==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=5-OCT-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 27-SEP-12 4HAO . COMPND 2 MOLECULE: PROBABLE INORGANIC POLYPHOSPHATE/ATP-NAD KINASE; . SOURCE 2 ORGANISM_SCIENTIFIC: YERSINIA PESTIS; . AUTHOR Y.KIM,N.MALTSEVA,R.JEDRZEJCZAK,W.F.ANDERSON,A.JOACHIMIAK,CEN . 567 5 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 28028.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 405 71.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 49 8.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 125 22.0 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 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 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 . 61 10.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 48 8.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 98 17.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 13 2.3 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 2 0 1 3 1 2 1 2 0 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 3 1 2 4 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 PARALLEL BRIDGES PER LADDER . 1 0 4 6 6 0 3 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 0 3 1 0 0 0 0 1 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 4 A R 0 0 246 0, 0.0 2,-0.5 0, 0.0 114,-0.1 0.000 360.0 360.0 360.0 156.6 20.1 -18.0 21.0 2 5 A F - 0 0 13 112,-0.3 3,-0.2 1,-0.1 59,-0.0 -0.957 360.0-176.7-118.5 120.4 22.9 -16.2 19.2 3 6 A D S S+ 0 0 110 -2,-0.5 30,-1.8 1,-0.2 2,-0.6 0.914 74.5 37.2 -81.5 -43.6 26.5 -17.7 19.2 4 7 A C E -a 33 0A 20 28,-0.2 58,-3.2 56,-0.1 59,-1.4 -0.921 67.2-170.2-120.1 111.1 28.4 -15.0 17.3 5 8 A I E -ab 34 63A 0 28,-2.2 30,-2.0 -2,-0.6 2,-0.4 -0.853 7.6-156.8-100.5 135.6 27.6 -11.3 17.8 6 9 A G E -ab 35 64A 0 57,-2.9 59,-2.9 -2,-0.4 2,-0.6 -0.864 7.4-144.3-110.8 140.9 29.1 -8.7 15.5 7 10 A I E +ab 36 65A 1 28,-2.6 30,-1.3 -2,-0.4 2,-0.3 -0.922 24.4 179.7-107.9 125.2 29.6 -5.0 16.2 8 11 A V E + b 0 66A 2 57,-2.2 59,-2.4 -2,-0.6 2,-0.2 -0.851 25.5 84.8-125.5 153.0 29.2 -2.7 13.3 9 12 A G - 0 0 2 -2,-0.3 31,-0.2 57,-0.2 59,-0.1 -0.694 61.7-109.4 138.6 166.9 29.4 1.0 12.9 10 13 A H 0 0 127 57,-0.3 7,-0.0 -2,-0.2 -2,-0.0 -0.863 360.0 360.0-135.0 98.3 31.9 3.7 12.3 11 14 A P 0 0 19 0, 0.0 6,-0.0 0, 0.0 57,-0.0 -0.726 360.0 360.0 -82.0 360.0 32.6 5.9 15.4 12 ! 