==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=10-JUN-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSCRIPTION 28-DEC-11 3VA6 . COMPND 2 MOLECULE: TWO-COMPONENT SYSTEM SENSOR HISTIDINE KINASE; . SOURCE 2 ORGANISM_SCIENTIFIC: BACTEROIDES THETAIOTAOMICRON; . AUTHOR Z.ZHANG,Q.LIU,W.A.HENDRICKSON . 1490 5 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 64459.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 968 65.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 18 1.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 576 38.7 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 23 1.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 25 1.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 32 2.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 6 0.4 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 . 191 12.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 98 6.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 34 2.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 12 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 3 1 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 1 1 1 1 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 . 8 2 20 16 36 19 2 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 2 30 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 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 36 A Y 0 0 66 0, 0.0 3,-0.0 0, 0.0 294,-0.0 0.000 360.0 360.0 360.0 41.3 -14.2 19.2 3.5 2 37 A Q + 0 0 179 1,-0.1 2,-0.3 265,-0.1 264,-0.1 0.668 360.0 29.9 -86.7 -16.2 -13.8 16.2 5.8 3 38 A Q - 0 0 115 264,-0.1 2,-0.3 2,-0.0 264,-0.2 -0.981 62.4-167.7-147.3 151.6 -10.2 15.5 4.7 4 39 A F - 0 0 13 262,-1.8 2,-0.6 -2,-0.3 291,-0.2 -0.917 25.1-128.6-137.5 159.5 -7.1 17.3 3.4 5 40 A D E -A 294 0A 47 289,-2.3 289,-2.1 -2,-0.3 2,-0.3 -0.963 36.8-147.2-112.2 111.2 -3.7 16.5 1.8 6 41 A N E -A 293 0A 34 -2,-0.6 2,-0.4 259,-0.3 287,-0.2 -0.676 14.0-167.8 -92.4 135.5 -1.2 18.4 3.9 7 42 A I E -A 292 0A 12 285,-2.3 285,-2.6 -2,-0.3 2,-0.3 -0.956 2.5-163.5-129.4 134.1 2.0 20.0 2.5 8 43 A Y - 0 0 106 -2,-0.4 35,-0.2 283,-0.2 3,-0.1 -0.897 15.8-160.5-128.0 150.3 5.0 21.3 4.4 9 44 A L - 0 0 17 1,-0.5 2,-0.2 4,-0.4 5,-0.1 0.550 61.3 -69.4-105.5 -10.0 7.9 23.6 3.5 10 45 A G - 0 0 41 1,-0.1 -1,-0.5 3,-0.1 281,-0.1 -0.660 52.0 -81.7 130.3 162.3 10.4 22.9 6.2 11 46 A A S S+ 0 0 102 -2,-0.2 3,-0.5 1,-0.2 -1,-0.1 0.822 128.1 50.0 -70.2 -35.9 10.7 23.7 9.9 12 47 A E S S+ 0 0 85 1,-0.2 2,-1.2 -3,-0.1 3,-0.3 0.948 110.2 50.3 -64.7 -49.1 11.8 27.3 9.2 13 48 A A + 0 0 1 1,-0.2 -4,-0.4 -4,-0.1 -1,-0.2 -0.403 