==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-JAN-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER METAL BINDING PROTEIN 20-JAN-10 3LGH . COMPND 2 MOLECULE: NICKEL-RESPONSIVE REGULATOR; . SOURCE 2 ORGANISM_SCIENTIFIC: HELICOBACTER PYLORI; . AUTHOR E.POZHARSKI,F.ST JOHN . 427 5 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 22145.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 344 80.6 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 . 130 30.4 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 . 4 0.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 0.9 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-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 . 45 10.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 34 8.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 130 30.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 0.5 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 1 0 2 2 2 2 1 0 0 0 2 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 0 0 0 0 1 1 5 6 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 . 1 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 10 A I 0 0 138 0, 0.0 141,-0.8 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 138.3 -31.6 -43.5 5.9 2 11 A I - 0 0 55 139,-0.1 140,-2.3 1,-0.1 2,-0.3 0.800 360.0-143.7 54.1 141.1 -33.0 -40.0 6.8 3 12 A R E +A 141 0A 161 138,-0.2 2,-0.3 136,-0.0 138,-0.2 -0.957 17.1 177.6-134.2 142.5 -32.7 -36.5 5.2 4 13 A F E -A 140 0A 15 136,-2.2 136,-2.2 -2,-0.3 2,-0.3 -0.956 25.6-108.0-147.7 161.9 -32.4 -33.1 6.8 5 14 A S E -A 139 0A 47 -2,-0.3 2,-0.3 134,-0.2 134,-0.2 -0.699 23.4-169.6-101.8 147.4 -31.9 -29.5 5.8 6 15 A V E -A 138 0A 0 132,-2.6 132,-1.5 -2,-0.3 2,-0.6 -0.972 16.0-139.0-128.7 145.6 -29.0 -27.1 6.0 7 16 A S E +A 137 0A 26 -2,-0.3 2,-0.4 130,-0.2 130,-0.2 -0.921 29.2 167.4-107.5 115.1 -28.6 -23.3 5.5 8 17 A L E -A 136 0A 0 128,-1.7 128,-1.2 -2,-0.6 5,-0.0 -0.981 38.1-111.8-124.2 139.4 -25.5 -22.1 3.6 9 18 A Q >> - 0 0 42 -2,-0.4 4,-1.5 126,-0.2 3,-0.6 -0.218 39.2-109.0 -53.0 154.3 -24.6 -18.8 2.1 10 19 A Q H >> S+ 0 0 98 1,-0.2 4,-2.0 2,-0.2 3,-0.7 0.961 115.2 54.2 -54.2 -56.9 -24.4 -18.9 -1.7 11 20 A N H 3> S+ 0 0 55 1,-0.3 4,-1.1 2,-0.2 -1,-0.2 0.705 109.0 50.5 -55.1 -22.5 -20.6 -18.5 -2.0 12 21 A L H <> S+ 0 0 0 -3,-0.6 4,-2.0 2,-0.2 -1,-0.3 0.825 106.8 52.6 -86.4 -36.6 -20.1 -21.4 0.4 13 22 A L H S+ 0 0 22 -4,-2.0 5,-2.0 -3,-0.5 4,-1.2 0.931 110.5 40.8 -60.9 -43.8 -17.0 -32.0 -4.9 21 30 A I H ><5S+ 0 0 133 -4,-1.7 3,-0.9 -3,-0.4 -2,-0.2 0.982 111.1 54.5 -63.4 -58.0 -15.5 -32.0 -8.4 22 31 A K H 3<5S+ 0 0 92 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.705 122.9 30.0 -51.8 -25.7 -11.9 -31.4 -7.3 23 32 A N H 3<5S- 0 0 32 -4,-1.3 -1,-0.3 -5,-0.2 -2,-0.2 0.492 109.0-118.8-113.9 -13.3 -12.1 -34.5 -5.0 24 33 A G T <<5 + 0 0 49 -4,-1.2 2,-0.2 -3,-0.9 -3,-0.2 0.876 45.5 168.9 73.7 42.3 -14.6 -36.6 -7.0 25 34 A Y < - 0 0 24 -5,-2.0 -1,-0.2 -6,-0.2 3,-0.1 -0.579 31.6-144.2 -77.7 147.2 -17.5 -36.9 -4.5 26 35 A S S S+ 0 0 101 -2,-0.2 2,-0.2 1,-0.1 -1,-0.1 0.913 77.2 10.0 -77.3 -43.0 -20.7 -38.4 -5.9 27 36 A S S > S- 0 0 42 1,-0.1 4,-0.9 -7,-0.0 -1,-0.1 -0.763 70.5-113.0-131.3 171.1 -23.1 -36.2 -3.8 28 37 A R H >> S+ 0 0 85 -2,-0.2 4,-1.8 1,-0.2 3,-0.6 0.933 116.6 55.1 -65.6 -48.1 -23.2 -33.3 -1.4 29 38 A S H 3> S+ 0 0 23 1,-0.2 4,-2.7 2,-0.2 -1,-0.2 0.727 98.8 61.9 -61.0 -26.0 -24.2 -35.5 1.4 30 39 A E H 3> S+ 0 0 29 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.922 108.1 42.7 -68.8 -43.7 -21.1 -37.8 0.9 31 40 A L H - 0 0 38 59,-1.6 3,-1.4 -2,-0.3 33,-0.1 -0.817 19.8-156.5 -95.5 118.3 16.0 -40.6 6.0 64 74 A H T 3 S+ 0 0 80 -2,-0.6 6,-0.1 1,-0.3 -1,-0.1 0.644 88.0 72.1 -75.8 -10.2 17.6 -43.6 7.6 65 75 A H T 3 S+ 0 0 82 29,-0.1 2,-0.7 2,-0.1 -1,-0.3 0.649 71.3 103.2 -73.1 -15.4 21.1 -42.3 6.8 66 76 A Q S X S- 0 0 54 -3,-1.4 3,-1.0 56,-0.1 4,-0.5 -0.601 81.1-125.1 -71.2 112.5 20.6 -39.6 9.4 67 77 A R T 3 S+ 0 0 172 -2,-0.7 -2,-0.1 1,-0.2 -1,-0.1 -0.316 82.1 3.5 -66.8 139.8 22.7 -41.0 12.3 68 78 A E T 3> S+ 0 0 138 1,-0.1 4,-2.4 -2,-0.0 -1,-0.2 0.199 97.4 111.9 77.5 -14.6 21.1 -41.5 15.7 69 79 A L H <> S+ 0 0 3 -3,-1.0 4,-2.7 2,-0.2 5,-0.2 0.900 73.1 49.5 -62.4 -49.4 17.6 -40.5 14.4 70 80 A N H > S+ 0 0 75 -4,-0.5 4,-2.3 1,-0.2 -1,-0.2 0.927 115.7 44.8 -56.0 -45.5 15.8 -43.8 14.6 71 81 A Q H > S+ 0 0 106 2,-0.2 