==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=24-JUL-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER NUCLEOTIDE BINDING PROTEIN 03-DEC-09 3KXK . COMPND 2 MOLECULE: GTP-BINDING PROTEIN (HFLX); . SOURCE 2 ORGANISM_SCIENTIFIC: SULFOLOBUS SOLFATARICUS; . AUTHOR B.HUANG,X.LI,X.C.ZHANG,Z.RAO . 579 8 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 28237.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 430 74.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 85 14.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 20 3.5 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.3 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 . 1 0.2 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 . 49 8.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 46 7.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 216 37.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 9 1.6 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 3 3 1 2 2 2 0 2 0 1 2 0 2 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 0 3 4 4 3 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 . 3 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 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 0 2 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 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 0 149 0, 0.0 2,-0.3 0, 0.0 24,-0.1 0.000 360.0 360.0 360.0 125.5 -10.2 14.9 0.7 2 2 A K E -a 25 0A 81 22,-1.3 24,-3.1 56,-0.0 2,-0.2 -0.637 360.0-136.9 -91.5 143.8 -7.9 13.7 3.5 3 3 A T E -a 26 0A 35 -2,-0.3 56,-1.5 22,-0.2 55,-0.5 -0.649 22.3-171.9 -96.0 156.2 -4.7 11.7 2.9 4 4 A A E -ab 27 59A 0 22,-1.5 24,-1.4 -2,-0.2 25,-1.1 -0.999 25.2-137.1-151.9 143.5 -3.6 8.7 5.0 5 5 A A E -ab 29 60A 0 54,-1.8 56,-2.5 -2,-0.3 2,-0.6 -0.908 30.6-150.5-100.2 120.0 -0.8 6.3 5.5 6 6 A L E -ab 30 61A 0 23,-2.6 25,-3.5 -2,-0.6 2,-0.6 -0.815 15.1-170.0-104.1 120.0 -2.1 2.7 5.9 7 7 A F E +ab 31 62A 8 54,-2.5 56,-2.9 -2,-0.6 2,-0.3 -0.927 34.3 135.5-102.1 117.0 -0.4 0.0 8.0 8 8 A V - 0 0 1 23,-2.8 5,-0.1 -2,-0.6 56,-0.1 -0.992 52.7-104.5-161.4 149.2 -2.1 -3.3 7.3 9 9 A S > - 0 0 30 -2,-0.3 4,-0.8 54,-0.3 3,-0.3 -0.269 39.1-110.2 -70.4 164.9 -1.4 -7.0 6.6 10 10 A K H > S+ 0 0 160 1,-0.2 4,-0.6 2,-0.2 3,-0.2 0.847 115.5 54.4 -67.4 -35.8 -1.9 -8.4 3.1 11 11 A E H 4 S+ 0 0 158 1,-0.2 4,-0.2 2,-0.1 -1,-0.2 0.766 119.4 33.2 -71.9 -25.2 -5.0 -10.4 4.0 12 12 A F H > S+ 0 0 76 -3,-0.3 4,-2.8 2,-0.1 -1,-0.2 0.429 95.3 93.4-106.7 -2.7 -6.8 -7.4 5.4 13 13 A E H X S+ 0 0 33 -4,-0.8 4,-2.9 1,-0.2 5,-0.2 0.936 84.1 47.9 -58.1 -53.5 -5.3 -4.8 3.0 14 14 A E H X S+ 0 0 155 -4,-0.6 4,-1.7 1,-0.2 -1,-0.2 0.906 117.2 42.8 -57.1 -45.4 -8.0 -4.9 0.4 15 15 A E H > S+ 0 0 59 -4,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.881 112.9 54.0 -67.8 -38.8 -10.8 -4.6 3.0 16 16 A A H X S+ 0 0 0 -4,-2.8 4,-2.8 2,-0.2 5,-0.2 0.923 107.2 50.6 -61.3 -46.2 -8.8 -1.9 4.9 17 17 A I H X S+ 0 0 38 -4,-2.9 4,-2.8 1,-0.2 5,-0.2 0.923 110.9 48.4 -58.0 -47.6 -8.4 0.2 1.8 18 18 A A H X S+ 0 0 31 -4,-1.7 4,-1.8 -5,-0.2 -1,-0.2 0.900 113.8 46.6 -61.5 -42.8 -12.1 0.1 1.0 19 19 A L H X S+ 0 0 5 -4,-2.2 4,-0.8 2,-0.2 -2,-0.2 0.914 113.6 48.1 -66.0 -44.3 -13.0 1.0 4.6 20 20 A V H ><>S+ 0 0 0 -4,-2.8 3,-0.8 1,-0.2 5,-0.8 0.930 113.8 46.3 -62.1 -47.0 -10.5 3.8 4.8 21 21 A E H ><5S+ 0 0 107 -4,-2.8 3,-1.5 1,-0.3 -1,-0.2 0.820 106.9 59.4 -65.2 -31.3 -11.6 5.3 1.4 22 22 A G H 3<5S+ 0 0 17 -4,-1.8 -1,-0.3 1,-0.3 -2,-0.2 0.721 98.2 59.9 -68.2 -21.3 -15.2 4.9 2.6 23 23 A A T <<5S- 0 0 0 -3,-0.8 -1,-0.3 -4,-0.8 -2,-0.2 0.125 130.5 -97.3 -91.3 19.3 -14.2 7.2 5.5 24 24 A N T < 5S+ 0 0 39 -3,-1.5 -22,-1.3 1,-0.2 2,-0.4 0.897 81.5 135.7 67.1 43.6 -13.4 9.8 2.9 25 25 A Y E < -a 2 0A 9 -5,-0.8 2,-0.7 -24,-0.1 -1,-0.2 -0.952 49.2-144.8-122.5 142.8 -9.6 9.1 2.8 26 26 A K E -a 3 0A 124 -24,-3.1 -22,-1.5 -2,-0.4 2,-0.8 -0.921 22.0-137.4-104.1 110.4 -7.2 8.8 -0.1 27 27 A V E +a 4 0A 31 -2,-0.7 -22,-0.2 -24,-0.2 3,-0.1 -0.542 30.1 170.6 -70.3 106.5 -4.6 6.2 0.7 28 28 A T E + 0 0 79 -24,-1.4 2,-0.3 -2,-0.8 -1,-0.2 0.823 65.2 20.6 -87.3 -35.3 -1.3 7.7 -0.5 29 29 A S E -a 5 0A 25 -25,-1.1 -23,-2.6 2,-0.0 2,-0.4 -0.987 64.6-158.1-137.9 147.4 1.1 5.1 1.0 30 30 A I E +a 6 0A 68 -2,-0.3 2,-0.3 -25,-0.2 -23,-0.2 -0.987 12.1 173.2-130.1 132.4 0.7 1.5 2.2 31 31 A Y E -a 7 0A 65 -25,-3.5 -23,-2.8 -2,-0.4 2,-0.2 -0.908 28.2-118.9-128.6 159.1 2.9 -0.5 4.7 32 32 A K - 0 0 152 -2,-0.3 -23,-0.2 -25,-0.2 3,-0.1 -0.626 45.4 -82.3 -93.9 159.1 2.5 -3.9 6.2 33 33 A L - 0 0 35 -2,-0.2 -1,-0.1 1,-0.1 -23,-0.1 -0.316 56.3 -96.9 -60.2 138.6 2.2 -4.5 10.0 34 34 A P - 0 0 28 0, 0.0 -1,-0.1 0, 0.0 -27,-0.0 -0.297 23.2-130.1 -57.8 135.4 5.6 -4.6 11.8 35 35 A K S S+ 0 0 199 1,-0.3 -2,-0.1 -3,-0.1 0, 0.0 0.947 103.3 17.8 -48.0 -55.2 7.0 -8.1 12.3 36 36 A S S S- 0 0 75 6,-0.0 -1,-0.3 0, 0.0 3,-0.1 -0.909 95.3-126.2-125.2 102.7 