==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=21-DEC-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 23-JUN-12 4FPX . COMPND 2 MOLECULE: SHIKIMATE DEHYDROGENASE; . SOURCE 2 ORGANISM_SCIENTIFIC: HELICOBACTER PYLORI; . AUTHOR W.C.CHENG,T.J.CHEN,W.C.WANG . 517 5 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 23898.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 368 71.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 85 16.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 20 3.9 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 . 2 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 . 2 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 . 33 6.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 44 8.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 160 30.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 13 2.5 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 3 0 2 4 5 0 1 3 2 0 0 2 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 4 2 4 4 0 0 1 1 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 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 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 0 4 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 0 147 0, 0.0 2,-0.4 0, 0.0 34,-0.1 0.000 360.0 360.0 360.0 133.0 -0.1 -25.3 32.4 2 2 A K E -a 35 0A 150 32,-0.5 34,-2.4 1,-0.0 2,-0.3 -0.633 360.0-141.0 -66.6 126.1 -2.3 -22.6 34.0 3 3 A L E -a 36 0A 110 -2,-0.4 2,-0.4 32,-0.2 34,-0.2 -0.742 17.6-169.6 -92.3 143.1 -0.8 -19.2 32.9 4 4 A K E -a 37 0A 71 32,-2.5 34,-2.5 -2,-0.3 2,-0.4 -1.000 13.4-139.7-132.3 139.8 -0.5 -16.1 35.1 5 5 A S E +ab 38 59A 24 53,-0.5 55,-3.1 -2,-0.4 56,-1.0 -0.752 22.4 171.3-103.3 138.7 0.4 -12.6 33.9 6 6 A F E +ab 39 61A 4 32,-3.0 34,-1.6 -2,-0.4 2,-0.3 -0.886 3.7 171.1-132.4 165.8 2.7 -10.1 35.7 7 7 A G E -ab 40 62A 0 54,-0.7 56,-2.4 -2,-0.3 2,-0.4 -0.968 31.9-114.8-161.2 178.1 4.1 -6.8 34.8 8 8 A V E -ab 41 63A 4 32,-1.9 34,-3.4 -2,-0.3 2,-0.6 -0.994 24.8-148.0-125.6 119.0 6.0 -3.8 35.8 9 9 A F E +ab 42 64A 0 54,-2.8 56,-2.8 -2,-0.4 2,-0.3 -0.823 38.9 136.2 -83.2 121.0 4.2 -0.4 35.8 10 10 A G E -a 43 0A 0 32,-1.9 34,-2.2 -2,-0.6 3,-0.3 -0.934 