==== 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 26-APR-03 1P5G . COMPND 2 MOLECULE: PHOSPHOMANNOMUTASE; . SOURCE 2 ORGANISM_SCIENTIFIC: PSEUDOMONAS AERUGINOSA; . AUTHOR C.REGNI,P.A.TIPTON,L.J.BEAMER . 455 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 16507.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 335 73.6 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 . 25 5.5 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 . 137 30.1 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 0 0 3 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 67 0, 0.0 2,-0.2 0, 0.0 18,-0.1 0.000 360.0 360.0 360.0 150.2 -49.9 8.0 9.1 2 10 X P > - 0 0 47 0, 0.0 3,-1.0 0, 0.0 4,-0.2 -0.454 360.0-144.1 -68.2 134.5 -49.4 6.5 12.6 3 11 X A G > S+ 0 0 56 1,-0.2 3,-1.6 -2,-0.2 124,-0.1 0.761 89.6 74.7 -67.1 -29.0 -46.1 4.6 12.8 4 12 X S G 3 S+ 0 0 76 1,-0.3 -1,-0.2 7,-0.0 8,-0.1 0.684 85.8 62.1 -64.8 -21.1 -47.6 1.9 15.2 5 13 X I G < S+ 0 0 0 -3,-1.0 7,-2.1 13,-0.1 2,-1.1 0.659 83.7 85.2 -79.4 -15.0 -49.6 0.2 12.4 6 14 X F B < +A 11 0A 9 -3,-1.6 5,-0.2 -4,-0.2 2,-0.1 -0.747 69.4 173.5 -88.9 99.2 -46.3 -0.7 10.5 7 15 X R - 0 0 64 3,-1.8 113,-0.1 -2,-1.1 116,-0.1 -0.340 45.2 -97.6-106.0 179.0 -45.4 -3.9 12.3 8 16 X A S S+ 0 0 14 408,-0.6 112,-2.6 1,-0.2 115,-0.2 0.886 117.9 23.4 -63.8 -43.1 -42.8 -6.6 11.9 9 17 X Y S S- 0 0 20 407,-0.3 2,-0.2 110,-0.2 -1,-0.2 0.724 131.2 -28.3 -97.6 -28.6 -44.9 -9.1 10.0 10 18 X D S S- 0 0 10 100,-0.1 -3,-1.8 -5,-0.1 2,-0.4 -0.828 72.5 -74.8-163.0-171.5 -47.6 -7.0 8.4 11 19 X I E +AB 6 109A 0 98,-2.2 98,-2.1 -2,-0.2 2,-0.3 -0.961 51.2 167.0-108.3 135.3 -49.6 -3.8 8.7 12 20 X R E + B 0 108A 32 -7,-2.1 2,-0.3 -2,-0.4 96,-0.3 -0.972 3.2 143.4-152.9 133.6 -52.4 -3.8 11.3 13 21 X G E - B 0 107A 6 94,-2.7 94,-2.3 -2,-0.3 2,-0.5 -0.896 47.5 -88.0-154.8-175.8 -54.5 -1.1 12.9 14 22 X V E > > - B 0 106A 35 -2,-0.3 5,-2.3 92,-0.2 3,-1.8 -0.913 41.5-123.2-109.5 120.6 -58.0 -0.2 14.3 15 23 X V B 3 5S+h 19 0B 27 90,-2.8 5,-0.2 -2,-0.5 3,-0.1 -0.418 98.8 22.7 -65.3 135.5 -60.5 1.2 11.8 16 24 X G T 3 5S+ 0 0 73 3,-1.5 -1,-0.3 1,-0.2 4,-0.1 0.159 132.1 44.7 91.0 -15.6 -61.8 4.6 12.8 17 25 X D T < 5S- 0 0 117 -3,-1.8 -1,-0.2 2,-0.3 -2,-0.2 0.531 130.5 -1.5-121.7 -91.3 -58.6 5.1 15.0 18 26 X T T 5S+ 0 0 31 -4,-0.5 2,-0.5 1,-0.2 -3,-0.2 0.592 127.4 54.9 -88.3 -8.5 -55.2 4.2 13.5 19 27 X L B < +h 15 0B 0 -5,-2.3 -3,-1.5 -18,-0.1 -2,-0.3 -0.960 65.7 164.8-129.2 113.7 -56.5 2.9 10.1 20 28 X T > - 0 0 56 -2,-0.5 