7.6 -7.2 16.0 37 37 A P - 0 0 68 0, 0.0 2,-0.4 0, 0.0 6,-0.2 -0.038 32.3-100.6 -46.9 143.0 5.6 -4.1 17.2 38 38 A N B > -D 42 0B 36 4,-3.3 4,-1.7 1,-0.1 5,-0.1 -0.543 20.0-139.8 -73.1 125.7 7.6 -1.4 18.8 39 39 A V T 4 S+ 0 0 114 -2,-0.4 -1,-0.1 2,-0.2 4,-0.0 0.836 100.3 32.8 -49.4 -36.2 7.4 -1.5 22.6 40 40 A K T 4 S+ 0 0 115 2,-0.1 33,-0.2 3,-0.1 34,-0.1 0.957 140.4 6.3 -90.1 -63.4 7.2 2.3 22.6 41 41 A F T 4 S- 0 0 24 2,-0.3 2,-2.8 32,-0.1 -2,-0.2 0.442 80.9-137.5-105.1 -2.7 5.4 3.6 19.5 42 42 A Y B < S+D 38 0B 22 -4,-1.7 -4,-3.3 -5,-0.1 2,-0.2 -0.327 89.0 69.2 71.4 -57.8 4.2 0.2 18.0 43 43 A I S S- 0 0 2 -2,-2.8 -2,-0.3 -6,-0.2 2,-0.1 -0.605 111.6 -83.4 -83.0 151.2 5.2 1.6 14.6 44 44 A Q > - 0 0 97 -2,-0.2 4,-2.2 1,-0.1 3,-0.4 -0.346 35.9-134.0 -58.7 127.1 8.9 2.1 13.9 45 45 A Y H > S+ 0 0 103 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.842 103.8 54.9 -52.8 -41.0 10.0 5.5 15.4 46 46 A D H > S+ 0 0 105 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.920 109.5 46.2 -60.2 -45.2 11.9 6.4 12.2 47 47 A K H > S+ 0 0 51 -3,-0.4 4,-2.1 1,-0.2 -1,-0.2 0.861 109.8 55.7 -65.9 -36.3 8.8 5.8 10.0 48 48 A L H X S+ 0 0 2 -4,-2.2 4,-2.1 1,-0.2 -2,-0.2 0.910 108.8 46.5 -61.5 -44.4 6.7 7.8 12.5 49 49 A Q H X S+ 0 0 35 -4,-2.3 4,-1.8 2,-0.2 -2,-0.2 0.879 109.3 55.3 -65.5 -39.0 9.0 10.8 12.2 50 50 A Q H < S+ 0 0 102 -4,-2.0 4,-0.3 1,-0.2 -2,-0.2 0.903 113.6 40.4 -60.4 -42.7 8.9 10.4 8.4 51 51 A I H >< S+ 0 0 3 -4,-2.1 3,-0.6 1,-0.2 -1,-0.2 0.811 110.0 61.1 -74.3 -31.3 5.1 10.6 8.4 52 52 A K H 3< S+ 0 0 54 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.847 111.2 38.4 -62.3 -35.7 5.2 13.3 11.0 53 53 A N T 3< S+ 0 0 116 -4,-1.8 2,-1.0 -5,-0.1 -1,-0.2 0.414 91.8 100.7 -98.4 -0.3 7.2 15.6 8.7 54 54 A D X - 0 0 52 -3,-0.6 3,-1.8 -4,-0.3 -1,-0.0 -0.764 50.0-171.6 -91.0 102.0 5.3 14.7 5.5 55 55 A E T 3 S+ 0 0 190 -2,-1.0 -1,-0.2 1,-0.3 -4,-0.0 0.702 82.5 69.7 -65.6 -19.7 2.8 17.5 4.9 56 56 A E T 3 S+ 0 0 153 1,-0.1 2,-0.4 -3,-0.1 -1,-0.3 0.375 93.2 68.9 -79.6 5.7 1.3 15.3 2.1 57 57 A I < + 0 0 6 -3,-1.8 -53,-0.1 -6,-0.2 -1,-0.1 -0.967 52.9 169.6-129.0 116.1 0.0 13.0 4.9 58 58 A S + 0 0 42 -55,-0.5 24,-0.8 -2,-0.4 2,-0.4 0.802 64.8 31.4 -95.1 -34.1 -2.7 14.2 7.2 59 59 A T E -bc 4 82A 8 -56,-1.5 -54,-1.8 22,-0.2 2,-0.5 -0.978 62.4-142.5-134.7 140.6 -3.7 11.1 9.1 60 60 A L E -bc 5 83A 2 22,-2.7 24,-3.0 -2,-0.4 2,-0.5 -0.880 20.3-169.1 -99.4 127.4 -2.0 7.9 10.3 61 61 A