==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=3-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER GENE REGULATION, LIGAND BINDING PROTEIN 15-FEB-07 2OVS . COMPND 2 MOLECULE: L0044; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR C.JOBICHEN,M.LI,J.SIVARAMAN . 236 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11864.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 164 69.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 126 53.4 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 . 8 3.4 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-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 . 22 9.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 14 5.9 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+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 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 . 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 PARALLEL BRIDGES PER LADDER . 0 4 0 4 6 0 0 6 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 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 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 -6 A G 0 0 95 0, 0.0 2,-0.3 0, 0.0 87,-0.0 0.000 360.0 360.0 360.0 168.7 16.9 37.5 11.4 2 -5 A L - 0 0 70 87,-0.1 87,-0.2 85,-0.1 85,-0.1 -0.667 360.0-175.4 -94.1 153.3 16.6 34.0 12.9 3 -4 A V E -A 88 0A 74 85,-1.6 85,-2.3 -2,-0.3 83,-0.1 -0.994 37.3 -92.0-147.8 145.1 18.3 31.0 11.4 4 -3 A P E +A 87 0A 92 0, 0.0 2,-0.3 0, 0.0 83,-0.2 -0.358 60.4 153.3 -59.3 127.4 18.2 27.3 12.2 5 -2 A R E -A 86 0A 68 81,-2.7 81,-3.1 -2,-0.1 2,-0.2 -0.974 49.8 -87.2-151.6 157.3 21.1 26.6 14.5 6 -1 A G E > -A 85 0A 18 -2,-0.3 3,-2.4 79,-0.2 79,-0.2 -0.478 32.3-129.5 -69.9 136.9 21.9 24.0 17.2 7 0 A S G > S+ 0 0 5 77,-1.3 3,-2.9 1,-0.3 -1,-0.1 0.870 105.6 69.1 -51.9 -39.9 20.6 25.0 20.7 8 1 A X G 3 S+ 0 0 58 76,-0.3 -1,-0.3 1,-0.3 -2,-0.1 0.609 85.6 70.2 -57.5 -11.7 24.0 24.2 22.1 9 2 A I G < S+ 0 0 92 -3,-2.4 -1,-0.3 2,-0.0 -2,-0.2 0.559 73.0 118.7 -83.2 -8.6 25.2 27.3 20.3 10 3 A X S < S- 0 0 27 -3,-2.9 80,-0.1 -4,-0.2 81,-0.1 -0.294 72.6-111.5 -57.5 139.2 23.3 29.5 