47.9-123.6-152.9 173.1 6.5 2.5 35.0 11 11 A N S S+ 0 0 40 55,-2.1 2,-0.2 1,-1.1 32,-0.1 -0.549 111.7 18.3-166.2 98.1 6.9 5.7 33.0 12 12 A P S S+ 0 0 23 0, 0.0 -1,-1.1 0, 0.0 54,-0.0 0.604 88.4 151.2 -79.8 173.7 9.3 5.4 31.4 13 13 A I > + 0 0 8 -3,-0.3 3,-2.0 -2,-0.2 -2,-0.1 0.491 41.4 92.4-140.0 -22.7 9.6 1.7 31.6 14 14 A K T 3 S+ 0 0 81 1,-0.3 29,-0.0 27,-0.1 259,-0.0 0.801 82.4 62.2 -60.6 -28.7 11.3 0.3 28.4 15 15 A H T 3 S+ 0 0 49 2,-0.0 -1,-0.3 427,-0.0 -2,-0.0 0.570 81.7 126.8 -64.0 -10.9 14.8 0.4 30.0 16 16 A S < - 0 0 19 -3,-2.0 4,-0.2 1,-0.1 -3,-0.1 -0.233 46.3-167.9 -74.2 139.5 13.7 -2.1 32.7 17 17 A K > + 0 0 64 1,-0.2 4,-1.7 2,-0.1 5,-0.2 0.433 68.6 95.8 -95.5 -2.8 15.6 -5.3 33.5 18 18 A S H > S+ 0 0 13 1,-0.2 4,-2.1 2,-0.2 5,-0.3 0.853 78.3 53.8 -56.0 -41.2 12.7 -6.7 35.6 19 19 A P H > S+ 0 0 20 0, 0.0 4,-2.6 0, 0.0 5,-0.3 0.930 108.0 52.3 -63.6 -38.6 11.1 -8.7 32.8 20 20 A L H > S+ 0 0 85 -4,-0.2 4,-2.0 1,-0.2 -2,-0.2 0.954 114.6 37.9 -59.4 -54.3 14.4 -10.5 32.1 21 21 A I H X S+ 0 0 0 -4,-1.7 4,-1.2 1,-0.2 -1,-0.2 0.845 118.3 49.5 -73.1 -29.6 15.1 -11.6 35.7 22 22 A H H X S+ 0 0 0 -4,-2.1 4,-2.4 -5,-0.2 -1,-0.2 0.912 110.8 48.4 -76.5 -41.9 11.4 -12.4 36.5 23 23 A N H X S+ 0 0 43 -4,-2.6 4,-2.5 -5,-0.3 5,-0.2 0.889 105.7 59.2 -68.5 -36.6 10.8 -14.5 33.4 24 24 A A H X S+ 0 0 16 -4,-2.0 4,-1.6 -5,-0.3 -1,-0.2 0.900 111.6 41.9 -52.9 -41.3 14.1 -16.5 34.1 25 25 A C H X S+ 0 0 0 -4,-1.2 4,-2.0 2,-0.2 -2,-0.2 0.847 110.1 55.4 -76.9 -37.5 12.6 -17.5 37.5 26 26 A F H X S+ 0 0 1 -4,-2.4 4,-0.5 1,-0.2 -2,-0.2 0.913 112.0 45.2 -59.8 -39.5 9.1 -18.1 36.2 27 27 A L H < S+ 0 0 105 -4,-2.5 3,-0.4 1,-0.2 4,-0.2 0.881 115.2 46.5 -70.3 -38.0 10.7 -20.6 33.7 28 28 A T H < S+ 0 0 71 -4,-1.6 3,-0.3 -5,-0.2 -1,-0.2 0.820 119.3 38.1 -71.7 -29.6 12.9 -22.2 36.2 29 29 A F H X S+ 0 0 15 -4,-2.0 4,-3.2 1,-0.2 5,-0.3 0.296 75.3 109.2-112.0 9.6 10.3 -22.7 38.9 30 30 A Q H X S+ 0 0 41 -4,-0.5 4,-4.8 -3,-0.4 5,-0.5 0.851 78.0 60.8 -60.3 -35.0 7.1 -23.6 37.0 31 31 A K H 4 S+ 0 0 125 -3,-0.3 -1,-0.2 -4,-0.2 -2,-0.1 0.969 115.0 30.5 -46.0 -66.8 7.4 -27.1 38.4 32 32 A E H 4 S+ 0 0 102 1,-0.2 -2,-0.2 2,-0.1 -1,-0.2 0.774 122.7 52.1 -70.8 -28.6 7.1 -26.0 42.0 33 33 