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 13 16 A H > 0 0 134 0, 0.0 3,-1.2 0, 0.0 4,-0.2 0.000 360.0 360.0 360.0 150.5 33.4 11.3 16.3 14 17 A P T 3 + 0 0 105 0, 0.0 3,-0.4 0, 0.0 4,-0.2 0.470 360.0 65.4 -72.5 -8.6 35.4 9.8 19.3 15 18 A A T 3 S+ 0 0 81 1,-0.2 4,-0.4 2,-0.2 3,-0.3 0.522 89.3 67.9 -91.9 -5.5 32.8 9.6 22.1 16 19 A A S <> S+ 0 0 21 -3,-1.2 4,-1.3 1,-0.2 -1,-0.2 0.566 85.1 77.7 -79.4 -12.2 30.7 7.0 20.3 17 20 A L H > S+ 0 0 30 -3,-0.4 4,-3.1 1,-0.2 -1,-0.2 0.852 80.7 62.7 -67.8 -38.3 33.7 4.7 20.9 18 21 A A H > S+ 0 0 51 -3,-0.3 4,-4.0 -4,-0.2 5,-0.3 0.910 100.7 54.5 -52.6 -44.6 32.8 4.1 24.6 19 22 A T H > S+ 0 0 57 -4,-0.4 4,-2.5 1,-0.2 -1,-0.2 0.939 110.9 43.9 -56.3 -51.9 29.5 2.5 23.4 20 23 A H H X S+ 0 0 4 -4,-1.3 4,-1.8 2,-0.2 -1,-0.2 0.907 116.3 49.0 -55.5 -45.1 31.5 0.1 21.2 21 24 A E H X S+ 0 0 88 -4,-3.1 4,-1.7 2,-0.2 -2,-0.2 0.930 113.0 45.2 -63.9 -47.1 34.0 -0.5 24.0 22 25 A I H X S+ 0 0 97 -4,-4.0 4,-2.5 1,-0.2 -2,-0.2 0.924 114.5 48.5 -62.5 -45.1 31.3 -1.1 26.6 23 26 A L H X S+ 0 0 10 -4,-2.5 4,-2.9 -5,-0.3 5,-0.2 0.841 109.2 52.7 -64.7 -35.6 29.3 -3.4 24.4 24 27 A Y H X S+ 0 0 7 -4,-1.8 4,-1.5 -5,-0.2 -1,-0.2 0.887 113.8 41.6 -73.2 -39.8 32.3 -5.5 23.3 25 28 A H H X S+ 0 0 93 -4,-1.7 4,-3.2 2,-0.2 -2,-0.2 0.896 116.6 49.1 -72.6 -40.1 33.4 -6.2 26.9 26 29 A W H X S+ 0 0 29 -4,-2.5 4,-1.4 2,-0.2 -2,-0.2 0.948 113.2 45.9 -62.4 -52.1 29.8 -6.8 28.1 27 30 A L H <>S+ 0 0 0 -4,-2.9 5,-1.8 1,-0.2 -1,-0.2 0.890 116.0 49.0 -57.4 -40.0 29.1 -9.2 25.2 28 31 A K H ><5S+ 0 0 89 -4,-1.5 3,-2.3 -5,-0.2 -2,-0.2 0.942 107.3 50.7 -68.8 -49.7 32.4 -10.8 25.8 29 32 A A H 3<5S+ 0 0 89 -4,-3.2 -1,-0.2 1,-0.3 -2,-0.2 0.744 103.8 62.1 -64.7 -19.8 32.0 -11.3 29.6 30 33 A R T 3<5S- 0 0 138 -4,-1.4 -1,-0.3 -5,-0.2 -2,-0.2 0.376 124.5-102.4 -86.8 3.8 28.6 -12.9 29.0 31 34 A G T < 5S+ 0 0 67 -3,-2.3 -3,-0.2 1,-0.3 -2,-0.1 0.418 72.9 139.4 99.1 0.9 30.3 -15.6 27.0 32 