==== 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 07-DEC-07 3BKQ . COMPND 2 MOLECULE: PHOSPHOMANNOMUTASE/PHOSPHOGLUCOMUTASE; . SOURCE 2 ORGANISM_SCIENTIFIC: PSEUDOMONAS AERUGINOSA; . AUTHOR R.MEHRA-CHAUDHARY,L.J.BEAMER . 458 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 17040.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 341 74.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 43 9.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 56 12.2 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.4 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 0.9 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 . 35 7.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 49 10.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 135 29.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 7 1.5 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 0 0 1 1 1 1 1 3 1 1 1 1 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 0 1 2 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 PARALLEL BRIDGES PER LADDER . 2 3 2 3 2 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 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 2 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 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 6 X A 0 0 57 0, 0.0 2,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 133.6 -49.6 12.4 1.1 2 7 X P - 0 0 57 0, 0.0 2,-0.9 0, 0.0 0, 0.0 -0.232 360.0 -89.3 -80.0 176.9 -50.9 13.0 4.7 3 8 X T - 0 0 122 -2,-0.0 3,-0.0 131,-0.0 131,-0.0 -0.792 46.9-160.0 -92.4 101.4 -49.1 12.0 7.9 4 9 X L - 0 0 17 -2,-0.9 2,-0.2 126,-0.2 18,-0.1 -0.438 28.7 -95.2 -80.4 154.5 -50.2 8.5 8.8 5 10 X P > - 0 0 48 0, 0.0 3,-0.7 0, 0.0 4,-0.3 -0.529 26.2-144.9 -73.0 133.2 -49.9 7.0 12.3 6 11 X A G > S+ 0 0 55 -2,-0.2 3,-1.1 1,-0.2 124,-0.1 0.726 89.7 74.2 -70.1 -22.5 -46.7 5.0 12.7 7 12 X S G 3 S+ 0 0 93 1,-0.2 -1,-0.2 7,-0.0 8,-0.1 0.851 87.2 61.0 -61.9 -34.3 -48.3 2.4 15.0 8 13 X I G < S+ 0 0 1 -3,-0.7 7,-1.9 13,-0.1 2,-0.9 0.718 86.0 83.4 -67.9 -21.9 -50.2 0.7 12.2 9 14 X F B < +A 14 0A 10 -3,-1.1 5,-0.2 -4,-0.3 2,-0.1 -0.775 69.7 170.5 -85.9 104.9 -47.0 -0.2 10.4 10 15 X R - 0 0 60 3,-1.9 116,-0.1 -2,-0.9 410,-0.1 -0.376 45.6 -87.4-112.5-176.1 -46.0 -3.4 12.2 11 16 X A S S+ 0 0 12 408,-0.6 112,-3.2 1,-0.2 115,-0.2 0.869 118.1 9.0 -63.6 -46.1 -43.4 -6.3 11.9 12 17 X Y S S- 0 0 26 110,-0.2 102,-0.3 407,-0.1 2,-0.3 0.486 132.2 -1.1-116.9 -8.6 -45.3 -8.7 9.6 13 18 X D S S- 0 0 17 100,-0.1 -3,-1.9 -5,-0.0 2,-0.4 -0.890 70.5 -96.7-156.2-175.2 -48.3 -6.7 8.4 14 19 X I E +AB 9 112A 3 98,-2.3 98,-2.7 -2,-0.3 2,-0.3 -0.992 44.8 171.3-114.6 131.0 -50.2 -3.3 8.7 15 20 X R E + B 0 111A 17 -7,-1.9 2,-0.3 -2,-0.4 96,-0.2 -1.000 3.8 151.1-142.0 141.1 -53.1 -3.3 11.2 16 21 X G E - B 0 110A 4 94,-2.6 94,-2.0 -2,-0.3 2,-0.6 -0.975 47.6 -93.4-159.0 169.7 -55.4 -0.6 12.5 17 22 X V E >>> - B 0 109A 36 -2,-0.3 5,-1.8 92,-0.2 3,-1.7 -0.824 50.2-118.2 -94.0 119.6 -58.8 0.2 13.9 18 23 X V B 345S+h 22 0B 35 90,-2.5 5,-0.2 -2,-0.6 3,-0.1 -0.243 95.3 16.2 -63.6 141.2 -61.1 1.4 11.1 19 24 X G T 345S+ 0 0 66 3,-2.8 -1,-0.3 1,-0.2 4,-0.2 0.224 132.6 50.9 83.5 -14.2 -62.5 4.9 11.3 20 25 X D T <45S- 0 0 111 -3,-1.7 -2,-0.2 2,-0.3 -1,-0.2 0.653 131.7 -3.1-116.2 -86.5 -59.8 5.6 13.9 21 26 X T T <5S+ 0 0 35 -4,-1.2 2,-0.4 1,-0.2 -3,-0.2 0.447 135.0 52.2 -92.9 -0.7 -56.2 4.6 13.0 22 27 X L B - 0 0 48 -2,-0.4 4,-2.1 -5,-0.2 5,-0.2 -0.652 58.1 -93.3-123.4 172.6 -59.5 5.3 7.3 24 29 X A H > S+ 0 0 50 -2,-0.2 4,-1.7 1,-0.2 -1,-0.0 0.884 127.2 52.1 -52.5 -42.6 -60.3 5.4 3.6 25 30 X E H > S+ 0 0 53 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.888 107.1 51.9 -61.8 -43.0 -57.4 7.9 3.2 26 31 X T H > S+ 0 0 8 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.906 109.3 49.9 -58.7 -45.6 -54.9 5.6 4.9 27 32 X A H X S+ 0 0 0 -4,-2.1 4,-2.2 2,-0.2 -1,-0.2 0.861 108.5 53.0 -64.9 -38.9 -55.9 2.7 2.7 28 33 X Y H X S+ 0 0 30 -4,-1.7 4,-2.1 2,-0.2 -2,-0.2 0.969 112.1 43.4 -60.7 -55.3 -55.4 4.8 -0.5 29 34 X W H X S+ 0 0 55 -4,-2.2 4,-2.8 1,-0.2 -2,-0.2 0.883 110.8 54.8 -64.6 -40.9 -51.9 5.9 0.4 30 35 X I H X S+ 0 0 2 -4,-2.5 4,-2.5 2,-0.2 -1,-0.2 0.915 109.4 49.6 -51.5 -45.1 -50.9 2.4 1.6 31 36 X G H X S+ 0 0 0 -4,-2.2 4,-2.4 2,-0.2 -2,-0.2 0.883 108.9 51.5 -61.6 -42.1 -52.0 1.3 -1.9 32 37 X R H X S+ 0 0 30 -4,-2.1 4,-2.0 2,-0.2 107,-0.4 0.931 112.2 47.3 -56.0 -47.3 -49.9 4.1 -3.5 33 38 X A H X S+ 0 0 0 -4,-2.8 4,-1.8 1,-0.2 -2,-0.2 0.861 113.1 46.6 -64.5 -43.2 -46.9 2.9 -1.4 34 39 X I H X S+ 0 0 0 -4,-2.5 4,-2.2 2,-0.2 -1,-0.2 0.877 111.8 51.5 -68.6 -38.9 -47.4 -0.8 -2.3 35 40 X G H X S+ 0 0 0 -4,-2.4 4,-2.2 -5,-0.2 -2,-0.2 0.908 110.0 49.3 -61.8 -44.1 -47.9 -0.0 -6.0 36 41 X S H X S+ 0 0 6 -4,-2.0 4,-2.0 1,-0.2 -2,-0.2 0.880 112.9 46.6 -63.3 -44.4 -44.6 2.1 -6.2 37 42 X E H X S+ 0 0 34 -4,-1.8 4,-1.1 2,-0.2 -1,-0.2 0.874 111.6 50.2 -66.6 -38.3 -42.6 -0.6 -4.5 38 43 X S H <>S+ 