==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ISOMERASE 29-JUN-07 2QH5 . COMPND 2 MOLECULE: MANNOSE-6-PHOSPHATE ISOMERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: HELICOBACTER PYLORI; . AUTHOR Y.PATSKOVSKY,U.RAMAGOPAL,R.TORO,J.M.SAUDER,M.DICKEY,M.IIZUKA . 509 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 25056.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 376 73.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 62 12.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 59 11.6 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 . 3 0.6 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 . 58 11.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 37 7.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 135 26.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 1.0 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 1 0 2 0 0 7 2 1 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 1 0 1 4 2 2 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 . 5 0 4 5 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 0 0 0 0 0 0 2 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 L 0 0 142 0, 0.0 2,-0.2 0, 0.0 90,-0.1 0.000 360.0 360.0 360.0 127.3 -22.2 9.1 2.0 2 2 A K - 0 0 85 36,-0.0 90,-2.5 35,-0.0 2,-0.5 -0.495 360.0-148.5 -75.5 145.4 -21.8 7.0 -1.2 3 3 A I E -a 92 0A 29 88,-0.2 35,-2.9 -2,-0.2 36,-1.5 -0.974 11.7-164.0-123.2 122.5 -18.6 4.9 -1.5 4 4 A K E -ab 93 39A 16 88,-3.3 90,-3.5 -2,-0.5 2,-0.6 -0.856 13.5-145.4-109.0 133.8 -17.1 4.2 -5.0 5 5 A N E -ab 94 40A 0 34,-2.7 36,-3.0 -2,-0.4 2,-0.8 -0.866 10.6-159.9 -90.4 121.4 -14.6 1.6 -6.0 6 6 A I E -ab 95 41A 0 88,-3.0 90,-2.5 -2,-0.6 2,-0.9 -0.878 9.9-164.2-101.5 100.5 -12.3 3.0 -8.7 7 7 A L E -ab 96 42A 0 34,-2.2 36,-2.4 -2,-0.8 2,-0.8 -0.740 5.3-154.1 -93.2 100.8 -10.9 -0.2 -10.2 8 8 A L E +ab 97 43A 21 88,-1.3 90,-2.0 -2,-0.9 91,-0.3 -0.681 36.6 143.9 -83.5 111.0 -7.8 0.7 -12.3 9 9 A S 0 0 6 34,-3.1 35,-0.3 -2,-0.8 -1,-0.2 0.641 360.0 360.0-113.8 -28.0 -7.2 -1.8 -15.1 10 10 A G 0 0 58 33,-2.0 34,-0.1 34,-0.1 63,-0.1 0.995 360.0 360.0 -59.6 360.0 -6.0 0.5 -17.9 11 ! 