==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=25-DEC-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ISOMERASE 23-SEP-11 3TY1 . COMPND 2 MOLECULE: HYPOTHETICAL ALDOSE 1-EPIMERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: KLEBSIELLA PNEUMONIAE SUBSP. PNEUMONIA . AUTHOR JOINT CENTER FOR STRUCTURAL GENOMICS (JCSG) . 1152 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 39724.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 854 74.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 11 1.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 434 37.7 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 12 1.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 8 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 6 0.5 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 . 138 12.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 118 10.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 77 6.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 15 1.3 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 3 0 3 0 0 0 0 0 0 0 0 3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 3 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 PARALLEL BRIDGES PER LADDER . 9 3 19 8 9 9 9 3 3 0 3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 6 0 0 0 0 0 0 0 0 0 3 0 2 1 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 G 0 0 85 0, 0.0 152,-2.2 0, 0.0 153,-0.4 0.000 360.0 360.0 360.0 170.4 20.8 -36.2 3.7 2 20 A A E -A 152 0A 48 150,-0.3 2,-0.4 151,-0.1 150,-0.3 -0.975 360.0-125.3-157.9 153.8 23.6 -33.7 4.5 3 21 A K E -A 151 0A 127 148,-2.6 148,-2.3 -2,-0.3 2,-0.4 -0.938 24.5-159.5-106.4 137.3 26.4 -33.2 7.0 4 22 A T E -A 150 0A 60 -2,-0.4 2,-0.4 146,-0.2 146,-0.2 -0.960 5.8-163.5-116.2 132.3 26.5 -30.0 8.9 5 23 A W E -A 149 0A 40 144,-3.2 144,-2.5 -2,-0.4 2,-0.8 -0.962 13.9-144.7-109.3 134.4 29.6 -28.5 10.7 6 24 A V E +A 148 0A 49 -2,-0.4 142,-0.2 142,-0.2 3,-0.1 -0.848 23.1 172.6-101.0 107.0 29.0 -25.7 13.3 7 25 A L E + 0 0 0 140,-2.0 9,-3.0 -2,-0.8 10,-0.4 0.763 68.5 17.0 -84.2 -32.2 31.9 -23.3 13.0 8 26 A T E +AB 147 15A 0 139,-1.7 139,-2.1 7,-0.2 -1,-0.3 -0.989 56.5 166.3-146.3 133.0 30.5 -20.7 15.4 9 27 A N E >>> -AB 146 14A 23 