A L H < S- 0 0 9 -4,-3.2 -2,-0.2 2,-0.2 -1,-0.2 0.938 90.8-152.6 -72.2 -42.4 4.9 -23.1 41.0 34 34 A R S < S+ 0 0 212 -4,-4.8 -32,-0.5 1,-0.3 2,-0.3 0.584 72.1 69.9 74.7 8.8 2.6 -25.4 39.0 35 35 A F E S-a 2 0A 26 -5,-0.5 2,-0.6 -6,-0.2 -1,-0.3 -0.961 82.0-123.7-140.7 163.1 1.8 -22.4 36.9 36 36 A L E -a 3 0A 46 -34,-2.4 -32,-2.5 -2,-0.3 2,-0.4 -0.934 22.9-155.9-108.3 120.6 3.7 -20.5 34.4 37 37 A G E -a 4 0A 3 -2,-0.6 2,-0.4 -34,-0.2 -32,-0.2 -0.731 4.4-164.6 -90.8 139.2 4.1 -16.8 34.9 38 38 A H E -a 5 0A 67 -34,-2.5 -32,-3.0 -2,-0.4 2,-0.4 -0.996 8.3-158.0-123.5 139.9 4.8 -14.4 32.1 39 39 A Y E -a 6 0A 4 -2,-0.4 -32,-0.3 -34,-0.2 -16,-0.1 -0.920 10.9-180.0-131.5 132.2 6.0 -10.9 32.9 40 40 A H E -a 7 0A 91 -34,-1.6 -32,-1.9 -2,-0.4 2,-0.4 -0.941 30.4-113.8-137.1 140.9 5.8 -7.7 30.7 41 41 A P E -a 8 0A 65 0, 0.0 2,-0.6 0, 0.0 -32,-0.2 -0.696 31.2-157.6 -74.9 139.5 6.8 -4.0 30.9 42 42 A I E -a 9 0A 29 -34,-3.4 -32,-1.9 -2,-0.4 2,-0.6 -0.923 10.6-151.5-124.5 105.4 3.8 -1.7 31.0 43 43 A L E -a 10 0A 52 -2,-0.6 -32,-0.2 -34,-0.2 -34,-0.1 -0.656 24.3-159.7 -63.4 112.1 4.1 1.9 30.0 44 44 A L - 0 0 1 -34,-2.2 2,-0.2 -2,-0.6 6,-0.0 -0.941 16.4-123.5-101.8 120.0 1.4 3.4 32.1 45 45 A P > - 0 0 54 0, 0.0 3,-2.7 0, 0.0 -34,-0.0 -0.473 21.5-125.9 -51.8 129.7 -0.0 6.8 31.1 46 46 A L T 3 S+ 0 0 101 1,-0.3 -35,-0.0 -2,-0.2 -2,-0.0 0.788 111.1 59.2 -44.0 -33.8 0.4 9.2 34.1 47 47 A E T 3 S+ 0 0 160 2,-0.1 -1,-0.3 0, 0.0 2,-0.1 0.465 90.9 98.7 -79.6 -5.4 -3.4 9.9 33.8 48 48 A S S < S- 0 0 17 -3,-2.7 2,-0.5 1,-0.0 -4,-0.0 -0.312 74.6-118.7 -87.3 169.0 -4.2 6.2 34.4 49 49 A H > - 0 0 91 1,-0.1 4,-2.6 -2,-0.1 5,-0.2 -0.935 14.5-152.5-107.1 120.7 -5.3 4.3 37.4 50 50 A I H > S+ 0 0 3 -2,-0.5 4,-3.1 2,-0.2 5,-0.2 0.932 95.3 46.4 -57.5 -52.4 -2.9 1.5 38.6 51 51 A K H > S+ 0 0 60 2,-0.2 4,-3.4 1,-0.2 5,-0.3 0.966 113.7 49.5 -58.8 -50.0 -5.6 -0.7 40.3 52 52 A S H > S+ 0 0 68 1,-0.2 4,-2.9 2,-0.2 -1,-0.2 0.889 114.9 44.4 -50.6 -54.1 -7.9 -0.3 37.3 53 53 A E H X S+ 0 0 51 -4,-2.6 4,-2.3 2,-0.2 -1,-0.2 0.867 112.9 51.0 -57.9 -41.8 -5.1 -1.2 34.9 54 54 A F H <>S+ 0 0 0 -4,-3.1 5,-2.1 -5,-0.2 4,-0.3 0.970 116.4 41.0 -61.9 -51.0 -4.0 -4.1 37.1 55 55 A L H ><5S+ 0 0 91 -4,-3.4 