==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=22-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSCRIPTION 31-JAN-05 2BJ8 . COMPND 2 MOLECULE: NICKEL RESPONSIVE REGULATOR; . SOURCE 2 ORGANISM_SCIENTIFIC: PYROCOCCUS HORIKOSHII; . AUTHOR T.H.TAHIROV . 274 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13891.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 210 76.6 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 . 72 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 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.7 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 . 18 6.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 22 8.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 94 34.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 0.7 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 1 1 2 0 2 1 0 0 0 1 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 0 2 2 1 0 2 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 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 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 0 184 0, 0.0 148,-0.2 0, 0.0 3,-0.1 0.000 360.0 360.0 360.0 136.9 23.0 62.0 -18.2 2 2 A E + 0 0 159 1,-0.1 147,-2.6 147,-0.1 2,-0.4 0.873 360.0 38.0 -75.9 -38.1 20.7 62.8 -15.3 3 3 A L E -A 148 0A 92 145,-0.3 2,-0.5 146,-0.1 -1,-0.1 -0.921 64.3-156.1-119.9 141.0 17.7 63.8 -17.4 4 4 A I E -A 147 0A 59 143,-2.5 143,-2.5 -2,-0.4 2,-0.4 -0.971 14.6-154.6-114.6 123.9 16.3 62.3 -20.6 5 5 A R E +A 146 0A 174 -2,-0.5 2,-0.3 141,-0.2 141,-0.2 -0.824 25.6 150.8-100.5 135.2 14.2 64.6 -22.7 6 6 A F E -A 145 0A 26 139,-2.3 139,-2.7 -2,-0.4 2,-0.3 -0.968 34.1-117.0-154.7 165.0 11.5 63.2 -25.1 7 7 A S E -A 144 0A 37 -2,-0.3 2,-0.3 137,-0.3 137,-0.2 -0.732 20.3-173.1-112.4 161.6 8.2 64.3 -26.5 8 8 A I E -A 143 0A 0 135,-2.4 135,-2.1 -2,-0.3 2,-0.4 -0.985 18.1-133.5-148.3 150.9 4.7 62.9 -26.4 9 9 A S E +A 142 0A 28 -2,-0.3 133,-0.2 133,-0.2 163,-0.1 -0.931 26.5 175.8-112.1 133.7 1.4 63.8 -28.1 10 10 A I E -A 141 0A 0 131,-2.2 131,-2.5 -2,-0.4 5,-0.1 -0.996 39.0 -99.1-139.6 139.5 -1.8 64.1 -26.1 11 11 A P E > -A 140 0A 17 0, 0.0 4,-2.1 0, 0.0 129,-0.2 -0.322 37.5-125.8 -55.2 137.7 -5.4 65.1 -27.0 12 12 A S H > S+ 0 0 8 127,-2.9 4,-2.6 1,-0.2 5,-0.2 0.848 106.6 55.7 -56.1 -41.0 -5.8 68.8 -26.1 13 13 A K H > S+ 0 0 143 126,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.954 110.4 45.6 -58.5 -49.2 -8.9 