==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=5-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 27-JUN-01 1JHE . COMPND 2 MOLECULE: LEXA REPRESSOR; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR Y.LUO,R.A.PFUETZNER,S.MOSIMANN,J.W.LITTLE,N.C.J STRYNADKA . 248 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12380.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 182 73.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 16 6.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 92 37.1 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 . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 1.6 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 . 34 13.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 22 8.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), 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 . 2 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 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 RESIDUES PER ALPHA HELIX . 2 0 0 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 0 PARALLEL BRIDGES PER LADDER . 2 3 3 6 2 3 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 . 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 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 75 A G 0 0 64 0, 0.0 24,-0.2 0, 0.0 26,-0.1 0.000 360.0 360.0 360.0 159.9 45.4 10.7 16.0 2 76 A L E -A 24 0A 4 22,-2.0 22,-3.1 24,-0.2 2,-0.3 -0.392 360.0-136.5 -64.3 123.8 46.8 7.4 14.8 3 77 A P E -A 23 0A 22 0, 0.0 35,-3.4 0, 0.0 2,-0.6 -0.598 3.9-147.1 -84.3 135.6 50.4 6.9 16.1 4 78 A L E +Ab 22 38A 10 18,-2.6 17,-3.3 -2,-0.3 18,-1.0 -0.904 20.3 177.2 -97.7 119.4 53.2 5.5 13.9 5 79 A V E - 0 0 15 33,-2.2 14,-1.7 -2,-0.6 2,-0.3 0.288 46.2 -78.6-110.4 11.4 55.5 3.5 16.2 6 80 A G E - 0 0 4 32,-0.3 34,-2.6 12,-0.2 -1,-0.3 -0.850 62.0 -28.1 133.8-168.7 58.1 2.1 13.9 7 81 A R E - b 0 40A 108 -2,-0.3 2,-0.3 32,-0.2 34,-0.2 -0.426 34.7-168.8 -89.1 161.8 59.0 -0.5 11.3 8 82 A V E - b 0 41A 0 32,-2.2 34,-1.7 -2,-0.1 2,-0.6 -0.981 24.9-121.9-145.9 140.1 57.8 -4.1 10.7 9 83 A A E -cb 80 42A 2 70,-0.9 72,-1.9 -2,-0.3 2,-1.4 -0.762 11.9-164.4 -94.6 125.1 59.4 -6.5 8.3 10 84 A A S S+ 0 0 0 32,-2.9 35,-2.4 -2,-0.6 2,-0.3 -0.672 89.7 18.2 -97.1 70.8 57.4 -8.0 5.5 11 85 A G S S+ 0 0 13 -2,-1.4 70,-0.2 70,-0.2 -2,-0.1 -0.944 124.3 15.2 163.0-141.7 60.2 -10.6 5.3 12 86 