4,-2.9 1,-0.2 -2,-0.2 0.818 108.7 57.2 -66.5 -35.1 17.1 -44.2 18.2 72 82 A R H X S+ 0 0 130 -4,-2.4 4,-2.9 2,-0.2 -2,-0.2 0.933 108.8 47.1 -56.3 -46.5 16.2 -40.5 19.0 73 83 A M H X S+ 0 0 10 -4,-2.7 4,-2.2 2,-0.2 -2,-0.2 0.911 112.0 50.0 -63.1 -44.6 12.6 -41.5 17.9 74 84 A I H X S+ 0 0 65 -4,-2.3 4,-2.4 2,-0.2 -2,-0.2 0.943 115.0 43.1 -54.1 -52.6 12.7 -44.6 20.1 75 85 A D H X S+ 0 0 89 -4,-2.9 4,-2.2 2,-0.2 -2,-0.2 0.910 112.5 52.4 -63.5 -47.4 14.0 -42.6 23.2 76 86 A I H < S+ 0 0 29 -4,-2.9 -1,-0.2 1,-0.2 -2,-0.2 0.889 112.9 45.2 -55.3 -44.3 11.5 -39.8 22.6 77 87 A Q H >X S+ 0 0 31 -4,-2.2 3,-1.6 1,-0.2 4,-0.6 0.898 110.2 53.9 -68.4 -43.2 8.6 -42.2 22.5 78 88 A H H 3< S+ 0 0 136 -4,-2.4 3,-0.4 1,-0.3 -2,-0.2 0.868 109.9 47.6 -60.2 -36.1 9.8 -44.2 25.5 79 89 A A T 3< S+ 0 0 91 -4,-2.2 -1,-0.3 1,-0.2 -2,-0.2 0.276 98.6 76.4 -85.4 10.8 9.9 -41.0 27.6 80 90 A S T <4 S- 0 0 26 -3,-1.6 -1,-0.2 2,-0.2 -2,-0.2 0.784 92.0-128.6 -96.6 -32.5 6.4 -39.9 26.4 81 91 A G < + 0 0 41 -4,-0.6 2,-0.2 1,-0.4 -3,-0.1 0.269 69.7 122.6 95.4 -9.0 4.1 -42.2 28.4 82 92 A T - 0 0 6 -5,-0.4 2,-0.5 27,-0.1 -1,-0.4 -0.510 59.1-132.2 -77.0 151.5 2.3 -43.2 25.2 83 93 A H E -D 104 0B 115 21,-3.1 21,-2.9 -2,-0.2 2,-0.5 -0.948 8.8-142.7-108.9 126.2 2.1 -47.0 24.4 84 94 A V E -D 103 0B 56 -2,-0.5 19,-0.2 19,-0.2 3,-0.1 -0.758 16.2-177.2 -82.7 129.6 3.0 -48.2 20.9 85 95 A L E - 0 0 73 17,-2.8 2,-0.3 -2,-0.5 -1,-0.1 0.741 65.7 -21.8 -95.4 -29.3 0.7 -51.0 19.8 86 96 A C E -D 102 0B 40 16,-0.9 16,-2.8 224,-0.0 -1,-0.4 -0.927 53.7-155.2-174.9 149.4 2.3 -51.7 16.5 87 97 A T E -D 101 0B 70 -2,-0.3 2,-0.4 14,-0.2 14,-0.2 -0.988 4.1-160.2-138.0 135.4 4.5 -50.1 13.8 88 98 A T E -D 100 0B 26 12,-2.4 12,-2.2 -2,-0.3 2,-0.5 -0.921 11.8-159.4-109.2 141.3 4.7 -50.9 10.1 89 99 A H E -D 99 0B 57 -2,-0.4 2,-0.5 10,-0.2 10,-0.2 -0.965 6.1-165.1-124.0 128.0 7.8 -49.7 8.2 90 100 A I E -D 98 0B 29 8,-3.2 8,-2.6 -2,-0.5 2,-1.1 -0.969 16.1-145.2-112.5 123.6 8.1 -49.2 4.4 91 101 A H E +D 97 0B 150 -2,-0.5 6,-0.2 6,-0.2 3,-0.1 -0.732 24.9 178.8 -79.7 98.7 11.6 -48.9 2.9 92 102 A M E - 0 0 56 4,-1.4 2,-0.2 -2,-1.1 -1,-0.2 0.957 55.9 -45.0 -74.1 -52.3 10.5 -46.4 0.2 93 103 A D E > S-D 96 0B 