==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=21-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ISOMERASE 27-JUL-05 2AGM . COMPND 2 MOLECULE: POLY(BETA-D-MANNURONATE) C5 EPIMERASE 4; . SOURCE 2 ORGANISM_SCIENTIFIC: AZOTOBACTER VINELANDII; . AUTHOR F.L.AACHMANN,B.I.SVANEM,P.GUNTERT,S.B.PETERSEN,S.VALLA, . 167 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11084.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 84 50.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 31 18.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 11 6.6 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 1.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.6 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 . 22 13.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 5 3.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 3 1.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 0 0.0 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 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 2 5 0 0 0 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 . 1 1 0 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 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 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 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 1 A G 0 0 115 0, 0.0 2,-1.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -90.8 -21.9 4.1 -9.3 2 2 A S + 0 0 115 2,-0.0 2,-0.3 20,-0.0 20,-0.0 -0.847 360.0 129.8 -87.5 95.6 -19.6 7.0 -8.5 3 3 A D + 0 0 132 -2,-1.1 2,-0.3 2,-0.0 0, 0.0 -0.914 21.8 63.0-143.1 172.5 -21.3 8.2 -5.3 4 4 A G S S- 0 0 48 -2,-0.3 19,-0.2 19,-0.1 17,-0.1 -0.761 90.7 -39.3 110.2-157.5 -20.5 9.1 -1.7 5 5 A E - 0 0 141 17,-1.5 2,-0.4 -2,-0.3 -1,-0.0 -0.794 50.9-171.0-114.5 84.4 -18.3 11.8 -0.0 6 6 A P - 0 0 81 0, 0.0 2,-0.7 0, 0.0 19,-0.2 -0.647 12.8-151.0 -74.5 130.0 -15.0 12.4 -2.0 7 7 A L E +a 25 0A 81 17,-1.1 19,-3.0 -2,-0.4 2,-0.7 -0.895 18.1 177.1-109.2 101.5 -12.8 14.7 0.1 8 8 A V E +a 26 0A 117 -2,-0.7 19,-0.2 17,-0.2 2,-0.1 -0.918 44.1 89.3-105.3 101.4 -10.5 16.7 -2.1 9 9 A G E + 0 0 39 17,-2.6 19,-0.2 -2,-0.7 18,-0.1 -0.271 22.0 129.1 162.1 114.8 -8.5 19.0 0.2 10 10 A G E +a 28 0A 9 17,-1.1 19,-1.6 -2,-0.1 22,-0.1 -0.471 19.1 141.0-177.7 82.2 -5.2 18.7 2.1 11 11 A D S S+ 0 0 135 1,-0.2 2,-0.4 17,-0.2 17,-0.1 0.345 71.0 49.9-109.1 -7.5 -3.0 21.8 1.5 12 12 A T S S- 0 0 100 15,-0.0 -1,-0.2 18,-0.0 18,-0.1 -0.987 104.5 -91.1-137.3 127.3 -1.7 22.0 5.1 13 13 A D + 0 0 128 -2,-0.4 2,-0.3 -3,-0.1 19,-0.1 -0.007 69.7 112.7 -45.6 135.8 -0.3 18.9 6.9 14 14 A D - 0 0 124 -4,-0.1 19,-1.7 2,-0.0 2,-0.4 -0.882 66.5 -74.7-175.7-163.1 -2.7 16.8 9.0 15 15 A Q E -g 33 0B 93 -2,-0.3 2,-0.4 17,-0.2 19,-0.2 -0.985 40.7-169.3-121.0 129.7 -4.3 13.3 9.0 16 16 A L E -g 34 0B 16 17,-2.4 19,-1.7 -2,-0.4 2,-0.3 -0.987 5.3-177.3-125.4 132.3 -7.1 12.5 6.5 17 17 A Q E -g 35 0B 105 -2,-0.4 19,-0.2 17,-0.2 3,-0.1 -0.974 28.8-156.4-134.4 145.7 -9.4 9.4 6.6 18 18 A G - 0 0 10 17,-2.6 2,-1.3 -2,-0.3 19,-0.2 0.895 27.0-168.0 -80.7 -42.0 -12.2 8.0 4.5 19 19 A G - 0 0 31 16,-0.4 19,-2.7 2,-0.1 2,-0.3 -0.693 52.2 -37.8 88.8 -82.9 -13.6 5.9 7.4 20 20 A S S S+ 0 0 72 -2,-1.3 2,-0.5 17,-0.3 19,-0.2 -0.938 100.9 42.0-168.5 161.8 -16.0 3.7 5.5 21 21 A G S S- 0 0 42 17,-0.3 19,-1.1 -2,-0.3 2,-0.3 -0.929 110.8 -25.3 102.1-128.3 -18.4 3.6 2.6 22 22 A A S S+ 0 0 36 -2,-0.5 -17,-1.5 17,-0.1 2,-0.5 -0.805 79.9 147.9-122.8 93.3 -17.6 5.4 -0.7 23 23 A D - 0 0 34 -2,-0.3 2,-0.9 13,-0.2 19,-0.4 -0.970 28.6-165.8-134.3 105.8 -15.1 8.2 0.3 24 24 A R - 0 0 95 -2,-0.5 -17,-1.1 17,-0.1 2,-0.4 -0.846 16.6-166.9 -94.2 101.2 -12.4 9.1 -2.2 25 25 A L E +ab 7 43A 2 -2,-0.9 19,-1.1 17,-0.7 2,-0.3 -0.738 14.4 169.7 -97.1 138.3 -9.9 11.1 -0.2 26 26 A D E -ab 8 44A 45 -19,-3.0 -17,-2.6 -2,-0.4 19,-0.2 -0.948 16.6-170.6-147.3 112.4 -7.3 13.2 -1.9 27 27 A G E - 0 0 7 18,-1.2 -17,-1.1 17,-0.6 19,-0.2 0.987 24.6-149.1 -67.8 -66.3 -5.1 15.7 -0.0 28 28 A G E +ab 10 46A 31 17,-2.4 19,-2.6 -19,-0.2 2,-0.3 -0.429 63.8 9.2 130.0 -62.5 -3.4 17.4 -3.0 29 29 A A S S+ 0 0 59 -19,-1.6 2,-0.3 17,-0.2 19,-0.2 -0.857 90.9 68.1-154.0 118.9 0.1 18.5 -2.0 30 30 A G S S- 0 0 26 17,-0.4 19,-1.5 -2,-0.3 16,-0.1 -0.960 79.9 -82.2 173.2-162.9 1.9 17.8 1.2 31 31 A D S S+ 0 0 104 -2,-0.3 19,-0.1 17,-0.2 2,-0.1 -0.526 78.3 142.4-135.2 42.3 3.8 15.5 3.7 32 32 A D - 0 0 3 -22,-0.1 19,-1.7 -19,-0.1 2,-0.4 -0.272 52.3-123.4 -87.2 166.7 0.3 14.5 5.0 33 33 A I E -gh 15 51B 64 -19,-1.7 -17,-2.4 17,-0.2 2,-0.3 -0.996 30.2-176.8-120.3 123.9 -0.9 11.1 6.2 34 34 A L E -gh 16 52B 7 17,-2.5 19,-3.1 -2,-0.4 2,-0.3 -0.899 11.4-166.0-124.3 152.0 -4.0 9.6 4.5 35 35 A D E -g 17 0B 47 -19,-1.7 -17,-2.6 -2,-0.3 -16,-0.4 -0.955 14.1-153.4-141.7 120.0 -6.1 6.4 5.2 36 36 A G - 0 0 3 17,-0.4 -13,-0.2 -2,-0.3 6,-0.1 0.644 36.2-160.6 -66.0 -19.8 -8.7 4.9 2.7 37 37 A G - 0 0 16 -19,-0.2 -17,-0.3 -17,-0.1 4,-0.3 -0.129 30.6 -32.5 68.4-172.1 -10.8 3.2 5.5 38 38 A A S S+ 0 0 10 -19,-2.7 -17,-0.3 2,-0.1 2,-0.3 -0.176 99.9 43.3 -74.4 171.3 -13.3 0.3 5.2 39 39 A G S S- 0 0 9 19,-0.4 2,-0.5 -19,-0.2 -17,-0.1 -0.664 112.1 -45.4 89.2-152.8 -15.6 -0.5 2.3 40 40 A R S S+ 0 0 103 -19,-1.1 2,-0.2 -2,-0.3 30,-0.1 -0.882 82.4 157.9-117.3 98.2 -14.5 -0.4 -1.3 41 41 A D - 0 0 8 -2,-0.5 30,-1.2 -4,-0.3 2,-0.3 -0.691 34.3-142.0-132.1 163.3 -12.5 2.9 -1.6 42 42 A R E - c 0 71A 96 -19,-0.4 -17,-0.7 -2,-0.2 2,-0.3 -0.982 17.3-174.1-120.9 146.5 -9.8 4.7 -3.6 43 43 A L E +bc 25 72A 6 28,-1.7 30,-2.6 -2,-0.3 2,-0.3 -0.966 15.5 175.6-143.4 150.4 -7.0 7.1 -2.4 44 44 A S E -b 26 0A 19 -19,-1.1 -17,-0.6 -2,-0.3 30,-0.1 -0.928 18.3-155.5-149.4 120.5 -4.3 9.3 -3.9 45 45 A G E - 0 0 3 28,-0.4 -17,-2.4 -2,-0.3 -18,-1.2 0.983 42.9-124.2 -67.7 -49.3 -2.3 11.4 -1.5 46 46 A G E -b 28 0A 29 -19,-0.2 2,-1.1 2,-0.1 -1,-0.3 -0.936 51.0 -28.4 135.2-164.9 -1.4 14.0 -4.1 47 47 A A S S+ 0 0 82 -19,-2.6 -17,-0.4 -2,-0.3 2,-0.3 -0.776 109.3 66.7 -83.4 103.7 1.9 15.4 -5.5 48 48 A G S S- 0 0 13 -2,-1.1 2,-0.6 -19,-0.2 32,-0.2 -0.959 99.9 -68.1 172.5-169.9 4.1 15.0 -2.4 49 49 A A + 0 0 12 -19,-1.5 31,-0.2 -2,-0.3 -2,-0.1 -0.702 68.1 177.5-107.4 68.8 5.8 12.6 -0.0 50 50 A D - 0 0 2 -2,-0.6 31,-2.8 -4,-0.2 2,-0.5 -0.195 30.0-129.4 -76.2 165.4 2.5 11.3 1.5 51 51 A T E -hi 33 81B 34 -19,-1.7 -17,-2.5 29,-0.2 2,-1.2 -0.948 11.9-154.2-121.7 103.9 2.0 8.6 4.0 52 52 A F E -hi 34 82B 2 29,-2.9 31,-2.2 -2,-0.5 2,-0.4 -0.717 19.4-158.8 -81.8 95.8 -0.5 6.0 3.0 53 53 A V E + i 0 83B 32 -19,-3.1 -17,-0.4 -2,-1.2 2,-0.3 -0.688 18.6 169.3 -80.8 133.9 -1.6 4.8 6.5 54 54 A F + 0 0 18 29,-1.0 32,-0.3 -2,-0.4 33,-0.1 -0.984 13.6 162.0-144.0 133.9 -3.3 1.3 6.6 55 55 A S - 0 0 64 -2,-0.3 -1,-0.1 29,-0.1 29,-0.0 0.376 43.5-130.3-137.8 6.2 -4.0 -0.5 9.8 56 56 A A S S+ 0 0 35 1,-0.1 -2,-0.0 -19,-0.1 -18,-0.0 0.820 74.0 120.9 39.3 42.6 -6.6 -3.2 8.8 57 57 A R S S+ 0 0 217 3,-0.0 -1,-0.1 -19,-0.0 3,-0.0 0.642 97.0 17.0 -89.3 -35.0 -8.8 -2.2 11.7 58 58 A E S S+ 0 0 113 -20,-0.0 -19,-0.4 2,-0.0 2,-0.2 0.651 121.1 72.1-105.8 -38.6 -11.4 -1.5 8.9 59 59 A D + 0 0 19 1,-0.2 -21,-0.1 -21,-0.1 10,-0.1 -0.516 48.2 143.3 -82.3 149.2 -9.8 -3.4 6.0 60 60 A S - 0 0 61 8,-0.3 2,-0.3 1,-0.2 -1,-0.2 0.285 56.3 -53.8-146.3 -74.1 -9.9 -7.2 6.1 61 61 A Y - 0 0 96 64,-0.1 2,-0.3 7,-0.0 64,-0.3 -0.972 41.8-103.8-166.5 178.0 -10.3 -9.0 2.7 62 62 A R B -K 124 0C 71 62,-2.5 62,-2.2 -2,-0.3 5,-0.3 -0.846 29.3-169.2-116.1 152.1 -12.4 -9.4 -0.5 63 63 A T - 0 0 42 3,-2.1 3,-0.3 -2,-0.3 58,-0.1 -0.819 39.7 -96.2-133.4 172.9 -14.9 -12.1 -1.3 64 64 A D S S+ 0 0 150 