64.8 136.4 -98.1 57.5 9.0 28.1 6.7 14 49 A S + 0 0 28 -2,-1.2 277,-2.9 -3,-0.5 2,-0.6 0.722 52.6 77.9 -69.2 -23.9 6.0 27.0 8.7 15 50 A V - 0 0 15 -3,-0.3 17,-1.7 275,-0.2 2,-0.5 -0.829 56.9-169.8-110.9 120.0 3.9 30.1 7.8 16 51 A V E +D 31 0B 0 272,-2.1 258,-0.4 -2,-0.6 15,-0.2 -0.899 11.3 170.1-111.0 122.2 2.1 30.5 4.5 17 52 A S E + 0 0 9 13,-2.1 2,-0.3 -2,-0.5 14,-0.1 0.628 60.4 2.0-110.0 -20.1 0.5 33.9 3.7 18 53 A C E -D 30 0B 13 12,-1.0 12,-2.8 41,-0.1 2,-0.3 -0.991 50.9-147.9-162.4 162.7 -0.4 33.7 0.1 19 54 A F E -D 29 0B 8 -2,-0.3 2,-0.3 10,-0.2 10,-0.2 -0.955 9.2-173.3-128.5 151.2 -0.7 31.6 -3.1 20 55 A L E -D 28 0B 30 8,-2.1 8,-3.3 -2,-0.3 2,-0.5 -0.983 11.1-153.2-137.0 148.2 -0.4 32.4 -6.8 21 56 A Q E -D 27 0B 16 -2,-0.3 6,-0.2 6,-0.2 41,-0.1 -0.988 20.1-134.4-118.0 122.6 -1.0 30.2 -9.8 22 57 A D > - 0 0 0 4,-2.3 3,-2.5 -2,-0.5 44,-0.0 -0.223 32.9 -97.8 -70.4 165.5 0.8 31.1 -13.1 23 58 A S T 3 S+ 0 0 69 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.679 125.9 51.4 -57.3 -19.3 -1.0 31.1 -16.4 24 59 A E T 3 S- 0 0 86 2,-0.1 -1,-0.3 0, 0.0 -2,-0.1 0.289 122.1-100.5-105.9 10.1 0.4 27.6 -17.0 25 60 A G S < S+ 0 0 10 -3,-2.5 2,-0.3 1,-0.3 -2,-0.1 0.227 71.0 137.4 105.0 -14.1 -0.7 26.1 -13.7 26 61 A L - 0 0 10 -5,-0.1 -4,-2.3 1,-0.1 2,-0.3 -0.520 48.0-133.6 -72.5 130.9 2.3 26.0 -11.3 27 62 A I E -DE 21 38B 0 11,-0.9 11,-1.8 -2,-0.3 2,-0.4 -0.653 17.3-160.1 -84.6 140.4 1.4 27.0 -7.8 28 63 A W E -DE 20 37B 9 -8,-3.3 -8,-2.1 -2,-0.3 2,-0.4 -0.947 4.1-154.8-120.4 145.9 3.6 29.4 -6.0 29 64 A I E -DE 19 36B 0 7,-2.5 7,-2.6 -2,-0.4 2,-0.5 -0.965 7.9-146.8-126.7 128.9 3.6 29.8 -2.2 30 65 A G E +DE 18 35B 3 -12,-2.8 -13,-2.1 -2,-0.4 -12,-1.0 -0.860 28.8 178.1 -94.0 126.7 4.6 32.8 -0.1 31 66 A S E > -DE 16 34B 0 3,-2.1 3,-1.7 -2,-0.5 26,-1.2 -0.827 47.0-100.4-125.9 164.7 6.2 31.8 3.2 32 67 A N T 3 S+ 0 0 34 -17,-1.7 24,-0.1 -2,-0.3 -16,-0.1 0.593 125.7 40.4 -60.2 -11.0 7.7 33.5 6.2 33 68 A K T 3 S- 0 0 79 1,-0.3 2,-0.3 -18,-0.2 -1,-0.3 0.406 123.9 -79.2-118.0 2.1 11.1 32.7 4.7 34 69 A G E < -E 31 0B 0 -3,-1.7 -3,-2.1 20,-0.2 2,-0.5 -0.911 67.3 -22.4 136.9-166.2 10.5 33.4 1.0 35 70 A L E +E 30 0B 5 18,-0.4 11,-2.6 -2,-0.3 2,-0.3 -0.732 50.1 174.4 -90.6 128.0 9.0 32.1 -2.2 36 71 A F E -EF 29 45B 0 -7,-2.6 -7,-2.5 -2,-0.5 2,-0.3 -0.803 16.6-150.4-110.7 165.0 8.5 28.4 -2.9 37 72 A S E -EF 28 44B 8 7,-2.4 7,-2.1 -2,-0.3 2,-0.4 -0.914 5.7-156.7-120.9 163.2 6.8 26.6 -5.7 38 73 A Y E -EF 27 43B 20 -11,-1.8 -11,-0.9 -2,-0.3 5,-0.2 -0.985 7.2-170.7-139.9 125.6 5.0 23.2 -5.4 39 74 A D - 0 0 7 3,-1.9 634,-0.5 -2,-0.4 4,-0.1 0.289 57.8 -93.0-103.8 11.4 4.6 