89 3,-1.4 3,-0.8 -3,-0.2 -1,-0.2 -0.840 80.5 -57.8-155.7-162.8 13.9 -46.0 -1.4 94 104 A E T 3 S+ 0 0 131 -2,-0.2 -30,-0.1 1,-0.2 -29,-0.1 0.784 132.9 25.0 -57.3 -31.6 17.6 -45.4 -0.4 95 105 A H T 3 S+ 0 0 76 -32,-0.1 2,-0.4 -31,-0.1 -1,-0.2 0.143 111.4 71.6-129.1 13.1 16.8 -42.2 1.6 96 106 A N E < + D 0 93B 29 -3,-0.8 -3,-1.4 -33,-0.1 -4,-1.4 -0.993 45.8 177.2-134.1 132.3 13.2 -42.5 2.6 97 107 A C E -BD 62 91B 3 -35,-2.8 -35,-2.2 -2,-0.4 2,-0.5 -0.994 14.1-154.2-123.2 140.2 11.4 -44.6 5.1 98 108 A L E -BD 61 90B 3 -8,-2.6 -8,-3.2 -2,-0.4 2,-0.4 -0.953 12.6-172.1-110.7 130.7 7.7 -44.4 6.0 99 109 A E E -BD 60 89B 22 -39,-3.1 -39,-3.0 -2,-0.5 2,-0.5 -0.966 15.6-163.0-119.9 137.5 6.4 -45.5 9.4 100 110 A T E -BD 59 88B 0 -12,-2.2 -12,-2.4 -2,-0.4 2,-0.6 -0.994 17.2-171.0-112.1 120.7 2.9 -45.9 10.6 101 111 A I E -BD 58 87B 19 -43,-2.8 -43,-2.8 -2,-0.5 2,-0.6 -0.949 13.6-148.4-117.4 111.4 3.0 -46.0 14.4 102 112 A I E -BD 57 86B 1 -16,-2.8 -17,-2.8 -2,-0.6 -16,-0.9 -0.726 24.9-169.3 -83.1 121.8 -0.2 -47.0 16.2 103 113 A L E -BD 56 84B 0 -47,-2.9 -47,-2.1 -2,-0.6 2,-0.4 -0.896 17.0-165.8-118.7 142.2 -0.2 -45.1 19.5 104 114 A Q E +BD 55 83B 52 -21,-2.9 -21,-3.1 -2,-0.4 2,-0.3 -0.979 43.5 78.5-123.8 139.3 -2.4 -45.3 22.7 105 115 A G E S-B 54 0B 0 -51,-1.8 -51,-1.3 -2,-0.4 2,-0.2 -0.984 78.9 -34.6 160.5-163.8 -2.4 -42.7 25.5 106 116 A N > - 0 0 16 -2,-0.3 4,-2.4 -53,-0.2 5,-0.2 -0.581 54.6-113.8 -90.8 157.0 -3.9 -39.3 26.3 107 117 A S H > S+ 0 0 20 1,-0.2 4,-2.2 -2,-0.2 5,-0.2 0.807 111.8 52.6 -60.9 -35.0 -4.4 -36.6 23.7 108 118 A F H > S+ 0 0 121 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.939 112.6 42.3 -66.1 -50.3 -1.8 -34.2 25.2 109 119 A E H > S+ 0 0 57 2,-0.2 4,-2.4 1,-0.2 -2,-0.2 0.915 114.9 51.3 -63.5 -43.7 1.1 -36.7 25.3 110 120 A I H X S+ 0 0 0 -4,-2.4 4,-1.4 2,-0.2 -2,-0.2 0.934 113.9 43.8 -59.1 -47.2 0.2 -38.1 21.9 111 121 A Q H X S+ 0 0 70 -4,-2.2 4,-1.7 -5,-0.2 -2,-0.2 0.901 111.2 52.9 -66.9 -40.7 0.1 -34.6 20.3 112 122 A R H X S+ 0 0 159 -4,-2.6 4,-2.2 1,-0.2 -1,-0.2 0.910 106.7 55.0 -60.9 -39.6 3.3 -33.5 22.1 113 123 A L H X S+ 0 0 8 -4,-2.4 4,-2.6 1,-0.2 -1,-0.2 0.859 105.3 52.6 -59.4 -38.4 5.0 -36.6 20.7 114 124 A