A E S S- 0 0 174 -2,-0.3 67,-0.1 1,-0.1 -2,-0.1 -0.443 92.4 -99.4 -62.7 124.2 62.9 -11.6 7.8 13 87 A P - 0 0 26 0, 0.0 67,-0.2 0, 0.0 -1,-0.1 -0.148 45.9-153.0 -46.1 123.0 61.9 -10.2 11.3 14 88 A L E -D 79 0A 24 65,-2.2 65,-2.6 -3,-0.1 -5,-0.2 -0.747 18.7-100.5-107.9 153.9 63.8 -7.1 11.8 15 89 A P E +D 78 0A 97 0, 0.0 2,-0.3 0, 0.0 63,-0.2 -0.456 47.7 167.0 -67.1 134.7 65.0 -5.4 15.1 16 90 A A - 0 0 12 61,-0.8 2,-1.1 -2,-0.2 -2,-0.0 -0.764 31.1-159.6-160.4 110.0 62.8 -2.5 16.1 17 91 A Q - 0 0 167 -2,-0.3 -10,-0.1 61,-0.0 61,-0.0 -0.781 36.4-134.9 -86.5 100.5 62.5 -0.6 19.3 18 92 A W + 0 0 57 -2,-1.1 2,-0.3 -12,-0.1 -12,-0.2 -0.330 36.1 161.7 -62.2 139.5 59.0 0.8 18.8 19 93 A H - 0 0 134 -14,-1.7 2,-0.6 -2,-0.0 -2,-0.0 -0.963 49.2 -92.0-158.4 142.0 58.6 4.5 19.7 20 94 A I + 0 0 81 -2,-0.3 -15,-0.2 1,-0.2 3,-0.1 -0.441 47.6 165.6 -62.3 106.9 56.0 7.1 18.8 21 95 A E - 0 0 122 -17,-3.3 2,-0.3 -2,-0.6 -1,-0.2 0.650 58.0 -28.1 -98.6 -18.5 57.4 8.8 15.6 22 96 A G E -A 4 0A 22 -18,-1.0 -18,-2.6 2,-0.0 2,-0.4 -0.992 52.5-111.3-179.4 175.3 54.2 10.6 14.4 23 97 A H E -A 3 0A 114 -2,-0.3 2,-0.5 -20,-0.2 -21,-0.1 -0.993 16.3-159.9-132.8 134.3 50.5 10.9 14.2 24 98 A Y E -A 2 0A 39 -22,-3.1 -22,-2.0 -2,-0.4 2,-1.7 -0.950 22.9-130.1-113.6 125.8 48.2 10.5 11.2 25 99 A Q + 0 0 110 -2,-0.5 127,-2.8 -24,-0.2 2,-0.4 -0.587 58.7 133.9 -76.5 89.3 44.7 12.0 11.4 26 100 A V B -U 151 0B 5 -2,-1.7 -24,-0.2 125,-0.2 125,-0.2 -0.941 63.5-110.5-142.4 113.5 42.8 9.0 10.2 27 101 A D > - 0 0 57 123,-2.3 3,-1.4 -2,-0.4 4,-0.1 -0.149 18.5-147.3 -43.3 125.4 39.7 7.8 12.0 28 102 A P G > S+ 0 0 48 0, 0.0 7,-1.3 0, 0.0 3,-1.3 0.752 95.1 71.5 -69.9 -19.8 40.5 4.6 13.9 29 103 A S G 3 S+ 0 0 71 1,-0.3 -2,-0.1 5,-0.2 5,-0.0 0.586 74.2 82.4 -69.9 -13.3 36.9 3.6 13.2 30 104 A L G < S+ 0 0 24 -3,-1.4 2,-0.3 120,-0.1 -1,-0.3 0.682 91.0 56.7 -66.5 -17.8 37.7 3.1 9.5 31 105 A F S < S- 0 0 4 -3,-1.3 4,-0.1 -4,-0.1 89,-0.1 -0.797 91.7-105.1-115.0 158.5 39.0 -0.3 10.2 32 106 A K S S+ 0 0 193 87,-0.4 2,-0.2 -2,-0.3 28,-0.1 -0.943 111.0 22.6-129.0 113.1 37.4 -3.3 11.9 33 107 A P S S- 0 0 45 0, 0.0 -1,-0.0 0, 0.0 -3,-0.0 0.578 119.2 -93.4 -71.6 173.1 38.5 -3.7 14.6 34 108 A N - 0 0 81 -2,-0.2 2,-0.3 1,-0.1 -5,-0.2 -0.164 39.6-117.3 -53.0 144.1 39.7 -0.2 15.3 35 109 A A - 0 0 2 -7,-1.3 25,-0.3 1,-0.1 -1,-0.1 -0.691 26.1-173.7 -85.3 138.8 43.3 0.5 14.5 36 