0 -3.0 -1.8 -1.5 46 52 A R H X S+ 0 0 47 -4,-2.6 4,-2.1 1,-0.2 -2,-0.2 0.930 113.4 48.0 -62.4 -49.6 -6.1 -0.7 0.4 47 53 A E H X S+ 0 0 9 -4,-2.9 4,-2.9 1,-0.2 5,-0.3 0.868 112.4 49.4 -62.2 -37.2 -4.4 0.9 3.3 48 54 A L H X>S+ 0 0 0 -4,-1.8 4,-2.2 -5,-0.3 6,-1.0 0.874 109.7 51.1 -71.6 -34.0 -2.0 2.8 1.1 49 55 A Q H X5S+ 0 0 74 -4,-2.0 4,-0.5 4,-0.2 -2,-0.2 0.894 116.2 43.4 -66.4 -36.9 -4.9 4.1 -1.0 50 56 A E H <5S+ 0 0 76 -4,-2.1 -2,-0.2 -5,-0.2 -1,-0.2 0.912 122.8 34.1 -73.5 -46.1 -6.6 5.2 2.2 51 57 A E H <5S+ 0 0 10 -4,-2.9 41,-1.1 -5,-0.2 40,-0.8 0.877 136.8 10.3 -82.2 -41.2 -3.6 6.8 3.9 52 58 A V H <5S- 0 0 0 -4,-2.2 37,-1.4 -5,-0.3 -3,-0.2 0.366 94.7-115.5-124.4 5.1 -1.5 8.3 1.1 53 59 A G S < -C 72 0A 2 3,-2.9 3,-2.0 -2,-0.7 2,-0.1 -0.747 51.6 -70.3-114.3 163.6 2.1 -12.8 22.9 70 76 A P T 3 S- 0 0 3 0, 0.0 -1,-0.1 0, 0.0 61,-0.1 -0.357 119.2 -8.7 -57.0 125.0 -0.2 -14.5 25.3 71 77 A D T 3 S+ 0 0 31 84,-0.1 -69,-1.9 -2,-0.1 2,-0.4 0.427 125.7 83.4 67.4 1.2 -3.5 -15.3 23.4 72 78 A R E < -aC 2 69A 35 -3,-2.0 -3,-2.9 -71,-0.2 2,-0.6 -0.978 53.6-167.2-142.9 129.5 -2.3 -13.2 20.4 73 79 A H E -aC 3 68A 30 -71,-2.7 -69,-2.3 -2,-0.4 2,-0.4 -0.959 17.6-167.8-112.0 119.0 -0.1 -13.9 17.4 74 80 A I E -aC 4 67A 0 -7,-3.0 -7,-2.7 -2,-0.6 2,-0.4 -0.918 5.4-171.0-112.8 133.4 0.8 -10.7 15.5 75 81 A T E -aC 5 66A 6 -71,-1.9 -69,-2.6 -2,-0.4 2,-0.5 -0.986 7.2-158.9-125.2 129.6 2.4 -10.6 12.0 76 82 A L E -aC 6 65A 2 -11,-3.1 -11,-2.2 -2,-0.4 2,-0.6 -0.931 6.2-160.3-108.4 122.8 3.8 -7.5 10.3 77 83 A W E -aC 7 64A 45 -71,-3.3 -69,-3.7 -2,-0.5 2,-0.6 -0.910 4.2-162.9-105.9 112.6 4.2 -7.6 6.6 78 84 A F E -aC 8 63A 0 -15,-3.0 -16,-3.0 -2,-0.6 -15,-1.6 -0.853 8.0-168.5 -98.8 117.9 6.6 -5.1 5.1 79 85 A W E -aC 9 61A 14 -71,-3.3 -69,-3.3 -2,-0.6 2,-0.8 -0.873 17.9-139.0-108.5 136.5 6.2 -4.5 1.4 80 86 A L E -aC 10 60A 13 -20,-2.7 -20,-1.4 -2,-0.4 2,-0.7 -0.844 19.8-160.1 -94.4 113.2 8.7 -2.5 -0.8 81 87 A V E +aC 11 59A 0 -71,-3.5 -69,-2.4 -2,-0.8 -22,-0.2 -0.850 22.8 162.2 -99.0 114.2 6.6 -0.4 -3.2 82 88 A E E + 0 0 71 -24,-2.0 2,-0.3 -2,-0.7 -23,-0.1 0.586 64.2 28.2-108.7 -13.5 8.6 0.7 -6.2 83 89 A R E + C 0 58A 