==== 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 30-SEP-01 1K2Y . COMPND 2 MOLECULE: PHOSPHOMANNOMUTASE; . SOURCE 2 ORGANISM_SCIENTIFIC: PSEUDOMONAS AERUGINOSA; . AUTHOR C.REGNI,P.A.TIPTON,L.J.BEAMER . 459 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 18162.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 336 73.2 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 . 30 6.5 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 . 135 29.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 8 1.7 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 0 1 2 4 0 2 0 1 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 1 0 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 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 5 X K 0 0 122 0, 0.0 133,-0.1 0, 0.0 135,-0.0 0.000 360.0 360.0 360.0 130.7 52.5 19.9 -3.3 2 6 X A - 0 0 16 132,-0.3 2,-0.1 1,-0.1 3,-0.0 -0.340 360.0-119.2 -63.7 149.7 53.1 22.7 -0.9 3 7 X P - 0 0 40 0, 0.0 2,-0.5 0, 0.0 -1,-0.1 -0.250 36.7 -84.3 -78.6 177.6 54.8 22.0 2.5 4 8 X T - 0 0 142 -2,-0.1 131,-0.0 131,-0.0 3,-0.0 -0.753 45.3-164.0 -86.5 122.9 53.2 22.7 6.0 5 9 X L - 0 0 28 -2,-0.5 2,-0.3 126,-0.1 18,-0.1 -0.768 27.9 -99.4-107.2 152.8 53.6 26.2 7.2 6 10 X P > - 0 0 49 0, 0.0 3,-1.3 0, 0.0 4,-0.3 -0.495 21.4-143.6 -69.4 130.8 53.1 27.4 10.7 7 11 X A G > S+ 0 0 62 -2,-0.3 3,-1.8 1,-0.2 124,-0.1 0.787 90.2 78.6 -63.5 -25.5 49.7 29.0 11.3 8 12 X S G 3 S+ 0 0 90 1,-0.3 -1,-0.2 7,-0.0 8,-0.1 0.695 84.1 60.5 -61.9 -23.2 51.3 31.6 13.7 9 13 X I G < S+ 0 0 2 -3,-1.3 7,-2.3 13,-0.1 2,-1.0 0.642 83.9 85.7 -79.0 -16.8 52.7 33.7 10.8 10 14 X F B < +A 15 0A 11 -3,-1.8 5,-0.2 -4,-0.3 2,-0.1 -0.775 65.7 175.7 -88.6 101.0 49.2 34.5 9.3 11 15 X R - 0 0 93 3,-2.3 116,-0.1 -2,-1.0 -2,-0.1 -0.219 45.3 -81.3-100.5-170.7 48.0 37.5 11.3 12 16 X A S S+ 0 0 39 1,-0.2 112,-3.9 111,-0.1 115,-0.3 0.878 120.1 2.5 -61.3 -40.0 45.0 39.7 11.2 13 17 X Y S S+ 0 0 82 110,-0.3 102,-0.5 1,-0.1 109,-0.4 0.453 130.9 9.8-127.6 -7.0 46.1 42.0 8.3 14 18 X D S S- 0 0 29 100,-0.1 -3,-2.3 107,-0.1 2,-0.4 -0.871 72.6 -97.5-160.5-175.9 49.5 40.7 7.2 15 19 X I E +AB 10 113A 2 98,-2.2 98,-2.4 -2,-0.3 2,-0.3 -0.950 39.7 169.9-122.0 138.1 52.0 37.9 7.5 16 20 X R E + B 0 112A 75 -7,-2.3 2,-0.3 -2,-0.4 96,-0.2 -0.988 4.2 143.7-152.2 143.7 55.0 38.0 9.8 17 21 X G E - B 0 111A 5 94,-2.7 94,-2.2 -2,-0.3 2,-0.5 -0.899 45.8 -87.5-162.2-174.3 57.7 35.7 11.1 18 22 X V E >>> - B 0 110A 38 -2,-0.3 5,-2.1 92,-0.2 3,-2.1 -0.958 43.8-119.9-115.0 120.6 61.2 35.1 12.2 19 23 X V B 345S+h 23 0B 39 90,-3.2 5,-0.2 -2,-0.5 3,-0.1 -0.350 99.6 19.8 -63.9 129.8 63.8 34.2 9.5 20 24 X G T 345S+ 0 0 71 3,-2.5 -1,-0.3 1,-0.2 