Q H X S+ 0 0 48 -4,-1.4 4,-1.9 1,-0.2 -1,-0.2 0.856 111.1 46.0 -64.2 -42.1 4.0 -35.6 17.1 115 125 A L H X S+ 0 0 107 -4,-1.7 4,-1.4 2,-0.2 -2,-0.2 0.840 113.3 49.9 -69.6 -37.1 5.5 -32.1 17.5 116 126 A E H < S+ 0 0 106 -4,-2.2 4,-0.5 2,-0.2 3,-0.4 0.975 114.1 42.9 -68.0 -54.6 8.7 -33.6 19.0 117 127 A I H >< S+ 0 0 5 -4,-2.6 3,-1.2 1,-0.2 -2,-0.2 0.868 113.0 53.7 -56.8 -42.0 9.2 -36.2 16.3 118 128 A G H 3< S+ 0 0 36 -4,-1.9 -1,-0.2 1,-0.3 -2,-0.2 0.816 102.5 58.2 -65.2 -32.9 8.3 -33.6 13.5 119 129 A G T 3< S+ 0 0 68 -4,-1.4 -1,-0.3 -3,-0.4 -2,-0.2 0.599 84.9 109.8 -71.1 -12.6 10.9 -31.2 14.9 120 130 A L S X S- 0 0 24 -3,-1.2 3,-1.8 -4,-0.5 2,-0.1 -0.421 76.4-110.6 -74.6 138.9 13.8 -33.7 14.4 121 131 A R T 3 S+ 0 0 201 1,-0.3 3,-0.1 -2,-0.2 -1,-0.1 -0.406 105.7 28.2 -65.7 135.3 16.4 -33.3 11.7 122 132 A G T 3 S+ 0 0 21 1,-0.3 -59,-1.6 -2,-0.1 2,-0.7 0.242 90.9 116.8 91.7 -14.0 16.1 -35.9 9.0 123 133 A V E < +C 62 0B 20 -3,-1.8 -1,-0.3 -61,-0.2 -61,-0.2 -0.833 36.7 174.2 -85.8 115.7 12.4 -36.1 9.6 124 134 A K E + 0 0 115 -63,-1.8 2,-0.3 -2,-0.7 -62,-0.2 0.718 65.7 15.4 -92.5 -28.5 10.7 -34.9 6.4 125 135 A F E +C 61 0B 53 -64,-1.8 -64,-3.1 226,-0.0 2,-0.3 -0.969 56.1 168.6-152.7 127.2 7.1 -35.6 7.3 126 136 A A E +C 60 0B 24 -2,-0.3 2,-0.4 -66,-0.2 -66,-0.2 -0.934 14.0 166.8-140.6 123.5 5.2 -36.4 10.5 127 137 A K E -C 59 0B 96 -68,-2.7 -68,-2.8 -2,-0.3 2,-0.4 -0.992 23.6-140.4-144.4 135.0 1.4 -36.4 10.7 128 138 A L E -C 58 0B 13 -2,-0.4 2,-0.6 -70,-0.2 -70,-0.2 -0.740 4.3-163.7 -93.7 133.2 -1.2 -37.6 13.2 129 139 A T E -C 57 0B 5 -72,-2.5 -72,-2.1 -2,-0.4 2,-0.1 -0.936 22.5-147.5-112.5 106.9 -4.5 -39.2 12.4 130 140 A K E -C 56 0B 63 -2,-0.6 2,-0.4 -74,-0.2 -74,-0.2 -0.386 14.7-151.7 -73.4 145.6 -6.6 -39.1 15.5 131 141 A A E C 55 0B 3 -76,-2.2 -76,-0.7 1,-0.1 -1,-0.0 -0.937 360.0 360.0-124.5 152.1 -9.1 -41.8 16.3 132 142 A S 0 0 72 -2,-0.4 -1,-0.1 -78,-0.1 -76,-0.0 0.055 360.0 360.0-156.7 360.0 -12.3 -42.5 18.0 133 !* 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 0.0 134 9 B S 0 0 157 0, 0.0 -125,-0.1 0, 0.0 -126,-0.1 0.000 360.0 360.0 360.0 169.0 -28.4 -14.5 2.5 135 10 B I - 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