==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=6-NOV-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 04-NOV-10 3PHH . COMPND 2 MOLECULE: SHIKIMATE DEHYDROGENASE; . SOURCE 2 ORGANISM_SCIENTIFIC: HELICOBACTER PYLORI; . AUTHOR W.C.CHENG,S.C.LIN,W.C.WANG . 260 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12634.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 176 67.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 42 16.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 10 3.8 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 . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.4 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 0.4 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 . 15 5.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 18 6.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 80 30.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 1.9 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 3 2 0 1 1 1 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 2 1 2 2 0 0 1 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 1 0 1 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 ANTIPARALLEL BRIDGES PER LADDER . 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 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 0 141 0, 0.0 2,-0.2 0, 0.0 34,-0.1 0.000 360.0 360.0 360.0 145.1 28.1 -8.0 -28.1 2 2 A K - 0 0 148 32,-0.4 34,-3.0 1,-0.0 2,-0.3 -0.556 360.0-146.6 -66.0 135.4 25.6 -10.9 -27.8 3 3 A L E -a 36 0A 125 -2,-0.2 2,-0.3 32,-0.2 34,-0.2 -0.856 17.7-173.0-111.6 145.0 22.1 -9.3 -27.9 4 4 A K E -a 37 0A 69 32,-2.0 34,-1.6 -2,-0.3 2,-0.4 -0.993 14.6-140.0-134.5 143.6 18.9 -10.3 -26.1 5 5 A S E +ab 38 59A 54 53,-0.5 55,-3.2 -2,-0.3 56,-1.0 -0.837 23.0 168.6-109.4 140.9 15.4 -8.9 -26.6 6 6 A F E +ab 39 61A 3 32,-2.8 34,-2.1 -2,-0.4 2,-0.3 -0.906 3.6 165.1-139.2 164.1 12.9 -8.3 -23.8 7 7 A G E -ab 40 62A 0 54,-0.9 56,-2.5 -2,-0.3 2,-0.4 -0.980 33.5-109.9-165.8 179.0 9.6 -6.5 -23.6 8 8 A V E -ab 41 63A 2 32,-1.7 34,-3.1 -2,-0.3 2,-0.5 -0.997 25.8-150.7-125.5 124.3 6.4 -5.8 -21.7 9 9 A F E +ab 42 64A 0 54,-2.6 56,-2.6 -2,-0.4 2,-0.3 -0.815 37.0 127.3 -93.0 130.1 3.1 -7.1 -23.0 10 10 A G E -a 43 0A 0 