68.3 -23.9 14 14 A L H > S+ 0 0 5 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.888 114.4 48.9 -61.0 -39.7 -7.0 65.7 -21.8 15 15 A L H X S+ 0 0 2 -4,-2.1 4,-2.6 2,-0.2 -1,-0.2 0.842 106.6 55.7 -70.5 -34.2 -4.0 68.0 -21.6 16 16 A E H X S+ 0 0 109 -4,-2.6 4,-2.3 2,-0.2 -2,-0.2 0.942 109.8 45.8 -62.4 -48.1 -6.0 71.1 -20.6 17 17 A K H X S+ 0 0 65 -4,-1.9 4,-2.3 1,-0.2 -2,-0.2 0.923 112.8 50.4 -60.9 -45.9 -7.5 69.3 -17.6 18 18 A F H X S+ 0 0 0 -4,-1.9 4,-2.6 1,-0.2 5,-0.2 0.912 110.7 49.5 -59.0 -45.4 -4.1 67.9 -16.6 19 19 A D H X S+ 0 0 26 -4,-2.6 4,-1.6 1,-0.2 -1,-0.2 0.896 109.4 51.8 -62.2 -42.1 -2.6 71.4 -16.8 20 20 A Q H X S+ 0 0 107 -4,-2.3 4,-1.7 2,-0.2 -2,-0.2 0.940 112.5 45.5 -60.3 -48.2 -5.4 72.9 -14.7 21 21 A I H X S+ 0 0 2 -4,-2.3 4,-2.2 1,-0.2 3,-0.2 0.953 113.1 46.5 -62.2 -53.8 -4.9 70.3 -12.0 22 22 A I H X>S+ 0 0 7 -4,-2.6 5,-2.3 1,-0.2 4,-1.0 0.774 109.3 57.0 -64.0 -23.7 -1.1 70.4 -11.7 23 23 A E H <5S+ 0 0 135 -4,-1.6 3,-0.2 -5,-0.2 -1,-0.2 0.920 107.8 47.1 -71.1 -41.8 -1.2 74.2 -11.7 24 24 A E H <5S+ 0 0 122 -4,-1.7 -2,-0.2 1,-0.2 -1,-0.2 0.942 108.3 55.0 -62.6 -49.0 -3.5 74.2 -8.6 25 25 A I H <5S- 0 0 99 -4,-2.2 -1,-0.2 -5,-0.1 -2,-0.2 0.774 118.8-112.4 -56.1 -28.8 -1.3 71.6 -6.8 26 26 A G T <5 + 0 0 56 -4,-1.0 -3,-0.2 1,-0.3 2,-0.1 0.642 58.2 158.4 104.3 15.2 1.6 74.0 -7.3 27 27 A Y < - 0 0 53 -5,-2.3 -1,-0.3 1,-0.1 3,-0.1 -0.480 36.1-146.1 -69.8 145.3 3.8 72.0 -9.7 28 28 A E S S- 0 0 168 1,-0.2 2,-0.3 -2,-0.1 -1,-0.1 0.785 73.6 -2.8 -83.7 -28.7 6.2 74.2 -11.6 29 29 A N S >> S- 0 0 78 -7,-0.1 4,-1.2 1,-0.1 3,-0.6 -0.976 72.1-100.8-156.6 167.9 6.1 72.2 -14.9 30 30 A R H 3> S+ 0 0 73 -2,-0.3 4,-2.6 1,-0.2 5,-0.3 0.813 113.2 62.8 -61.8 -34.5 4.6 69.1 -16.5 31 31 A S H 3> S+ 0 0 23 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.851 100.5 52.1 -62.0 -37.0 7.8 67.1 -16.1 32 32 A E H <> S+ 0 0 45 -3,-0.6 4,-2.1 2,-0.2 -1,-0.2 0.947 112.8 45.0 -64.4 -48.2 7.7 67.2 -12.3 33 33 A A H X S+ 0 0 1 -4,-1.2 4,-2.1 2,-0.2 -2,-0.2 0.922 115.5 45.3 -62.6 -46.8 4.1 65.9 -12.3 34 34 A I H X S+ 0 0 1 -4,-2.6 4,-2.5 1,-0.2 -1,-0.2 0.879 108.9 57.4 -68.0 -35.7 4.7 63.2 -14.8 35 35 A R H X S+ 0 0 73 -4,-2.3 4,-2.4 -5,-0.3 -1,-0.2 0.942 109.3 46.4 -57.1 -46.5 7.9 62.2 -13.0 36 36 A D H X S+ 0 0 21 -4,-2.1 4,-2.3 1,-0.2 -2,-0.2 0.894 110.4 51.7 -65.0 -38.2 5.8 61.7 -9.9 37 37 A L H X S+ 0 0 7 -4,-2.1 4,-1.7 1,-0.2 -1,-0.2 0.882 111.3 48.7 -65.2 -37.2 3.2 59.7 -11.7 