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 12 24 A Y 0 0 201 0, 0.0 5,-0.1 0, 0.0 4,-0.0 0.000 360.0 360.0 360.0 79.3 -3.9 -9.7 -23.9 13 25 A P > - 0 0 36 0, 0.0 3,-1.4 0, 0.0 4,-0.3 -0.079 360.0-109.5 -67.2 161.3 -2.6 -8.1 -20.7 14 26 A K G > S+ 0 0 183 1,-0.3 3,-1.3 2,-0.2 11,-0.3 0.759 106.4 63.5 -64.3 -36.0 -1.5 -10.0 -17.6 15 27 A Q G 3 S+ 0 0 26 1,-0.2 11,-2.3 -6,-0.1 -1,-0.3 0.454 97.2 59.9 -74.0 0.0 -4.3 -9.1 -15.1 16 28 A F G < S+ 0 0 2 -3,-1.4 2,-0.3 9,-0.1 -1,-0.2 0.549 73.8 112.5-102.7 -9.7 -7.0 -10.9 -17.2 17 29 A L X - 0 0 74 -3,-1.3 2,-1.4 -4,-0.3 3,-0.5 -0.506 63.9-141.4 -72.9 125.3 -5.5 -14.4 -17.2 18 30 A K T 3 + 0 0 107 -2,-0.3 4,-0.5 1,-0.2 6,-0.2 -0.131 62.9 122.0 -82.1 43.1 -7.7 -16.8 -15.2 19 31 A L T 3 + 0 0 134 -2,-1.4 2,-1.9 3,-0.2 3,-0.4 0.826 43.9 84.2 -78.8 -35.7 -4.6 -18.6 -13.7 20 32 A F B X S-L 23 0B 98 3,-1.3 3,-0.9 -3,-0.5 -1,-0.2 -0.494 128.0 -46.4 -77.8 81.9 -5.3 -18.2 -10.0 21 33 A D T 3 S- 0 0 137 -2,-1.9 -1,-0.3 1,-0.2 -2,-0.1 0.982 115.3 -44.1 50.2 69.6 -7.6 -21.1 -9.4 22 34 A H T 3 S+ 0 0 155 -4,-0.5 2,-0.3 -3,-0.4 -1,-0.2 0.310 125.8 99.1 65.3 -6.6 -9.9 -20.5 -12.5 23 35 A K B < -L 20 0B 58 -3,-0.9 -3,-1.3 -6,-0.1 2,-0.2 -0.784 64.3-134.8-116.8 153.3 -9.9 -16.8 -11.5 24 36 A S > - 0 0 0 -2,-0.3 4,-2.2 -6,-0.2 5,-0.2 -0.624 26.4-115.1-100.9 160.3 -8.0 -13.7 -12.7 25 37 A L H > S+ 0 0 24 -8,-0.5 4,-3.2 -11,-0.3 5,-0.2 0.915 116.9 56.2 -55.8 -45.1 -6.4 -10.9 -10.7 26 38 A F H > S+ 0 0 0 -11,-2.3 4,-2.1 1,-0.2 -1,-0.2 0.912 110.5 40.9 -52.5 -53.3 -9.0 -8.5 -12.2 27 39 A E H > S+ 0 0 10 -12,-0.3 4,-2.4 2,-0.2 -1,-0.2 0.799 114.9 53.0 -72.6 -26.9 -12.0 -10.5 -11.0 28 40 A L H X S+ 0 0 43 -4,-2.2 4,-2.3 2,-0.2 -2,-0.2 0.940 112.1 45.0 -66.0 -48.8 -10.3 -11.1 -7.6 29 41 A S H X S+ 0 0 0 -4,-3.2 4,-1.2 69,-0.4 -2,-0.2 0.833 114.8 50.0 -62.2 -36.2 -9.7 -7.4 -7.2 30 42 A F H X S+ 0 0 1 -4,-2.1 4,-1.9 -5,-0.2 3,-0.3 0.965 112.7 44.8 -64.7 -53.1 -13.3 -6.7 -8.4 31 43 A K H X S+ 0 0 104 -4,-2.4 4,-0.9 1,-0.2 -2,-0.2 0.865 109.0 56.4 -61.1 -43.3 -14.9 -9.2 -5.9 32 44 A R H < S+ 0 0 10 -4,-2.3 -1,-0.2 1,-0.2 4,-0.2 0.844 117.6 32.4 -61.7 -37.7 -12.8 -8.1 -2.9 33 45 A N H >< S+ 0 0 1 -4,-1.2 3,-0.9 -3,-0.3 4,-0.4 0.677 102.7 74.0 -92.7 -21.4 -13.8 -4.4 -3.2 34 46 A A H >< S+ 0 0 11 -4,-1.9 3,-0.7 1,-0.3 -2,-0.2 0.820 94.4 55.0 -64.3 -30.3 -17.4 -4.8 -4.5 35 47 A S T 3< S+ 0 0 86 -4,-0.9 -1,-0.3 1,-0.2 -2,-0.1 0.722 109.8 45.9 -71.6 -26.8 -18.6 -6.0 -1.1 36 48 A L T < S+ 0 0 33 -3,-0.9 2,-0.3 -4,-0.2 -1,-0.2 0.421 110.0 66.9 -95.7 -1.2 -17.3 -2.9 0.7 37 49 A V < - 0 0 17 -3,-0.7 -33,-0.2 -4,-0.4 3,-0.1 -0.778 63.7-143.8-133.4 159.0 -18.6 -0.4 -1.8 38 50 A D S S+ 0 0 92 -35,-2.9 26,-0.5 1,-0.3 2,-0.3 0.810 88.6 8.9 -90.4 -38.5 -21.8 1.1 -3.3 39 51 A E E -bc 4 64A 54 -36,-1.5 -34,-2.7 24,-0.1 2,-0.4 -0.992 65.3-144.5-140.2 144.6 -20.8 1.5 -7.0 40 52 A T E -bc 5 65A 8 24,-1.5 26,-2.1 -2,-0.3 2,-0.5 -0.899 5.8-165.4-106.8 142.8 -17.8 0.3 -9.0 41 53 A L E -bc 6 66A 14 -36,-3.0 -34,-2.2 -2,-0.4 2,-0.5 -0.971 11.1-160.4-121.3 112.6 -16.2 2.4 -11.8 42 54 A I E -bc 7 67A 0 24,-2.8 26,-3.1 -2,-0.5 2,-0.6 -0.823 1.6-163.1 -92.9 123.3 -13.9 0.2 -13.8 43 55 A V E +bc 8 68A 1 -36,-2.4 -34,-3.1 -2,-0.5 -33,-2.0 -0.949 29.3 139.9-110.4 115.1 -11.4 2.1 -15.9 44 56 A C E - c 0 69A 1 24,-1.7 26,-2.3 -2,-0.6 2,-0.1 -0.904 56.0 -75.5-142.8 169.5 -9.8 0.1 -18.7 45 57 A N E > - c 0 70A 21 -2,-0.3 3,-1.1 24,-0.2 4,-0.4 -0.469 39.5-125.8 -65.7 142.0 -8.6 0.2 -22.3 46 58 A E G > S+ 0 0 71 24,-2.8 3,-0.7 1,-0.3 4,-0.3 0.762 109.0 65.8 -64.4 -25.0 -11.5 0.1 -24.8 47 59 A K G 3 S+ 0 0 170 23,-0.4 -1,-0.3 1,-0.2 3,-0.2 0.852 107.9 39.3 -58.5 -36.9 -9.7 -2.9 -26.4 48 60 A H G <> S+ 0 0 37 -3,-1.1 4,-3.0 1,-0.2 5,-0.2 0.350 81.8 107.3-101.7 5.1 -10.4 -5.0 -23.3 49 61 A Y H <> S+ 0 0 1 -3,-0.7 4,-3.0 -4,-0.4 5,-0.2 0.927 85.9 41.2 -47.5 -57.2 -13.9 -3.8 -22.4 50 62 A F H > S+ 0 0 114 -4,-0.3 4,-1.4 1,-0.2 -1,-0.2 0.777 113.5 54.1 -69.5 -28.4 -15.6 -7.0 -23.4 51 63 A L H > S+ 0 0 25 -4,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.938 113.1 43.3 -62.7 -49.7 -12.8 -9.1 -21.9 52 64 A A H X S+ 0 0 0 -4,-3.0 4,-0.9 1,-0.2 3,-0.3 0.930 113.1 50.8 -60.4 -48.9 -13.3 -7.3 -18.6 53 65 A L H < S+ 0 0 24 -4,-3.0 3,-0.3 -5,-0.2 -1,-0.2 0.811 108.3 54.4 -62.7 -32.0 -17.1 -7.4 -18.8 54 66 A E H >< S+ 0 0 142 -4,-1.4 3,-1.1 -5,-0.2 4,-0.3 0.875 104.7 52.8 -67.7 -39.4 -16.9 -11.2 -19.5 55 67 A E H 3< S+ 0 0 10 -4,-1.5 -1,-0.2 -3,-0.3 -2,-0.2 0.634 113.2 42.2 -77.8 -15.7 -14.9 -11.9 -16.4 56 68 A I T 3X S+ 0 0 0 -4,-0.9 4,-1.1 -3,-0.3 -1,-0.3 