135 -25,-1.2 -26,-2.6 -70,-0.0 -25,-1.9 -0.982 67.8 152.3-149.3 137.8 6.0 1.7 -8.7 84 90 A W E - C 0 56A 44 -2,-0.3 2,-0.4 -28,-0.2 -30,-0.0 -0.961 41.6-105.5-156.1 169.8 2.5 3.1 -8.2 85 91 A E E S+ C 0 55A 125 -30,-1.9 -30,-2.0 -2,-0.3 2,-0.1 -0.883 81.8 17.7-104.3 135.8 -0.3 5.2 -9.6 86 92 A G S S- 0 0 46 -2,-0.4 -32,-0.2 -32,-0.2 -2,-0.1 -0.440 87.6 -75.2 102.9-177.4 -0.8 8.6 -8.0 87 93 A E - 0 0 130 -34,-0.5 2,-0.0 -2,-0.1 -2,-0.0 -0.990 43.5-117.6-127.7 123.6 1.2 10.9 -5.8 88 94 A P + 0 0 8 0, 0.0 2,-0.3 0, 0.0 -35,-0.2 -0.346 47.7 151.1 -61.5 135.1 1.7 10.2 -2.1 89 95 A W - 0 0 148 -37,-1.4 2,-2.2 -2,-0.0 3,-0.2 -0.934 60.2 -80.6-153.8 172.1 0.2 12.9 0.2 90 96 A G > + 0 0 22 -2,-0.3 3,-1.8 1,-0.2 -38,-0.2 -0.440 57.0 163.2 -80.9 69.4 -1.3 13.1 3.7 91 97 A K T 3 S+ 0 0 98 -2,-2.2 -1,-0.2 -40,-0.8 -39,-0.2 0.779 73.2 47.0 -59.2 -34.7 -4.7 11.9 2.7 92 98 A E T 3 S- 0 0 112 -41,-1.1 -1,-0.3 -3,-0.2 -41,-0.1 0.188 127.9 -97.4 -93.8 19.3 -5.9 11.0 6.2 93 99 A G S < S+ 0 0 71 -3,-1.8 -2,-0.2 1,-0.3 -3,-0.1 0.619 82.0 135.8 79.3 15.5 -4.7 14.5 7.4 94 100 A Q - 0 0 33 -43,-0.3 -1,-0.3 -5,-0.1 -71,-0.1 -0.641 62.7 -97.4 -97.5 153.0 -1.3 13.2 8.7 95 101 A P + 0 0 73 0, 0.0 -73,-2.0 0, 0.0 2,-0.3 -0.391 49.6 173.6 -65.2 142.0 2.1 14.8 8.2 96 102 A G E +E 21 0B 32 -75,-0.2 2,-0.3 -6,-0.1 -75,-0.2 -0.994 6.8 156.9-150.1 148.8 4.1 13.1 5.4 97 103 A E E -E 20 0B 88 -77,-2.3 -77,-2.8 -2,-0.3 2,-0.4 -0.984 40.1 -99.2-167.6 160.2 7.3 13.7 3.5 98 104 A W E -E 19 0B 72 -2,-0.3 2,-0.4 -79,-0.2 -79,-0.2 -0.728 36.8-176.6 -89.1 133.5 10.1 12.2 1.5 99 105 A M E -E 18 0B 48 -81,-2.3 -81,-3.1 -2,-0.4 5,-0.1 -0.996 26.6-116.6-132.6 134.5 13.3 11.3 3.3 100 106 A S E -E 17 0B 58 -2,-0.4 4,-0.4 -83,-0.3 3,-0.3 -0.369 20.2-128.3 -68.1 147.1 16.5 9.9 1.8 101 107 A L S > S+ 0 0 7 -85,-2.1 3,-1.7 1,-0.2 -1,-0.1 0.909 106.6 60.4 -60.1 -45.0 17.6 6.4 2.9 102 108 A V T 3 S+ 0 0 120 1,-0.3 -1,-0.2 -86,-0.3 -85,-0.1 0.854 106.8 46.3 -51.9 -40.3 21.1 7.6 3.8 103 109 A G T 3 S+ 0 0 56 -3,-0.3 -1,-0.3 2,-0.1 -2,-0.2 0.472 82.4 122.4 -86.1 -1.6 19.7 10.0 6.4 104 110 A L < - 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