==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=23-NOV-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ISOMERASE 15-JAN-12 4DBF . COMPND 2 MOLECULE: 2-HYDROXYHEPTA-2,4-DIENE-1,7-DIOATE ISOMERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: CORYNEBACTERIUM GLUTAMICUM; . AUTHOR T.T.RAN,D.Q.XU,W.W.WANG,Y.Y.GAO,M.T.WANG . 515 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 20520.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 345 67.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 22 4.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 163 31.7 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, 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 . 2 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 0.8 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 . 1 0.2 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 . 50 9.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 56 10.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 34 6.6 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 2 0 2 0 2 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 . 0 2 4 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 . 7 4 5 2 6 3 3 2 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 . 4 2 2 0 0 0 0 0 0 2 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 0 A H 0 0 167 0, 0.0 2,-0.2 0, 0.0 169,-0.1 0.000 360.0 360.0 360.0 -75.7 -22.4 -25.0 -10.1 2 1 A M - 0 0 20 166,-0.0 167,-2.3 17,-0.0 2,-0.5 -0.607 360.0-140.2-104.3 156.4 -23.6 -22.5 -12.6 3 2 A R E -A 168 0A 37 15,-0.5 15,-2.4 -2,-0.2 2,-0.4 -0.960 29.8-163.0-100.6 124.0 -26.1 -19.7 -13.1 4 3 A F E +AB 167 17A 9 163,-2.1 163,-2.9 -2,-0.5 2,-0.2 -0.921 15.4 161.3-112.4 135.7 -27.6 -19.8 -16.6 5 4 A G E - B 0 16A 1 11,-2.5 11,-2.1 -2,-0.4 2,-0.4 -0.774 34.3-122.4-134.2-179.6 -29.4 -17.1 -18.4 6 5 A R E -CB 56 15A 28 50,-0.5 50,-2.9 -2,-0.2 2,-0.3 -0.989 34.3-173.7-124.1 139.6 -30.5 -16.0 -21.8 7 6 A I E -CB 55 14A 0 7,-2.5 7,-1.8 -2,-0.4 2,-0.4 -0.956 25.9-136.8-133.7 153.3 -29.5 -12.6 -23.0 8 7 A A E +CB 54 13A 26 46,-2.1 46,-2.0 -2,-0.3 5,-0.2 -0.914 33.1 175.5-100.8 135.1 -30.0 -10.1 -25.7 9 8 A T E > - B 0 12A 17 3,-2.7 3,-2.0 -2,-0.4 44,-0.1 -0.835 49.8 -94.1-130.3 171.4 -26.8 -8.5 -26.9 10 9 A