20.9 -8.5 40 75 A G S S+ 0 0 4 2,-0.2 3,-0.1 633,-0.2 631,-0.0 0.005 122.0 51.5 100.0 -27.3 2.3 18.4 -7.0 41 76 A Y S S- 0 0 37 1,-0.4 2,-0.3 661,-0.1 630,-0.1 0.775 118.4 -6.8-109.8 -44.8 5.1 16.0 -5.9 42 77 A S - 0 0 43 -35,-0.0 -3,-1.9 2,-0.0 -1,-0.4 -0.963 65.1-109.4-148.9 164.7 7.6 18.2 -3.9 43 78 A T E -F 38 0B 45 -2,-0.3 2,-0.3 -5,-0.2 -5,-0.2 -0.493 25.6-162.8 -88.4 162.7 8.3 21.8 -2.9 44 79 A Q E -F 37 0B 37 -7,-2.1 -7,-2.4 -2,-0.2 2,-0.2 -0.948 11.5-137.0-148.8 127.7 11.1 23.9 -4.2 45 80 A Q E -F 36 0B 90 -2,-0.3 -9,-0.2 -9,-0.2 -11,-0.0 -0.570 8.3-165.6 -84.9 150.0 12.6 27.1 -2.8 46 81 A H + 0 0 7 -11,-2.6 2,-0.3 -2,-0.2 -11,-0.3 -0.405 63.5 73.0-128.8 54.5 13.5 30.1 -4.9 47 82 A F - 0 0 3 -13,-0.1 2,-0.4 7,-0.1 -2,-0.1 -0.962 69.2-129.1-162.4 152.3 15.6 32.1 -2.4 48 83 A T > - 0 0 50 -2,-0.3 3,-1.5 1,-0.1 6,-0.3 -0.889 38.0 -95.9-113.8 139.9 19.1 31.8 -0.8 49 84 A Y T 3 S+ 0 0 202 -2,-0.4 3,-0.1 1,-0.2 -1,-0.1 -0.185 105.8 11.7 -57.0 138.7 19.7 32.0 2.9 50 85 A G T 3 S+ 0 0 61 1,-0.3 -1,-0.2 4,-0.2 0, 0.0 0.018 99.3 119.3 88.2 -28.6 20.8 35.4 4.2 51 86 A E S X S- 0 0 94 -3,-1.5 3,-2.6 1,-0.1 -1,-0.3 -0.215 81.9-103.9 -73.4 162.7 19.9 37.2 1.0 52 87 A N T 3 S+ 0 0 115 1,-0.3 22,-0.2 -3,-0.1 -1,-0.1 0.723 122.4 57.9 -54.9 -24.2 17.3 40.0 0.7 53 88 A N T 3 S+ 0 0 5 1,-0.2 2,-1.4 -5,-0.2 -18,-0.4 0.510 81.9 85.5 -86.8 -8.8 14.9 37.4 -0.9 54 89 A N S < S+ 0 0 31 -3,-2.6 2,-0.3 -6,-0.3 -20,-0.2 -0.581 76.4 113.0 -86.9 68.5 15.1 35.2 2.2 55 90 A T S S- 0 0 26 -2,-1.4 -24,-0.2 -24,-0.1 2,-0.1 -0.901 76.1 -82.3-143.9 160.7 12.3 37.2 3.7 56 91 A R - 0 0 69 -2,-0.3 2,-0.5 -23,-0.2 17,-0.5 -0.435 37.9-145.7 -70.3 138.8 8.7 36.9 4.7 57 92 A I E +G 72 0C 0 -26,-1.2 -40,-0.2 -23,-0.2 15,-0.2 -0.939 18.9 178.2-107.1 124.0 6.1 37.4 1.9 58 93 A Y E - 0 0 44 13,-2.3 2,-0.2 -2,-0.5 14,-0.1 0.801 65.3 -12.9 -92.5 -30.0 2.8 39.1 2.9 59 94 A C E - 0 0 15 12,-0.5 12,-1.8 38,-0.1 2,-0.3 -0.908 59.1-161.9-160.8 178.9 1.1 39.1 -0.5 60 95 A G E -G 70 0C 21 -2,-0.2 2,-0.3 10,-0.2 10,-0.2 -0.985 9.5-176.9-174.2 156.2 1.6 38.7 -4.2 61 96 A V E -G 69 0C 25 8,-1.3 8,-2.6 -2,-0.3 2,-0.5 -0.961 30.7-116.0-159.8 146.8 0.3 39.2 -7.8 62 97 A I E -G 68 0C 43 -2,-0.3 2,-0.4 6,-0.2 6,-0.2 -0.839 30.6-165.4 -96.0 127.2 1.5 38.2 -11.3 63 98 A I E >> -G 67 0C 2 4,-2.5 4,-2.4 -2,-0.5 3,-2.1 -0.891 63.6 -7.3-114.4 141.2 2.5 41.0 -13.7 64 99 A D T 34 S- 0 0 23 -2,-0.4 1052,-0.5 1,-0.3 -1,-0.1 0.596 109.7 -81.5 57.4 19.1 3.1 40.8 -17.5 65 100 A N T 34 S+ 0 0 39 2,-0.2 -1,-0.3 1,-0.1 3,-0.1 0.755 129.6 63.4 57.4 25.5 2.7 37.0 -17.5 66 101 A T T <4 S+ 0 0 7 -3,-2.1 15,-1.2 1,-0.2 16,-0.8 