35 A Y < - 0 0 54 -5,-1.8 2,-0.5 1,-0.1 -1,-0.3 -0.385 55.1-120.9 -79.0 152.1 29.7 -14.7 23.4 33 36 A A E -a 4 0A 50 -30,-1.8 -28,-2.2 -2,-0.1 2,-0.4 -0.825 38.4-156.4 -82.2 130.9 32.1 -14.9 20.4 34 37 A V E -a 5 0A 4 -2,-0.5 16,-1.0 -30,-0.2 2,-0.6 -0.951 19.1-166.6-121.3 131.1 32.4 -11.3 19.1 35 38 A M E -ac 6 50A 12 -30,-2.0 -28,-2.6 -2,-0.4 2,-0.3 -0.962 14.1-167.2-108.9 117.8 33.4 -10.0 15.7 36 39 A V E -ac 7 51A 1 14,-2.6 16,-0.9 -2,-0.6 -28,-0.1 -0.683 31.3 -98.7 -97.2 156.4 34.2 -6.3 15.6 37 40 A E E > - c 0 52A 23 -30,-1.3 4,-2.2 -2,-0.3 3,-0.5 -0.495 36.1-114.3 -70.8 146.1 34.5 -4.3 12.4 38 41 A Q H > S+ 0 0 98 14,-1.2 4,-2.0 1,-0.2 5,-0.1 0.843 113.2 52.2 -48.1 -43.6 38.2 -3.7 11.4 39 42 A Q H > S+ 0 0 78 1,-0.2 4,-2.8 2,-0.2 -1,-0.2 0.896 110.9 46.5 -63.2 -42.4 38.1 0.1 11.9 40 43 A I H > S+ 0 0 0 -3,-0.5 4,-2.8 2,-0.2 -1,-0.2 0.849 108.0 55.3 -73.2 -37.1 36.7 -0.2 15.4 41 44 A A H X>S+ 0 0 6 -4,-2.2 5,-2.3 2,-0.2 4,-0.7 0.942 114.0 43.0 -57.1 -45.4 39.2 -2.9 16.5 42 45 A H H ><5S+ 0 0 147 -4,-2.0 3,-0.6 -5,-0.2 -2,-0.2 0.927 114.0 50.2 -65.6 -44.8 41.9 -0.4 15.3 43 46 A D H 3<5S+ 0 0 68 -4,-2.8 -2,-0.2 1,-0.2 -1,-0.2 0.852 120.1 35.3 -65.7 -35.4 40.2 2.6 17.0 44 47 A L H 3<5S- 0 0 23 -4,-2.8 -1,-0.2 -5,-0.1 -2,-0.2 0.416 106.2-124.8 -95.7 -1.1 39.8 0.8 20.3 45 48 A N T <<5 + 0 0 121 -4,-0.7 2,-1.4 -3,-0.6 -3,-0.2 0.922 40.8 175.9 54.2 48.7 43.0 -1.1 20.1 46 49 A L < + 0 0 24 -5,-2.3 3,-0.3 -6,-0.2 -1,-0.2 -0.637 6.1 173.1 -85.9 85.1 41.3 -4.5 20.5 47 50 A T S S+ 0 0 120 -2,-1.4 -1,-0.2 1,-0.2 -2,-0.1 0.811 78.2 43.1 -64.8 -32.4 44.3 -6.8 20.1 48 51 A D S S+ 0 0 134 -3,-0.2 -1,-0.2 2,-0.1 -2,-0.1 0.692 90.2 114.6 -85.3 -21.6 42.4 -9.9 21.1 49 52 A A - 0 0 15 -3,-0.3 2,-0.5 1,-0.1 -14,-0.1 -0.145 67.3-127.8 -59.3 142.7 39.3 -9.1 19.1 50 53 A I E -c 35 0A 97 -16,-1.0 -14,-2.6 2,-0.0 2,-0.2 -0.809 40.0-173.2 -80.2 125.7 38.1 -11.2 16.2 51 54 A T E +c 36 0A 49 -2,-0.5 2,-0.3 -16,-0.3 -14,-0.2 -0.584 15.1 157.9-117.2-179.2 37.6 -8.7 13.4 52 55 A G E -c 37 0A 5 -16,-0.9 -14,-1.2 -2,-0.2 2,-0.0 -0.901 42.0 -87.0 173.8 161.1 36.3 -8.8 9.9 53 56 A S > - 0 0 57 -2,-0.3 4,-2.2 -16,-0.2 5,-0.2 -0.171 53.4 -97.0 -67.6 179.5 34.8 -6.7 7.1 54 57 A L H > S+ 0 0 32 2,-0.2 4,-2.3 1,-0.2 5,-0.1 0.875 127.7 51.5 -71.5 -40.6 31.1 -6.1 7.1 55 58 A A H > S+ 0 0 34 2,-0.2 4,-1.0 1,-0.2 -1,-0.2 0.890 109.0 52.5 -62.2 -40.4 30.6 -8.9 4.6 56 59 A D H >> S+ 0 0 83 2,-0.2 4,-2.0 1,-0.2 3,-0.9 0.944 111.5 43.8 -57.8 -55.6 32.6 -11.2 6.9 57 60 A I H 3X S+ 0 0 0 -4,-2.2 4,-2.8 1,-0.3 -1,-0.2 0.889 111.1 58.0 -56.0 -39.9 30.5 -10.4 10.0 58 61 A G H 3< S+ 0 0 4 -4,-2.3 -1,-0.3 1,-0.2 -2,-0.2 0.756 113.1 37.6 -64.5 -25.2 27.5 -10.8 7.7 59 62 A Q H << S+ 0 0 115 -4,-1.0 -1,-0.2 -3,-0.9 -2,-0.2 0.699 128.1 30.5 -97.7 -24.9 28.5 -14.3 6.8 60 63 A K H < S+ 0 0 147 -4,-2.0 2,-0.2 -5,-0.1 -3,-0.2 0.653 101.4 79.5-115.2 -20.5 29.8 -15.5 10.1 61 64 A A < - 0 0 7 -4,-2.8 -56,-0.2 -5,-0.3 3,-0.1 -0.619 58.7-152.6 -91.7 152.2 27.8 -13.7 12.9 62 65 A D S S+ 0 0 65 -58,-3.2 24,-1.7 1,-0.3 2,-0.3 0.676 85.3 20.3 -93.2 -21.5 24.3 -14.6 14.0 63 66 A L E -bd 5 86A 0 -59,-1.4 -57,-2.9 22,-0.2 2,-0.5 -0.988 66.1-154.2-148.2 135.8 23.4 -11.1 15.0 64 67 A A E -bd 6 87A 0 22,-2.8 24,-2.3 -2,-0.3 2,-0.9 -0.967 6.8-154.8-112.5 120.9 24.9 -7.7 14.1 65 68 A V E -bd 7 88A 1 -59,-2.9 -57,-2.2 -2,-0.5 2,-0.9 -0.842 12.1-157.5 -91.3 105.6 24.5 -4.8 16.6 66 69 A V E -bd 8 89A 0 22,-2.5 24,-2.2 -2,-0.9 2,-0.3 -0.769 7.8-161.5 -84.0 107.0 24.7 -1.7 14.4 67 70 A V E + d 0 90A 6 -59,-2.4 -57,-0.3 -2,-0.9 2,-0.3 -0.703 50.1 40.9 -84.8 140.1 25.7 1.2 16.7 68 71 A G S S- 0 0 8 22,-2.0 2,-0.1 -2,-0.3 -2,-0.0 -0.869 90.5 -35.4 129.2-158.6 25.1 4.7 15.5 69 72 A G > - 0 0 24 -2,-0.3 4,-2.1 22,-0.2 3,-0.2 -0.315 63.3 -90.1 -95.0-178.1 22.3 6.6 13.7 70 73 A D H > S+ 0 0 46 1,-0.2 4,-0.9 2,-0.2 -1,-0.1 0.774 126.4 56.4 -61.2 -26.8 19.9 5.7 10.9 71 74 A G H > S+ 0 0 58 2,-0.2 4,-1.0 1,-0.2 -1,-0.2 0.871 104.9 49.4 -74.8 -39.1 22.4 6.9 8.4 72 75 A N H > S+ 0 0 48 1,-0.2 4,-1.6 -3,-0.2 3,-0.4 0.928 109.5 53.8 -59.2 -46.8 25.1 4.5 9.7 73 76 A M H X S+ 0 0 0 -4,-2.1 4,-3.1 1,-0.2 5,-0.2 0.797 97.7 69.5 -57.6 -28.8 22.4 1.8 9.5 74 77 A L H X S+ 0 0 30 -4,-0.9 4,-1.4 2,-0.2 -1,-0.2 0.921 105.8 32.7 -63.4 -50.3 21.9 2.7 5.8 75 78 A G