5,-2.7 5,-2.1 -2,-0.3 3,-1.2 -0.669 9.6-176.1-152.3 96.2 27.8 -20.8 18.0 10 28 A A G >45S+ 0 0 6 135,-2.8 3,-0.8 1,-0.3 801,-0.2 0.833 84.3 66.4 -64.1 -32.8 27.7 -17.9 20.5 11 29 A E G 345S+ 0 0 179 134,-0.3 -1,-0.3 1,-0.3 135,-0.1 0.832 113.7 32.6 -57.6 -33.4 24.9 -19.5 22.4 12 30 A E G <45S- 0 0 141 -3,-1.2 -1,-0.3 2,-0.1 -2,-0.2 0.368 114.3-119.6-100.0 0.3 27.5 -22.3 23.4 13 31 A G T <<5 + 0 0 9 -3,-0.8 798,-0.5 -4,-0.6 2,-0.3 0.702 66.9 135.7 71.2 25.5 30.4 -19.8 23.4 14 32 A I E < +B 9 0A 61 -5,-2.1 -5,-2.7 796,-0.1 2,-0.3 -0.741 29.8 168.3-116.1 150.8 32.3 -21.6 20.6 15 33 A D E -B 8 0A 30 -2,-0.3 -7,-0.2 -7,-0.2 -8,-0.1 -0.863 23.5-151.7-155.1 120.7 34.2 -20.7 17.5 16 34 A K - 0 0 110 -9,-3.0 2,-0.2 -2,-0.3 -8,-0.1 0.653 26.3-168.9 -67.9 -19.2 36.4 -23.2 15.6 17 35 A G + 0 0 17 -10,-0.4 -1,-0.2 21,-0.1 2,-0.2 -0.454 65.0 28.0 64.4-131.2 38.7 -20.5 14.2 18 36 A N S S+ 0 0 106 -2,-0.2 2,-0.3 20,-0.1 20,-0.2 -0.419 84.3 147.6 -63.1 129.1 41.0 -22.1 11.6 19 37 A W E +L 37 0B 36 18,-2.1 18,-2.9 -2,-0.2 2,-0.3 -0.981 20.1 178.9-162.9 146.5 39.1 -25.0 10.0 20 38 A Q E -L 36 0B 77 -2,-0.3 2,-0.3 16,-0.2 16,-0.2 -0.992 10.4-172.4-152.7 153.5 38.8 -26.9 6.8 21 39 A I E -L 35 0B 7 14,-2.5 14,-2.7 -2,-0.3 2,-0.3 -0.967 14.4-163.0-134.5 157.4 37.2 -29.7 5.0 22 40 A N E > -L 34 0B 42 -2,-0.3 4,-2.0 12,-0.2 12,-0.2 -0.978 31.9-118.0-144.4 155.3 37.8 -31.1 1.6 23 41 A S T 4>S+ 0 0 5 10,-2.9 5,-3.0 -2,-0.3 4,-0.2 0.767 111.2 58.1 -59.8 -35.1 36.2 -33.3 -1.0 24 42 A D T >45S+ 0 0 130 9,-0.3 3,-1.8 3,-0.2 -1,-0.2 0.974 109.7 41.6 -58.5 -59.2 39.0 -35.8 -0.9 25 43 A Q T 345S+ 0 0 104 1,-0.3 -2,-0.2 2,-0.1 -1,-0.2 0.818 114.8 53.1 -60.9 -29.9 38.7 -36.5 2.9 26 44 A L T 3<5S- 0 0 55 -4,-2.0 -1,-0.3 2,-0.1 -2,-0.2 0.466 111.4-124.8 -79.2 -4.8 34.9 -36.5 2.5 27 45 A K T < 5 + 0 0 172 -3,-1.8 2,-0.5 1,-0.2 -3,-0.2 0.803 51.0 162.8 58.2 36.4 35.3 -39.2 -0.3 28 46 A V < - 0 0 19 -5,-3.0 -1,-0.2 -6,-0.1 5,-0.1 -0.751 20.0-167.2 -84.0 126.3 33.3 -36.9 -2.8 29 47 A K + 0 0 178 -2,-0.5 3,-0.1 -3,-0.1 -1,-0.1 0.505 60.6 51.5-102.2 -8.2 34.1 -38.3 -6.3 30 48 A D S S+ 0 0 97 1,-0.3 2,-0.2 -7,-0.1 -2,-0.0 0.470 107.0 13.8-102.4-119.4 32.9 -35.7 -8.8 31 49 A H S S- 0 0 81 154,-0.2 -1,-0.3 1,-0.1 2,-0.2 -0.402 79.8-129.4 -67.8 125.0 33.9 -31.9 -8.7 32 50 A A + 0 0 23 -2,-0.2 24,-2.0 -3,-0.1 25,-0.4 -0.504 40.6 149.1 -75.2 142.7 36.8 -31.3 -6.3 33 51 A F E - M 0 55B 9 22,-0.2 -10,-2.9 -2,-0.2 2,-0.3 -0.982 28.8-154.0-160.9 166.5 36.5 -28.6 -3.6 34 52 A S E -LM 22 54B 27 20,-2.1 20,-3.0 -2,-0.3 2,-0.4 -0.962 9.4-148.5-142.8 157.3 37.4 -27.5 -0.2 35 53 A I E -LM 21 53B 0 -14,-2.7 -14,-2.5 -2,-0.3 2,-0.4 -0.999 24.4-179.6-128.5 125.4 35.8 -25.2 2.4 36 54 A E E -LM 20 52B 61 16,-2.4 16,-2.9 -2,-0.4 2,-0.5 -0.994 21.9-160.4-136.8 132.5 38.1 -23.2 4.7 37 55 A Q E -LM 19 51B 0 -18,-2.9 -18,-2.1 -2,-0.4 2,-0.4 -0.915 19.4-173.3-104.9 134.1 37.8 -20.8 7.5 38 56 A K E - M 0 50B 95 12,-2.5 12,-2.2 -2,-0.5 2,-0.6 -0.997 21.0-139.9-132.1 133.5 40.9 -18.7 8.2 39 57 A V E - M 0 49B 33 -2,-0.4 10,-0.2 10,-0.2 2,-0.2 -0.806 29.2-145.9 -91.7 123.8 41.5 -16.3 11.0 40 58 A L - 0 0 14 8,-3.5 7,-2.1 -2,-0.6 2,-0.3 -0.477 14.3-165.9 -93.6 163.5 43.4 -13.2 9.7 41 59 A H + 0 0 53 5,-0.2 357,-0.2 354,-0.2 358,-0.1 -0.927 36.6 61.3-144.4 160.8 46.0 -11.1 11.3 42 60 A G S > S+ 0 0 1 -2,-0.3 3,-1.9 1,-0.3 488,-0.2 0.265 87.3 2.4 97.2 142.1 47.8 -7.7 10.8 43 61 A G G > S- 0 0 2 486,-2.2 3,-0.9 1,-0.2 -1,-0.3 -0.147 128.2 -24.5 54.6-142.2 46.6 -4.1 10.7 44 62 A K G 3 S+ 0 0 22 1,-0.2 48,-2.9 484,-0.2 -1,-0.2 0.396 129.1 78.2 -84.6 7.4 42.9 -3.5 11.3 45 63 A Q G X + 0 0 10 -3,-1.9 3,-2.2 46,-0.3 -1,-0.2 0.388 60.8 137.0 -95.5 1.9 42.3 -7.1 10.1 46 64 A E T < S+ 0 0 71 -3,-0.9 -5,-0.2 1,-0.3 3,-0.1 -0.296 79.5 2.3 -59.0 119.6 43.4 -8.6 13.5 47 65 A G T 3 S+ 0 0 30 -7,-2.1 -1,-0.3 1,-0.3 -6,-0.1 0.288 94.5 139.2 87.6 -8.5 40.9 -11.4 14.4 48 66 A S < - 0 0 0 -3,-2.2 -8,-3.5 42,-0.2 2,-0.3 -0.421 41.2-144.2 -68.1 140.4 38.8 -11.1 11.2 49 67 A K E -M 39 0B 15 -10,-0.2 17,-0.8 -2,-0.1 2,-0.3 -0.835 13.1-167.1-106.5 147.5 37.6 -14.3 9.7 50 68 A I E -M 38 0B 28 -12,-2.2 -12,-2.5 -2,-0.3 2,-0.4 -0.939 5.1-160.2-121.0 150.8 37.2 -15.3 6.1 51 69 A L E -MN 37 63B 1 12,-3.1 12,-3.0 -2,-0.3 2,-0.4 -0.993 15.3-172.7-133.9 123.5 35.3 -18.4 4.9 52 70 A T E -MN 36 62B 9 -16,-2.9 -16,-2.4 -2,-0.4 2,-0.7 -0.964 25.7-152.4-127.3 132.6 36.0 -19.7 1.4 53 71 A I E -MN 35 61B 0 8,-2.8 8,-2.2 -2,-0.4 2,-0.6 -0.913 25.3-160.1 -93.0 113.5 34.6 -22.4 -0.9 54 72 A H E -M 34 0B 70 -20,-3.0 -20,-2.1 -2,-0.7 2,-0.4 -0.878 7.8-168.6 -97.7 125.0 37.6 -23.3 -3.2 55 73 A S E -M 33 0B 18 -2,-0.6 -22,-0.2 -22,-0.2 3,-0.1 -0.874 23.0-152.2-110.9 145.1 36.6 -25.0 -6.4 56 74 A K S S+ 0 0 169 -24,-2.0 -1,-0.2 -2,-0.4 -23,-0.1 0.973 100.2 8.0 -72.3 -49.4 38.9 -26.8 -8.9 57 75 A D S S+ 0 0 72 -25,-0.4 2,-0.2 2,-0.1 -1,-0.2 -0.298 128.3 44.8-127.3 36.7 36.6 -26.1 -11.9 58 76 A G S S- 0 0 7 17,-0.1 19,-0.4 -3,-0.1 2,-0.4 -0.506 98.6 -29.7-148.3-141.8 33.9 -23.7 -10.6 59 77 A L - 0 0 0 128,-0.5 2,-0.6 -2,-0.2 17,-0.2 -0.762 39.6-149.3 -94.6 138.6 33.5 -20.6 -8.5 60 78 A T E - O 0 75B 24 15,-3.4 15,-2.2 -2,-0.4 2,-0.5 -0.925 24.2-167.2-103.0 118.2 35.9 -19.8 -5.6 61 79 A I E -NO 53 74B 2 -8,-2.2 -8,-2.8 -2,-0.6 2,-0.5 -0.952 8.9-170.7-119.4 121.7 33.7 -17.9 -3.2 62 80 A T E +NO 52 73B 20 11,-2.7 10,-2.6 -2,-0.5 11,-1.4 -0.941 10.9 167.6-115.4 128.2 35.0 -15.9 -0.2 63 81 A L E -NO 51 71B 4 -12,-3.0 -12,-3.1 -2,-0.5 8,-0.2 -0.872 28.1-129.7-130.9 166.4 32.9 -14.4 2.5 64 82 A S E > > - O 0 70B 0 6,-2.2 5,-1.9 -2,-0.3 6,-0.7 -0.932 10.9-171.2-122.7 109.9 33.6 -12.9 5.9 65 83 A P G > 5S+ 0 0 0 0, 0.0 79,-3.0 0, 0.0 3,-0.6 0.766 92.5 58.0 -64.1 -27.9 31.7 -14.1 9.0 66 84 A T G 3 5S+ 0 0 8 -17,-0.8 2,-0.5 77,-0.3 -16,-0.1 0.812 105.8 51.2 -67.2 -33.5 33.2 -11.2 11.0 67 85 A R G X 5S- 0 0 1 -3,-0.6 3,-2.5 -18,-0.3 -3,-0.3 -0.572 131.6 -82.7-108.2 57.5 31.7 -8.7 8.5 68 86 A G T < 5S- 0 0 1 74,-1.6 -2,-0.1 -3,-0.6 48,-0.1 0.605 79.6 -66.8 61.0 22.4 28.0 -9.9 8.5 69 87 A X T 3 + Q 0 79B 16 3,-2.0 3,-2.1 -2,-0.4 -17,-0.2 -0.906 54.3 45.2 166.9 167.4 36.1 -18.5 -11.7 77 95 A F T 3 S- 0 0 73 -19,-0.4 3,-0.1 1,-0.3 -18,-0.1 0.775 125.6 -57.0 52.1 33.7 35.8 -19.2 -15.4 78 96 A G T 3 S+ 0 0 71 1,-0.3 -1,-0.3 0, 0.0 2,-0.2 0.637 125.1 65.3 76.7 16.7 38.5 -16.6 -16.3 79 97 A S E < -Q 76 0B 11 -3,-2.1 -3,-2.0 272,-0.0 2,-0.3 -0.749 63.3-145.5-148.4-169.3 36.6 -13.8 -14.6 80 98 A R E -Q 75 0B 31 -5,-0.2 2,-0.6 -2,-0.2 138,-0.3 -0.980 18.4-129.0-162.4 158.9 35.4 -12.5 -11.2 81 99 A X E S+Q 74 0B 0 -7,-2.9 -7,-2.0 -2,-0.3 2,-0.3 -0.982 74.6 62.6-109.7 117.9 32.7 -10.7 -9.4 82 100 A G - 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