4,-0.1 0.325 131.1 47.5 92.7 -7.3 65.3 30.8 10.1 21 25 X D T <45S- 0 0 116 -3,-2.1 -2,-0.2 2,-0.4 -1,-0.2 0.499 130.7 -2.5-124.2 -84.8 62.5 29.9 12.4 22 26 X T T <5S+ 0 0 28 -4,-0.8 2,-0.4 1,-0.1 -3,-0.2 0.568 129.4 54.0 -93.8 -12.0 58.9 30.5 11.2 23 27 X L B < +h 19 0B 1 -5,-2.1 -3,-2.5 -18,-0.1 -2,-0.4 -0.987 62.8 162.2-126.3 124.3 59.9 32.1 7.9 24 28 X T > - 0 0 52 -2,-0.4 4,-2.1 -5,-0.2 5,-0.2 -0.815 55.1-100.3-126.0 173.8 62.2 30.6 5.3 25 29 X A H > S+ 0 0 22 -2,-0.3 4,-1.6 1,-0.2 -1,-0.1 0.898 126.0 56.2 -57.9 -36.4 63.0 31.2 1.7 26 30 X E H > S+ 0 0 115 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.901 103.9 51.9 -66.6 -39.7 60.7 28.2 1.1 27 31 X T H > S+ 0 0 5 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.924 105.8 55.2 -59.0 -48.7 57.9 29.9 3.0 28 32 X A H X S+ 0 0 0 -4,-2.1 4,-2.3 1,-0.2 -1,-0.2 0.848 104.8 54.2 -56.1 -39.7 58.2 33.0 0.9 29 33 X Y H X S+ 0 0 31 -4,-1.6 4,-2.0 2,-0.2 -1,-0.2 0.944 110.9 43.8 -59.0 -50.8 57.8 31.0 -2.3 30 34 X W H X S+ 0 0 37 -4,-1.7 4,-2.5 2,-0.2 -2,-0.2 0.855 110.6 55.3 -70.3 -31.0 54.6 29.4 -1.2 31 35 X I H X S+ 0 0 2 -4,-2.6 4,-3.0 1,-0.2 5,-0.3 0.926 107.3 50.8 -64.1 -42.6 53.2 32.7 0.1 32 36 X G H X S+ 0 0 0 -4,-2.3 4,-2.8 -5,-0.2 5,-0.2 0.911 108.5 51.6 -58.6 -42.3 53.9 34.2 -3.3 33 37 X R H X S+ 0 0 32 -4,-2.0 4,-2.2 2,-0.2 107,-0.4 0.930 112.9 46.0 -61.7 -39.1 52.0 31.2 -4.9 34 38 X A H X S+ 0 0 0 -4,-2.5 4,-2.2 2,-0.2 -2,-0.2 0.936 114.6 45.2 -69.6 -46.0 49.0 31.9 -2.5 35 39 X I H X S+ 0 0 0 -4,-3.0 4,-2.7 2,-0.2 5,-0.2 0.923 114.3 49.8 -64.5 -43.1 48.9 35.7 -3.1 36 40 X G H X S+ 0 0 0 -4,-2.8 4,-2.7 -5,-0.3 -1,-0.2 0.908 109.2 51.4 -63.3 -40.8 49.3 35.2 -6.8 37 41 X S H X S+ 0 0 4 -4,-2.2 4,-2.2 -5,-0.2 -1,-0.2 0.923 112.5 46.7 -58.0 -46.5 46.5 32.7 -6.9 38 42 X E H X S+ 0 0 34 -4,-2.2 4,-1.8 2,-0.2 -2,-0.2 0.897 110.9 51.0 -67.4 -41.0 44.2 35.1 -5.0 39 43 X S H <>S+ 0 0 0 -4,-2.7 5,-2.9 2,-0.2 -2,-0.2 0.952 111.9 46.9 -60.9 -46.7 45.1 38.0 -7.2 40 44 X L H ><5S+ 0 0 57 -4,-2.7 3,-1.9 3,-0.2 -2,-0.2 0.885 108.3 56.7 -59.1 -38.6 44.3 36.0 -10.4 41 45 X A H 3<5S+ 0 0 70 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.859 107.2 49.9 -64.5 -32.0 41.0 34.9 -8.8 42 46 X R T 3<5S- 0 0 84 -4,-1.8 -1,-0.3 -3,-0.2 -2,-0.2 0.253 126.9-100.9 -88.1 12.2 40.1 38.5 -8.3 43 47 X G T < 5S+ 0 0 64 -3,-1.9 -3,-0.2 1,-0.1 -2,-0.1 0.628 86.4 118.8 83.4 17.3 40.9 39.3 -12.0 44 48 X E < + 0 0 27 -5,-2.9 -2,-0.2 -6,-0.2 -1,-0.1 -0.881 25.2 164.4-124.7 98.0 44.4 40.8 -11.4 45 49 X P + 0 0 54 0, 0.0 29,-2.5 0, 0.0 2,-0.5 0.620 58.8 87.0 -80.9 -16.5 47.4 39.3 -13.0 46 50 X C E +c 74 0A 15 27,-0.2 51,-1.1 -7,-0.1 2,-0.4 -0.787 53.6 172.7 -95.1 123.4 49.7 