3,-1.0 1,-0.2 -2,-0.2 0.902 114.6 52.8 -61.6 -41.1 -7.6 -5.5 37.3 56 56 A H H 3<5S+ 0 0 146 -4,-2.9 -1,-0.2 -5,-0.3 -2,-0.2 0.861 108.9 47.4 -69.7 -36.6 -8.2 -4.8 33.6 57 57 A L T 3<5S- 0 0 74 -4,-2.3 -1,-0.3 -5,-0.1 -2,-0.2 0.464 109.7-123.8 -79.7 -5.5 -5.1 -6.6 32.3 58 58 A G T < 5 + 0 0 47 -3,-1.0 -53,-0.5 -4,-0.3 -3,-0.2 0.881 45.3 177.8 64.1 43.2 -6.0 -9.5 34.5 59 59 A L E < -b 5 0A 10 -5,-2.1 -53,-0.2 -6,-0.2 -1,-0.1 -0.372 30.9-161.1 -77.8 153.8 -2.6 -9.5 36.4 60 60 A S E S- 0 0 31 -55,-3.1 34,-2.4 1,-0.4 2,-0.3 0.651 79.5 -9.8 -96.9 -18.8 -1.8 -11.9 39.2 61 61 A G E -bC 6 93A 0 -56,-1.0 -54,-0.7 32,-0.2 -1,-0.4 -0.964 65.5-176.2-170.8 157.0 1.0 -9.7 40.4 62 62 A A E -bC 7 92A 0 30,-2.4 30,-4.1 -2,-0.3 2,-0.3 -0.977 20.6-128.7-161.2 157.5 3.1 -6.7 39.4 63 63 A N E -bC 8 91A 11 -56,-2.4 -54,-2.8 -2,-0.3 2,-0.4 -0.766 20.0-147.3-101.6 156.7 5.9 -4.4 40.3 64 64 A V E +b 9 0A 2 26,-2.4 2,-0.2 -2,-0.3 -54,-0.2 -0.992 21.2 168.5-125.3 129.3 5.7 -0.6 40.4 65 65 A T > + 0 0 29 -56,-2.8 3,-2.2 -2,-0.4 4,-0.2 -0.547 40.6 5.7-124.5-169.4 8.6 1.7 39.6 66 66 A L T 3 S+ 0 0 62 1,-0.3 -55,-2.1 -2,-0.2 -1,-0.2 -0.241 120.3 3.3 -56.2 140.4 8.9 5.5 39.0 67 67 A P T 3 S+ 0 0 77 0, 0.0 -1,-0.3 0, 0.0 4,-0.2 -0.764 121.2 61.3-109.2 39.2 6.8 7.6 39.3 68 68 A F <> + 0 0 0 -3,-2.2 4,-3.0 -59,-0.2 5,-0.2 0.432 65.4 101.4-106.0 0.2 4.0 5.5 40.7 69 69 A K H > S+ 0 0 17 1,-0.2 20,-1.8 2,-0.2 4,-1.7 0.900 88.8 41.8 -61.7 -46.3 5.2 4.0 43.9 70 70 A E H > S+ 0 0 75 18,-0.2 4,-1.3 1,-0.2 -1,-0.2 0.895 116.0 51.4 -65.7 -37.7 3.4 6.4 46.3 71 71 A R H > S+ 0 0 88 -4,-0.2 4,-1.5 2,-0.2 -2,-0.2 0.896 103.8 57.1 -60.7 -41.8 0.3 6.2 44.1 72 72 A A H >X S+ 0 0 0 -4,-3.0 4,-1.2 1,-0.2 3,-0.6 0.952 105.0 53.3 -56.7 -44.1 0.4 2.4 44.2 73 73 A F H 3< S+ 0 0 46 -4,-1.7 -1,-0.2 1,-0.2 -2,-0.2 0.856 106.5 52.7 -55.5 -41.0 0.2 2.7 48.0 74 74 A Q H 3< S+ 0 0 146 -4,-1.3 -1,-0.2 1,-0.2 -2,-0.2 0.812 112.6 42.1 -63.7 -35.0 -3.0 4.9 47.8 75 75 A V H << S+ 0 0 38 -4,-1.5 -1,-0.2 -3,-0.6 -2,-0.2 0.514 85.1 109.3-105.8 -7.1 -5.0 2.6 45.7 76 76 A C < - 0 0 15 -4,-1.2 24,-0.2 -3,-0.2 3,-0.1 -0.276 64.2-139.6 -55.6 149.6 -4.3 -0.8 47.2 77 77 A D S S+ 0 0 75 22,-2.0 2,-0.3 1,-0.3 23,-0.2 0.856 