H X S+ 0 0 29 -4,-1.0 4,-1.0 -3,-0.4 -1,-0.2 0.881 121.3 52.0 -71.8 -37.8 25.2 1.4 4.3 76 79 A A H X S+ 0 0 5 -4,-1.6 4,-2.7 1,-0.2 3,-0.3 0.891 109.3 49.5 -62.9 -41.2 25.4 -1.4 6.9 77 80 A A H X S+ 0 0 0 -4,-3.1 4,-1.9 1,-0.2 -1,-0.2 0.872 102.0 59.9 -72.1 -38.5 21.9 -2.6 6.1 78 81 A R H < S+ 0 0 37 -4,-1.4 -1,-0.2 -5,-0.2 -2,-0.2 0.828 115.6 36.6 -60.5 -32.0 22.3 -2.7 2.4 79 82 A V H >< S+ 0 0 34 -4,-1.0 3,-2.7 -3,-0.3 -2,-0.2 0.939 114.4 51.3 -83.0 -55.7 25.1 -5.2 2.9 80 83 A L H ><>S+ 0 0 0 -4,-2.7 3,-1.3 1,-0.3 5,-0.6 0.707 99.4 68.7 -56.8 -20.3 23.8 -7.2 5.8 81 84 A A T 3<5S+ 0 0 3 -4,-1.9 178,-1.0 1,-0.3 -1,-0.3 0.581 85.3 69.0 -73.2 -11.8 20.6 -7.7 3.9 82 85 A R T < 5S+ 0 0 112 -3,-2.7 2,-0.3 176,-0.2 -1,-0.3 0.501 103.9 53.5 -79.2 -4.9 22.5 -9.9 1.4 83 86 A Y T < 5S- 0 0 52 -3,-1.3 2,-1.3 -4,-0.2 178,-0.3 -0.848 90.0-109.8-132.9 161.5 22.8 -12.4 4.3 84 87 A D T 5S+ 0 0 108 -2,-0.3 2,-0.4 -26,-0.1 -3,-0.1 -0.440 70.4 129.7 -91.0 60.9 20.6 -14.3 6.8 85 88 A I < - 0 0 1 -2,-1.3 176,-0.5 -5,-0.6 2,-0.3 -0.930 60.3-119.5-116.6 140.6 21.8 -12.4 9.8 86 89 A K E -de 63 261A 43 -24,-1.7 -22,-2.8 -2,-0.4 2,-0.4 -0.612 31.4-161.7 -73.4 134.1 19.7 -10.7 12.5 87 90 A V E +de 64 262A 0 174,-2.3 176,-1.9 -2,-0.3 2,-0.3 -0.974 16.5 166.6-124.3 129.3 20.3 -7.0 12.7 88 91 A I E -d 65 0A 0 -24,-2.3 -22,-2.5 -2,-0.4 2,-0.4 -0.985 19.6-144.1-138.1 149.1 19.4 -4.6 15.5 89 92 A G E -d 66 0A 0 9,-0.4 12,-1.9 -2,-0.3 2,-0.6 -0.891 11.1-148.5-122.0 146.6 20.5 -1.1 16.1 90 93 A V E -df 67 101A 6 -24,-2.2 -22,-2.0 -2,-0.4 12,-0.2 -0.941 26.8-159.4-105.4 118.9 21.5 1.2 19.0 91 94 A N - 0 0 7 10,-1.4 2,-0.4 -2,-0.6 -23,-0.2 -0.012 19.6-114.6 -79.1-169.2 20.6 4.8 18.2 92 95 A R S S- 0 0 156 2,-0.4 2,-0.8 7,-0.1 10,-0.1 -0.889 80.5 -31.4-132.3 98.9 22.0 8.0 19.8 93 96 A G S S+ 0 0 48 -2,-0.4 11,-0.2 0, 0.0 -2,-0.1 -0.836 120.8 32.0 98.8-110.1 19.3 9.8 21.7 94 97 A N S S- 0 0 133 -2,-0.8 -2,-0.4 1,-0.1 2,-0.0 -0.274 91.9 -84.8 -82.6 168.9 15.8 9.4 20.3 95 98 A L - 0 0 43 -4,-0.1 2,-0.3 5,-0.1 5,-0.2 -0.308 40.0-162.7 -67.4 151.4 14.3 6.4 18.5 96 99 A G - 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