22.7 11 4 A K - 0 0 85 79,-0.4 2,-0.2 1,-0.1 22,-0.1 -0.377 36.4-103.7 -68.9 152.5 25.4 32.0 24.7 12 5 A D S S+ 0 0 68 20,-0.1 2,-0.3 22,-0.1 22,-0.2 -0.485 75.5 74.8 -73.7 148.0 25.6 31.2 28.4 13 6 A G E S-B 33 0A 0 20,-2.4 20,-2.7 103,-0.2 2,-0.4 -0.970 80.7 -44.3 146.9-167.1 23.5 33.5 30.6 14 7 A I E -BC 32 115A 0 101,-2.8 100,-2.9 -2,-0.3 101,-1.4 -0.878 48.7-168.4-108.7 137.3 20.0 34.5 31.8 15 8 A Y E -BC 31 113A 5 16,-3.4 16,-2.6 -2,-0.4 2,-0.4 -0.923 19.5-134.1-125.8 152.6 17.1 34.7 29.4 16 9 A S E -BC 30 112A 17 96,-2.4 96,-2.3 -2,-0.3 2,-0.4 -0.808 31.3-159.9 -97.9 140.2 13.6 36.0 29.6 17 10 A I E -BC 29 111A 11 12,-3.0 12,-2.7 -2,-0.4 2,-0.4 -0.965 19.0-175.2-134.4 145.2 11.0 33.6 28.2 18 11 A I E +BC 28 110A 74 92,-2.4 92,-2.7 -2,-0.4 2,-0.3 -0.997 16.7 176.0-130.7 137.5 7.5 33.8 26.9 19 12 A F E -BC 27 109A 22 8,-2.7 8,-2.1 -2,-0.4 2,-0.4 -0.986 18.5-160.8-146.8 154.5 5.4 30.7 25.8 20 13 A I E -BC 26 108A 58 88,-1.8 88,-2.5 -2,-0.3 6,-0.2 -0.998 17.3-142.9-136.3 138.7 2.0 29.6 24.5 21 14 A S E > - C 0 107A 7 4,-2.4 3,-1.9 -2,-0.4 86,-0.2 -0.395 31.8-104.8 -96.2 173.1 0.5 26.2 24.6 22 15 A N T 3 S+ 0 0 48 84,-1.6 85,-0.1 1,-0.3 50,-0.1 0.794 124.1 62.3 -63.9 -27.6 -1.8 24.2 22.2 23 16 A E T 3 S- 0 0 88 48,-0.3 -1,-0.3 83,-0.3 3,-0.1 0.518 118.9-117.9 -74.6 -4.6 -4.5 25.0 24.9 24 17 A D < + 0 0 119 -3,-1.9 2,-0.4 1,-0.3 -2,-0.1 0.814 69.4 136.5 71.5 31.7 -3.8 28.6 23.9 25 18 A S - 0 0 44 46,-0.4 -4,-2.4 45,-0.0 2,-0.3 -0.878 39.9-148.9-107.9 143.2 -2.7 29.6 27.4 26 19 A C E +B 20 0A 92 -2,-0.4 2,-0.3 -6,-0.2 -6,-0.2 -0.772 17.9 171.5-115.0 159.2 0.4 31.8 27.9 27 20 A G E -B 19 0A 21 -8,-2.1 -8,-2.7 -2,-0.3 2,-0.3 -0.956 16.4-146.3-153.9 165.6 3.1 32.1 30.5 28 21 A E E +B 18 0A 98 -2,-0.3 15,-0.4 -10,-0.2 2,-0.3 -0.967 27.1 143.4-135.9 154.8 6.4 33.9 31.0 29 22 A G E -B 17 0A 8 -12,-2.7 -12,-3.0 -2,-0.3 2,-0.3 -0.884 40.2 -89.4-163.2-162.2 9.5 32.9 32.9 30 23 A I E -BD 16 41A 4 11,-2.1 11,-1.9 -2,-0.3 2,-0.4 -0.919 25.8-162.6-129.1 152.0 13.3 32.9 33.2 31 24 A L E -BD 15 40A 19 -16,-2.6 -16,-3.4 -2,-0.3 2,-0.5 -0.999 2.2-160.3-140.6 133.1 15.8 30.5 31.8 