==== 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 04-JAN-06 2FKM . COMPND 2 MOLECULE: PHOSPHOMANNOMUTASE/PHOSPHOGLUCOMUTASE; . SOURCE 2 ORGANISM_SCIENTIFIC: PSEUDOMONAS AERUGINOSA; . AUTHOR C.A.REGNI,L.J.BEAMER . 454 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 16615.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 338 74.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 44 9.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 55 12.1 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 . 29 6.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 51 11.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 133 29.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 9 2.0 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 0 0 1 1 1 1 2 2 1 2 0 1 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 0 1 2 3 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 PARALLEL BRIDGES PER LADDER . 2 3 2 4 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 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 10 X P > 0 0 85 0, 0.0 3,-1.2 0, 0.0 4,-0.3 0.000 360.0 360.0 360.0 118.6 24.7 66.2 34.6 2 11 X A G > + 0 0 54 1,-0.3 3,-1.5 2,-0.2 124,-0.1 0.719 360.0 80.2 -70.0 -20.9 22.4 63.2 34.5 3 12 X S G 3 S+ 0 0 92 1,-0.3 -1,-0.3 7,-0.0 8,-0.1 0.718 87.1 56.5 -58.5 -24.1 20.1 64.9 37.0 4 13 X I G < S+ 0 0 4 -3,-1.2 7,-2.0 13,-0.1 2,-1.0 0.652 86.8 84.9 -84.0 -14.4 18.6 67.0 34.2 5 14 X F B < S+A 10 0A 17 -3,-1.5 5,-0.2 -4,-0.3 2,-0.1 -0.781 70.8 179.2 -89.3 101.0 17.5 63.9 32.3 6 15 X R - 0 0 54 3,-2.1 116,-0.1 -2,-1.0 113,-0.1 -0.346 41.9 -98.0-103.4 177.4 14.2 63.2 33.9 7 16 X A S S+ 0 0 15 408,-0.7 112,-3.2 1,-0.2 115,-0.2 0.914 119.2 22.0 -64.2 -43.6 11.5 60.6 33.6 8 17 X Y S S- 0 0 24 407,-0.2 2,-0.2 110,-0.2 -1,-0.2 0.605 132.7 -29.5-101.3 -16.7 9.1 62.7 31.4 9 18 X D S S- 0 0 4 100,-0.1 -3,-2.1 -5,-0.1 2,-0.4 -0.865 73.3 -71.8-169.7-167.4 11.5 65.3 30.0 10 19 X I E +AB 5 108A 0 98,-2.0 98,-2.0 -2,-0.2 2,-0.3 -0.973 46.8 172.1-112.0 137.2 14.7 67.3 30.5 11 20 X R E + B 0 107A 21 -7,-2.0 2,-0.3 -2,-0.4 96,-0.2 -0.967 6.1 152.5-149.4 129.1 14.6 70.1 33.1 12 21 X G E - B 0 106A 4 94,-2.9 94,-2.5 -2,-0.3 2,-0.6 -0.934 46.9 -95.7-150.2 167.9 17.5 72.2 34.4 13 22 X V E > > - B 0 105A 25 -2,-0.3 5,-2.3 92,-0.2 3,-0.6 -0.845 49.2-114.1 -93.9 119.2 18.5 75.5 35.9 14 23 X V B 3 5S+h 18 0B 49 90,-3.1 5,-0.2 -2,-0.6 2,-0.2 -0.297 99.2 9.0 -61.2 121.8 19.8 77.9 33.2 15 24 X G T 3 5S+ 0 0 53 