4,-2.2 -5,-0.2 5,-0.2 -0.769 51.4-101.0-117.4 171.0 -58.6 5.1 7.9 21 29 X A H > S+ 0 0 24 -2,-0.3 4,-1.8 1,-0.2 -1,-0.1 0.902 123.4 51.5 -51.7 -45.7 -59.7 5.0 4.2 22 30 X E H > S+ 0 0 56 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.894 107.4 52.7 -64.7 -38.9 -57.1 7.7 3.4 23 31 X T H > S+ 0 0 8 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.915 106.6 53.1 -63.4 -40.7 -54.4 5.6 5.0 24 32 X A H X S+ 0 0 0 -4,-2.2 4,-2.2 1,-0.2 -1,-0.2 0.870 107.1 53.1 -60.1 -39.3 -55.4 2.6 2.9 25 33 X Y H X S+ 0 0 31 -4,-1.8 4,-2.3 2,-0.2 -2,-0.2 0.954 111.5 43.7 -60.0 -50.8 -55.1 4.7 -0.2 26 34 X W H X S+ 0 0 94 -4,-2.1 4,-2.5 2,-0.2 -2,-0.2 0.866 110.6 55.1 -69.2 -33.6 -51.5 5.8 0.6 27 35 X I H X S+ 0 0 0 -4,-2.4 4,-2.8 2,-0.2 -1,-0.2 0.922 108.3 50.0 -61.8 -42.5 -50.5 2.3 1.7 28 36 X G H X S+ 0 0 0 -4,-2.2 4,-2.7 1,-0.2 5,-0.2 0.912 109.4 51.2 -60.2 -43.5 -51.7 1.2 -1.8 29 37 X R H X S+ 0 0 29 -4,-2.3 4,-2.1 2,-0.2 107,-0.4 0.917 111.9 47.2 -57.3 -44.5 -49.6 3.9 -3.4 30 38 X A H X S+ 0 0 0 -4,-2.5 4,-2.2 2,-0.2 -2,-0.2 0.927 113.5 47.0 -65.6 -44.7 -46.6 2.8 -1.4 31 39 X I H X S+ 0 0 1 -4,-2.8 4,-2.6 2,-0.2 -2,-0.2 0.916 112.3 49.2 -64.3 -44.0 -47.1 -0.9 -2.2 32 40 X G H X S+ 0 0 0 -4,-2.7 4,-2.5 1,-0.2 -1,-0.2 0.900 110.2 52.3 -64.2 -36.7 -47.6 -0.2 -5.9 33 41 X S H X S+ 0 0 4 -4,-2.1 4,-2.1 -5,-0.2 -1,-0.2 0.921 111.7 45.4 -63.6 -45.1 -44.5 2.0 -6.0 34 42 X E H X S+ 0 0 40 -4,-2.2 4,-1.3 2,-0.2 -2,-0.2 0.901 111.6 52.7 -66.0 -39.7 -42.4 -0.8 -4.4 35 43 X S H ><>S+ 0 0 0 -4,-2.6 5,-2.6 1,-0.2 3,-0.6 0.946 111.3 46.2 -62.0 -45.1 -43.9 -3.4 -6.8 36 44 X L H ><5S+ 0 0 60 -4,-2.5 3,-1.8 1,-0.2 -1,-0.2 0.870 106.4 59.1 -63.1 -37.4 -43.0 -1.3 -9.8 37 45 X A H 3<5S+ 0 0 68 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.777 106.9 48.9 -61.6 -26.9 -39.5 -0.7 -8.3 38 46 X R T <<5S- 0 0 82 -4,-1.3 -1,-0.3 -3,-0.6 -2,-0.2 0.241 125.8-102.9 -95.7 10.5 -39.1 -4.5 -8.5 39 47 X G T < 5S+ 0 0 64 -3,-1.8 -3,-0.2 1,-0.1 -2,-0.1 0.643 84.4 121.9 80.7 21.0 -40.3 -4.7 -12.1 40 48 X E < + 0 0 29 -5,-2.6 -2,-0.2 -6,-0.2 -1,-0.1 -0.882 27.1 168.1-122.6 99.9 -43.8 -6.0 -11.3 41 49 X P + 0 0 40 0, 0.0 29,-2.6 0, 0.0 2,-0.5 0.669 59.7 88.2 -79.1 -14.5 -46.8 -3.9 -12.5 42 50 X C E +c 70 0A 31 27,-0.2 51,-1.0 -7,-0.1 2,-0.4 -0.766 52.3 172.9 -97.1 123.1 -49.3 -6.7 -11.7 43 51 X V E -cd 71 93A 1 27,-2.1 29,-2.3 -2,-0.5 51,-0.3 -0.987 20.5-147.5-133.8 122.0 -50.8 -6.8 -8.2 44 52 X A E -cd 72 94A 3 49,-2.4 51,-2.6 -2,-0.4 2,-0.4 -0.631 16.1-159.7 -83.5 145.9 -53.6 -9.1 -6.9 45 53 X V E +cd 73 95A 0 27,-2.7 29,-2.5 -2,-0.3 30,-0.5 -0.994 15.0 167.1-133.1 132.0 -55.9 -7.7 -4.2 46 54 X G E -cd 75 96A 0 49,-2.1 51,-2.7 -2,-0.4 2,-0.3 -0.869 13.4-160.0-132.6 161.0 -58.1 -9.7 -1.8 47 55 X R E -cd 76 97A 60 28,-1.7 30,-2.3 -2,-0.3 51,-0.2 -0.972 13.8-131.7-138.8 156.1 -60.1 -8.9 1.4 48 56 X D - 0 0 2 49,-1.9 188,-0.1 -2,-0.3 152,-0.1 -0.018 44.9 -81.5 -87.7-162.6 -61.5 -11.0 4.2 49 57 X G S S+ 0 0 13 186,-0.3 151,-0.4 27,-0.1 2,-0.1 0.108 78.0 133.4 -94.4 22.4 -65.1 -10.8 5.6 50 58 X R > - 0 0 4 1,-0.1 3,-1.4 149,-0.1 151,-0.1 -0.347 65.8-118.5 -76.1 155.6 -64.6 -7.8 7.9 51 59 X L T 3 S+ 0 0 92 149,-0.3 4,-0.3 53,-0.3 -1,-0.1 0.839 114.7 49.6 -62.0 -35.3 -67.1 -4.9 8.1 52 60 X S T 3> S+ 0 0 13 52,-0.4 4,-2.4 1,-0.2 5,-0.3 0.446 84.0 99.5 -83.5 -5.6 -64.5 -2.4 7.0 53 61 X G H <> S+ 0 0 0 -3,-1.4 4,-2.7 1,-0.2 5,-0.3 0.915 81.1 45.5 -46.0 -60.4 -63.4 -4.5 4.0 54 62 X P H > S+ 0 0 70 0, 0.0 4,-1.5 0, 0.0 -1,-0.2 0.925 114.9 47.8 -52.4 -50.1 -65.4 -2.8 1.3 55 63 X E H > S+ 0 0 110 -4,-0.3 4,-1.0 1,-0.2 -2,-0.2 0.939 119.2 36.8 -57.9 -53.2 -64.4 0.8 2.4 56 64 X L H X S+ 0 0 0 -4,-2.4 4,-2.3 1,-0.2 -1,-0.2 0.846 111.0 58.6 -75.8 -34.0 -60.7 0.1 2.7 57 65 X V H X S+ 0 0 13 -4,-2.7 4,-2.6 -5,-0.3 5,-0.2 0.877 101.6 55.6 -67.0 -33.3 -60.3 -2.2 -0.3 58 66 X K H X S+ 0 0 106 -4,-1.5 4,-2.2 -5,-0.3 -1,-0.2 0.907 111.2 45.2 -63.2 -39.7 -61.6 0.4 -2.7 59 67 X Q H X S+ 0 0 59 -4,-1.0 4,-2.4 2,-0.2 -2,-0.2 0.896 110.6 52.5 -71.0 -41.0 -58.9 2.8 -1.5 60 68 X L H X S+ 0 0 0 -4,-2.3 4,-1.9 2,-0.2 -2,-0.2 0.930 111.9 47.2 -57.5 -47.8 -56.1 0.2 -1.5 61 69 X I H X S+ 0 0 14 -4,-2.6 4,-2.9 1,-0.2 -2,-0.2 0.922 111.1 50.2 -63.0 -44.9 -57.0 -0.6 -5.1 62 70 X Q H X S+ 0 0 63 -4,-2.2 4,-2.7 1,-0.2 -1,-0.2 0.889 108.0 54.3 -62.8 -37.5 -57.2 3.1 -6.2 63 71 X G H < S+ 0 0 0 -4,-2.4 4,-0.3 2,-0.2 -1,-0.2 0.908 111.7 44.0 -60.4 -45.5 -53.8 3.7 -4.6 64 72 X L H ><>S+ 0 0 0 -4,-1.9 5,-1.9 -5,-0.2 3,-1.5 0.947 113.7 51.0 -62.1 -45.9 -52.3 0.8 -6.6 65 73 X V H ><5S+ 0 0 16 -4,-2.9 75,-2.0 1,-0.3 3,-1.8 0.895 103.0 59.9 -58.1 -41.6 -54.1 2.1 -9.8 66 74 X D T 3<5S+ 0 0 46 -4,-2.7 72,-2.0 1,-0.3 -1,-0.3 0.529 100.9 55.8 -70.7 -6.9 -52.8 5.6 -9.2 67 75 X C B < 5S-i 138 0C 5 -3,-1.5 70,-0.3 -4,-0.3 -1,-0.3 0.582 124.7-101.3 -86.4 -17.5 -49.2 4.2 -9.5 68 76 X G T < 5S+ 0 0 24 -3,-1.8 -3,-0.2 70,-0.6 71,-0.2 0.494 72.8 150.6 97.4 13.3 -49.9 2.7 -12.9 69 77 X C < - 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