0.005 79.3 105.9-117.9 26.8 -17.2 -10.2 -13.9 57 69 A K T <4 S+ 0 0 127 -3,-1.1 3,-0.2 1,-0.2 -2,-0.1 0.869 85.0 46.7 -71.3 -37.1 -20.5 -11.5 -15.4 58 70 A N T 4 S+ 0 0 144 -4,-0.3 -1,-0.2 1,-0.2 -2,-0.1 0.823 109.6 56.0 -66.4 -34.1 -20.9 -13.9 -12.4 59 71 A E T 4 S+ 0 0 27 1,-0.1 2,-1.8 -4,-0.1 -2,-0.2 0.702 78.5 91.9 -81.8 -24.6 -20.0 -11.1 -9.9 60 72 A I < + 0 0 34 -4,-1.1 2,-0.8 -3,-0.2 -1,-0.1 -0.538 45.8 159.8 -75.6 83.5 -22.7 -8.5 -10.8 61 73 A K S S- 0 0 157 -2,-1.8 3,-0.1 1,-0.1 -1,-0.1 -0.855 86.0 -37.5-107.2 93.3 -25.4 -9.5 -8.4 62 74 A N S S+ 0 0 177 -2,-0.8 2,-0.2 1,-0.2 -1,-0.1 0.550 103.8 150.3 62.8 12.0 -27.6 -6.4 -8.2 63 75 A K - 0 0 92 -4,-0.1 2,-1.0 1,-0.1 -1,-0.2 -0.478 50.5-132.6 -76.3 141.2 -24.3 -4.4 -8.3 64 76 A S E +c 39 0A 68 -26,-0.5 -24,-1.5 -2,-0.2 2,-0.4 -0.777 39.2 174.3 -94.4 92.1 -24.2 -0.9 -9.9 65 77 A V E +c 40 0A 13 -2,-1.0 2,-0.3 -26,-0.2 150,-0.3 -0.838 9.4 178.2-109.3 134.2 -21.2 -1.2 -12.2 66 78 A G E -c 41 0A 20 -26,-2.1 -24,-2.8 -2,-0.4 2,-0.4 -0.874 14.2-141.7-128.8 162.7 -19.9 1.4 -14.7 67 79 A F E -cd 42 216A 4 148,-0.9 150,-0.9 -2,-0.3 2,-0.5 -0.944 8.4-161.4-125.3 146.3 -16.9 1.6 -17.1 68 80 A L E -cd 43 217A 0 -26,-3.1 -24,-1.7 -2,-0.4 2,-0.3 -0.962 24.5-154.8-121.8 112.2 -14.6 4.3 -18.2 69 81 A L E -cd 44 218A 10 148,-2.9 150,-0.9 -2,-0.5 2,-0.5 -0.649 2.6-149.7 -92.7 138.3 -13.0 3.2 -21.4 70 82 A E E -cd 45 219A 5 -26,-2.3 -24,-2.8 -2,-0.3 -23,-0.4 -0.909 22.2-176.0-113.4 132.4 -9.7 4.5 -22.6 71 83 A S S S+ 0 0 15 148,-0.5 2,-0.3 -2,-0.5 -1,-0.2 0.923 89.5 13.7 -73.4 -61.7 -8.4 5.0 -26.1 72 84 A L S S- 0 0 48 147,-0.2 2,-0.6 148,-0.1 -1,-0.3 -0.785 79.1-128.7-108.6 157.7 -5.0 6.1 -24.7 73 85 A S + 0 0 50 -2,-0.3 3,-0.1 -3,-0.1 156,-0.0 -0.933 21.3 179.0-108.8 114.3 -3.6 5.7 -21.2 74 86 A K - 0 0 44 -2,-0.6 156,-1.1 1,-0.3 4,-0.6 -0.178 53.0-100.6-106.0 38.3 -2.2 8.9 -19.7 75 87 A N >> - 0 0 66 154,-0.2 4,-1.8 1,-0.1 3,-0.7 0.225 47.3 -57.5 71.7 174.0 -1.3 7.3 -16.3 76 88 A T H 3> S+ 0 0 42 1,-0.2 4,-3.1 2,-0.2 5,-0.3 0.813 123.6 61.0 -63.3 -38.3 -3.0 7.1 -12.9 77 89 A A H 3> S+ 0 0 0 153,-1.3 4,-2.0 1,-0.2 -1,-0.2 0.879 112.9 40.4 -56.8 -37.9 -3.1 10.9 -12.1 78 90 A N H <> S+ 0 0 2 -3,-0.7 4,-2.0 152,-0.6 -1,-0.2 0.863 114.9 