88.1 11.8 -77.1 -36.8 -7.1 -2.5 49.1 78 78 A K E -d 100 0A 85 21,-1.6 23,-2.3 2,-0.0 2,-0.4 -0.978 66.8-149.6-140.3 143.6 -4.7 -3.7 51.8 79 79 A I E -d 101 0A 38 -2,-0.3 2,-0.4 21,-0.2 23,-0.2 -0.962 19.0-169.5-114.4 137.9 -1.0 -2.9 52.6 80 80 A K > - 0 0 69 21,-2.7 3,-0.6 -2,-0.4 23,-0.4 -0.991 40.5 -7.7-132.7 137.8 1.3 -5.5 54.2 81 81 A G T > S- 0 0 50 -2,-0.4 3,-2.0 1,-0.2 4,-0.3 -0.411 117.7 -14.7 88.8-155.3 4.7 -5.5 55.8 82 82 A I T >> S+ 0 0 51 1,-0.3 3,-1.0 21,-0.2 4,-0.5 0.621 118.8 80.2 -62.1 -12.9 7.2 -2.7 56.0 83 83 A A H X>>S+ 0 0 0 -3,-0.6 4,-1.2 1,-0.2 3,-0.8 0.803 78.5 70.8 -60.1 -30.6 5.2 -0.8 53.2 84 84 A L H <45S+ 0 0 119 -3,-2.0 -1,-0.2 1,-0.3 -2,-0.2 0.879 106.4 38.5 -55.7 -32.8 2.8 0.3 55.9 85 85 A E H <45S+ 0 0 103 -3,-1.0 -1,-0.3 -4,-0.3 -2,-0.2 0.553 111.9 56.2 -90.9 -12.1 5.7 2.5 57.1 86 86 A C H <<5S- 0 0 0 -3,-0.8 -2,-0.2 -4,-0.5 -1,-0.2 0.569 87.8-137.5 -98.2 -13.8 7.2 3.6 53.8 87 87 A G T <5S+ 0 0 9 -4,-1.2 2,-0.3 1,-0.2 -14,-0.2 0.815 76.0 89.9 51.2 31.6 4.1 5.2 52.2 88 88 A A < - 0 0 0 -5,-0.6 2,-0.4 -15,-0.1 -18,-0.2 -0.993 60.0-154.0-152.9 151.1 5.1 3.4 49.0 89 89 A V + 0 0 0 -20,-1.8 14,-0.3 -2,-0.3 -17,-0.2 -0.984 17.8 168.5-126.1 126.7 4.5 0.1 47.2 90 90 A N S S+ 0 0 7 12,-1.6 -26,-2.4 -2,-0.4 2,-0.4 0.575 70.2 55.3-105.8 -6.2 6.8 -1.5 44.8 91 91 A T E -CE 63 102A 0 11,-2.5 11,-3.0 -28,-0.3 2,-0.4 -0.978 60.7-168.5-137.5 129.4 5.1 -4.9 44.7 92 92 A L E +CE 62 101A 0 -30,-4.1 -30,-2.4 -2,-0.4 2,-0.4 -0.899 6.3 178.0-123.5 138.5 1.5 -5.8 44.0 93 93 A V E -CE 61 100A 13 7,-2.3 7,-3.1 -2,-0.4 2,-0.8 -0.993 28.0-131.5-145.9 130.6 -0.3 -9.1 44.5 94 94 A L E - E 0 99A 69 -34,-2.4 2,-0.5 -2,-0.4 5,-0.2 -0.741 31.5-179.8 -82.7 110.0 -3.9 -10.2 43.9 95 95 A E E > - E 0 98A 50 3,-3.5 3,-2.8 -2,-0.8 -2,-0.1 -0.968 65.5 -34.4-119.1 115.6 -5.0 -12.0 47.1 96 96 A N T 3 S- 0 0 167 -2,-0.5 -1,-0.1 1,-0.3 3,-0.1 0.859 125.3 -43.4 37.7 59.5 -8.5 -13.5 47.2 97 97 A D T 3 S+ 0 0 159 1,-0.2 2,-0.4 -3,-0.0 -1,-0.3 0.543 119.2 112.8 66.3 10.5 -9.9 -10.6 45.1 98 98 A E E < - E 0 95A 70 -3,-2.8 -3,-3.5 -21,-0.0 2,-0.9 -0.946 67.4-131.6-110.5 133.2 -7.9 -8.0 47.0 99 99 A L E - 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