110 A D - 0 0 76 23,-3.5 2,-0.3 -2,-0.3 24,-0.2 0.614 64.0 -9.3-105.6 -21.6 45.4 1.4 17.5 37 111 A F E - E 0 59A 14 22,-1.5 22,-1.9 -35,-0.1 -1,-0.3 -0.993 61.1-114.7-168.6 168.8 48.6 2.2 15.6 38 112 A L E -bE 4 58A 0 -35,-3.4 -33,-2.2 -2,-0.3 2,-0.3 -0.810 15.9-164.1-117.0 156.1 50.6 2.2 12.4 39 113 A L E - E 0 57A 0 18,-1.1 18,-2.5 -2,-0.3 2,-0.6 -0.963 24.5-121.9-133.7 147.9 53.8 0.4 11.2 40 114 A R E -bE 7 56A 98 -34,-2.6 -32,-2.2 -2,-0.3 2,-0.3 -0.829 32.0-133.3 -91.7 124.3 56.1 1.1 8.3 41 115 A V E -b 8 0A 1 14,-2.9 13,-3.0 -2,-0.6 2,-0.4 -0.605 21.7-171.4 -80.5 139.6 56.2 -2.0 6.1 42 116 A S E +b 9 0A 41 -34,-1.7 -32,-2.9 -2,-0.3 2,-0.1 -0.958 49.5 18.6-133.6 112.2 59.7 -3.0 4.9 43 117 A G S S- 0 0 23 -2,-0.4 3,-0.2 -34,-0.2 -32,-0.2 -0.416 73.5-100.6 116.8 167.7 60.0 -5.8 2.4 44 118 A M S > S+ 0 0 67 -2,-0.1 3,-1.7 1,-0.1 4,-0.2 0.178 76.6 113.5-112.5 15.3 57.9 -7.6 -0.3 45 119 A S T 3 S+ 0 0 4 -35,-2.4 51,-3.2 1,-0.3 3,-0.3 0.797 85.5 42.8 -60.0 -27.7 56.9 -10.9 1.5 46 120 A M T > >S+ 0 0 0 5,-0.3 5,-2.0 49,-0.2 3,-1.0 -0.090 78.0 117.9-107.8 34.6 53.2 -9.8 1.5 47 121 A K G X 5 + 0 0 68 -3,-1.7 3,-2.5 1,-0.2 50,-0.2 0.864 60.6 70.4 -68.5 -36.6 53.1 -8.5 -2.0 48 122 A D G 3 5S+ 0 0 53 48,-2.9 -1,-0.2 1,-0.3 49,-0.1 0.568 104.6 41.8 -62.0 -5.9 50.6 -11.0 -3.3 49 123 A I G < 5S- 0 0 48 -3,-1.0 -1,-0.3 47,-0.2 -2,-0.2 0.141 126.4 -93.4-124.1 20.3 47.9 -9.3 -1.2 50 124 A G T < 5S+ 0 0 0 -3,-2.5 2,-0.9 1,-0.2 -3,-0.2 0.564 79.4 135.5 84.8 8.3 48.9 -5.7 -1.9 51 125 A I < - 0 0 7 -5,-2.0 -5,-0.3 -7,-0.1 2,-0.3 -0.815 35.2-176.3 -93.1 105.9 51.2 -5.0 1.1 52 126 A M > - 0 0 29 -2,-0.9 3,-2.5 1,-0.1 -11,-0.2 -0.738 35.4 -86.0-106.4 151.0 54.1 -3.2 -0.5 53 127 A D T 3 S+ 0 0 83 -2,-0.3 -11,-0.2 1,-0.3 -1,-0.1 -0.189 117.6 27.2 -47.5 140.0 57.4 -1.9 0.9 54 128 A G T 3 S+ 0 0 28 -13,-3.0 -1,-0.3 1,-0.3 70,-0.3 0.152 90.7 133.6 90.9 -21.0 56.8 1.6 2.4 55 129 A D < - 0 0 5 -3,-2.5 -14,-2.9 -15,-0.1 2,-0.6 -0.268 59.0-121.9 -64.2 148.3 53.1 1.0 3.1 56 130 A L E -EF 40 122A 0 66,-3.1 66,-2.5 -16,-0.2 2,-0.6 -0.833 26.3-152.9 -94.0 122.5 51.6 2.0 6.4 57 131 A L E -EF 39 121A 2 -18,-2.5 -18,-1.1 -2,-0.6 64,-0.2 -0.869 5.8-142.2-100.8 119.4 50.0 -1.1 8.1 58 132 A A E -EF 38 120A 0 62,-2.6 61,-1.7 -2,-0.6 62,-0.8 -0.545 21.5-167.4 -78.5 145.5 47.1 -0.4 10.5 59 133 A V E -EF 37 118A 0 -22,-1.9 -23,-3.5 59,-0.2 -22,-1.5 -0.997 19.8-150.8-141.7 136.0 47.1 -2.7 13.6 60 134 A H E - F 0 117A 45 57,-2.3 57,-2.0 -2,-0.4 2,-0.7 -0.897 33.2-122.0-101.7 128.3 44.5 -3.4 16.2 61 135 A K E + F 0 116A 109 -2,-0.5 2,-0.3 55,-0.2 55,-0.2 -0.637 56.9 124.0 -82.2 116.1 46.2 -4.3 19.5 62 136 A T - 0 0 44 53,-0.8 3,-0.1 -2,-0.7 -2,-0.1 -0.972 51.2-146.8-162.3 154.4 45.3 -7.7 20.8 63 137 A Q S S+ 0 0 147 -2,-0.3 2,-1.2 1,-0.2 53,-0.1 0.773 85.1 76.3 -94.2 -33.6 47.1 -10.9 21.8 64 138 A D + 0 0 139 53,-0.0 2,-0.3 2,-0.0 -1,-0.2 -0.656 55.7 147.3 -91.5 90.1 44.3 -13.3 20.6 65 139 A V - 0 0 21 -2,-1.2 2,-0.2 -3,-0.1 3,-0.1 -0.897 37.1-127.1-117.0 147.0 44.3 -13.6 16.8 66 140 A R > - 0 0 192 -2,-0.3 3,-2.1 1,-0.1 18,-0.2 -0.623 30.5 -78.2-104.4 160.1 43.3 -16.8 15.0 67 141 A N T 3 S+ 0 0 79 1,-0.3 18,-0.2 -2,-0.2 -1,-0.1 -0.106 114.6 30.9 -45.0 137.4 44.7 -19.1 12.4 68 142 A G T 3 S+ 0 0 41 16,-3.4 -1,-0.3 1,-0.4 2,-0.1 0.126 94.0 112.9 97.1 -22.1 44.4 -17.7 8.9 69 143 A Q S < S- 0 0 65 -3,-2.1 15,-2.7 14,-0.1 2,-0.6 -0.429 73.4-110.2 -84.4 159.9 44.7 -14.0 9.9 70 144 A V E -G 83 0A 17 48,-0.3 48,-2.6 13,-0.2 13,-0.2 -0.801 47.2-178.5 -89.2 121.9 47.5 -11.6 9.1 71 145 A V E -GH 82 117A 0 11,-2.8 11,-1.7 -2,-0.6 2,-0.5 -0.708 34.2-130.7-120.1 171.3 49.4 -10.8 12.2 72 146 A V E +GH 81 116A 0 44,-2.0 43,-1.9 -2,-0.2 44,-1.3 -0.996 40.1 178.7-116.8 117.6 52.3 -8.8 13.5 73 147 A A E -GH 80 114A 0 7,-2.3 7,-2.0 -2,-0.5 2,-0.4 -0.891 20.3-145.4-125.4 157.2 54.5 -11.1 15.6 74 148 A R E +GH 79 113A 39 39,-3.1 39,-2.3 -2,-0.3 2,-0.3 -0.958 18.1 170.3-123.9 140.6 57.8 -10.7 17.5 75 149 A I E > S-G 78 0A 6 3,-2.4 3,-3.1 -2,-0.4 37,-0.1 -0.975 75.3 -1.2-147.6 136.7 60.5 -13.3 18.0 76 150 A D T 3 S- 0 0 113 35,-0.5 3,-0.1 -2,-0.3 -1,-0.1 0.875 130.3 -61.5 43.6 46.2 64.0 -12.7 19.5 77 151 A D T 3 S+ 0 0 121 1,-0.2 -61,-0.8 -62,-0.1 2,-0.4 0.438 114.6 117.5 63.2 3.4 62.9 -9.1 19.8 78 152 A A E < -DG 15 75A 5 -3,-3.1 -3,-2.4 -63,-0.2 2,-0.3 -0.810 54.9-138.9-105.4 142.2 62.4 -8.7 16.1 79 153 A V E +DG 14 74A 0 -65,-2.6 -65,-2.2 -2,-0.4 -70,-0.9 -0.721 24.5 162.1-104.1 151.9 59.1 -8.0 14.3 80 154 A T E -cG 9 73A 3 -7,-2.0 -7,-2.3 -2,-0.3 2,-0.4 -0.944 27.1-133.7-153.7 165.5 57.5 -9.3 11.2 81 155 A V E + G 0 72A 1 -72,-1.9 2,-0.3 -2,-0.3 -9,-0.2 -0.991 42.7 124.8-129.3 135.2 54.1 -9.5 9.5 82 156 A A E - 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