==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=5-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ISOMERASE 01-OCT-01 1K35 . 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) . 17146.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 343 75.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 40 8.8 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 . 3 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.2 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 . 34 7.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 56 12.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 132 29.0 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 0 1 1 3 2 0 2 2 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 1 0 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 A L 0 0 140 0, 0.0 25,-0.1 0, 0.0 130,-0.0 0.000 360.0 360.0 360.0-165.8 51.0 26.0 7.9 2 10 A P - 0 0 67 0, 0.0 2,-0.4 0, 0.0 21,-0.0 0.340 360.0-155.8 -28.2 143.9 50.1 28.4 10.6 3 11 A A > + 0 0 29 1,-0.2 3,-1.5 2,-0.1 124,-0.1 -0.517 57.6 97.9 -36.5 -17.8 48.5 31.2 11.7 4 12 A S T 3 S+ 0 0 105 -2,-0.4 -1,-0.2 1,-0.3 8,-0.1 0.543 91.0 71.7 -80.3 9.5 49.0 33.7 14.5 5 13 A I T 3 S+ 0 0 4 1,-0.2 7,-1.4 13,-0.1 2,-1.2 0.429 72.0 86.0 -97.7 -3.5 50.7 35.7 11.8 6 14 A F B < +A 11 0A 21 -3,-1.5 5,-0.2 5,-0.2 -1,-0.2 -0.740 68.2 172.5 -97.1 83.5 47.5 36.5 10.0 7 15 A R - 0 0 94 -2,-1.2 116,-0.1 3,-1.1 117,-0.1 0.069 45.3 -89.4 -81.9-167.9 46.7 39.6 12.1 8 16 A A S S+ 0 0 34 1,-0.2 112,-3.6 111,-0.1 115,-0.2 0.885 118.9 17.6 -78.1 -39.3 44.0 42.2 11.6 9 17 A Y S S- 0 0 51 110,-0.2 2,-0.3 114,-0.1 102,-0.2 0.335 132.4 -12.4-115.3 5.0 45.7 44.7 9.3 10 18 A D S S- 0 0 14 100,-0.1 -3,-1.1 2,-0.0 2,-0.4 -0.942 71.9 -87.1-173.4-167.5 48.7 42.7 8.0 11 19 A I E +AB 6 109A 1 98,-1.4 98,-2.1 -2,-0.3 2,-0.3 -0.999 49.4 165.2-126.4 126.1 50.8 39.5 8.3 12 20 A R E + B 0 108A 12 -7,-1.4 2,-0.3 -2,-0.4 96,-0.2 -0.979 6.3 118.4-144.4 155.7 53.7 39.5 10.8 13 21 A G E - B 0 107A 8 94,-1.7 94,-1.9 -2,-0.3 2,-0.5 -0.981 60.8 -47.2 173.4-174.1 56.1 37.2 12.7 14 22 A V E > > - B 0 106A 39 -2,-0.3 5,-2.5 92,-0.2 3,-0.8 -0.733 45.4-135.0 -87.2 124.9 59.7 36.1 13.3 15 23 A V T 3 5S+ 0 0 19 90,-3.7 2,-0.3 -2,-0.5 6,-0.2 0.695 101.8 34.3 -52.8 -32.4 61.7 35.6 10.1 16 24 A G T 3 5S+ 0 0 67 89,-0.3 -1,-0.3 4,-0.1 2,-0.2 -0.619 128.9 27.5-124.4 70.5 63.3 32.3 11.1 17 25 A D T < 5S+ 0 0 109 -3,-0.8 -2,-0.1 2,-0.5 -4,-0.0 -0.726 127.5 14.4 179.8-121.7 60.4 30.9 13.1 18 26 A T T 5S+ 0 0 56 -2,-0.2 