32 25 A I E -BD 14 39A 6 7,-3.3 7,-2.0 -2,-0.4 2,-0.5 -0.957 3.7-169.1-117.3 124.4 19.5 30.1 32.8 33 26 A K E +BD 13 38A 12 -20,-2.7 -20,-2.4 -2,-0.5 5,-0.2 -0.957 18.1 156.1-111.3 126.3 22.0 28.4 30.6 34 27 A N S S- 0 0 58 3,-2.0 -1,-0.1 -2,-0.5 4,-0.1 0.708 72.9 -27.0-109.9 -79.5 25.4 27.5 32.0 35 28 A G S S- 0 0 35 -23,-0.0 15,-0.0 0, 0.0 0, 0.0 0.584 120.7 -41.3 -99.4 -98.0 27.2 24.7 30.3 36 29 A N S S+ 0 0 74 -3,-0.1 15,-3.8 2,-0.0 2,-0.4 0.156 116.2 116.3-109.3 8.0 24.8 22.3 28.6 37 30 A X E - E 0 50A 56 13,-0.2 -3,-2.0 11,-0.0 2,-0.5 -0.642 47.2-169.9 -84.7 132.8 22.8 22.8 31.8 38 31 A I E +DE 33 49A 23 11,-3.0 11,-2.1 -2,-0.4 2,-0.4 -0.976 11.8 164.4-128.3 121.4 19.4 24.4 31.6 39 32 A T E +DE 32 48A 11 -7,-2.0 -7,-3.3 -2,-0.5 2,-0.3 -0.978 14.9 130.3-130.7 146.0 17.5 25.5 34.7 40 33 A G E -DE 31 47A 0 7,-2.4 7,-2.2 -2,-0.4 2,-0.3 -0.959 20.4-175.6-171.2-171.7 14.5 27.9 34.9 41 34 A G E -DE 30 46A 3 -11,-1.9 -11,-2.1 5,-0.3 5,-0.3 -0.955 14.6-143.6 174.3 170.1 11.0 28.6 36.1 42 35 A D - 0 0 27 3,-2.9 -13,-0.1 -2,-0.3 106,-0.1 -0.638 60.2 -66.5-134.1-167.7 7.9 30.7 36.3 43 36 A I S S+ 0 0 78 -15,-0.4 3,-0.1 -2,-0.2 105,-0.1 0.644 131.7 23.2 -65.5 -8.1 5.4 31.5 39.1 44 37 A A S S+ 0 0 2 1,-0.3 20,-4.0 20,-0.1 21,-1.5 0.660 121.2 31.4-129.0 -23.7 4.2 27.8 39.1 45 38 A S E - F 0 63A 10 18,-0.3 -3,-2.9 19,-0.2 2,-0.3 -0.944 54.2-151.3-137.3 158.8 6.8 25.5 37.6 46 39 A V E -EF 41 62A 0 16,-2.4 16,-3.0 -2,-0.3 2,-0.3 -0.889 16.5-153.5-123.6 154.7 10.6 25.1 37.4 47 40 A Y E +EF 40 61A 24 -7,-2.2 -7,-2.4 -2,-0.3 2,-0.3 -0.973 13.2 176.6-133.5 150.0 12.4 23.3 34.6 48 41 A Q E +EF 39 60A 8 12,-1.8 12,-3.3 -2,-0.3 2,-0.3 -0.988 14.1 133.9-152.3 143.3 15.7 21.5 34.2 49 42 A G E -EF 38 59A 8 -11,-2.1 -11,-3.0 -2,-0.3 2,-0.5 -0.974 41.7-110.0-173.7 172.0 17.5 19.6 31.6 50 43 A V E -E 37 0A 63 8,-0.6 8,-0.4 -2,-0.3 -13,-0.2 -0.980 37.7-106.7-125.4 127.0 20.8 19.1 29.8 51 44 A L - 0 0 6 -15,-3.8 5,-0.1 -2,-0.5 33,-0.0 -0.289 43.1-160.2 -49.3 108.8 21.6 20.1 26.2 52 45 A S + 0 0 20 -2,-0.2 4,-0.2 30,-0.1 -1,-0.1 0.976 22.0 170.4 -59.5 -93.6 21.6 16.6 24.6 53 46 A E S S+ 0 