P T 3 S+ 0 0 119 0, 0.0 3,-0.1 0, 0.0 43,-0.0 0.750 128.5 49.6 -59.8 -19.6 -25.9 -6.1 -29.7 11 10 A D T 3 S- 0 0 114 1,-0.3 2,-0.3 0, 0.0 -3,-0.0 0.479 124.4 -90.8 -97.8 -2.7 -25.1 -9.2 -31.7 12 11 A G E < -B 9 0A 39 -3,-2.0 -3,-2.7 2,-0.0 -1,-0.3 -0.867 60.7 -39.1 125.2-159.8 -28.3 -11.1 -31.0 13 12 A M E +B 8 0A 122 -2,-0.3 2,-0.3 -5,-0.2 -5,-0.2 -0.800 54.5 155.6-108.6 149.5 -29.5 -13.6 -28.4 14 13 A C E -B 7 0A 17 -7,-1.8 -7,-2.5 -2,-0.3 2,-0.3 -0.968 42.0 -98.5-156.5 165.7 -27.7 -16.4 -26.7 15 14 A F E +B 6 0A 36 20,-0.4 18,-2.1 18,-0.4 2,-0.3 -0.647 48.8 173.7 -77.8 148.6 -27.5 -18.6 -23.7 16 15 A C E -BD 5 32A 1 -11,-2.1 -11,-2.5 16,-0.3 2,-0.4 -0.976 33.9-118.5-153.7 166.2 -24.9 -17.7 -21.2 17 16 A S E -BD 4 31A 0 14,-2.2 14,-2.6 -2,-0.3 2,-0.5 -0.882 27.4-138.9-108.9 143.6 -23.5 -18.3 -17.8 18 17 A I E - D 0 30A 3 -15,-2.4 -15,-0.5 -2,-0.4 2,-0.3 -0.931 26.5-173.6-110.7 120.3 -23.6 -15.6 -15.3 19 18 A E E + D 0 29A 58 10,-2.8 10,-2.4 -2,-0.5 2,-0.2 -0.891 28.9 54.9-127.7 145.2 -20.4 -15.2 -13.3 20 19 A G S S- 0 0 39 -2,-0.3 2,-0.4 8,-0.2 8,-0.1 -0.702 77.6 -52.1 127.8 177.6 -19.2 -13.1 -10.3 21 20 A E S S- 0 0 167 6,-0.3 3,-0.4 -2,-0.2 6,-0.1 -0.701 87.6 -6.4 -97.0 141.7 -20.2 -12.4 -6.8 22 21 A G S S- 0 0 47 -2,-0.4 0, 0.0 1,-0.2 0, 0.0 -0.315 86.8 -73.0 86.8-162.9 -23.5 -11.3 -5.5 23 22 A D S S+ 0 0 68 -2,-0.1 2,-0.7 227,-0.0 -1,-0.2 0.255 88.9 120.8-116.0 -0.0 -26.6 -10.2 -7.1 24 23 A D > - 0 0 81 -3,-0.4 3,-2.4 1,-0.2 4,-0.4 -0.639 53.1-155.5 -87.1 113.9 -25.1 -7.0 -8.2 25 24 A V G > S+ 0 0 59 -2,-0.7 3,-0.8 1,-0.3 26,-0.6 0.728 90.4 65.6 -60.6 -27.8 -25.2 -6.6 -11.9 26 25 A A G 3 S+ 0 0 72 1,-0.2 -1,-0.3 24,-0.1 -2,-0.1 0.755 107.8 43.0 -62.6 -22.7 -22.3 -4.2 -11.9 27 26 A N G < S+ 0 0 107 -3,-2.4 -6,-0.3 -6,-0.1 2,-0.2 0.492 98.8 90.2-103.4 -2.3 -20.2 -7.0 -10.7 28 27 A L < - 0 0 2 -3,-0.8 22,-2.3 -4,-0.4 23,-0.4 -0.633 54.7-154.9-103.2 155.9 -21.4 -9.8 -12.9 29 28 A T E -DE 19 49A 50 -10,-2.4 -10,-2.8 20,-0.3 2,-0.5 -0.970 9.6-140.4-127.9 138.9 -20.3 -11.0 -16.3 30 29 A A E -DE 18 48A 0 18,-3.2 18,-2.1 -2,-0.4 2,-0.5 -0.889 15.2-166.1 -99.8 129.3 -22.2 -12.9 -19.0 31 30 A R E -DE 17 47A 77 -14,-2.6 -14,-2.2 -2,-0.5 16,-0.2 -0.953 20.7-127.1-119.0 114.2 -20.3 -15.6 -20.8 32 31 A E E -D 16 