2,-0.5 1,-0.2 -3,-0.1 0.768 133.2 45.6 -46.8 -29.5 56.7 31.5 12.7 19 27 A L S > - 0 0 55 -2,-0.5 4,-2.3 -4,-0.2 3,-0.6 -0.834 58.0 -95.3-123.1 165.2 60.0 31.3 7.1 21 29 A A H 3> S+ 0 0 34 -2,-0.3 4,-2.3 1,-0.3 5,-0.2 0.905 126.1 57.4 -42.0 -51.3 60.6 31.5 3.3 22 30 A E H 3> S+ 0 0 126 1,-0.3 4,-1.6 2,-0.2 3,-0.4 0.914 106.9 46.5 -47.6 -52.8 58.3 28.6 2.9 23 31 A T H <> S+ 0 0 17 -3,-0.6 4,-0.6 1,-0.2 -1,-0.3 0.894 110.0 55.4 -59.5 -37.9 55.4 30.5 4.7 24 32 A A H >X S+ 0 0 0 -4,-2.3 4,-2.0 1,-0.2 3,-0.5 0.849 103.7 55.6 -63.0 -36.0 56.2 33.5 2.6 25 33 A Y H 3X S+ 0 0 31 -4,-2.3 4,-1.2 -3,-0.4 -1,-0.2 0.912 106.6 46.8 -65.2 -46.8 55.8 31.5 -0.6 26 34 A W H 3X S+ 0 0 111 -4,-1.6 4,-0.8 1,-0.2 -1,-0.2 0.540 111.8 54.0 -76.2 -5.8 52.3 30.2 0.2 27 35 A I H S+ 0 0 0 -4,-2.2 5,-3.5 -5,-0.3 3,-0.4 0.915 111.1 46.9 -64.3 -37.2 44.3 39.7 -6.9 36 44 A L H ><5S+ 0 0 57 -4,-1.8 3,-2.6 1,-0.2 -1,-0.2 0.933 106.8 57.8 -67.3 -44.7 43.4 37.6 -9.9 37 45 A A H 3<5S+ 0 0 68 -4,-2.9 -1,-0.2 1,-0.3 -2,-0.2 0.711 106.9 49.2 -54.6 -26.2 40.0 37.0 -8.4 38 46 A R T 3<5S- 0 0 84 -4,-1.3 -1,-0.3 -3,-0.4 -2,-0.2 0.257 127.3-101.8 -98.1 11.1 39.5 40.8 -8.4 39 47 A G T < 5S+ 0 0 62 -3,-2.6 -3,-0.2 1,-0.1 -2,-0.2 0.755 84.2 125.1 79.7 25.7 40.6 41.0 -12.0 40 48 A E < + 0 0 29 -5,-3.5 -2,-0.2 -6,-0.2 -1,-0.1 -0.845 22.9 163.1-126.4 100.2 44.2 42.2 -11.2 41 49 A P + 0 0 50 0, 0.0 29,-0.8 0, 0.0 2,-0.6 0.868 60.5 85.1 -75.4 -37.9 47.2 40.3 -12.6 42 50 A C E +c 70 0A 24 27,-0.2 51,-1.1 -7,-0.1 2,-0.4 -0.559 54.7 168.7 -75.6 112.6 49.6 43.3 -12.0 43 51 A V E -cd 71 93A 2 27,-1.1 29,-3.0 -2,-0.6 51,-0.3 -0.960 22.2-144.5-119.6 137.6 51.1 43.4 -8.5 44 52 A A E -cd 72 94A 2 49,-1.3 51,-2.4 -2,-0.4 2,-0.4 -0.626 11.2-160.4 -96.6 158.8 54.0 45.6 -7.2 45 53 A V E +cd 73 95A 2 27,-1.8 29,-3.4 -2,-0.2 30,-0.5 -0.994 15.4 164.9-141.7 132.9 56.5 44.4 -4.5 46 54 A G E -cd 75 96A 0 49,-1.6 51,-2.6 -2,-0.4 2,-0.3 -0.949 15.4-156.5-142.0 155.7 58.8 46.6 -2.4 47 55 A R E -cd 76 97A 7 28,-2.2 30,-2.8 -2,-0.3 51,-0.2 -0.893 11.4-126.2-136.2 166.3 60.7 45.8 0.7 48 56 A D - 0 0 6 49,-1.2 188,-0.1 -2,-0.3 152,-0.1 -0.287 44.3 -87.4 -96.6-168.8 62.2 47.5 3.7 49 57 A G S S+ 0 0 9 186,-0.3 151,-0.4 -2,-0.1 2,-0.1 -0.073 74.2 137.9 -95.9 34.1 65.8 47.3 5.0 50 58 A R - 0 0 9 1,-0.1 3,-0.4 149,-0.1 151,-0.1 -0.380 59.1-128.3 -75.5 158.6 65.5 44.2 7.1 51 59 A L S S+ 0 0 82 53,-0.4 4,-0.3 149,-0.3 -1,-0.1 0.891 108.9 52.7 -70.6 -41.0 68.2 41.5 7.1 52 60 A S S > S+ 0 0 22 52,-0.4 4,-1.3 1,-0.2 -1,-0.2 0.529 