==== 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 25-MAY-06 2H5A . COMPND 2 MOLECULE: PHOSPHOMANNOMUTASE/PHOSPHOGLUCOMUTASE; . SOURCE 2 ORGANISM_SCIENTIFIC: PSEUDOMONAS AERUGINOSA; . AUTHOR C.REGNI,G.S.SHACKELFORD,L.J.BEAMER . 455 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 16857.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 334 73.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 45 9.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 56 12.3 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 . 27 5.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 48 10.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 135 29.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 8 1.8 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 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 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 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 9 X L 0 0 70 0, 0.0 2,-0.1 0, 0.0 18,-0.1 0.000 360.0 360.0 360.0 152.7 -49.9 8.1 8.9 2 10 X P > - 0 0 51 0, 0.0 3,-0.7 0, 0.0 4,-0.2 -0.445 360.0-145.3 -66.6 136.1 -49.3 6.6 12.4 3 11 X A G > S+ 0 0 57 1,-0.2 3,-1.6 -2,-0.1 124,-0.1 0.754 89.1 76.0 -68.8 -25.5 -46.1 4.7 12.7 4 12 X S G 3 S+ 0 0 67 1,-0.3 -1,-0.2 7,-0.0 8,-0.1 0.720 85.0 61.2 -65.2 -25.0 -47.6 2.1 15.0 5 13 X I G < S+ 0 0 1 -3,-0.7 7,-2.1 13,-0.1 2,-1.1 0.640 84.3 86.9 -76.4 -15.1 -49.6 0.3 12.3 6 14 X F B < +A 11 0A 9 -3,-1.6 5,-0.2 5,-0.2 -1,-0.1 -0.746 66.9 171.9 -90.7 97.0 -46.3 -0.6 10.5 7 15 X R - 0 0 63 3,-2.0 113,-0.1 -2,-1.1 116,-0.1 -0.312 46.6 -94.2-104.6-179.6 -45.3 -3.9 12.2 8 16 X A S S+ 0 0 13 408,-0.6 112,-2.9 1,-0.2 115,-0.2 0.893 119.6 23.5 -62.1 -40.9 -42.7 -6.6 11.8 9 17 X Y S S- 0 0 15 407,-0.3 2,-0.3 110,-0.2 -1,-0.2 0.702 130.6 -34.2-100.9 -25.2 -44.8 -9.0 9.8 10 18 X D S S- 0 0 2 100,-0.1 -3,-2.0 -5,-0.1 2,-0.4 -0.888 73.2 -67.6-172.5-170.2 -47.4 -6.8 8.1 11 19 X I E +AB 6 109A 1 98,-2.2 98,-2.4 -2,-0.3 2,-0.3 -0.936 50.7 169.5-107.9 131.8 -49.6 -3.7 8.6 12 20 X R E + B 0 108A 31 -7,-2.1 2,-0.3 -2,-0.4 96,-0.2 -0.988 5.8 140.7-148.7 134.6 -52.3 -3.8 11.3 13 21 X G E - B 0 107A 7 94,-2.5 94,-2.3 -2,-0.3 2,-0.5 -0.882 48.0 -88.6-156.3-176.3 -54.6 -1.2 12.8 14 22 X V E > > - B 0 106A 37 -2,-0.3 5,-2.6 92,-0.2 3,-1.7 -0.948 41.6-121.9-112.4 124.8 -58.0 -0.3 14.1 15 23 X V B 3 5S+h 19 0B 33 90,-2.7 5,-0.2 -2,-0.5 3,-0.1 -0.440 99.3 22.4 -69.3 134.7 -60.5 1.1 11.6 16 24 X G T 3 5S+ 0 0 72 3,-2.5 -1,-0.3 1,-0.2 4,-0.1 0.192 131.8 45.5 89.5 -15.5 -61.8 4.6 12.6 17 25 X D T < 5S- 0 0 121 -3,-1.7 -1,-0.2 2,-0.4 -2,-0.1 0.442 131.3 -2.2-114.9 -95.7 -58.7 5.1 14.8 18 26 X T T 5S+ 0 0 31 -4,-0.3 2,-0.4 -3,-0.1 -3,-0.2 0.613 129.6 55.0 -80.6 -13.4 -55.2 4.1 13.4 19 27 X L B < +h 15 0B 0 -5,-2.6 -3,-2.5 -18,-0.1 -2,-0.4 -0.988 63.8 160.4-124.8 128.1 -56.7 2.9 10.1 20 28 X T > - 0 0 52 -2,-0.4 4,-1.9 -5,-0.2 5,-0.1 -0.842 54.1 -98.1-132.3 172.2 -58.9 4.9 7.7 21 29 X A H > S+ 0 0 22 -2,-0.3 4,-1.8 1,-0.2 -1,-0.1 0.890 124.4 53.7 -55.3 -43.6 -60.0 4.8 4.1 22 30 X E H > S+ 0 0 130 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.873 105.6 54.0 -61.1 -38.9 -57.3 7.5 3.3 23 31 X T H > S+ 0 0 5 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.915 105.9 52.2 -60.3 -48.0 -54.6 5.3 4.9 24 32 X A H X S+ 0 0 0 -4,-1.9 4,-2.4 1,-0.2 -1,-0.2 0.876 107.3 53.8 -58.4 -40.2 -55.6 2.4 2.7 25 33 X Y H X S+ 0 0 29 -4,-1.8 4,-2.3 2,-0.2 -2,-0.2 0.953 111.9 42.2 -57.0 -52.5 -55.2 4.6 -0.4 26 34 X W H X S+ 0 0 74 -4,-2.0 4,-2.5 2,-0.2 -2,-0.2 0.865 112.1 53.7 -70.8 -32.7 -51.7 5.7 0.5 27 35 X I H X S+ 0 0 2 -4,-2.6 4,-2.9 2,-0.2 5,-0.2 0.924 108.1 52.4 -62.0 -42.5 -50.7 2.2 1.5 28 36 X G H X S+ 0 0 0 -4,-2.4 4,-2.7 -5,-0.2 -2,-0.2 0.932 109.3 49.0 -54.0 -48.5 -51.9 1.2 -2.0 29 37 X R H X S+ 0 0 29 -4,-2.3 4,-2.1 1,-0.2 107,-0.4 0.896 112.0 48.6 -59.7 -42.9 -49.7 3.9 -3.5 30 38 X A H X S+ 0 0 0 -4,-2.5 4,-2.2 2,-0.2 -2,-0.2 0.919 112.9 46.3 -66.1 -43.9 -46.7 2.7 -1.5 31 39 X I H X S+ 0 0 0 -4,-2.9 4,-2.8 2,-0.2 -2,-0.2 0.922 112.4 50.8 -65.4 -44.0 -47.2 -1.0 -2.4 32 40 X G H X S+ 0 0 0 -4,-2.7 4,-2.6 -5,-0.2 -1,-0.2 0.911 110.1 50.5 -57.9 -43.8 -47.7 -0.1 -6.1 33 41 X S H X S+ 0 0 5 -4,-2.1 4,-2.3 -5,-0.2 -1,-0.2 0.914 112.3 46.1 -61.5 -46.5 -44.5 1.9 -6.1 34 42 X E H X S+ 0 0 35 -4,-2.2 4,-1.5 2,-0.2 -2,-0.2 0.910 111.7 51.5 -64.2 -42.9 -42.5 -0.9 -4.5 35 43 X S H <>S+ 0 0 0 -4,-2.8 5,-2.8 1,-0.2 3,-0.3 0.930 112.0 46.7 -59.6 -47.0 -43.9 -3.5 -6.9 36 44 X L H ><5S+ 0 0 61 -4,-2.6 3,-1.8 1,-0.2 -1,-0.2 0.882 107.1 57.3 -59.9 -41.6 -43.0 -1.3 -9.9 37 45 X A H 3<5S+ 0 0 68 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.804 107.4 50.0 -58.5 -31.8 -39.5 -0.7 -8.4 38 46 X R T 3<5S- 0 0 77 -4,-1.5 -1,-0.3 -3,-0.3 -2,-0.2 0.294 125.9-103.0 -90.7 9.3 -39.2 -4.5 -8.5 39 47 X G T < 5S+ 0 0 63 -3,-1.8 -3,-0.2 1,-0.2 -2,-0.1 0.686 84.3 122.5 82.0 21.4 -40.3 -4.8 -12.1 40 48 X E < + 0 0 27 -5,-2.8 -2,-0.2 -6,-0.2 -1,-0.2 -0.881 26.4 167.0-122.9 99.9 -43.8 -6.0 -11.3 41 49 X P + 0 0 39 0, 0.0 29,-2.4 0, 0.0 2,-0.5 0.684 59.6 85.5 -81.5 -13.4 -46.8 -4.0 -12.6 42 50 X C E +c 70 0A 10 27,-0.2 51,-1.0 -7,-0.1 2,-0.4 -0.779 54.0 173.8-101.6 120.8 -49.3 -6.7 -11.9 43 51 X V E -cd 71 93A 0 27,-2.1 29,-2.6 -2,-0.5 2,-0.3 -0.988 20.6-146.9-131.9 126.0 -50.8 -6.9 -8.4 44 52 X A E -cd 72 94A 3 49,-2.6 51,-2.5 -2,-0.4 2,-0.4 -0.662 16.1-160.9 -87.0 148.0 -53.6 -9.2 -7.0 45 53 X V E +cd 73 95A 0 27,-2.8 29,-2.4 -2,-0.3 30,-0.5 -0.992 14.3 167.4-134.6 129.6 -55.9 -7.8 -4.3 46 54 X G E -cd 75 96A 0 49,-2.2 51,-2.9 -2,-0.4 2,-0.3 -0.866 13.4-159.4-130.8 163.8 -58.2 -9.7 -1.9 47 55 X R E -cd 76 97A 55 28,-1.8 30,-2.0 -2,-0.3 51,-0.2 -0.985 14.3-129.2-141.7 155.0 -60.1 -8.9 1.3 48 56 X D - 0 0 2 49,-2.0 188,-0.1 -2,-0.3 152,-0.1 -0.009 45.0 -83.9 -86.2-159.3 -61.6 -11.0 4.2 49 57 X G S S+ 0 0 13 186,-0.4 151,-0.4 27,-0.1 49,-0.1 0.087 77.3 135.2-100.5 25.8 -65.1 -10.8 5.5 50 58 X R > - 0 0 4 1,-0.1 3,-1.3 149,-0.1 151,-0.1 -0.333 65.3-118.3 -77.1 155.6 -64.7 -7.8 7.8 51 59 X L T 3 S+ 0 0 96 149,-0.4 4,-0.3 53,-0.3 -1,-0.1 0.832 115.4 48.5 -58.7 -35.8 -67.2 -4.9 8.0 52 60 X S T 3> S+ 0 0 14 52,-0.3 4,-2.5 1,-0.2 5,-0.3 0.484 85.7 96.8 -84.9 -6.9 -64.6 -2.4 6.8 53 61 X G H <> S+ 0 0 0 -3,-1.3 4,-2.9 1,-0.2 5,-0.3 0.919 81.1 47.2 -50.1 -59.8 -63.5 -4.6 3.9 54 62 X P H > S+ 0 0 68 0, 0.0 4,-1.4 0, 0.0 -1,-0.2 0.912 115.2 45.8 -53.2 -46.2 -65.6 -3.0 1.1 55 63 X E H > S+ 0 0 119 -4,-0.3 4,-1.0 1,-0.2 -2,-0.2 0.937 119.3 38.6 -64.6 -47.7 -64.6 0.6 2.1 56 64 X L H X S+ 0 0 0 -4,-2.5 4,-2.3 1,-0.2 -1,-0.2 0.868 110.6 57.7 -75.0 -35.8 -60.9 0.0 2.5 57 65 X V H X S+ 0 0 13 -4,-2.9 4,-2.8 -5,-0.3 5,-0.2 0.883 101.9 56.1 -65.7 -35.8 -60.4 -2.4 -0.4 58 66 X K H X S+ 0 0 129 -4,-1.4 4,-2.2 -5,-0.3 -1,-0.2 0.920 111.6 43.7 -59.7 -42.5 -61.7 0.2 -2.9 59 67 X Q H X S+ 0 0 63 -4,-1.0 4,-2.3 2,-0.2 -2,-0.2 0.858 110.9 54.0 -70.3 -37.9 -59.1 2.7 -1.7 60 68 X L H X S+ 0 0 0 -4,-2.3 4,-1.8 2,-0.2 -2,-0.2 0.955 111.3 46.4 -62.1 -48.2 -56.3 0.1 -1.7 61 69 X I H X S+ 0 0 15 -4,-2.8 4,-3.0 1,-0.2 -2,-0.2 0.920 111.1 51.6 -58.7 -44.9 -57.1 -0.7 -5.3 62 70 X Q H X S+ 0 0 68 -4,-2.2 4,-2.6 1,-0.2 -1,-0.2 0.892 107.4 53.4 -61.9 -38.9 -57.3 3.0 -6.3 63 71 X G H < S+ 0 0 0 -4,-2.3 -1,-0.2 2,-0.2 -2,-0.2 0.899 112.0 44.7 -61.3 -42.2 -53.9 3.6 -4.7 64 72 X L H ><>S+ 0 0 0 -4,-1.8 5,-1.7 1,-0.2 3,-1.6 0.927 112.9 51.0 -66.7 -44.7 -52.4 0.7 -6.8 65 73 X V H ><5S+ 0 0 16 -4,-3.0 75,-1.9 1,-0.3 3,-1.6 0.886 102.7 60.1 -60.1 -39.8 -54.2 1.9 -9.9 66 74 X D T 3<5S+ 0 0 48 -4,-2.6 72,-2.0 1,-0.3 -1,-0.3 0.490 99.8 57.9 -71.7 -4.4 -52.9 5.4 -9.5 67 75 X C B < 5S-i 138 0C 5 -3,-1.6 70,-0.3 70,-0.3 -1,-0.3 0.597 124.3-100.9 -88.5 -18.1 -49.3 4.0 -9.7 68 76 X G T < 5S+ 0 0 21 -3,-1.6 -3,-0.2 70,-0.6 71,-0.2 0.467 73.4 150.7 101.5 7.1 -49.9 2.6 -13.1 69 77 X C < - 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