I E -bc 6 84A 0 -56,-2.5 -54,-2.5 -2,-0.5 2,-0.6 -0.944 8.0-174.9-124.9 113.9 -4.2 4.7 10.0 62 62 A I E -b 7 0A 0 22,-3.1 2,-2.3 -2,-0.5 24,-0.4 -0.922 20.6-145.0-106.6 116.9 -3.1 1.4 11.6 63 63 A F S S+ 0 0 13 -56,-2.9 -54,-0.3 -2,-0.6 2,-0.3 -0.396 73.7 70.7 -81.1 65.0 -5.4 -1.5 10.8 64 64 A E S S- 0 0 76 -2,-2.3 22,-1.3 -56,-0.1 2,-0.6 -0.959 92.9 -86.8-166.3 160.6 -5.0 -3.1 14.2 65 65 A Q - 0 0 97 -2,-0.3 2,-0.2 20,-0.2 -2,-0.1 -0.695 45.3-154.0 -81.2 118.3 -6.0 -2.5 17.9 66 66 A L - 0 0 4 -2,-0.6 19,-0.1 -4,-0.1 21,-0.0 -0.628 14.9-116.5 -91.5 149.3 -3.5 -0.3 19.6 67 67 A K >> - 0 0 113 -2,-0.2 4,-1.6 1,-0.1 3,-1.1 -0.523 29.7-112.2 -76.8 150.8 -2.8 -0.2 23.3 68 68 A P H 3> S+ 0 0 37 0, 0.0 4,-2.1 0, 0.0 5,-0.2 0.834 119.0 64.4 -52.0 -32.6 -3.5 3.1 25.1 69 69 A R H 3> S+ 0 0 96 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.905 102.2 46.8 -54.8 -46.1 0.3 3.3 25.5 70 70 A H H <> S+ 0 0 10 -3,-1.1 4,-3.0 2,-0.2 5,-0.3 0.929 108.5 53.0 -66.9 -47.9 0.7 3.6 21.8 71 71 A F H X S+ 0 0 0 -4,-1.6 4,-2.3 1,-0.2 -1,-0.2 0.913 111.8 48.1 -52.2 -45.7 -2.0 6.2 21.3 72 72 A I H X S+ 0 0 15 -4,-2.1 4,-1.8 2,-0.2 -2,-0.2 0.965 115.2 41.7 -61.2 -56.3 -0.3 8.4 23.9 73 73 A N H < S+ 0 0 35 -4,-2.2 4,-0.3 -33,-0.2 -2,-0.2 0.876 117.9 47.2 -61.0 -40.4 3.2 8.1 22.6 74 74 A I H >X S+ 0 0 1 -4,-3.0 4,-1.9 -5,-0.2 3,-0.8 0.872 110.8 51.4 -70.2 -38.1 2.2 8.5 19.0 75 75 A R H 3X S+ 0 0 76 -4,-2.3 4,-1.7 -5,-0.3 -2,-0.2 0.819 103.0 57.4 -71.6 -32.0 -0.1 11.5 19.7 76 76 A R H 3< S+ 0 0 155 -4,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.570 112.5 44.7 -74.8 -7.3 2.6 13.5 21.5 77 77 A E H <4 S+ 0 0 43 -3,-0.8 -2,-0.2 -4,-0.3 -1,-0.2 0.795 113.8 44.3-101.0 -41.1 4.7 13.2 18.4 78 78 A L H < 0 0 13 -4,-1.9 -2,-0.2 3,-0.1 -3,-0.1 0.930 360.0 360.0 -72.9 -48.0 2.2 14.0 15.7 79 79 A K < 0 0 184 -4,-1.7 3,-0.1 -5,-0.2 -3,-0.1 0.800 360.0 360.0 62.8 360.0 0.5 17.0 17.3 80 ! 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 81 81 A K 0 0 73 0, 0.0 2,-0.2 0, 0.0 -22,-0.2 0.000 360.0 360.0 360.0 139.7 -2.3 14.9 12.8 82 82 A E E -c 59 0A 119 -24,-0.8 -22,-2.7 -3,-0.1 2,-0.4 -0.533 360.0-151.9 -85.4 148.7 -4.8 12.2 13.8 83 83 A V E -c 60 0A 0 -2,-0.2 2,-0.4 -24,-0.2 -22,-0.2 -0.988 15.1-172.5-119.9 130.2 -3.9 8.6 14.6 84 84 A L E -c 61 0A 11 -24,-3.0 -22,-3.1 -2,-0.4 2,-0.2 -0.978 8.4-169.7-127.6 130.9 -6.5 5.9 14.0 85 85 A D > - 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