38 38 A I H X S+ 0 0 0 -4,-2.5 4,-2.3 2,-0.2 -2,-0.2 0.914 110.0 50.4 -69.0 -43.2 5.9 57.4 -13.2 39 39 A R H X S+ 0 0 98 -4,-2.4 4,-2.3 1,-0.2 -2,-0.2 0.937 111.1 48.1 -61.2 -46.5 7.5 56.8 -9.8 40 40 A D H X S+ 0 0 56 -4,-2.3 4,-2.5 1,-0.2 -1,-0.2 0.895 110.5 53.1 -60.9 -39.5 4.2 55.9 -8.1 41 41 A F H X S+ 0 0 6 -4,-1.7 4,-1.7 -5,-0.2 -1,-0.2 0.911 108.3 48.9 -62.1 -45.0 3.5 53.6 -11.0 42 42 A I H < S+ 0 0 10 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.925 111.6 50.2 -61.7 -43.9 6.8 51.8 -10.7 43 43 A I H >X S+ 0 0 72 -4,-2.3 3,-1.5 1,-0.2 4,-1.0 0.932 111.1 47.4 -60.9 -46.4 6.3 51.4 -6.9 44 44 A R H 3< S+ 0 0 72 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.806 113.3 49.7 -65.7 -29.3 2.8 49.9 -7.3 45 45 A H T 3< S+ 0 0 57 -4,-1.7 -1,-0.3 -5,-0.2 -2,-0.2 0.188 105.8 57.5 -96.8 17.3 4.0 47.5 -10.0 46 46 A E T <4 S+ 0 0 107 -3,-1.5 -2,-0.2 2,-0.1 -1,-0.2 0.584 74.5 109.4-115.6 -22.6 7.0 46.3 -7.9 47 47 A W S < S- 0 0 174 -4,-1.0 2,-0.2 -3,-0.1 -3,-0.0 -0.317 70.7-124.5 -56.4 134.9 5.1 45.0 -4.9 48 48 A E - 0 0 129 1,-0.1 -1,-0.1 0, 0.0 -2,-0.1 -0.505 25.5-174.6 -84.2 154.0 5.2 41.2 -4.8 49 49 A V - 0 0 53 1,-0.2 3,-0.3 -2,-0.2 2,-0.3 0.630 26.5-142.8-119.6 -25.6 2.1 39.1 -4.7 50 50 A G - 0 0 28 1,-0.2 -1,-0.2 57,-0.1 58,-0.2 -0.715 29.0 -84.9 97.7-146.9 3.4 35.5 -4.4 51 51 A N S S+ 0 0 85 -2,-0.3 -1,-0.2 56,-0.2 3,-0.1 0.216 77.3 125.7-150.5 13.8 1.8 32.4 -6.0 52 52 A E S S- 0 0 138 -3,-0.3 55,-2.6 54,-0.2 2,-0.5 -0.001 73.4 -79.2 -66.3-179.5 -1.0 31.4 -3.6 53 53 A E E +B 106 0B 123 53,-0.2 2,-0.3 54,-0.1 53,-0.2 -0.752 57.6 176.9 -88.1 126.9 -4.5 31.0 -4.8 54 54 A V E -B 105 0B 19 51,-3.4 51,-2.5 -2,-0.5 2,-0.4 -0.904 24.6-149.5-130.8 159.7 -6.4 34.3 -5.1 55 55 A A E +BC 104 131B 2 76,-2.4 76,-1.5 -2,-0.3 49,-0.3 -0.992 33.8 158.0-125.3 132.0 -9.8 35.5 -6.2 56 56 A G E -BC 103 130B 0 47,-3.3 47,-2.5 -2,-0.4 2,-0.4 -0.823 34.4-126.3-146.3-174.5 -10.1 38.9 -7.8 57 57 A T E -BC 102 129B 0 72,-1.9 72,-2.1 -2,-0.3 2,-0.5 -0.994 10.0-155.6-139.2 143.2 -11.8 41.5 -9.9 58 58 A I E -BC 101 128B 0 43,-2.3 43,-2.9 -2,-0.4 2,-0.5 -0.979 13.5-162.3-121.9 115.4 -10.6 43.6 -12.8 59 59 A T E +BC 100 127B 0 68,-2.7 68,-1.7 -2,-0.5 2,-0.3 -0.850 16.0 170.7-100.3 131.2 -12.6 46.8 -13.3 60 60 A I E -BC 99 126B 0 39,-2.8 39,-3.0 -2,-0.5 2,-0.4 -0.982 19.7-159.8-141.4 153.2 -12.3 48.5 -16.7 61 61 A V E +BC 98 125B 1 64,-2.2 63,-1.8 -2,-0.3 64,-1.2 -0.990 24.7 149.4-131.3 