0 114 2,-1.0 3,-0.1 1,-0.1 31,-0.0 0.841 84.8 28.1 70.8 103.5 23.3 16.3 21.3 54 47 A D S S+ 0 0 77 1,-0.3 2,-0.3 3,-0.0 -1,-0.1 0.381 127.8 57.3 93.2 -3.7 23.6 12.5 20.6 55 48 A E S S- 0 0 157 29,-0.0 -2,-1.0 3,-0.0 2,-0.6 -0.971 100.3 -88.4-151.6 161.8 20.4 12.3 22.7 56 49 A D - 0 0 121 -2,-0.3 2,-0.6 -4,-0.2 28,-0.0 -0.657 48.8-122.5 -74.4 116.9 16.9 13.6 22.8 57 50 A I E - G 0 82A 14 25,-0.6 25,-3.0 -2,-0.6 2,-0.4 -0.517 34.2-163.2 -65.6 112.0 17.2 16.8 24.9 58 51 A I E - G 0 81A 36 -2,-0.6 -8,-0.6 -8,-0.4 2,-0.6 -0.857 10.8-162.2-104.1 133.2 14.8 16.2 27.7 59 52 A L E -FG 49 80A 19 21,-2.7 21,-2.4 -2,-0.4 2,-0.6 -0.955 12.5-146.1-116.9 115.3 13.5 19.0 29.9 60 53 A H E -FG 48 79A 88 -12,-3.3 -12,-1.8 -2,-0.6 2,-0.5 -0.712 14.5-158.9 -84.8 119.3 12.0 17.9 33.2 61 54 A V E -FG 47 78A 5 17,-3.5 17,-1.4 -2,-0.6 2,-0.5 -0.850 7.5-170.3-102.1 132.3 9.2 20.2 34.2 62 55 A H E -F 46 0A 42 -16,-3.0 -16,-2.4 -2,-0.5 2,-0.3 -0.970 13.0-145.8-128.7 121.1 8.1 20.4 37.9 63 56 A R E +F 45 0A 11 -2,-0.5 -18,-0.3 -18,-0.2 3,-0.1 -0.586 23.3 166.9 -78.0 138.8 5.0 22.1 39.1 64 57 A Y + 0 0 50 -20,-4.0 2,-0.4 -2,-0.3 -19,-0.2 0.476 66.9 46.5-131.2 -9.2 5.3 23.7 42.6 65 58 A N > + 0 0 34 -21,-1.5 3,-1.0 3,-0.1 -1,-0.2 -0.829 53.4 176.2-138.3 98.7 2.2 25.9 42.8 66 59 A Y T 3 S+ 0 0 122 -2,-0.4 4,-0.1 1,-0.2 -1,-0.1 0.459 73.8 77.9 -81.1 -2.2 -1.1 24.2 41.9 67 60 A E T 3 S+ 0 0 180 2,-0.1 -1,-0.2 1,-0.0 -23,-0.0 0.581 93.9 64.2 -78.3 -10.0 -3.2 27.2 42.8 68 61 A I S < S- 0 0 45 -3,-1.0 -3,-0.1 -24,-0.1 -1,-0.0 -0.957 96.6-117.6-114.2 128.5 -1.9 28.5 39.5 69 62 A P - 0 0 98 0, 0.0 2,-0.3 0, 0.0 -2,-0.1 -0.185 22.7-114.0 -65.0 155.0 -2.9 26.6 36.3 70 63 A S > - 0 0 8 1,-0.1 3,-1.3 -4,-0.1 -4,-0.0 -0.713 18.2-130.2 -85.5 139.6 -0.4 24.8 34.1 71 64 A V T 3 S+ 0 0 20 -2,-0.3 -46,-0.4 1,-0.3 -48,-0.3 0.808 115.8 39.5 -58.3 -25.7 -0.2 26.4 30.6 72 65 A L T 3 S- 0 0 3 -50,-0.1 -1,-0.3 -51,-0.1 -52,-0.0 0.363 105.2-131.0-103.3 0.7 -0.7 22.7 29.5 73 66 A N < + 0 0 87 -3,-1.3 -2,-0.1 1,-0.1 0, 0.0 0.835 61.9 135.9 52.5 39.3 -3.3 21.7 32.1 74 67 A I - 0 0 40 2,-0.1 -1,-0.1 4,-0.0 3,-0.1 0.902 