50.3 -78.7 -38.0 -5.4 11.3 -15.1 79 91 A A H X S+ 0 0 6 -4,-1.8 4,-1.9 2,-0.2 -2,-0.2 0.893 115.6 43.9 -68.3 -37.9 -7.4 8.2 -14.6 80 92 A I H X S+ 0 0 1 -4,-3.1 4,-2.3 2,-0.2 5,-0.2 0.936 112.8 49.7 -72.0 -48.4 -8.0 9.1 -11.0 81 93 A A H X S+ 0 0 0 -4,-2.0 4,-1.8 -5,-0.3 -2,-0.2 0.875 112.1 49.5 -57.5 -39.4 -8.8 12.8 -11.7 82 94 A L H X S+ 0 0 0 -4,-2.0 4,-1.5 2,-0.2 -1,-0.2 0.944 110.5 49.8 -64.3 -48.9 -11.3 11.8 -14.4 83 95 A S H < S+ 0 0 0 -4,-1.9 -2,-0.2 1,-0.2 -1,-0.2 0.833 110.5 50.6 -55.5 -40.1 -13.0 9.2 -12.0 84 96 A A H >< S+ 0 0 1 -4,-2.3 3,-1.4 1,-0.2 -1,-0.2 0.859 107.8 52.4 -67.7 -37.6 -13.3 11.9 -9.4 85 97 A L H 3< S+ 0 0 41 -4,-1.8 -2,-0.2 1,-0.3 -1,-0.2 0.763 104.7 56.7 -70.2 -25.2 -14.9 14.3 -11.9 86 98 A M T 3< S+ 0 0 44 -4,-1.5 -1,-0.3 -5,-0.1 2,-0.2 0.262 106.4 73.1 -82.5 10.2 -17.4 11.5 -12.7 87 99 A S S < S- 0 0 19 -3,-1.4 2,-0.4 -5,-0.1 -3,-0.0 -0.758 92.0 -96.0-122.2 165.2 -18.3 11.5 -9.0 88 100 A D > - 0 0 87 -2,-0.2 3,-1.5 1,-0.1 93,-0.4 -0.691 36.7-126.8 -74.0 132.9 -20.1 13.6 -6.4 89 101 A K T 3 S+ 0 0 121 -2,-0.4 93,-2.8 1,-0.3 94,-0.3 0.864 107.7 52.3 -43.9 -42.8 -17.6 15.8 -4.6 90 102 A E T 3 S+ 0 0 119 91,-0.2 -1,-0.3 90,-0.1 2,-0.1 0.633 89.5 94.9 -76.5 -17.5 -18.9 14.4 -1.3 91 103 A D S < S- 0 0 3 -3,-1.5 90,-2.2 -90,-0.1 2,-0.4 -0.391 74.4-114.9 -85.4 159.2 -18.6 10.7 -2.0 92 104 A L E -aE 3 180A 5 -90,-2.5 -88,-3.3 88,-0.2 2,-0.5 -0.743 20.9-148.5-102.1 139.5 -15.7 8.6 -1.0 93 105 A L E -aE 4 179A 0 86,-2.9 86,-1.6 -2,-0.4 2,-0.7 -0.899 8.8-166.6-113.3 124.9 -13.3 6.9 -3.5 94 106 A I E -aE 5 178A 2 -90,-3.5 -88,-3.0 -2,-0.5 2,-0.6 -0.943 17.1-160.5-108.1 106.6 -11.6 3.6 -2.9 95 107 A V E +aE 6 177A 0 82,-3.4 82,-2.1 -2,-0.7 -88,-0.2 -0.810 16.0 173.2 -98.5 115.4 -8.9 3.5 -5.7 96 108 A T E -a 7 0A 1 -90,-2.5 -88,-1.3 -2,-0.6 80,-0.1 -0.958 27.9-135.7-134.1 113.2 -7.6 -0.1 -6.3 97 109 A P E -a 8 0A 19 0, 0.0 3,-0.4 0, 0.0 -88,-0.2 -0.352 17.3-137.7 -62.7 149.2 -5.3 -1.4 -9.0 98 110 A S S S+ 0 0 1 -90,-2.0 2,-0.5 1,-0.2 -69,-0.4 0.700 90.7 73.5 -87.1 -21.7 -6.5 -4.7 -10.5 99 111 A D S S+ 0 0 64 -91,-0.3 2,-0.4 -70,-0.1 -1,-0.2 -0.129 75.8 118.0 -85.8 38.4 -3.2 -6.5 -10.7 100 112 A H - 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