32,-1.9 34,-1.7 -2,-0.5 3,-0.2 -0.985 53.3-109.7-168.5 169.7 -0.0 -5.1 -22.2 11 11 A N S S+ 0 0 47 55,-2.4 2,-0.2 1,-0.5 32,-0.1 -0.725 111.4 19.8-153.3 102.8 -3.1 -3.3 -23.5 12 12 A P S S+ 0 0 68 0, 0.0 -1,-0.5 0, 0.0 53,-0.0 0.550 79.8 160.2 -77.0 173.0 -2.7 -0.4 -23.1 13 13 A I > + 0 0 17 -3,-0.2 3,-2.0 -2,-0.2 -2,-0.1 0.495 42.5 98.4-135.7 -11.0 1.0 -0.1 -22.8 14 14 A K T 3 S+ 0 0 172 1,-0.3 29,-0.0 27,-0.0 -3,-0.0 0.813 86.2 51.8 -53.9 -32.7 2.0 3.5 -23.6 15 15 A H T 3 S+ 0 0 112 2,-0.0 -1,-0.3 0, 0.0 2,-0.1 0.601 79.8 120.6 -83.8 -7.1 2.2 4.5 -19.9 16 16 A S < - 0 0 22 -3,-2.0 4,-0.2 1,-0.2 -3,-0.1 -0.319 42.0-170.1 -62.8 132.2 4.5 1.6 -18.9 17 17 A K > + 0 0 81 1,-0.1 4,-1.9 2,-0.1 5,-0.2 0.236 63.0 100.6-101.2 10.4 7.8 2.7 -17.4 18 18 A S H > S+ 0 0 5 2,-0.2 4,-2.8 1,-0.2 5,-0.3 0.910 77.8 53.8 -62.2 -41.8 9.3 -0.8 -17.5 19 19 A P H > S+ 0 0 16 0, 0.0 4,-2.7 0, 0.0 5,-0.3 0.951 108.0 50.7 -60.4 -45.1 11.3 -0.1 -20.7 20 20 A L H > S+ 0 0 85 -4,-0.2 4,-1.6 1,-0.2 -2,-0.2 0.937 116.6 39.1 -54.0 -49.8 13.0 2.9 -19.1 21 21 A I H X S+ 0 0 0 -4,-1.9 4,-1.3 2,-0.2 -1,-0.2 0.890 117.7 47.0 -76.1 -37.2 14.0 1.1 -15.9 22 22 A H H X S+ 0 0 0 -4,-2.8 4,-2.8 -5,-0.2 5,-0.2 0.916 109.9 53.5 -68.4 -42.0 15.0 -2.2 -17.5 23 23 A N H X S+ 0 0 36 -4,-2.7 4,-2.5 -5,-0.3 -2,-0.2 0.891 105.3 54.5 -61.6 -37.5 17.0 -0.6 -20.3 24 24 A A H X S+ 0 0 19 -4,-1.6 4,-1.6 -5,-0.3 -1,-0.2 0.898 111.2 46.2 -61.0 -39.4 19.0 1.4 -17.7 25 25 A C H X S+ 0 0 0 -4,-1.3 4,-3.0 2,-0.2 -2,-0.2 0.931 111.5 49.7 -69.2 -44.8 19.9 -1.9 -16.0 26 26 A F H X S+ 0 0 2 -4,-2.8 4,-0.8 1,-0.2 -2,-0.2 0.906 109.0 54.6 -61.4 -38.0 20.8 -3.7 -19.2 27 27 A L H < S+ 0 0 106 -4,-2.5 -1,-0.2 -5,-0.2 -2,-0.2 0.891 117.5 33.5 -63.7 -40.3 23.1 -0.8 -20.2 28 28 A T H >< S+ 0 0 63 -4,-1.6 3,-0.9 1,-0.2 4,-0.3 0.909 118.9 48.6 -85.2 -41.2 25.1 -0.9 -17.0 29 29 A F H 3X S+ 0 0 14 -4,-3.0 4,-3.2 1,-0.2 5,-0.3 0.431 79.0 99.1 -82.6 5.4 25.1 -4.6 -16.2 30 30 A Q H 3X S+ 0 0 42 -4,-0.8 4,-2.1 1,-0.2 5,-0.5 0.834 80.5 58.2 -59.6 -28.8 26.1 -5.6 -19.7 31 31 A K H <4 S+ 0 0 133 -3,-0.9 -1,-0.2 2,-0.2 -2,-0.2 0.970 113.7 34.8 -64.3 -51.8 29.6 -6.0 -18.3 32 32 A E H 4 S+ 0 0 115 -4,-0.3 -2,-0.2 1,-0.2 -1,-0.2 0.882 122.9 47.2 -68.6 -37.1 