0.450 86.2 68.6-147.1 -10.2 6.3 36.7 -16.4 67 102 A Y E < -GH 63 80C 12 -4,-2.4 -4,-2.5 13,-0.2 2,-0.6 -0.933 53.7-152.1-124.3 139.3 6.8 38.3 -12.9 68 103 A L E -GH 62 79C 0 11,-3.0 11,-3.1 -2,-0.4 2,-0.6 -0.957 18.1-158.8-101.6 117.6 5.7 37.5 -9.4 69 104 A Y E -GH 61 78C 15 -8,-2.6 -8,-1.3 -2,-0.6 2,-0.4 -0.915 15.6-165.8 -94.9 118.2 5.5 40.8 -7.4 70 105 A M E -GH 60 77C 4 7,-3.1 7,-1.7 -2,-0.6 -10,-0.2 -0.899 19.0-126.4-119.9 132.1 5.7 40.1 -3.7 71 106 A G E + H 0 76C 0 -12,-1.8 -13,-2.3 -2,-0.4 -12,-0.5 -0.533 41.1 166.4 -74.1 140.1 5.0 42.2 -0.6 72 107 A T E > -GH 57 75C 6 3,-2.0 25,-1.9 -2,-0.2 3,-1.1 -0.913 52.8-104.1-152.9 158.1 7.8 42.4 1.8 73 108 A D T 3 S+ 0 0 56 -17,-0.5 23,-2.4 -2,-0.3 -1,-0.1 0.944 125.5 41.7 -53.4 -49.9 9.2 44.1 4.9 74 109 A N T 3 S- 0 0 136 21,-0.2 2,-0.5 -22,-0.2 -1,-0.2 0.286 125.9 -98.9 -87.0 11.5 11.7 45.9 2.6 75 110 A G E < S-H 72 0C 0 -3,-1.1 -3,-2.0 22,-0.1 2,-0.4 -0.917 74.3 -3.7 124.3-111.1 9.1 46.6 -0.2 76 111 A I E -H 71 0C 8 -2,-0.5 2,-0.5 -5,-0.2 -5,-0.2 -0.965 44.3-159.3-134.0 120.4 8.6 44.5 -3.3 77 112 A L E -H 70 0C 6 -7,-1.7 -7,-3.1 -2,-0.4 2,-0.6 -0.838 12.3-156.5 -87.8 130.8 10.5 41.6 -4.7 78 113 A V E -H 69 0C 2 -2,-0.5 9,-1.9 -9,-0.2 2,-0.5 -0.953 11.8-171.0-108.5 110.6 10.0 41.2 -8.4 79 114 A Y E -HI 68 86C 4 -11,-3.1 -11,-3.0 -2,-0.6 2,-1.0 -0.892 17.1-146.6-102.9 125.0 10.7 37.5 -9.4 80 115 A N E >> -HI 67 85C 13 5,-3.5 4,-2.4 -2,-0.5 5,-1.4 -0.773 14.5-172.2 -89.5 100.2 10.9 36.6 -13.1 81 116 A Y T 45S+ 0 0 1 -15,-1.2 -1,-0.2 -2,-1.0 -14,-0.1 0.759 83.2 48.8 -71.9 -22.7 9.5 33.1 -13.0 82 117 A R T 45S+ 0 0 27 -16,-0.8 -1,-0.2 1,-0.1 571,-0.2 0.937 121.0 34.8 -78.8 -46.7 10.3 32.4 -16.7 83 118 A A T 45S- 0 0 35 -17,-0.3 -2,-0.2 2,-0.2 -1,-0.1 0.748 101.0-134.8 -70.0 -24.2 13.9 33.7 -16.4 84 119 A D T <5 + 0 0 4 -4,-2.4 2,-0.3 1,-0.3 -3,-0.2 0.962 66.0 118.2 52.0 58.2 14.2 32.4 -12.8 85 120 A R E -J 106 0D 37 3,-2.1 3,-2.1 -2,-0.3 2,-0.2 -0.810 65.6 -59.8-138.8 98.7 -6.4 47.7 -11.8 104 139 A G T 3 S- 0 0 53 -2,-0.3 -1,-0.1 1,-0.3 964,-0.1 -0.484 118.1 -22.1 63.1-125.1 -5.8 47.8 -15.5 105 140 A D T 3 S+ 0 0 10 -2,-0.2 15,-2.1 -3,-0.1 2,-0.5 0.133 122.8 91.3-100.6 21.7 -2.1 48.7 -15.9 106 141 A T E < -JK 103 119D 38 -3,-2.1 -3,-2.1 13,-0.2 2,-0.6 -0.969 64.3-149.4-119.6 124.0 -2.0 50.4 -12.4 107 142 A L E -JK 102 118D 0 11,-2.9 11,-2.1 -2,-0.5 2,-0.3 -0.808 8.7-146.1 -95.5 116.9 -0.9 48.4 -9.3 108 143 A W E -JK 101 117D 4 -7,-3.1 -7,-1.8 -2,-0.6 2,-0.4 -0.619 15.1-161.5 -75.7 140.1 -2.5 49.4 -6.0 109 144 A L E -JK 100 116D 0 7,-2.6 7,-2.2 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