47.6-150.9 -84.8 -42.1 -1.3 18.5 33.0 75 68 A E + 0 0 106 1,-0.2 2,-0.3 0, 0.0 -9,-0.0 0.841 65.2 43.4 74.7 37.0 -1.5 18.6 36.8 76 69 A Q S S- 0 0 128 -15,-0.0 2,-0.3 0, 0.0 -1,-0.2 -0.950 98.7 -53.1 175.5 177.8 1.8 16.7 37.6 77 70 A D + 0 0 84 -2,-0.3 2,-0.3 -15,-0.1 -15,-0.2 -0.539 60.4 164.4 -76.3 133.5 5.5 16.5 36.7 78 71 A Y E -G 61 0A 34 -17,-1.4 -17,-3.5 -2,-0.3 2,-0.4 -0.822 32.2-112.3-141.4-179.7 6.3 15.9 33.0 79 72 A Q E -G 60 0A 61 -2,-0.3 21,-2.3 -19,-0.2 2,-0.4 -0.951 16.3-160.4-122.8 136.3 8.9 16.0 30.3 80 73 A L E -GH 59 99A 14 -21,-2.4 -21,-2.7 -2,-0.4 2,-0.7 -0.925 19.2-132.9-111.4 139.0 9.2 18.2 27.3 81 74 A V E -GH 58 98A 23 17,-2.8 17,-0.9 -2,-0.4 -23,-0.2 -0.834 19.7-148.8 -93.7 118.3 11.3 17.3 24.3 82 75 A I E -G 57 0A 23 -25,-3.0 -25,-0.6 -2,-0.7 -30,-0.1 -0.773 21.8-112.8 -91.9 127.5 13.6 20.1 23.2 83 76 A P - 0 0 38 0, 0.0 -76,-0.2 0, 0.0 -1,-0.1 -0.112 12.7-131.8 -53.4 149.8 14.4 20.3 19.5 84 77 A K S S+ 0 0 107 1,-0.2 -77,-1.3 -78,-0.1 2,-0.4 0.785 94.5 40.9 -74.9 -27.6 18.0 19.7 18.4 85 78 A K E -A 6 0A 137 -79,-0.2 2,-0.3 -78,-0.1 -79,-0.2 -0.973 69.1-173.8-128.5 141.5 17.8 22.9 16.3 86 79 A V E -A 5 0A 6 -81,-3.1 -81,-2.7 -2,-0.4 2,-0.7 -0.796 33.7-108.2-125.3 163.5 16.2 26.2 17.0 87 80 A L E +AI 4 94A 84 7,-1.6 7,-1.9 -2,-0.3 2,-0.3 -0.856 60.9 164.1 -92.5 116.6 15.5 29.4 15.0 88 81 A S E -AI 3 93A 11 -85,-2.3 -85,-1.6 -2,-0.7 5,-0.2 -0.948 39.7-167.7-148.5 166.6 18.0 31.9 16.5 89 82 A N - 0 0 54 3,-2.6 -87,-0.1 -2,-0.3 -84,-0.0 -0.599 58.2 -84.5-124.6-177.9 20.0 35.1 16.5 90 83 A D S S+ 0 0 117 -2,-0.2 -79,-0.4 1,-0.2 -88,-0.0 0.878 129.7 16.4 -65.9 -33.2 22.9 36.1 18.8 91 84 A N S S+ 0 0 67 -81,-0.1 22,-3.0 21,-0.0 2,-0.3 0.380 121.4 55.9-123.5 9.0 20.3 37.2 21.4 92 85 A N E + J 0 112A 39 20,-0.2 -3,-2.6 2,-0.0 2,-0.3 -0.971 50.2 166.2-141.4 152.7 16.9 35.7 20.4 93 86 A L E -IJ 88 111A 8 18,-2.0 18,-3.0 -2,-0.3 2,-0.3 -0.983 14.6-161.2-164.5 154.1 15.4 32.3 19.7 94 87 A T E +IJ 87 110A 43 -7,-1.9 -7,-1.6 -2,-0.3 2,-0.3 -0.954 14.5 171.9-134.4 154.6 12.2 30.4 19.3 95 88 A L E - 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