28.7 -8.5 -15.7 33 33 A L H < S- 0 0 10 -4,-3.2 -1,-0.2 2,-0.2 -2,-0.2 0.744 92.5-142.2 -76.8 -27.0 26.0 -10.2 -18.0 34 34 A R S < S+ 0 0 212 -4,-2.1 -32,-0.4 -5,-0.3 2,-0.3 0.747 74.5 78.2 65.8 23.0 28.2 -10.4 -21.1 35 35 A F S S- 0 0 19 -5,-0.5 2,-0.6 -6,-0.2 -32,-0.2 -0.972 76.7-127.8-151.3 155.5 25.2 -9.6 -23.3 36 36 A L E -a 3 0A 54 -34,-3.0 -32,-2.0 -2,-0.3 2,-0.2 -0.942 27.2-164.2-109.0 114.5 23.3 -6.4 -24.1 37 37 A G E -a 4 0A 2 -2,-0.6 2,-0.4 -34,-0.2 -32,-0.2 -0.648 4.8-163.9 -93.3 153.2 19.6 -6.6 -23.5 38 38 A H E -a 5 0A 86 -34,-1.6 -32,-2.8 -2,-0.2 2,-0.5 -0.992 4.8-156.4-137.4 137.4 17.0 -4.3 -24.9 39 39 A Y E -a 6 0A 1 -2,-0.4 -32,-0.3 -20,-0.2 -16,-0.1 -0.939 12.6-178.9-120.2 126.6 13.5 -4.0 -23.6 40 40 A H E -a 7 0A 105 -34,-2.1 -32,-1.7 -2,-0.5 2,-0.3 -0.908 30.3-111.3-124.2 152.8 10.5 -2.6 -25.6 41 41 A P E -a 8 0A 66 0, 0.0 2,-0.5 0, 0.0 -32,-0.2 -0.624 31.2-160.3 -80.2 139.7 6.8 -2.0 -24.9 42 42 A I E -a 9 0A 22 -34,-3.1 -32,-1.9 -2,-0.3 2,-0.8 -0.957 8.8-152.0-127.6 111.3 4.5 -4.4 -26.8 43 43 A L E -a 10 0A 107 -2,-0.5 -32,-0.2 -34,-0.2 -34,-0.1 -0.745 19.2-165.0 -80.6 112.1 0.8 -3.6 -27.4 44 44 A L - 0 0 0 -34,-1.7 6,-0.0 -2,-0.8 -2,-0.0 -0.853 22.0-117.9 -99.6 133.5 -1.0 -6.9 -27.7 45 45 A P - 0 0 54 0, 0.0 3,-0.4 0, 0.0 -34,-0.0 -0.369 33.5-109.7 -62.5 151.3 -4.5 -7.1 -29.1 46 46 A L S S+ 0 0 104 1,-0.2 -35,-0.0 3,-0.0 -2,-0.0 0.691 115.3 33.3 -58.0 -23.3 -7.0 -8.4 -26.5 47 47 A E S S+ 0 0 144 2,-0.1 -1,-0.2 0, 0.0 -3,-0.0 0.568 91.4 99.9-110.7 -19.6 -7.4 -11.7 -28.4 48 48 A S S S- 0 0 32 -3,-0.4 2,-0.4 1,-0.1 -4,-0.0 -0.284 79.2-112.6 -58.2 158.3 -4.0 -12.3 -30.0 49 49 A H > - 0 0 99 1,-0.1 4,-1.4 26,-0.0 3,-0.2 -0.856 9.2-138.8-113.4 139.9 -2.1 -14.8 -27.8 50 50 A I H > S+ 0 0 0 -2,-0.4 4,-2.9 1,-0.2 5,-0.2 0.844 96.2 55.7 -52.7 -47.6 1.1 -14.1 -25.8 51 51 A K H > S+ 0 0 70 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.905 105.5 51.5 -61.8 -44.7 3.1 -17.3 -26.5 52 52 A S H > S+ 0 0 58 -3,-0.2 4,-2.7 1,-0.2 -1,-0.2 0.927 115.0 43.0 -55.7 -46.2 3.0 -16.8 -30.3 53 53 A E H X S+ 0 0 46 -4,-1.4 4,-2.7 2,-0.2 6,-0.3 0.915 110.1 55.5 -70.2 -42.3 4.3 -13.2 -30.1 54 54 A F H <>S+ 0 0 0 -4,-2.9 5,-1.9 1,-0.2 4,-0.3 0.937 115.7 39.1 -53.8 -47.5 