==== 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 16-MAY-03 1PCJ . COMPND 2 MOLECULE: PHOSPHOMANNOMUTASE; . SOURCE 2 ORGANISM_SCIENTIFIC: PSEUDOMONAS AERUGINOSA; . AUTHOR C.REGNI,P.A.TIPTON,L.J.BEAMER . 458 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 16809.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 332 72.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 45 9.8 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 . 24 5.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 50 10.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 134 29.3 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 0 1 3 1 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 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 6 X A 0 0 58 0, 0.0 2,-0.0 0, 0.0 132,-0.0 0.000 360.0 360.0 360.0 141.7 -49.5 12.7 1.2 2 7 X P - 0 0 35 0, 0.0 2,-0.9 0, 0.0 0, 0.0 -0.216 360.0 -91.6 -83.0 175.3 -50.8 12.8 4.9 3 8 X T - 0 0 125 -2,-0.0 23,-0.1 131,-0.0 3,-0.0 -0.777 43.0-166.5 -95.1 101.9 -49.1 11.8 8.1 4 9 X L - 0 0 17 -2,-0.9 2,-0.1 126,-0.1 18,-0.1 -0.575 30.4 -95.8 -85.9 149.1 -50.0 8.1 8.9 5 10 X P > - 0 0 48 0, 0.0 3,-0.7 0, 0.0 4,-0.2 -0.401 21.3-144.1 -66.2 136.8 -49.3 6.6 12.4 6 11 X A G > S+ 0 0 57 1,-0.2 3,-1.6 2,-0.1 124,-0.1 0.763 89.9 75.6 -69.3 -27.2 -46.1 4.6 12.7 7 12 X S G 3 S+ 0 0 77 1,-0.3 -1,-0.2 7,-0.0 8,-0.1 0.726 85.8 60.6 -64.4 -25.4 -47.6 2.1 15.1 8 13 X I G < S+ 0 0 1 -3,-0.7 7,-2.0 13,-0.1 2,-1.1 0.645 84.6 87.6 -76.0 -14.6 -49.5 0.2 12.3 9 14 X F B < +A 14 0A 11 -3,-1.6 5,-0.2 -4,-0.2 2,-0.1 -0.746 66.4 172.3 -89.3 98.7 -46.3 -0.6 10.5 10 15 X R - 0 0 71 3,-1.8 113,-0.1 -2,-1.1 116,-0.1 -0.378 46.5 -97.2-106.3 177.5 -45.3 -3.9 12.1 11 16 X A S S+ 0 0 13 408,-0.6 112,-2.9 1,-0.2 115,-0.2 0.841 118.7 26.1 -63.9 -36.7 -42.6 -6.5 11.7 12 17 X Y S S- 0 0 14 407,-0.3 2,-0.3 1,-0.2 -1,-0.2 0.694 130.7 -37.3-100.8 -28.7 -44.8 -9.0 9.7 13 18 X D S S- 0 0 1 100,-0.1 -3,-1.8 -5,-0.1 2,-0.4 -0.911 74.7 -64.6-175.4-172.3 -47.4 -6.7 8.0 14 19 X I E +AB 9 112A 1 98,-2.3 98,-2.3 -2,-0.3 2,-0.4 -0.901 49.1 176.4-104.6 132.5 -49.6 -3.6 8.6 15 20 X R E + B 0 111A 31 -7,-2.0 96,-0.3 -2,-0.4 2,-0.2 -0.993 9.5 147.2-142.3 129.4 -52.2 -3.9 11.3 16 21 X G E - B 0 110A 6 94,-2.9 94,-1.9 -2,-0.4 2,-0.5 -0.830 44.5-100.8-150.2-175.8 -54.6 -1.2 12.6 17 22 X V E > > - B 0 109A 21 -2,-0.2 5,-2.1 92,-0.2 3,-1.7 -0.983 39.1-122.3-120.7 121.1 -58.0 -0.2 14.0 18 23 X V B 3 5S+h 22 0B 34 90,-2.9 5,-0.2 -2,-0.5 3,-0.1 -0.415 98.7 19.7 -70.8 134.5 -60.6 1.2 11.6 19 24 X G T 3 5S+ 0 0 73 3,-1.8 -1,-0.3 1,-0.2 4,-0.1 0.079 132.5 47.6 91.9 -21.1 -61.8 4.7 12.6 20 25 X D T < 5S- 0 0 124 -3,-1.7 -1,-0.2 2,-0.3 -2,-0.2 0.605 130.0 -2.4-113.8 -93.5 -58.7 5.0 14.8 21 26 X T T 5S+ 0 0 34 -4,-0.5 2,-0.4 1,-0.2 -3,-0.2 0.535 128.9 54.6 -86.3 -4.5 -55.3 4.2 13.3 22 27 X L B < +h 18 0B 0 -5,-2.1 -3,-1.8 -18,-0.1 -2,-0.3 -0.958 63.2 163.4-135.3 115.3 -56.6 3.0 9.9 23 28 X T > - 0 0 56 -2,-0.4 4,-1.7 -5,-0.2 5,-0.1 -0.657 53.2 -98.4-116.6 177.4 -58.9 5.1 7.7 24 29 X A H > S+ 0 0 25 -2,-0.2 4,-1.8 1,-0.2 -1,-0.1 0.887 124.2 54.0 -59.5 -43.1 -59.9 5.0 4.0 25 30 X E H > S+ 0 0 107 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.852 106.3 52.3 -60.8 -37.8 -57.2 7.6 3.2 26 31 X T H > S+ 0 0 6 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.888 106.4 52.3 -69.4 -39.5 -54.6 5.5 4.9 27 32 X A H X S+ 0 0 0 -4,-1.7 4,-2.1 2,-0.2 -1,-0.2 0.885 108.4 53.8 -60.4 -39.8 -55.6 2.5 2.8 28 33 X Y H X S+ 0 0 29 -4,-1.8 4,-2.1 2,-0.2 -2,-0.2 0.954 111.7 41.5 -59.1 -53.3 -55.2 4.7 -0.3 29 34 X W H X S+ 0 0 42 -4,-2.0 4,-2.1 1,-0.2 -1,-0.2 0.817 111.9 55.1 -71.2 -30.2 -51.6 5.8 0.4 30 35 X I H X S+ 0 0 2 -4,-2.2 4,-2.5 2,-0.2 -1,-0.2 0.902 108.4 50.3 -64.6 -40.4 -50.6 2.3 1.5 31 36 X G H X S+ 0 0 0 -4,-2.1 4,-2.5 1,-0.2 -2,-0.2 0.906 109.6 50.9 -59.7 -43.1 -51.9 1.2 -1.9 32 37 X R H X S+ 0 0 29 -4,-2.1 4,-2.1 2,-0.2 107,-0.4 0.900 111.1 47.9 -60.0 -41.1 -49.8 3.9 -3.5 33 38 X A H X S+ 0 0 0 -4,-2.1 4,-2.1 2,-0.2 -2,-0.2 0.919 113.2 46.8 -70.2 -41.3 -46.7 2.8 -1.5 34 39 X I H X S+ 0 0 0 -4,-2.5 4,-2.6 2,-0.2 -2,-0.2 0.901 111.7 51.1 -66.8 -42.6 -47.1 -0.9 -2.4 35 40 X G H X S+ 0 0 0 -4,-2.5 4,-2.4 1,-0.2 -1,-0.2 0.924 110.5 49.6 -59.6 -44.1 -47.7 -0.1 -6.1 36 41 X S H X S+ 0 0 4 -4,-2.1 4,-2.0 1,-0.2 -2,-0.2 0.891 112.4 46.8 -62.9 -42.4 -44.6 2.0 -6.2 37 42 X E H X S+ 0 0 30 -4,-2.1 4,-1.2 2,-0.2 -1,-0.2 0.886 110.7 52.3 -69.8 -39.9 -42.5 -0.7 -4.6 38 43 X S H ><>S+ 0 0 0 -4,-2.6 5,-2.5 1,-0.2 3,-0.6 0.945 111.1 47.2 -60.2 -46.2 -43.9 -3.4 -6.9 39 44 X L H ><5S+ 0 0 59 -4,-2.4 3,-1.7 1,-0.2 -2,-0.2 0.862 106.3 57.0 -63.3 -38.1 -43.0 -1.2 -9.9 40 45 X A H 3<5S+ 0 0 69 -4,-2.0 -1,-0.2 1,-0.3 -2,-0.2 0.772 107.3 51.2 -63.7 -25.1 -39.5 -0.6 -8.6 41 46 X R T <<5S- 0 0 87 -4,-1.2 -1,-0.3 -3,-0.6 -2,-0.2 0.310 125.9-103.7 -93.5 9.2 -39.1 -4.4 -8.5 42 47 X G T < 5S+ 0 0 63 -3,-1.7 -3,-0.2 1,-0.1 -2,-0.1 0.637 85.1 120.2 83.4 18.8 -40.3 -4.7 -12.2 43 48 X E < + 0 0 28 -5,-2.5 -2,-0.2 -6,-0.2 -1,-0.1 -0.883 27.3 167.4-123.4 97.8 -43.8 -5.9 -11.4 44 49 X P + 0 0 39 0, 0.0 29,-2.3 0, 0.0 2,-0.5 0.659 59.4 86.8 -78.5 -12.4 -46.7 -3.8 -12.6 45 50 X C E +c 73 0A 7 27,-0.2 51,-1.0 -7,-0.1 2,-0.4 -0.773 53.1 172.5-103.9 125.2 -49.3 -6.6 -11.9 46 51 X V E -cd 74 96A 1 27,-2.1 