==== 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 2BJ7 . 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) . 14029.0 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 . 21 7.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 95 34.7 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+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 2 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,-0.0 0.000 360.0 360.0 360.0 137.0 23.1 61.9 -18.2 2 2 A E + 0 0 159 1,-0.1 147,-3.1 147,-0.1 2,-0.4 0.890 360.0 39.6 -75.7 -41.7 20.7 62.7 -15.4 3 3 A L E -A 148 0A 94 145,-0.3 2,-0.5 146,-0.1 -1,-0.1 -0.889 63.0-157.7-115.4 142.5 17.7 63.8 -17.5 4 4 A I E -A 147 0A 57 143,-2.4 143,-2.4 -2,-0.4 2,-0.4 -0.982 13.1-154.9-118.3 122.2 16.2 62.3 -20.6 5 5 A R E +A 146 0A 176 -2,-0.5 2,-0.3 141,-0.2 141,-0.2 -0.817 25.4 152.7 -98.9 133.2 14.1 64.6 -22.7 6 6 A F E -A 145 0A 23 139,-2.2 139,-2.5 -2,-0.4 2,-0.3 -0.962 33.9-113.3-152.8 167.4 11.4 63.2 -25.1 7 7 A S E -A 144 0A 43 -2,-0.3 2,-0.3 137,-0.2 137,-0.2 -0.711 21.1-175.8-109.3 159.9 8.1 64.0 -26.7 8 8 A I E -A 143 0A 0 135,-2.1 135,-2.2 -2,-0.3 2,-0.4 -0.986 17.7-138.1-149.8 147.2 4.6 62.7 -26.4 9 9 A S E +A 142 0A 29 -2,-0.3 133,-0.2 133,-0.2 163,-0.1 -0.926 25.8 174.1-111.4 136.4 1.3 63.5 -28.2 10 10 A I E -A 141 0A 0 131,-1.8 131,-2.7 -2,-0.4 5,-0.1 -0.999 40.3 -96.7-143.0 140.6 -2.0 63.8 -26.2 11 11 A P E > -A 140 0A 15 0, 0.0 4,-2.0 0, 0.0 3,-0.3 -0.332 38.3-125.4 -56.0 137.4 -5.5 64.8 -27.1 12 12 A S H > S+ 0 0 9 127,-3.1 4,-2.6 1,-0.2 5,-0.2 0.854 106.6 57.1 -53.9 -43.2 -5.9 68.5 -26.3 13 13 A K H > S+ 0 0 132 126,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.930 109.5 46.3 -56.1 -46.1 -9.0 68.0 -24.0 14 14 A L H > S+ 0 0 3 -3,-0.3 4,-2.1 1,-0.2 -1,-0.2 0.902 113.1 48.6 -63.6 -42.9 -7.0 65.6 -21.9 15 15 A L H X S+ 0 0 2 -4,-2.0 4,-2.6 2,-0.2 -1,-0.2 0.849 106.7 57.3 -67.6 -33.8 -4.0 67.9 -21.7 16 16 A E H X S+ 0 0 108 -4,-2.6 4,-2.3 2,-0.2 -2,-0.2 0.956 109.6 43.8 -60.5 -51.5 -6.2 70.9 -20.7 17 17 A K H X S+ 0 0 62 -4,-1.8 4,-2.3 1,-0.2 -2,-0.2 0.908 113.1 51.9 -60.4 -44.9 -7.6 69.1 -17.7 18 18 A F H X S+ 0 0 0 -4,-2.1 4,-2.4 1,-0.2 5,-0.2 0.915 110.1 49.3 -60.0 -44.4 -4.2 67.8 -16.7 19 19 A D H X S+ 0 0 27 -4,-2.6 4,-1.8 2,-0.2 -1,-0.2 0.912 108.8 52.1 -62.7 -43.9 -2.7 71.3 -16.9 20 20 A Q H X S+ 0 0 105 -4,-2.3 4,-1.9 1,-0.2 -2,-0.2 0.958 112.1 46.5 -56.3 -52.3 -5.4 72.8 -14.8 21 21 A I H X S+ 0 0 2 -4,-2.3 4,-2.2 1,-0.2 5,-0.2 0.935 112.1 46.9 -57.4 -54.0 -5.0 70.3 -12.0 22 22 A I H X>S+ 0 0 7 -4,-2.4 5,-2.6 1,-0.2 4,-0.9 0.788 108.8 56.9 -63.9 -25.7 -1.2 70.4 -11.8 23 23 A E H ><5S+ 0 0 133 -4,-1.8 3,-0.6 -5,-0.2 -1,-0.2 0.949 107.5 47.8 -68.1 -46.4 -1.3 74.2 -11.8 24 24 A E H 3<5S+ 0 0 119 -4,-1.9 -2,-0.2 1,-0.3 -1,-0.2 0.940 107.4 55.3 -57.0 -51.2 -3.6 74.2 -8.7 25 25 A I H 3<5S- 0 0 98 -4,-2.2 -1,-0.3 -5,-0.1 -2,-0.2 0.761 120.0-111.0 -54.7 -26.9 -1.4 71.7 -6.9 26 26 A G T <<5 + 0 0 55 -4,-0.9 -3,-0.2 -3,-0.6 2,-0.1 0.667 58.4 161.1 102.2 18.5 1.5 74.0 -7.4 27 27 A Y < - 0 0 55 -5,-2.6 -1,-0.2 1,-0.1 3,-0.1 -0.487 34.4-147.9 -70.9 143.8 3.6 72.1 -9.8 28 28 A E S S- 0 0 169 1,-0.2 2,-0.3 -2,-0.1 -1,-0.1 0.793 73.5 -5.2 -83.5 -28.6 6.1 74.2 -11.7 29 29 A N S >> S- 0 0 77 -7,-0.1 4,-1.3 1,-0.1 3,-0.8 -0.984 71.0-100.8-159.1 165.7 5.9 72.1 -14.9 30 30 A R H 3> S+ 0 0 73 -2,-0.3 4,-2.7 1,-0.2 5,-0.3 0.815 114.1 63.2 -59.9 -34.1 4.5 69.0 -16.6 31 31 A S H 3> S+ 0 0 23 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.834 100.6 52.0 -63.3 -33.2 7.8 67.1 -16.2 32 32 A E H <> S+ 0 0 46 -3,-0.8 4,-1.9 2,-0.2 -1,-0.2 0.952 112.8 44.4 -67.3 -48.9 7.5 67.3 -12.4 33 33 A A H X S+ 0 0 1 -4,-1.3 4,-2.4 2,-0.2 -2,-0.2 0.944 115.6 45.7 -60.9 -51.0 4.0 65.9 -12.3 34 34 A I H X S+ 0 0 0 -4,-2.7 4,-2.7 1,-0.2 -1,-0.2 0.882 108.8 57.5 -63.0 -36.2 4.6 63.1 -14.8 35 35 A R H X S+ 0 0 69 -4,-1.9 4,-2.2 -5,-0.3 -1,-0.2 0.922 109.1 46.0 -58.3 -43.5 7.8 62.2 -13.0 36 36 A D H X S+ 0 0 24 -4,-1.9 4,-2.4 2,-0.2 5,-0.2 0.906 110.5 52.1 -67.7 -39.8 5.8 61.7 -9.9 37 37 A L H X S+ 0 0 9 -4,-2.4 4,-2.0 1,-0.2 -2,-0.2 0.893 111.0 48.8 -62.8 -39.1 3.1 59.7 -11.7 38 38 A I H X S+ 0 0 0 -4,-2.7 4,-2.4 2,-0.2 -1,-0.2 0.907 110.3 49.8 -68.2 -41.9 5.8 57.4 -13.1 39 39 A R H X S+ 0 0 95 -4,-2.2 4,-2.4 2,-0.2 -2,-0.2 0.932 112.3 47.3 -62.8 -45.2 7.5 56.9 -9.7 40 40 A D H X S+ 0 0 56 -4,-2.4 4,-2.7 1,-0.2 5,-0.2 0.904 110.6 53.5 -61.7 -41.7 4.2 56.0 -8.1 41 41 A F H X S+ 0 0 8 -4,-2.0 4,-1.8 -5,-0.2 -1,-0.2 0.929 109.0 47.8 -58.9 -48.5 3.4 53.7 -10.9 42 42 A I H < S+ 0 0 10 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.932 111.6 50.9 -59.1 -46.5 6.7 51.8 -10.6 43 43 A I H >X S+ 0 0 75 -4,-2.4 3,-1.3 1,-0.2 4,-0.9 0.927 111.1 47.1 -58.2 -47.1 6.2 51.5 -6.8 44 44 A R H 3< S+ 0 0 74 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.801 113.7 49.4 -66.3 -28.7 2.7 50.1 -7.2 45 45 A H T 3< S+ 0 0 59 -4,-1.8 -1,-0.3 -5,-0.2 -2,-0.2 0.277 104.6 59.0 -95.0 11.6 3.9 47.6 -9.8 46 46 A E T <4 S+ 0 0 105 -3,-1.3 -2,-0.2 -4,-0.2 -1,-0.2 0.635 73.1 109.5-109.9 -21.6 6.9 46.4 -7.8 47 47 A W S < S- 0 0 171 -4,-0.9 2,-0.2 -3,-0.1 -3,-0.0 -0.293 70.4-124.2 -55.5 136.7 5.0 45.0 -4.8 48 48 A E - 0 0 129 1,-0.1 -1,-0.1 0, 0.0 -2,-0.1 -0.566 25.2-174.5 -86.4 151.3 5.2 41.2 -4.8 49 49 A V - 0 0 42 1,-0.3 3,-0.4 -2,-0.2 2,-0.4 0.586 27.0-143.9-117.7 -20.0 2.1 39.1 -4.6 50 50 A G - 0 0 32 1,-0.2 -1,-0.3 57,-0.1 56,-0.0 -0.726 28.8 -86.6 93.5-140.1 3.4 35.5 -4.3 51 51 A N S S+ 0 0 81 -2,-0.4 -1,-0.2 56,-0.2 3,-0.1 0.197 75.0 128.0-159.4 15.4 1.7 32.6 -6.0 52 52 A E S S- 0 0 112 -3,-0.4 55,-2.4 54,-0.2 2,-0.5 0.091 72.5 -76.1 -64.7-172.5 -0.9 31.4 -3.6 53 53 A E E +B 106 0B 121 53,-0.2 2,-0.3 54,-0.1 53,-0.2 -0.780 60.7 173.0 -92.3 131.7 -4.5 30.9 -4.7 54 54 A V E -B 105 0B 10 51,-3.1 51,-2.7 -2,-0.5 2,-0.4 -0.932 27.0-149.0-138.3 162.5 -6.5 34.1 -5.0 55 55 A A E +BC 104 131B 2 76,-2.5 76,-2.3 -2,-0.3 2,-0.3 -0.973 33.8 151.8-126.9 140.9 -9.8 35.4 -6.2 56 56 A G E -BC 103 130B 0 47,-3.0 47,-3.0 -2,-0.4 2,-0.4 -0.926 35.3-119.6-158.1-176.8 -10.2 38.9 -7.7 57 57 A T E -BC 102 129B 0 72,-2.1 72,-2.3 -2,-0.3 2,-0.5 -0.984 8.9-155.9-136.6 146.1 -11.8 41.5 -9.9 58 58 A I E -BC 101 128B 0 43,-2.0 43,-2.8 -2,-0.4 2,-0.4 -0.980 14.7-162.7-123.5 114.0 -10.6 43.5 -12.7 59 59 A T E +BC 100 127B 0 68,-2.6 68,-1.6 -2,-0.5 2,-0.3 -0.842 15.6 171.7 -99.8 132.7 -12.6 46.7 -13.3 60 60 A I E -BC 99 126B 0 39,-2.9 39,-3.1 -2,-0.4 2,-0.4 -0.994 19.7-161.2-142.8 150.9 -12.2 48.5 -16.6 61 61 A V E +BC 98 125B 0 64,-2.1 63,-1.9 -2,-0.3 64,-1.2 -0.990 24.8 150.4-130.3 138.1 -13.8 51.4 -18.5 62 62 A Y E -BC 97 123B 8 35,-2.1 35,-3.0 -2,-0.4 2,-0.8 -0.986 50.2-103.7-160.7 165.0 -13.6 52.0 -22.2 63 63 A N E > -B 96 0B 31 59,-0.7 3,-2.0 -2,-0.3 33,-0.2 -0.879 29.6-153.7 -94.0 112.6 -15.3 53.4 -25.3 64 64 A H T 3 S+ 0 0 65 31,-2.1 6,-0.3 -2,-0.8 -1,-0.1 0.654 92.1 58.8 -65.8 -13.5 -16.6 50.3 -27.1 65 65 A D T 3 S+ 0 0 97 30,-0.4 2,-0.4 4,-0.1 -1,-0.3 0.408 83.9 104.8 -93.8 2.9 -16.4 52.1 -30.4 66 66 A E S X S- 0 0 71 -3,-2.0 3,-1.6 29,-0.2 4,-0.4 -0.697 93.3 -56.1 -89.3 133.6 -12.7 52.8 -30.1 67 67 A G T 3 S- 0 0 77 -2,-0.4 3,-0.2 1,-0.2 55,-0.1 0.042 99.0 -47.0 36.8-134.2 -10.3 50.8 -32.2 68 68 A D T 3> S+ 0 0 97 1,-0.1 4,-3.0 53,-0.1 5,-0.2 -0.074 92.3 127.9-119.3 33.6 -10.6 47.1 -31.6 69 69 A V H <> S+ 0 0 0 -3,-1.6 4,-3.1 1,-0.2 5,-0.2 0.893 72.8 53.8 -57.0 -40.8 -10.8 47.1 -27.8 70 70 A V H > S+ 0 0 58 -4,-0.4 4,-1.9 -6,-0.3 -1,-0.2 0.926 113.6 40.6 -62.2 -44.4 -14.0 45.1 -27.8 71 71 A K H > S+ 0 0 124 2,-0.2 4,-2.7 1,-0.2 5,-0.2 0.920 116.1 50.5 -69.7 -43.4 -12.5 42.3 -29.9 72 72 A A H X S+ 0 0 19 -4,-3.0 4,-2.6 1,-0.2 5,-0.2 0.927 109.5 51.2 -60.2 -45.5 -9.2 42.4 -28.1 73 73 A L H X S+ 0 0 3 -4,-3.1 4,-2.2 -5,-0.2 -1,-0.2 0.931 113.2 44.8 -58.6 -47.2 -10.9 42.2 -24.7 74 74 A L H X S+ 0 0 92 -4,-1.9 4,-2.7 -5,-0.2 -2,-0.2 0.932 113.8 48.1 -63.0 -49.2 -13.0 39.1 -25.7 75 75 A D H X S+ 0 0 76 -4,-2.7 4,-0.7 1,-0.2 -2,-0.2 0.915 112.8 49.0 -59.5 -43.8 -10.1 37.3 -27.4 76 76 A L H >X S+ 0 0 15 -4,-2.6 3,-0.7 -5,-0.2 4,-0.5 0.914 113.6 46.4 -63.1 -42.6 -7.8 37.8 -24.5 77 77 A Q H >< S+ 0 0 16 -4,-2.2 3,-1.2 -5,-0.2 7,-0.2 0.883 106.8 56.9 -68.4 -39.2 -10.4 36.6 -22.0 78 78 A H H >< S+ 0 0 127 -4,-2.7 3,-0.6 1,-0.3 -1,-0.2 0.640 98.2 63.6 -68.4 -11.2 -11.3 33.6 -24.0 79 79 A E H << S+ 0 0 126 -3,-0.7 -1,-0.3 -4,-0.7 3,-0.2 0.727 105.3 45.8 -82.0 -22.4 -7.7 32.5 -23.8 80 80 A Y T XX + 0 0 23 -3,-1.2 4,-2.4 -4,-0.5 3,-0.7 -0.335 64.6 147.9-116.8 52.5 -8.0 32.2 -20.1 81 81 A L T <4 S+ 0 0 119 -3,-0.6 -1,-0.2 1,-0.2 -2,-0.1 0.757 72.3 57.7 -55.7 -27.3 -11.3 30.3 -19.7 82 82 A D T 34 S+ 0 0 126 -3,-0.2 -1,-0.2 1,-0.1 -2,-0.1 0.874 113.2 34.6 -74.0 -39.4 -9.9 28.6 -16.6 83 83 A E T <4 S+ 0 0 21 -3,-0.7 21,-2.0 -6,-0.1 2,-0.7 0.818 103.2 77.5 -87.1 -32.4 -9.1 31.8 -14.6 84 84 A I E < +D 103 0B 23 -4,-2.4 19,-0.2 -7,-0.2 3,-0.1 -0.705 51.3 176.6 -85.6 116.2 -12.0 34.0 -15.8 85 85 A I E - 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