6.9 -14.0 -27.4 55 55 A L H ><5S+ 0 0 91 -4,-2.4 3,-1.1 -5,-0.2 -2,-0.2 0.907 114.3 52.5 -72.1 -40.2 8.4 -16.6 -29.7 56 56 A H H 3<5S+ 0 0 171 -4,-2.7 -2,-0.2 1,-0.3 -1,-0.2 0.868 109.4 49.6 -64.7 -36.8 7.9 -14.7 -33.0 57 57 A L T 3<5S- 0 0 84 -4,-2.7 -1,-0.3 -5,-0.2 -2,-0.2 0.535 108.8-127.5 -77.0 -9.0 9.7 -11.6 -31.5 58 58 A G T < 5 + 0 0 50 -3,-1.1 -53,-0.5 -4,-0.3 -3,-0.2 0.792 44.2 177.0 66.4 31.2 12.6 -13.9 -30.3 59 59 A L E < -b 5 0A 9 -5,-1.9 -53,-0.2 -6,-0.3 -1,-0.2 -0.332 33.5-160.3 -69.2 146.3 12.4 -12.6 -26.8 60 60 A S E S- 0 0 28 -55,-3.2 34,-2.4 1,-0.3 2,-0.3 0.625 78.7 -12.7 -91.6 -22.6 14.5 -14.0 -24.0 61 61 A G E -bC 6 93A 0 -56,-1.0 -54,-0.9 32,-0.2 -1,-0.3 -0.982 63.0-173.6-169.5 164.1 12.1 -12.7 -21.4 62 62 A A E -bC 7 92A 0 30,-2.5 30,-3.3 -2,-0.3 2,-0.3 -0.992 21.4-126.0-161.0 157.0 9.2 -10.4 -20.8 63 63 A N E -bC 8 91A 4 -56,-2.5 -54,-2.6 -2,-0.3 2,-0.4 -0.781 21.4-149.5 -99.9 159.6 6.8 -8.8 -18.3 64 64 A V E +b 9 0A 3 26,-2.0 2,-0.2 -2,-0.3 -54,-0.2 -0.990 20.9 171.2-127.9 133.1 3.1 -9.1 -18.6 65 65 A T > + 0 0 44 -56,-2.6 3,-2.1 -2,-0.4 24,-0.0 -0.703 37.6 6.4-131.1-174.6 0.8 -6.3 -17.4 66 66 A L T 3 S+ 0 0 51 1,-0.3 -55,-2.4 -2,-0.2 -1,-0.2 -0.083 120.6 4.5 -47.1 137.0 -3.0 -5.5 -17.6 67 67 A P T 3 S+ 0 0 56 0, 0.0 -1,-0.3 0, 0.0 4,-0.3 -0.762 121.2 62.5-108.8 37.2 -5.1 -7.3 -18.7 68 68 A F <> + 0 0 0 -3,-2.1 4,-2.4 -59,-0.2 5,-0.2 0.370 64.0 99.7-106.9 4.6 -3.0 -10.4 -19.5 69 69 A K H > S+ 0 0 15 1,-0.2 20,-2.2 2,-0.2 4,-1.5 0.874 88.1 45.6 -66.4 -37.6 -1.6 -11.8 -16.2 70 70 A E H > S+ 0 0 77 18,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.927 113.3 50.6 -69.0 -41.5 -4.2 -14.5 -15.8 71 71 A R H > S+ 0 0 73 -4,-0.3 4,-2.5 1,-0.2 5,-0.2 0.908 106.1 56.0 -61.5 -38.9 -3.9 -15.5 -19.4 72 72 A A H X S+ 0 0 0 -4,-2.4 4,-1.8 17,-0.3 -1,-0.2 0.885 103.2 54.9 -61.6 -37.0 -0.1 -15.7 -19.0 73 73 A F H < S+ 0 0 40 -4,-1.5 -1,-0.2 1,-0.2 -2,-0.2 0.893 113.3 43.5 -60.9 -39.6 -0.5 -18.1 -16.1 74 74 A Q H < S+ 0 0 145 -4,-1.6 -2,-0.2 -3,-0.2 -1,-0.2 0.864 117.0 42.3 -74.4 -38.9 -2.6 -20.3 -18.4 75 75 A V H < S+ 0 0 45 -4,-2.5 -2,-0.2 -5,-0.1 -1,-0.2 0.657 88.9 97.1 -91.3 -16.5 -0.4 -20.1 -21.6 76 76 A C S < S- 0 0 13 -4,-1.8 24,-0.2 -5,-0.2 3,-0.1 -0.309 72.9-131.8 -68.2 161.1 3.1 -20.5 -20.1 77 77 A D S S+ 0 0 73 22,-2.5 2,-0.3 1,-0.3 23,-0.2 0.765 85.3 15.9 -85.2 -27.8 4.6 -24.0 -20.2 78 78 A K E -d 100 0A 87 21,-1.3 23,-3.2 2,-0.0 2,-0.5 -0.989 65.1-148.8-151.0 136.8 5.8 -24.1 -16.6 79 79 A I E -d 101 0A 40 -2,-0.3 2,-0.3 21,-0.2 23,-0.2 -0.938 22.5-177.9-109.8 129.8 5.0 -22.1 -13.6 80 80 A K > + 0 0 77 21,-2.6 3,-0.8 -2,-0.5 23,-0.3 -0.911 39.9 2.0-129.9 155.8 7.7 -21.6 -11.0 81 81 A G G > S- 0 0 50 -2,-0.3 3,-2.2 1,-0.2 4,-0.2 -0.219 119.6 -20.5 72.5-158.7 8.0 -19.9 -7.6 82 82 A I G > S+ 0 0 49 1,-0.3 3,-2.5 21,-0.2 4,-0.5 0.738 120.3 82.3 -60.1 -23.0 5.2 -18.1 -5.8 83 83 A A G X>>S+ 0 0 0 -3,-0.8 3,-1.2 1,-0.3 4,-0.9 0.794 75.2 75.3 -49.8 -30.2 3.3 -17.8 -9.2 84 84 A L G <45S+ 0 0 110 -3,-2.2 -1,-0.3 1,-0.3 -2,-0.2 0.800 106.0 33.0 -51.5 -30.7 2.2 -21.3 -8.5 85 85 A E G <45S+ 0 0 97 -3,-2.5 -1,-0.3 -4,-0.2 -2,-0.2 0.355 107.1 71.0-110.0 2.0 -0.3 -19.9 -5.9 86 86 A C T <45S- 0 0 0 -3,-1.2 -2,-0.2 -4,-0.5 -3,-0.1 0.576 82.6-141.4 -96.1 -13.3 -1.0 -16.5 -7.6 87 87 A G T <5S+ 0 0 14 -4,-0.9 2,-0.3 1,-0.1 -14,-0.2 0.747 77.9 81.5 55.7 26.1 -3.1 -17.7 -10.6 88 88 A A < - 0 0 0 -5,-0.5 2,-0.4 -15,-0.1 -18,-0.2 -0.982 62.6-155.8-162.3 143.1 -1.3 -15.0 -12.5 89 89 A V + 0 0 0 -20,-2.2 -17,-0.3 -2,-0.3 14,-0.2 -0.996 17.1 167.1-127.6 129.4 2.1 -14.5 -14.2 90 90 A N + 0 0 2 12,-1.6 -26,-2.0 -2,-0.4 2,-0.4 0.382 68.7 56.7-117.0 1.7 3.7 -11.2 -14.8 91 91 A T E -CE 63 102A 0 11,-1.9 11,-3.0 -28,-0.3 2,-0.4 -0.995 59.8-172.1-140.4 125.9 7.2 -12.4 -15.8 92 92 A L E -CE 62 101A 0 -30,-3.3 -30,-2.5 -2,-0.4 2,-0.4 -0.958 4.6-178.6-119.5 134.4 8.1 -14.8 -18.6 93 93 A V E -CE 61 100A 11 7,-2.4 7,-2.8 -2,-0.4 2,-0.8 -0.999 27.0-131.3-134.5 135.2 11.5 -16.3 -19.2 94 94 A L E + E 0 99A 59 -34,-2.4 2,-0.5 -2,-0.4 5,-0.2 -0.752 35.9 173.9 -83.8 113.6 12.6 -18.6 -22.0 95 95 A E E > - E 0 98A 50 3,-2.9 3,-1.4 -2,-0.8 -2,-0.1 -0.978 66.0 -24.6-129.4 119.0 14.5 -21.4 -20.2 96 96 A N T 3 S- 0 0 165 -2,-0.5 -1,-0.1 1,-0.3 3,-0.1 0.903 126.0 -51.9 42.5 53.6 15.8 -24.4 -22.1 97 97 A D T 3 S+ 0 0 148 1,-0.2 2,-0.4 -3,-0.0 -1,-0.3 0.716 116.1 115.2 55.9 29.3 13.1 -23.9 -24.7 98 98 A E E < - 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