3,-3.5 -1,-0.3 1,-0.2 4,-0.1 -0.363 130.1 54.8 102.9 -51.0 23.5 78.5 33.7 16 25 X D T < 5S- 0 0 79 -3,-0.6 -1,-0.2 -2,-0.2 -2,-0.1 0.935 130.6 -3.8 -76.0 -87.4 23.9 75.9 36.5 17 26 X T T 5S+ 0 0 54 -4,-0.4 2,-0.5 1,-0.2 -3,-0.2 0.627 136.6 50.3 -87.8 -16.9 22.8 72.5 35.3 18 27 X L B - 0 0 49 -2,-0.5 4,-2.0 -5,-0.2 5,-0.2 -0.657 50.2-103.5-110.7 169.3 24.0 75.8 29.9 20 29 X A H > S+ 0 0 47 -2,-0.2 4,-1.8 1,-0.2 -1,-0.1 0.901 121.9 53.7 -56.3 -43.8 24.1 77.0 26.3 21 30 X E H > S+ 0 0 60 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.881 109.1 47.7 -61.2 -41.0 26.7 74.3 25.5 22 31 X T H > S+ 0 0 45 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.848 106.7 56.7 -69.8 -36.0 24.5 71.5 26.9 23 32 X A H X S+ 0 0 0 -4,-2.0 4,-1.9 2,-0.2 -2,-0.2 0.896 107.1 51.3 -61.2 -38.5 21.4 72.8 25.0 24 33 X Y H X S+ 0 0 31 -4,-1.8 4,-2.2 2,-0.2 -2,-0.2 0.945 111.5 44.6 -60.2 -51.6 23.5 72.4 21.8 25 34 X W H X S+ 0 0 98 -4,-1.8 4,-2.4 2,-0.2 -2,-0.2 0.828 110.0 55.7 -68.8 -30.0 24.5 68.8 22.6 26 35 X I H X S+ 0 0 2 -4,-2.3 4,-2.8 2,-0.2 -1,-0.2 0.907 107.9 50.5 -64.3 -41.3 21.0 68.0 23.6 27 36 X G H X S+ 0 0 0 -4,-1.9 4,-2.8 2,-0.2 -2,-0.2 0.902 110.3 47.8 -60.4 -44.7 20.0 69.2 20.1 28 37 X R H X S+ 0 0 27 -4,-2.2 4,-2.3 2,-0.2 107,-0.4 0.890 112.9 50.0 -61.8 -39.3 22.6 67.0 18.5 29 38 X A H X S+ 0 0 0 -4,-2.4 4,-2.1 2,-0.2 -2,-0.2 0.923 114.6 43.0 -66.4 -45.3 21.4 64.0 20.6 30 39 X I H X S+ 0 0 0 -4,-2.8 4,-3.1 2,-0.2 -2,-0.2 0.917 114.7 49.7 -66.2 -45.7 17.8 64.6 19.6 31 40 X G H X S+ 0 0 0 -4,-2.8 4,-2.2 1,-0.2 -2,-0.2 0.890 112.0 48.9 -60.3 -40.7 18.6 65.3 16.0 32 41 X S H X S+ 0 0 3 -4,-2.3 4,-1.8 2,-0.2 -1,-0.2 0.881 112.5 47.6 -65.8 -41.2 20.7 62.1 15.9 33 42 X E H X S+ 0 0 29 -4,-2.1 4,-1.2 2,-0.2 -2,-0.2 0.916 110.6 52.3 -66.4 -44.9 17.9 60.1 17.5 34 43 X S H ><>S+ 0 0 0 -4,-3.1 5,-2.5 1,-0.2 3,-0.7 0.935 110.3 47.6 -55.7 -45.8 15.4 61.6 15.0 35 44 X L H ><5S+ 0 0 57 -4,-2.2 3,-1.9 1,-0.3 -1,-0.2 0.854 105.3 59.3 -67.3 -35.2 17.5 60.6 12.0 36 45 X A H 3<5S+ 0 0 69 -4,-1.8 -1,-0.3 1,-0.3 -2,-0.2 0.758 106.8 48.3 -62.0 -29.6 18.0 57.1 13.4 37 46 X R T <<5S- 0 0 82 -4,-1.2 -1,-0.3 -3,-0.7 -2,-0.2 0.183 126.0-105.6 -92.7 13.4 14.2 56.8 13.3 38 47 X G T < 5S+ 0 0 62 -3,-1.9 -3,-0.2 1,-0.2 -2,-0.1 0.730 81.2 125.6 73.7 25.3 14.2 58.1 9.7 39 48 X E < + 0 0 27 -5,-2.5 -1,-0.2 -6,-0.2 -2,-0.2 -0.900 25.3 168.4-121.3 100.1 12.9 61.6 10.5 40 49 X P + 0 0 57 0, 0.0 29,-2.5 0, 0.0 2,-0.5 0.697 58.7 86.9 -75.2 -17.7 15.0 