96.8 74.6 -71.9 -10.8 65.7 38.8 6.4 53 61 A G H > S+ 0 0 2 -3,-0.4 4,-2.0 2,-0.2 5,-0.3 0.940 71.2 72.0 -72.3 -45.2 64.2 40.6 3.4 54 62 A P H 4 S+ 0 0 100 0, 0.0 4,-0.4 0, 0.0 -1,-0.2 0.739 113.8 31.7 -49.1 -39.1 66.7 40.3 0.6 55 63 A E H >4 S+ 0 0 131 -4,-0.3 3,-2.4 -3,-0.2 4,-0.4 0.959 113.4 61.2 -77.1 -64.1 65.8 36.6 0.3 56 64 A L H 3X S+ 0 0 13 -4,-1.3 4,-2.2 1,-0.3 5,-0.4 0.852 90.7 64.2 -36.4 -66.2 62.1 36.8 1.4 57 65 A V H >X S+ 0 0 21 -4,-2.0 4,-3.8 1,-0.2 3,-0.7 0.869 102.2 59.5 -23.2 -55.7 61.0 39.1 -1.4 58 66 A K H <> S+ 0 0 39 -3,-2.4 4,-3.3 -4,-0.4 5,-0.3 0.866 104.8 41.8 -42.1 -61.4 62.1 35.9 -3.3 59 67 A Q H 3> S+ 0 0 58 -4,-0.4 4,-1.2 -3,-0.4 -1,-0.3 0.834 118.3 50.5 -60.3 -29.3 59.7 33.4 -1.7 60 68 A L H X S+ 0 0 21 -4,-3.8 4,-2.8 -5,-0.4 3,-0.6 0.914 109.6 56.8 -65.0 -37.0 57.6 36.9 -5.5 62 70 A Q H 3X S+ 0 0 89 -4,-3.3 4,-2.4 -5,-0.4 -1,-0.2 0.914 106.0 53.9 -61.7 -34.0 57.9 33.2 -6.4 63 71 A G H 3< S+ 0 0 0 -4,-1.2 -1,-0.3 -5,-0.3 -2,-0.2 0.815 109.8 46.1 -64.9 -32.8 54.4 32.9 -4.9 64 72 A L H XX>S+ 0 0 0 -4,-1.2 5,-1.6 -3,-0.6 3,-1.0 0.893 113.5 47.1 -78.1 -45.0 53.0 35.6 -7.2 65 73 A V H ><5S+ 0 0 11 -4,-2.8 75,-1.9 1,-0.3 3,-1.1 0.883 103.0 62.1 -65.6 -39.8 54.6 34.3 -10.3 66 74 A D T 3<5S+ 0 0 50 -4,-2.4 -1,-0.3 -5,-0.3 -2,-0.1 0.056 104.3 52.7 -72.3 23.3 53.4 30.7 -9.6 67 75 A C T <45S- 0 0 4 -3,-1.0 70,-0.3 70,-0.3 -1,-0.3 0.438 122.1-106.7-122.3 -29.7 49.9 32.2 -9.8 68 76 A G T <<5 + 0 0 28 -3,-1.1 -3,-0.2 -4,-0.7 71,-0.2 0.400 68.4 147.5 110.2 2.1 50.4 33.8 -13.2 69 77 A C < - 0 0 0 -5,-1.6 72,-1.9 69,-0.1 2,-1.0 -0.322 53.4-121.9 -69.7 150.8 50.7 37.5 -12.0 70 78 A Q E -ce 42 141A 105 -29,-0.8 -27,-1.1 70,-0.2 2,-0.4 -0.796 33.3-155.6 -92.4 96.5 52.8 40.1 -13.6 71 79 A V E -ce 43 142A 3 70,-2.1 72,-2.6 -2,-1.0 2,-0.7 -0.603 9.7-160.8 -77.1 126.2 55.0 41.2 -10.7 72 80 A S E -ce 44 143A 21 -29,-3.0 -27,-1.8 -2,-0.4 2,-0.4 -0.907 16.4-156.7-103.8 100.5 56.5 44.7 -10.9 73 81 A D E +ce 45 144A 32 70,-3.7 72,-4.5 -2,-0.7 -27,-0.2 -0.688 21.7 175.9 -87.8 130.7 59.4 44.6 -8.5 74 82 A V E - 0 0 10 -29,-3.4 73,-0.3 -2,-0.4 74,-0.2 0.309 30.3-149.3-113.4 5.9 60.5 47.9 -7.0 75 83 A G E +c 46 0A 28 -30,-0.5 -28,-2.2 -29,-0.1 2,-0.5 -0.283 58.1 3.7 65.7-148.3 63.1 46.5 -4.6 76 84 A X E S+c 47 0A 96 -30,-0.2 -28,-0.2 -27,-0.0 -27,-0.1 -0.620 84.7 131.3 -79.2 119.1 64.0 48.2 -1.4 77 85 A V - 0 0 4 -30,-2.8 2,-0.1 -2,-0.5 98,-0.1 -0.977 58.4 -76.5-157.9 162.3 61.8 51.2 -0.7 78 86 A P >> - 0 0 0 0, 0.0 4,-2.1 0, 0.0 3,-2.0 -0.434 