42.3 -12.4 47 51 X V E -cd 75 97A 2 27,-2.0 29,-2.4 -2,-0.5 2,-0.3 -0.986 22.9-145.6-134.9 128.2 51.5 42.6 -9.1 48 52 X A E -cd 76 98A 4 49,-2.3 51,-2.8 -2,-0.4 2,-0.4 -0.681 19.1-164.6 -86.0 145.1 54.1 45.0 -7.9 49 53 X V E +cd 77 99A 0 27,-2.7 29,-2.3 -2,-0.3 30,-0.6 -0.991 14.3 161.7-136.8 129.5 56.7 43.7 -5.5 50 54 X G E -cd 79 100A 0 49,-2.2 51,-2.8 -2,-0.4 2,-0.3 -0.896 15.5-157.2-134.6 169.6 59.2 45.5 -3.2 51 55 X R E -cd 80 101A 51 28,-2.1 30,-2.3 -2,-0.3 51,-0.2 -0.973 14.2-124.7-141.5 162.0 61.3 44.8 -0.2 52 56 X D - 0 0 3 49,-2.0 188,-0.1 -2,-0.3 152,-0.0 -0.163 44.1 -84.8 -91.6-165.8 63.0 46.7 2.7 53 57 X G S S+ 0 0 15 186,-0.3 151,-0.6 4,-0.1 49,-0.1 0.066 75.7 134.9 -92.8 22.7 66.7 46.7 3.7 54 58 X R > - 0 0 3 1,-0.1 3,-1.7 149,-0.1 151,-0.1 -0.340 66.8-116.0 -74.5 155.8 66.7 43.6 5.9 55 59 X L T 3 S+ 0 0 98 149,-0.3 4,-0.3 1,-0.3 -1,-0.1 0.796 116.7 47.4 -58.8 -33.7 69.4 41.0 5.7 56 60 X S T 3> S+ 0 0 16 52,-0.3 4,-2.5 1,-0.2 5,-0.3 0.419 87.8 96.2 -84.5 -5.4 67.0 38.4 4.5 57 61 X G H <> S+ 0 0 0 -3,-1.7 4,-2.8 1,-0.2 5,-0.3 0.922 79.0 47.1 -58.5 -56.2 65.4 40.7 1.9 58 62 X P H > S+ 0 0 66 0, 0.0 4,-1.3 0, 0.0 -1,-0.2 0.915 116.9 43.6 -55.4 -44.6 67.3 39.7 -1.3 59 63 X E H > S+ 0 0 128 -4,-0.3 4,-1.3 1,-0.2 -2,-0.2 0.924 118.2 41.9 -67.0 -49.1 66.8 36.0 -0.7 60 64 X L H X S+ 0 0 2 -4,-2.5 4,-2.6 1,-0.2 -1,-0.2 0.872 110.9 54.5 -70.6 -36.3 63.2 36.0 0.3 61 65 X V H X S+ 0 0 14 -4,-2.8 4,-2.9 -5,-0.3 5,-0.2 0.879 104.3 56.3 -66.0 -36.4 62.0 38.6 -2.3 62 66 X K H X S+ 0 0 126 -4,-1.3 4,-2.0 -5,-0.3 -1,-0.2 0.903 110.4 44.5 -59.3 -42.0 63.4 36.5 -5.1 63 67 X Q H X S+ 0 0 65 -4,-1.3 4,-2.6 2,-0.2 -2,-0.2 0.906 111.8 52.9 -68.7 -40.7 61.3 33.4 -3.8 64 68 X L H X S+ 0 0 0 -4,-2.6 4,-2.0 1,-0.2 -2,-0.2 0.942 110.6 47.7 -59.9 -47.9 58.2 35.7 -3.4 65 69 X I H X S+ 0 0 9 -4,-2.9 4,-2.9 1,-0.2 -1,-0.2 0.926 111.1 50.5 -61.5 -41.9 58.7 36.9 -7.0 66 70 X Q H X S+ 0 0 72 -4,-2.0 4,-2.7 1,-0.2 -1,-0.2 0.904 107.6 53.2 -65.6 -38.7 59.1 33.3 -8.3 67 71 X G H < S+ 0 0 0 -4,-2.6 4,-0.3 2,-0.2 -1,-0.2 0.903 111.8 45.5 -61.9 -40.5 56.0 32.1 -6.5 68 72 X L H ><>S+ 0 0 0 -4,-2.0 5,-1.9 1,-0.2 3,-1.5 0.928 113.3 49.7 -65.6 -46.2 54.0 34.9 -8.1 69 73 X V H ><5S+ 0 0 15 -4,-2.9 75,-2.0 1,-0.3 3,-1.9 0.897 102.9 61.5 -60.7 -39.0 55.5 34.2 -11.5 70 74 X D T 3<5S+ 0 0 48 -4,-2.7 72,-2.6 1,-0.3 -1,-0.3 0.554 100.3 54.6 -68.8 -8.2 54.7 30.5 -11.1 71 75 X C B < 5S-i 142 0C 5 -3,-1.5 70,-0.3 -4,-0.3 -1,-0.3 0.548 127.3 -98.8 -90.5 -14.4 51.0 31.3 -10.9 72 76 X G T < 5S+ 0 0 28 -3,-1.9 -3,-0.2 70,-0.6 71,-0.2 0.532 72.3 152.6 100.6 12.0 51.2 33.2 -14.2 73 77 X C < - 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