56,-0.3 3,-0.2 -2,-0.3 57,-0.1 0.863 125.1 31.2 -63.4 -34.9 -16.8 -13.3 -4.4 65 65 A T S S+ 0 0 139 1,-0.2 2,-0.2 -3,-0.0 -1,-0.2 0.430 128.4 37.7-103.4 -2.7 -20.0 -11.3 -3.4 66 66 A A - 0 0 39 -3,-0.3 -3,-2.1 2,-0.0 2,-0.6 -0.758 61.8-172.1-153.6 99.3 -18.3 -8.5 -1.5 67 67 A V + 0 0 55 -5,-0.3 -5,-0.2 -2,-0.2 -3,-0.0 -0.858 12.1 168.1 -94.3 123.2 -15.0 -6.8 -2.6 68 68 A F + 0 0 100 -2,-0.6 2,-0.3 -7,-0.2 -8,-0.3 -0.350 26.2 151.2-123.6 35.8 -13.7 -4.4 -0.0 69 69 A N - 0 0 24 -10,-0.1 58,-0.2 -29,-0.1 2,-0.1 -0.663 44.9-125.1 -78.0 136.4 -10.3 -4.1 -1.7 70 70 A D - 0 0 13 -2,-0.3 58,-1.8 56,-0.2 2,-0.4 -0.386 18.8-153.1 -74.7 147.2 -8.3 -0.8 -1.3 71 71 A L E -cd 42 128A 19 -30,-1.2 -28,-1.7 56,-0.2 2,-0.3 -0.892 3.8-159.3-130.5 105.2 -7.2 0.9 -4.5 72 72 A I E -cd 43 129A 7 56,-2.2 58,-2.5 -2,-0.4 2,-0.3 -0.666 15.3-155.1 -84.2 131.5 -4.1 3.1 -4.3 73 73 A L E - 0 0 56 -30,-2.6 -28,-0.4 -2,-0.3 58,-0.1 -0.786 57.2 -1.8-108.9 158.6 -3.8 5.7 -7.1 74 74 A D E S- 0 0 84 -2,-0.3 2,-0.2 57,-0.2 57,-0.2 0.668 75.5-168.0 31.9 46.4 -0.9 7.6 -8.8 75 75 A F E - d 0 131A 0 55,-1.5 58,-1.3 -3,-0.2 57,-1.2 -0.377 13.4-166.5 -63.4 125.8 1.8 6.1 -6.6 76 76 A E >> - 0 0 49 -2,-0.2 3,-2.2 -28,-0.1 4,-2.1 -0.874 4.7-166.9-113.8 96.3 5.3 7.8 -6.8 77 77 A A T 34 S+ 0 0 20 57,-0.9 -1,-0.1 -2,-0.6 61,-0.1 0.655 85.2 68.9 -58.8 -16.2 7.8 5.4 -5.1 78 78 A S T 34 S+ 0 0 86 56,-0.1 -1,-0.3 -3,-0.0 -29,-0.1 0.776 125.1 2.7 -74.1 -22.4 10.3 8.4 -5.2 79 79 A E T <4 S+ 0 0 93 -3,-2.2 -2,-0.2 -31,-0.1 -30,-0.1 0.708 106.8 91.3-127.6 -50.4 8.2 10.3 -2.6 80 80 A D < - 0 0 4 -4,-2.1 2,-0.3 -32,-0.2 -29,-0.2 -0.164 50.9-171.5 -57.3 142.6 5.2 8.3 -1.3 81 81 A R E -i 51 0B 117 -31,-2.8 -29,-2.9 56,-0.1 2,-0.4 -0.861 10.2-142.4-131.7 166.1 5.5 6.1 1.7 82 82 A I E -ij 52 142B 8 59,-1.3 61,-2.1 -2,-0.3 2,-1.3 -0.992 14.5-135.4-139.6 131.2 3.3 3.5 3.5 83 83 A D E +i 53 0B 39 -31,-2.2 -29,-1.0 -2,-0.4 3,-0.1 -0.729 48.9 144.8 -83.9 95.6 2.5 2.6 7.1 84 84 A L + 0 0 46 -2,-1.3 -1,-0.1 -31,-0.1 -29,-0.1 -0.525 22.4 117.9-130.6 54.2 2.8 -1.2 6.7 85 85 A S S S+ 0 0 56 1,-0.1 -1,-0.1 57,-0.0 -30,-0.1 0.857 90.2 26.9 -87.7 -44.4 4.3 -2.2 10.1 86 86 A A S S+ 0 0 89 -32,-0.3 2,-0.5 -3,-0.1 3,-0.1 0.369 118.9 67.9 -96.6 -3.0 1.4 -4.3 11.3 87 87 A L S S+ 0 0 23 1,-0.2 -1,-0.1 -33,-0.1 -33,-0.0 -0.995 98.1 22.4-120.1 121.3 0.3 -5.1 7.8 88 88 A G S S- 0 0 30 -2,-0.5 -1,-0.2 11,-0.1 12,-0.1 0.813 75.3-129.1 87.9 103.5 2.5 -7.3 5.7 89 89 A F - 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