139.5 -13.9 51.4 -18.6 62 62 A Y E -BC 97 123B 9 35,-2.1 35,-3.2 -2,-0.4 2,-0.7 -0.988 49.9-104.6-162.8 165.6 -13.8 52.0 -22.3 63 63 A N E > -B 96 0B 27 59,-0.7 3,-1.7 -2,-0.3 33,-0.2 -0.893 28.9-152.6 -95.4 114.1 -15.6 53.4 -25.4 64 64 A H T 3 S+ 0 0 71 31,-2.1 6,-0.3 -2,-0.7 -1,-0.1 0.630 93.0 58.3 -67.5 -10.1 -16.8 50.3 -27.1 65 65 A D T 3 S+ 0 0 97 30,-0.4 -1,-0.3 4,-0.1 2,-0.3 0.524 83.6 102.8 -94.6 -6.4 -16.7 52.1 -30.4 66 66 A E S X S- 0 0 65 -3,-1.7 3,-1.4 29,-0.2 4,-0.4 -0.569 94.7 -55.2 -80.7 138.4 -12.9 52.9 -30.2 67 67 A G T 3 S- 0 0 77 -2,-0.3 3,-0.1 1,-0.2 55,-0.1 0.111 98.7 -47.4 32.4-128.6 -10.5 50.8 -32.2 68 68 A D T 3> S+ 0 0 95 53,-0.1 4,-2.9 1,-0.1 5,-0.2 -0.053 90.7 128.1-124.8 31.3 -10.9 47.1 -31.6 69 69 A V H <> S+ 0 0 0 -3,-1.4 4,-3.4 1,-0.2 5,-0.2 0.896 73.0 54.4 -55.8 -42.9 -11.0 47.1 -27.8 70 70 A V H > S+ 0 0 59 -4,-0.4 4,-1.7 -6,-0.3 -1,-0.2 0.905 113.5 40.9 -59.5 -43.0 -14.2 45.1 -27.7 71 71 A K H > S+ 0 0 125 -3,-0.2 4,-2.7 2,-0.2 5,-0.2 0.916 116.5 49.0 -71.3 -44.4 -12.7 42.3 -29.9 72 72 A A H X S+ 0 0 21 -4,-2.9 4,-2.8 1,-0.2 5,-0.3 0.942 109.6 52.7 -60.7 -47.9 -9.4 42.3 -28.2 73 73 A L H X S+ 0 0 3 -4,-3.4 4,-2.3 -5,-0.2 -1,-0.2 0.922 113.3 43.3 -54.2 -48.2 -11.0 42.2 -24.8 74 74 A L H X S+ 0 0 87 -4,-1.7 4,-3.0 -5,-0.2 -1,-0.2 0.927 113.6 49.2 -64.6 -49.0 -13.1 39.1 -25.7 75 75 A D H X S+ 0 0 77 -4,-2.7 4,-0.6 1,-0.2 -1,-0.2 0.917 113.5 48.0 -58.2 -43.4 -10.3 37.3 -27.5 76 76 A L H >X S+ 0 0 15 -4,-2.8 3,-0.8 -5,-0.2 4,-0.6 0.921 113.9 46.3 -64.0 -44.2 -8.0 37.9 -24.5 77 77 A Q H >< S+ 0 0 16 -4,-2.3 3,-1.1 -5,-0.3 7,-0.2 0.886 107.6 56.2 -66.9 -39.6 -10.6 36.7 -22.0 78 78 A H H >< S+ 0 0 126 -4,-3.0 3,-0.5 1,-0.2 -1,-0.2 0.606 98.2 63.9 -70.0 -8.9 -11.5 33.6 -24.0 79 79 A E H << S+ 0 0 125 -3,-0.8 -1,-0.2 -4,-0.6 3,-0.2 0.741 105.1 46.1 -82.6 -24.6 -7.8 32.5 -23.9 80 80 A Y T XX + 0 0 27 -3,-1.1 4,-2.3 -4,-0.6 3,-0.9 -0.353 64.1 147.6-115.0 53.0 -8.1 32.2 -20.1 81 81 A L T <4 S+ 0 0 119 -3,-0.5 -1,-0.2 1,-0.2 -2,-0.1 0.813 71.6 59.3 -54.7 -33.2 -11.3 30.3 -19.7 82 82 A D T 34 S+ 0 0 130 -3,-0.2 -1,-0.2 1,-0.2 -2,-0.1 0.835 113.6 32.8 -67.7 -35.8 -9.8 28.6 -16.6 83 83 A E T <4 S+ 0 0 21 -3,-0.9 21,-2.0 -6,-0.1 2,-0.7 0.800 102.9 77.9 -93.1 -32.5 -9.2 31.8 -14.6 84 84 A I E < +D 103 0B 24 -4,-2.3 19,-0.2 -7,-0.2 3,-0.1 -0.721 51.1 176.7 -86.1 114.3 -12.1 34.1 -15.8 85 85 A I E - 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