29,-2.5 -2,-0.5 2,-0.3 -0.991 21.7-146.6-136.4 124.6 -50.8 -6.9 -8.4 47 52 X A E -cd 75 97A 4 49,-2.5 51,-2.7 -2,-0.4 2,-0.4 -0.662 15.9-160.8 -85.0 147.8 -53.6 -9.1 -7.0 48 53 X V E +cd 76 98A 0 27,-2.7 29,-2.1 -2,-0.3 30,-0.5 -0.993 13.5 170.4-132.8 126.6 -55.9 -7.7 -4.3 49 54 X G E -cd 78 99A 1 49,-2.1 51,-2.6 -2,-0.4 2,-0.3 -0.836 11.6-161.4-123.0 165.3 -58.1 -9.7 -1.9 50 55 X R E -cd 79 100A 54 28,-1.8 30,-2.3 -2,-0.3 51,-0.2 -0.984 13.6-130.3-141.9 155.9 -60.1 -8.8 1.2 51 56 X D - 0 0 1 49,-1.9 188,-0.1 -2,-0.3 152,-0.1 -0.089 44.1 -82.9 -89.7-165.6 -61.6 -10.9 4.1 52 57 X G S S+ 0 0 12 186,-0.3 151,-0.2 4,-0.1 2,-0.1 -0.005 77.1 135.8 -94.0 30.4 -65.2 -10.7 5.4 53 58 X R > - 0 0 5 1,-0.1 3,-1.2 149,-0.1 151,-0.1 -0.386 64.9-119.9 -80.4 156.3 -64.7 -7.7 7.7 54 59 X L T 3 S+ 0 0 101 149,-0.3 4,-0.3 53,-0.3 -1,-0.1 0.864 115.5 49.5 -63.1 -36.4 -67.3 -4.9 7.9 55 60 X S T 3> S+ 0 0 16 52,-0.3 4,-2.3 54,-0.2 5,-0.3 0.499 86.1 97.1 -80.3 -5.4 -64.6 -2.4 6.8 56 61 X G H <> S+ 0 0 0 -3,-1.2 4,-2.5 1,-0.2 5,-0.2 0.920 80.1 46.8 -50.7 -62.9 -63.6 -4.5 3.8 57 62 X P H > S+ 0 0 70 0, 0.0 4,-1.3 0, 0.0 -1,-0.2 0.871 115.8 45.5 -49.3 -44.8 -65.6 -2.9 1.0 58 63 X E H > S+ 0 0 118 -4,-0.3 4,-0.9 1,-0.2 -2,-0.2 0.922 118.7 38.9 -69.0 -47.9 -64.6 0.7 2.0 59 64 X L H X S+ 0 0 0 -4,-2.3 4,-2.1 1,-0.2 -1,-0.2 0.812 110.6 59.2 -75.5 -27.6 -60.9 0.1 2.5 60 65 X V H X S+ 0 0 14 -4,-2.5 4,-2.6 -5,-0.3 5,-0.2 0.882 101.3 53.7 -74.0 -36.9 -60.4 -2.3 -0.4 61 66 X K H X S+ 0 0 52 -4,-1.3 4,-2.1 -5,-0.2 -1,-0.2 0.875 111.7 46.9 -59.5 -38.3 -61.7 0.3 -3.0 62 67 X Q H X S+ 0 0 67 -4,-0.9 4,-1.9 2,-0.2 -2,-0.2 0.866 110.4 51.5 -71.6 -39.7 -59.1 2.8 -1.7 63 68 X L H X S+ 0 0 0 -4,-2.1 4,-1.9 2,-0.2 -2,-0.2 0.958 112.5 46.9 -58.8 -50.1 -56.3 0.1 -1.7 64 69 X I H X S+ 0 0 14 -4,-2.6 4,-3.0 1,-0.2 5,-0.2 0.914 110.9 51.4 -59.0 -44.9 -57.1 -0.7 -5.3 65 70 X Q H X S+ 0 0 90 -4,-2.1 4,-2.1 1,-0.2 -1,-0.2 0.839 107.2 53.3 -63.4 -34.8 -57.2 3.0 -6.3 66 71 X G H < S+ 0 0 0 -4,-1.9 -1,-0.2 2,-0.2 -2,-0.2 0.903 111.3 46.9 -67.2 -40.2 -53.8 3.7 -4.8 67 72 X L H ><>S+ 0 0 0 -4,-1.9 3,-1.7 1,-0.2 5,-1.7 0.945 112.8 47.2 -65.5 -48.7 -52.4 0.8 -6.8 68 73 X V H ><5S+ 0 0 16 -4,-3.0 75,-1.8 1,-0.3 3,-1.7 0.871 103.7 63.9 -64.0 -31.5 -54.0 1.9 -10.1 69 74 X D T 3<5S+ 0 0 50 -4,-2.1 72,-1.8 1,-0.3 -1,-0.3 0.521 99.5 54.2 -70.4 -6.1 -52.8 5.5 -9.4 70 75 X C B < 5S-i 141 0C 5 -3,-1.7 70,-0.3 70,-0.3 -1,-0.3 0.542 127.1 -99.1 -91.8 -15.5 -49.2 4.2 -9.7 71 76 X G T < 5S+ 0 0 25 -3,-1.7 -3,-0.2 70,-0.6 71,-0.2 0.493 73.1 152.7 102.2 10.4 -49.9 2.7 -13.1 72 77 X C < - 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