0 0 0 -4,-2.2 5,-3.3 2,-0.2 -2,-0.2 0.889 111.7 49.1 -66.1 -39.2 -44.0 -3.4 -6.7 39 44 X L H ><5S+ 0 0 58 -4,-2.2 3,-1.6 3,-0.2 -2,-0.2 0.875 106.3 56.5 -65.9 -39.7 -43.2 -1.3 -9.8 40 45 X A H 3<5S+ 0 0 70 -4,-2.0 -1,-0.2 1,-0.3 -2,-0.2 0.761 106.9 50.2 -57.6 -32.3 -39.6 -0.7 -8.5 41 46 X R T 3<5S- 0 0 91 -4,-1.1 -1,-0.3 -3,-0.2 -2,-0.2 0.238 127.8-103.7 -88.6 10.5 -39.2 -4.5 -8.4 42 47 X G T < 5S+ 0 0 62 -3,-1.6 -3,-0.2 1,-0.1 -2,-0.1 0.663 83.2 125.0 79.2 20.5 -40.5 -4.7 -12.0 43 48 X E < + 0 0 27 -5,-3.3 -2,-0.1 -6,-0.1 -1,-0.1 -0.863 23.3 164.6-120.1 97.5 -44.0 -5.9 -11.1 44 49 X P + 0 0 42 0, 0.0 29,-3.2 0, 0.0 2,-0.6 0.647 59.0 85.5 -80.7 -16.0 -47.0 -3.9 -12.5 45 50 X C E +c 73 0A 8 27,-0.2 51,-1.0 -7,-0.1 2,-0.4 -0.806 55.3 176.7 -93.2 123.5 -49.6 -6.7 -11.8 46 51 X V E -cd 74 96A 0 27,-2.4 29,-2.4 -2,-0.6 51,-0.2 -0.965 20.7-147.2-130.3 115.0 -51.1 -6.9 -8.3 47 52 X A E -cd 75 97A 5 49,-2.4 51,-2.2 -2,-0.4 2,-0.4 -0.571 18.3-159.6 -70.8 146.8 -53.8 -9.3 -7.1 48 53 X V E +cd 76 98A 0 27,-2.7 29,-2.5 49,-0.2 30,-0.5 -0.993 15.2 168.7-133.0 125.6 -56.1 -7.7 -4.4 49 54 X G E - d 0 99A 0 49,-2.4 51,-2.7 -2,-0.4 2,-0.3 -0.864 12.5-161.9-131.5 161.7 -58.3 -9.7 -2.0 50 55 X R E -cd 79 100A 57 28,-1.6 30,-2.0 -2,-0.3 51,-0.2 -0.978 14.3-130.2-142.6 154.9 -60.3 -8.9 1.2 51 56 X D - 0 0 3 49,-1.8 188,-0.1 -2,-0.3 152,-0.1 -0.113 42.9 -85.2 -90.4-166.8 -61.8 -10.9 4.0 52 57 X G S S+ 0 0 13 186,-0.3 2,-0.2 4,-0.1 151,-0.1 -0.079 76.4 133.6 -96.2 34.6 -65.4 -10.8 5.4 53 58 X R > - 0 0 3 1,-0.1 3,-2.2 149,-0.1 151,-0.1 -0.590 68.2-114.7 -85.5 151.3 -65.0 -7.9 7.8 54 59 X L T 3 S+ 0 0 96 149,-0.4 4,-0.3 53,-0.3 -1,-0.1 0.767 115.9 50.3 -54.4 -30.5 -67.6 -5.1 7.7 55 60 X S T 3> S+ 0 0 21 52,-0.3 4,-2.4 54,-0.2 5,-0.3 0.497 86.1 94.9 -88.3 -4.6 -65.1 -2.5 6.4 56 61 X G H <> S+ 0 0 0 -3,-2.2 4,-2.5 1,-0.2 5,-0.3 0.930 79.9 47.5 -53.5 -64.5 -63.9 -4.8 3.6 57 62 X P H > S+ 0 0 73 0, 0.0 4,-0.6 0, 0.0 -1,-0.2 0.800 119.2 40.4 -49.4 -42.3 -66.1 -3.6 0.6 58 63 X E H >> S+ 0 0 70 -4,-0.3 4,-0.7 2,-0.2 3,-0.6 0.961 117.9 42.6 -73.8 -57.2 -65.5 0.1 1.3 59 64 X L H >X S+ 0 0 8 -4,-2.4 4,-1.9 1,-0.2 3,-0.6 0.810 105.4 62.5 -65.2 -37.1 -61.7 0.1 2.2 60 65 X V H 3X S+ 0 0 3 -4,-2.5 4,-2.9 -5,-0.3 -1,-0.2 0.862 96.5 60.4 -59.2 -34.8 -60.7 -2.3 -0.5 61 66 X K H <>S+ 0 0 0 -4,-1.9 5,-1.9 1,-0.2 3,-1.1 0.866 112.0 51.7 -66.1 -41.3 -52.6 0.9 -6.8 68 73 X V H ><5S+ 0 0 18 -4,-2.6 75,-2.2 1,-0.2 3,-1.3 0.857 102.7 