44.5-114.6 -61.6 138.8 59.6 52.9 1.9 79 87 A T H 3> S+ 0 0 0 157,-2.0 4,-2.8 1,-0.3 5,-0.2 0.856 118.3 50.5 -36.4 -56.4 56.1 51.4 2.5 80 88 A P H 3> S+ 0 0 0 0, 0.0 4,-1.5 0, 0.0 -1,-0.3 0.753 106.3 57.8 -60.6 -23.4 54.3 54.6 1.1 81 89 A V H <> S+ 0 0 0 -3,-2.0 4,-2.5 2,-0.2 -2,-0.2 0.940 106.2 47.2 -71.0 -46.4 56.6 54.3 -1.9 82 90 A L H X S+ 0 0 0 -4,-2.1 4,-2.2 1,-0.2 5,-0.2 0.979 112.8 49.7 -54.9 -50.7 55.2 50.7 -2.4 83 91 A Y H < S+ 0 0 6 -4,-2.8 4,-0.5 1,-0.2 -1,-0.2 0.843 107.8 55.4 -55.1 -33.6 51.7 52.2 -2.0 84 92 A Y H >X S+ 0 0 0 -4,-1.5 4,-1.8 -5,-0.2 3,-1.4 0.942 104.7 52.0 -65.7 -44.7 52.7 54.9 -4.5 85 93 A A H >X S+ 0 0 0 -4,-2.5 4,-3.2 1,-0.3 3,-0.7 0.967 105.1 54.5 -55.6 -53.4 53.6 52.2 -7.1 86 94 A A H 3< S+ 0 0 5 -4,-2.2 -1,-0.3 1,-0.3 -2,-0.2 0.643 113.2 45.9 -58.1 -12.5 50.1 50.5 -6.6 87 95 A N H <4 S+ 0 0 61 -3,-1.4 -1,-0.3 -4,-0.5 -2,-0.2 0.734 124.0 27.7 -97.9 -27.5 48.6 53.9 -7.4 88 96 A V H << S+ 0 0 29 -4,-1.8 -2,-0.2 -3,-0.7 -3,-0.2 0.745 103.8 76.9-109.4 -30.3 50.7 55.0 -10.4 89 97 A L S < S- 0 0 37 -4,-3.2 -45,-0.0 -5,-0.3 -47,-0.0 0.118 96.5 -97.3 -63.3-169.3 51.8 51.8 -12.1 90 98 A E S S+ 0 0 87 -47,-0.0 2,-0.2 3,-0.0 -1,-0.1 0.899 105.7 67.1 -82.8 -45.8 49.3 49.8 -14.2 91 99 A G - 0 0 5 1,-0.1 -2,-0.2 -21,-0.1 -48,-0.1 -0.574 68.2-152.6 -75.0 141.8 48.3 47.3 -11.6 92 100 A K S S+ 0 0 80 -2,-0.2 23,-2.0 -4,-0.1 2,-0.3 0.149 71.0 94.0 -98.0 14.6 46.4 48.6 -8.6 93 101 A S E +d 43 0A 2 -51,-1.1 -49,-1.3 21,-0.2 2,-0.3 -0.791 49.0 167.0-105.6 156.7 47.8 45.8 -6.5 94 102 A G E -dF 44 112A 0 18,-2.5 18,-3.4 -2,-0.3 2,-0.4 -0.957 20.2-161.4-166.7 145.7 50.9 46.0 -4.3 95 103 A V E -dF 45 111A 0 -51,-2.4 -49,-1.6 -2,-0.3 2,-0.5 -0.993 5.7-164.3-135.7 128.0 52.7 44.1 -1.6 96 104 A X E -dF 46 110A 0 14,-2.2 14,-2.2 -2,-0.4 2,-0.6 -0.950 15.4-143.8-113.5 122.6 55.3 45.6 0.7 97 105 A L E +dF 47 109A 0 -51,-2.6 -49,-1.2 -2,-0.5 2,-0.3 -0.831 46.1 138.1 -85.7 119.1 57.4 43.0 2.6 98 106 A T - 0 0 6 10,-2.9 9,-0.2 -2,-0.6 3,-0.1 -0.970 55.5-156.5-166.6 151.2 58.0 44.6 6.0 99 107 A G > - 0 0 4 -2,-0.3 3,-2.0 1,-0.3 136,-0.1 0.062 39.5-151.0-114.1 19.6 58.3 44.3 9.8 100 108 A X T 3 - 0 0 32 1,-0.3 -1,-0.3 8,-0.1 137,-0.1 -0.179 67.7 -23.6 50.5-116.7 57.6 48.0 10.5 101 109 A H T 3 S+ 0 0 46 134,-0.1 -1,-0.3 133,-0.1 107,-0.0 0.378 104.2 119.7-109.3 1.3 59.2 49.1 13.7 102 110 A N S < S- 0 0 31 -3,-2.0 -3,-0.1 1,-0.1 4,-0.0 -0.044 76.4 -70.0 -60.4 169.1 59.5 45.6 15.3 103 111 A P > - 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