64.5 9.2 41 50 X C E +c 69 0A 30 27,-0.2 51,-0.9 -7,-0.1 2,-0.4 -0.738 52.9 172.4 -99.2 122.5 12.3 67.0 9.9 42 51 X V E -cd 70 92A 1 27,-2.1 29,-2.7 -2,-0.5 2,-0.3 -0.995 20.9-149.1-132.6 127.4 12.0 68.6 13.4 43 52 X A E -cd 71 93A 5 49,-2.2 51,-2.3 -2,-0.4 2,-0.4 -0.661 16.2-161.1 -89.2 148.4 9.9 71.4 14.6 44 53 X V E +cd 72 94A 0 27,-2.5 29,-2.2 -2,-0.3 30,-0.5 -0.988 14.4 166.8-135.1 126.2 11.2 73.6 17.4 45 54 X G E - d 0 95A 0 49,-2.3 51,-3.6 -2,-0.4 2,-0.3 -0.870 14.1-157.2-131.7 167.5 9.3 75.9 19.8 46 55 X R E -cd 75 96A 55 28,-1.9 30,-2.5 -2,-0.3 51,-0.2 -0.947 13.2-128.6-140.1 161.2 9.9 77.8 23.0 47 56 X D - 0 0 2 49,-1.6 188,-0.1 -2,-0.3 152,-0.1 -0.198 47.9 -78.6 -94.6-167.1 7.8 79.3 25.9 48 57 X G S S+ 0 0 15 186,-0.3 151,-0.5 -2,-0.1 49,-0.1 0.260 80.1 131.7 -83.4 14.2 7.9 82.8 27.3 49 58 X R > - 0 0 3 1,-0.1 3,-1.1 149,-0.1 151,-0.1 -0.287 64.0-124.4 -75.3 154.3 11.0 82.5 29.4 50 59 X L T 3 S+ 0 0 83 149,-0.3 4,-0.4 1,-0.3 -1,-0.1 0.807 111.2 51.9 -62.2 -36.9 13.9 84.9 29.5 51 60 X S T 3> S+ 0 0 19 52,-0.3 4,-2.4 1,-0.2 5,-0.3 0.586 84.5 94.8 -74.2 -14.8 16.5 82.3 28.6 52 61 X G H <> S+ 0 0 0 -3,-1.1 4,-2.5 1,-0.2 5,-0.3 0.864 81.8 48.2 -49.8 -54.6 14.5 81.1 25.6 53 62 X P H > S+ 0 0 71 0, 0.0 4,-1.2 0, 0.0 -1,-0.2 0.923 115.7 46.0 -51.0 -46.6 16.2 83.1 22.9 54 63 X E H > S+ 0 0 64 -4,-0.4 4,-0.9 -3,-0.2 3,-0.4 0.989 119.6 36.4 -62.0 -60.9 19.7 82.1 24.2 55 64 X L H X S+ 0 0 3 -4,-2.4 4,-2.3 1,-0.2 3,-0.2 0.798 110.6 59.3 -67.1 -33.4 19.0 78.3 24.6 56 65 X V H X S+ 0 0 13 -4,-2.5 4,-2.8 -5,-0.3 -1,-0.2 0.844 100.5 55.9 -69.3 -34.9 16.7 77.8 21.6 57 66 X K H X S+ 0 0 51 -4,-1.2 4,-2.2 -3,-0.4 -1,-0.2 0.875 110.5 47.2 -61.7 -35.6 19.4 79.0 19.1 58 67 X Q H X S+ 0 0 68 -4,-0.9 4,-2.2 2,-0.2 -2,-0.2 0.900 110.4 50.9 -71.7 -44.9 21.7 76.3 20.6 59 68 X L H X S+ 0 0 0 -4,-2.3 4,-1.9 2,-0.2 -2,-0.2 0.941 113.3 46.8 -52.0 -51.8 19.0 73.7 20.4 60 69 X I H X S+ 0 0 15 -4,-2.8 4,-2.8 1,-0.2 -2,-0.2 0.899 110.3 51.1 -59.4 -46.3 18.4 74.6 16.7 61 70 X Q H X S+ 0 0 89 -4,-2.2 4,-2.0 1,-0.2 -1,-0.2 0.868 109.0 52.9 -62.2 -36.0 22.1 74.6 15.9 62 71 X G H < S+ 0 0 0 -4,-2.2 -1,-0.2 2,-0.2 -2,-0.2 0.893 111.7 44.7 -63.3 -43.1 22.4 71.2 17.4 63 72 X L H ><>S+ 0 0 0 -4,-1.9 3,-1.7 1,-0.2 5,-1.6 0.959 114.2 48.9 -64.5 -50.0 19.6 69.9 15.3 64 73 X V H ><5S+ 0 0 17 -4,-2.8 75,-2.7 1,-0.3 3,-1.2 0.779 102.6 61.5 -60.7 -35.4 21.0 71.5 12.1 65 74 X D T 3<5S+ 0 0 50 -4,-2.0 72,-1.6 1,-0.2 -1,-0.3 0.437 100.2 56.9 -74.2 -1.9 24.5 70.2 12.7 66 75 X C B < 5S-i 137 0C 4 -3,-1.7 70,-0.3 70,-0.3 -1,-0.2 0.522 125.9-101.3 -93.5 -13.9 23.0 66.7 12.4 67 76 X G T < 5S+ 0 0 28 -3,-1.2 -3,-0.2 70,-0.6 71,-0.2 0.498 71.9 153.8 98.5 10.9 21.6 67.4 9.0 68 77 X C < - 0 0 0 -5,-1.6 72,-1.9 69,-0.2 2,-0.9 -0.439 47.6-129.1 -77.8 148.7 18.1 68.0 10.3 69 78 X Q E -ce 41 140A 29 -29,-2.5 -27,-2.1 70,-0.2 2,-0.3 -0.846 33.0-157.7 -95.1 102.0 15.5 70.2 8.6 70 79 X V E -ce 42 141A 1 70,-3.3 72,-2.8 -2,-0.9 2,-0.6 -0.638 15.0-158.8 -91.3 132.7 14.3 72.4 11.4 71 80 X S E -ce 43 142A 24 -29,-2.7 -27,-2.5 -2,-0.3 2,-0.7 -0.952 13.5-155.0-104.6 108.2 11.0 74.3 11.4 72 81 X D E +ce 44 143A 28 70,-2.9 72,-2.9 -2,-0.6 -27,-0.2 -0.788 18.0 175.4 -86.3 110.9 11.3 77.2 13.8 73 82 X V E - 0 0 12 -29,-2.2 73,-0.3 -2,-0.7 74,-0.2 0.302 32.0-144.3 -98.5 7.1 7.8 78.1 15.1 74 83 X G E - 0 0 25 -30,-0.5 -28,-1.9 71,-0.1 2,-0.7 -0.359 57.1 -3.5 72.8-146.5 9.0 80.7 17.6 75 84 X M E S+c 46 0A 67 -30,-0.2 -28,-0.2 -2,-0.1 -27,-0.1 -0.759 84.0 143.2 -90.2 111.8 7.4 81.3 20.9 76 85 X V - 0 0 8 -30,-2.5 2,-0.1 -2,-0.7 98,-0.1 -0.935 54.0 -89.1-142.8 159.3 4.4 79.0 21.3 77 86 X P >> - 0 0 1 0, 0.0 4,-1.5 0, 0.0 3,-1.4 -0.460 46.4-108.9 -63.5 150.2 2.5 77.0 23.8 78 87 X T H 3> S+ 0 0 0 157,-2.0 4,-2.2 1,-0.3 3,-0.2 0.874 119.2 54.4 -49.6 -46.0 3.8 73.4 24.2 79 88 X P H 3> S+ 0 0 0 0, 0.0 4,-2.2 0, 0.0 -1,-0.3 0.804 103.4 57.0 -62.5 -23.8 0.7 72.0 22.6 80 89 X V H <> S+ 0 0 2 -3,-1.4 4,-2.2 2,-0.2 -2,-0.2 0.859 105.7 50.4 -73.4 -34.2 1.2 74.3 19.6 81 90 X L H X S+ 0 0 0 -4,-1.5 4,-2.0 -3,-0.2 -1,-0.2 0.931 110.9 48.7 -64.5 -42.8 4.7 72.7 19.2 82 91 X Y H < S+ 0 0 4 -4,-2.2 4,-0.3 1,-0.2 -2,-0.2 0.879 110.1 52.8 -64.1 -37.9 3.0 69.2 19.3 83 92 X Y H >X S+ 0 0 7 -4,-2.2 4,-1.6 2,-0.2 3,-1.6 0.913 105.4 52.9 -58.5 -47.3 0.6 70.4 16.8 84 93 X A H 3X S+ 0 0 0 -4,-2.2 4,-2.3 1,-0.3 3,-0.3 0.916 105.4 55.5 -57.4 -40.6 3.4 71.5 14.5 85 94 X A H 3< S+ 0 0 4 -4,-2.0 -1,-0.3 1,-0.2 -2,-0.2 0.537 110.5 47.0 -72.0 -7.9 4.8 68.0 14.8 86 95 X N H <4 S+ 0 0 52 -3,-1.6 -1,-0.2 -4,-0.3 -2,-0.2 0.686 120.9 31.2 -99.3 -23.5 1.5 66.6 13.6 87 96 X V H < S+ 0 0 62 -4,-1.6 -2,-0.2 -3,-0.3 -3,-0.2 0.613 103.3 75.1-112.4 -15.9 0.8 68.9 10.6 88 97 X L S < S- 0 0 44 -4,-2.3 -45,-0.0 2,-0.3 -47,-0.0 -0.162 100.5 -87.7 -83.3-173.0 4.2 69.8 9.1 89 98 X E S S+ 0 0 88 -47,-0.0 2,-0.2 2,-0.0 -48,-0.1 0.876 107.5 61.3 -65.9 -36.8 6.4 67.4 7.1 90 99 X G - 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