60.5 -62.7 -34.7 -54.4 2.0 -10.0 69 74 X D T 3<5S+ 0 0 49 -4,-2.2 72,-1.7 1,-0.3 -1,-0.2 0.475 99.9 56.1 -78.3 -4.6 -53.0 5.6 -9.4 70 75 X C B < 5S-i 141 0C 5 -3,-1.1 70,-0.3 70,-0.3 -1,-0.3 0.595 124.9-102.7 -87.5 -18.6 -49.4 4.1 -9.7 71 76 X G T < 5S+ 0 0 22 -3,-1.3 -3,-0.2 70,-0.6 71,-0.2 0.479 70.8 155.4 99.2 9.7 -50.2 2.7 -13.1 72 77 X C < - 0 0 0 -5,-1.9 72,-2.1 69,-0.1 2,-0.8 -0.415 47.4-127.5 -73.2 148.7 -50.6 -0.9 -11.7 73 78 X Q E -ce 45 144A 84 -29,-3.2 -27,-2.4 70,-0.2 2,-0.4 -0.839 33.0-156.4 -90.6 105.8 -52.7 -3.6 -13.3 74 79 X V E -ce 46 145A 1 70,-3.3 72,-2.6 -2,-0.8 2,-0.6 -0.707 14.7-159.7 -93.0 134.9 -55.0 -4.8 -10.5 75 80 X S E -ce 47 146A 16 -29,-2.4 -27,-2.7 -2,-0.4 2,-0.8 -0.956 15.3-155.1-107.1 106.4 -56.6 -8.2 -10.4 76 81 X D E +ce 48 147A 20 70,-2.7 72,-2.5 -2,-0.6 -27,-0.2 -0.772 17.7 177.2 -87.1 109.3 -59.6 -7.9 -8.0 77 82 X V E - 0 0 11 -29,-2.5 73,-0.2 -2,-0.8 74,-0.2 0.309 29.8-146.1 -98.0 10.5 -60.4 -11.3 -6.6 78 83 X G E - 0 0 15 -30,-0.5 -28,-1.6 -29,-0.1 2,-0.7 -0.293 58.0 -4.6 71.2-147.0 -63.2 -10.0 -4.3 79 84 X M E S+c 50 0A 69 -30,-0.2 -28,-0.2 -27,-0.0 -27,-0.1 -0.749 83.6 140.2 -90.8 111.6 -63.8 -11.6 -0.9 80 85 X V - 0 0 6 -30,-2.0 2,-0.1 -2,-0.7 98,-0.1 -0.934 55.2 -85.8-141.2 162.8 -61.5 -14.6 -0.4 81 86 X P >> - 0 0 0 0, 0.0 3,-1.6 0, 0.0 4,-1.5 -0.434 47.2-106.9 -62.7 148.8 -59.5 -16.2 2.4 82 87 X T H >> S+ 0 0 0 157,-2.1 4,-2.1 1,-0.3 3,-0.6 0.877 119.8 51.5 -41.1 -54.7 -55.9 -14.9 2.9 83 88 X P H 3> S+ 0 0 0 0, 0.0 4,-1.6 0, 0.0 -1,-0.3 0.711 103.2 58.8 -64.2 -18.8 -54.3 -18.0 1.3 84 89 X V H <> S+ 0 0 0 -3,-1.6 4,-2.4 2,-0.2 -2,-0.2 0.835 107.0 48.3 -76.1 -32.7 -56.5 -17.8 -1.7 85 90 X L H X S+ 0 0 0 -4,-1.6 4,-2.1 -5,-0.2 3,-2.1 0.907 105.7 54.7 -66.8 -46.3 -52.5 -18.4 -4.4 88 93 X A H 3X S+ 0 0 0 -4,-2.4 4,-2.4 1,-0.3 3,-0.2 0.949 105.9 52.5 -47.2 -51.5 -53.7 -15.6 -6.7 89 94 X A H 3< S+ 0 0 4 -4,-2.4 -1,-0.3 1,-0.2 -2,-0.2 0.349 113.4 46.3 -71.6 8.3 -50.2 -14.0 -6.5 90 95 X N H <4 S+ 0 0 54 -3,-2.1 -2,-0.2 -5,-0.1 -1,-0.2 0.646 122.1 28.9-113.5 -32.4 -48.7 -17.4 -7.4 91 96 X V H < S+ 0 0 31 -4,-2.1 -2,-0.2 -3,-0.2 -3,-0.2 0.615 104.7 80.4-108.3 -17.2 -50.9 -18.5 -10.5 92 97 X L S < S- 0 0 27 -4,-2.4 -45,-0.0 -5,-0.4 -47,-0.0 -0.245 97.7 -92.2 -82.3 178.4 -51.9 -15.2 -11.9 93 98 X E S S+ 0 0 151 2,-0.0 2,-0.2 -47,-0.0 -48,-0.1 0.928 106.9 55.9 -58.4 -49.1 -49.7 -13.0 -14.2 94 99 X G - 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