0A 22 14,-2.0 12,-1.6 -2,-0.5 13,-0.5 -0.299 24.7-153.0 -60.3 135.3 -21.8 -17.0 -24.0 33 32 A I E - E 0 43A 4 -18,-2.1 2,-0.5 10,-0.2 -18,-0.4 -0.838 22.6-105.4-108.9 153.8 -22.2 -20.7 -24.1 34 33 A E S S- 0 0 105 8,-3.7 8,-0.4 -2,-0.3 2,-0.0 -0.606 82.3 -37.7 -70.6 119.1 -22.3 -23.0 -27.1 35 34 A G S S- 0 0 55 -2,-0.5 -20,-0.4 6,-0.1 -2,-0.2 -0.347 107.2 -15.0 69.5-141.1 -25.9 -24.0 -27.6 36 35 A T > - 0 0 60 -22,-0.1 3,-0.7 -2,-0.0 -2,-0.1 -0.604 57.9-115.2-105.5 164.0 -28.2 -24.7 -24.7 37 36 A P T 3 S+ 0 0 2 0, 0.0 -2,-0.1 0, 0.0 -1,-0.0 0.380 91.3 89.7 -78.1 4.4 -27.6 -25.3 -21.0 38 37 A F T 3 S+ 0 0 63 2,-0.1 2,-0.1 183,-0.0 -3,-0.0 0.800 86.2 46.9 -79.4 -25.0 -28.7 -28.9 -20.8 39 38 A T S < S- 0 0 92 -3,-0.7 0, 0.0 1,-0.2 0, 0.0 -0.346 116.0 -60.0 -95.6-178.6 -25.4 -30.5 -21.6 40 39 A E S S- 0 0 184 -2,-0.1 2,-0.3 1,-0.1 -1,-0.2 -0.502 71.8-126.4 -59.9 120.9 -22.0 -29.9 -20.3 41 40 A P - 0 0 37 0, 0.0 2,-0.4 0, 0.0 -6,-0.1 -0.603 22.6-159.7 -83.6 139.4 -21.7 -26.3 -21.4 42 41 A K - 0 0 110 -8,-0.4 -8,-3.7 -2,-0.3 2,-0.2 -0.967 15.4-130.1-118.8 131.9 -18.9 -25.0 -23.4 43 42 A F E -E 33 0A 59 -2,-0.4 -10,-0.2 -10,-0.2 -11,-0.1 -0.491 4.7-156.1 -76.3 141.0 -17.9 -21.3 -23.6 44 43 A T E - 0 0 54 -12,-1.6 -1,-0.1 2,-0.2 -11,-0.1 0.585 45.9-110.1 -89.9 -14.0 -17.5 -19.7 -27.0 45 44 A G E S+ 0 0 55 -13,-0.5 2,-0.2 1,-0.4 -12,-0.1 -0.022 79.8 120.0 106.0 -29.7 -15.2 -17.1 -25.7 46 45 A R E + 0 0 100 -14,-0.1 -14,-2.0 -15,-0.1 -1,-0.4 -0.478 35.8 167.1 -70.2 139.0 -17.5 -14.1 -26.0 47 46 A E E -E 31 0A 109 -16,-0.2 -16,-0.2 -2,-0.2 -31,-0.0 -0.975 17.8-167.8-148.6 161.1 -18.4 -12.2 -22.9 48 47 A W E -E 30 0A 39 -18,-2.1 -18,-3.2 -2,-0.3 2,-0.1 -0.991 35.9-103.3-143.5 144.7 -20.0 -9.0 -21.7 49 48 A P E > -E 29 0A 56 0, 0.0 3,-1.9 0, 0.0 -20,-0.3 -0.506 41.7-120.9 -56.7 138.3 -20.3 -7.2 -18.5 50 49 A L G > S+ 0 0 5 -22,-2.3 3,-1.5 -25,-0.3 -24,-0.1 0.833 110.8 63.5 -58.8 -36.2 -23.9 -7.9 -17.4 51 50 A K G 3 S+ 0 0 140 -26,-0.6 -1,-0.3 -23,-0.4 -25,-0.1 0.666 98.0 56.9 -58.1 -22.2 -24.7 -4.2 -17.4 52 51 A D G < S+ 0 0 84 -3,-1.9 -1,-0.2 2,-0.0 2,-0.2 0.357 108.1 47.1 -95.2 0.6 -24.1 -4.1 -21.2 53 52 A V S < S- 0 0 19 -3,-1.5 2,-0.4 -4,-0.2 -44,-0.2 -0.766 81.4-114.1-129.2-177.7 -26.6 -6.7 -22.1 54 53 A R E -C 8 0A 187 -46,-2.0 -46,-2.1 -2,-0.2 2,-0.1 -0.987 20.5-129.0-126.9 115.2 -30.2 -7.5 -21.2 55 54 A L E -C 7 0A 31 -2,-0.4 -48,-0.2 -48,-0.2 2,-0.2 -0.428 27.5-171.0 -61.8 137.8 -31.5 -10.5 -19.3 56 55 A L E -C 6 0A 32 -50,-2.9 -50,-0.5 109,-0.1 33,-0.0 -0.691 46.6 -62.9-113.0 172.8 -34.3 -12.4 -21.0 57 56 A A - 0 0 6 -2,-0.2 107,-0.2 1,-0.1 33,-0.1 -0.427 54.7-128.6 -52.1 130.0 -36.5 -15.2 -19.7 58 57 A P S S+ 0 0 1 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.604 82.5 24.3 -69.4 -11.6 -33.9 -17.9 -19.1 59 58 A M - 0 0 8 -53,-0.1 -53,-0.1 104,-0.1 104,-0.1 -0.979 60.9-139.1-142.5 161.3 -35.9 -20.5 -21.0 60 59 A L - 0 0 126 -2,-0.3 163,-0.1 163,-0.0 2,-0.0 -0.811 41.1-157.0-114.3 83.7 -38.4 -20.8 -23.7 61 60 A P - 0 0 6 0, 0.0 162,-0.1 0, 0.0 3,-0.1 -0.371 24.0-139.7 -70.5 145.7 -40.4 -23.6 -22.1 62 61 A S S S- 0 0 40 159,-0.2 2,-0.3 1,-0.2 161,-0.1 0.831 89.9 -6.3 -66.3 -36.0 -42.6 -26.0 -24.1 63 62 A K - 0 0 5 157,-0.1 161,-1.8 21,-0.1 2,-0.5 -0.983 60.8-136.9-154.1 162.8 -45.1 -25.7 -21.2 64 63 A V E -Fg 83 224A 1 19,-1.1 19,-2.1 -2,-0.3 2,-0.5 -0.990 19.7-163.9-122.5 117.2 -45.4 -24.2 -17.8 65 64 A V E -Fg 82 225A 0 159,-2.9 161,-2.3 -2,-0.5 2,-0.3 -0.922 12.1-173.1-109.2 127.2 -47.0 -26.4 -15.2 66 65 A A E -Fg 81 226A 0 15,-3.3 15,-2.6 -2,-0.5 2,-0.5 -0.896 17.6-137.6-125.9 151.3 -48.2 -24.7 -12.0 67 66 A I E -F 80 0A 4 159,-2.0 3,-0.4 -2,-0.3 2,-0.3 -0.925 15.0-162.6-111.0 125.3 -49.6 -25.8 -8.7 68 67 A G E S+F 79 0A 9 11,-3.4 11,-2.0 -2,-0.5 163,-0.0 -0.695 71.3 21.3 -99.3 160.4 -52.5 -24.1 -7.0 69 68 A R S S+ 0 0 68 -2,-0.3 -1,-0.2 9,-0.2 159,-0.0 0.829 80.0 129.1 50.9 42.6 -53.5 -24.4 -3.4 70 69 A N + 0 0 1 -3,-0.4 133,-2.6 159,-0.3 2,-0.5 0.379 45.4 83.6-103.1 2.6 -50.0 -25.5 -2.3 71 70 A Y B -K 202 0B 22 158,-0.4 2,-0.2 131,-0.2 131,-0.2 -0.930 66.9-143.8-114.6 122.1 -49.4 -23.1 0.5 72 71 A A 0 0 36 129,-2.7 -2,-0.1 -2,-0.5 -3,-0.0 -0.565 360.0 360.0 -79.0 144.0 -50.6 -23.7 4.0 73 72 A D 0 0 198 -2,-0.2 -1,-0.2 157,-0.0 128,-0.0 0.269 360.0 360.0 93.4 360.0 -51.8 -20.8 6.1 74 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 75 84 A S 0 0 169 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 141.7 -59.4 -27.9 2.1 76 85 A L - 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