==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=22-MAY-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ISOMERASE 07-DEC-10 2Y0O . COMPND 2 MOLECULE: PROBABLE D-LYXOSE KETOL-ISOMERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: BACILLUS SUBTILIS SUBSP. SUBTILIS; . AUTHOR J.MARLES-WRIGHT,R.J.LEWIS . 171 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 8583.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 106 62.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 2 1.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 55 32.2 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 . 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 . 11 6.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 21 12.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 11 6.4 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+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 1 0 0 0 0 0 1 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 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 PARALLEL BRIDGES PER LADDER . 0 1 2 1 1 1 0 1 0 0 0 1 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 0 0 0 0 0 1 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 2 A G 0 0 86 0, 0.0 2,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 158.7 6.9 -15.6 6.0 2 3 A I - 0 0 14 4,-0.1 2,-0.3 3,-0.0 26,-0.0 -0.438 360.0-168.4 -64.6 137.0 8.6 -14.4 9.1 3 4 A T > - 0 0 62 -2,-0.1 4,-1.9 1,-0.1 5,-0.1 -0.859 34.9-116.7-124.3 161.4 6.4 -14.5 12.2 4 5 A K H > S+ 0 0 63 -2,-0.3 4,-2.6 1,-0.2 5,-0.2 0.892 117.5 55.9 -61.3 -38.6 6.7 -13.0 15.7 5 6 A E H > S+ 0 0 126 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.911 105.4 51.6 -60.1 -42.1 6.8 -16.5 17.1 6 7 A E H > S+ 0 0 53 2,-0.2 4,-0.9 1,-0.2 -1,-0.2 0.892 109.5 49.5 -62.0 -40.3 9.8 -17.3 14.9 7 8 A V H >X S+ 0 0 0 -4,-1.9 4,-1.5 1,-0.2 3,-1.1 0.935 108.3 53.9 -61.7 -44.3 11.6 -14.2 16.2 8 9 A N H 3X S+ 0 0 22 -4,-2.6 4,-2.5 1,-0.3 -2,-0.2 0.824 97.1 65.5 -62.1 -31.1 10.8 -15.3 19.7 9 10 A S H 3X S+ 0 0 41 -4,-1.8 4,-1.5 1,-0.2 -1,-0.3 0.858 101.8 49.8 -59.7 -33.0 12.4 -18.7 19.0 10 11 A Y H <>S+ 0 0 0 -4,-1.5 5,-2.8 1,-0.2 3,-0.5 0.934 108.6 51.8 -52.8 -43.3 15.2 -15.0 21.9 12 13 A Q H ><5S+ 0 0 127 -4,-2.5 3,-1.4 1,-0.2 -1,-0.2 0.871 103.1 57.8 -64.4 -34.6 14.8 -18.5 23.5 13 14 A K H 3<5S+ 0 0 100 -4,-1.5 -1,-0.2 1,-0.3 -2,-0.2 0.855 109.3 45.8 -57.3 -34.9 18.0 -19.6 21.8 14 15 A A T <<5S- 0 0 30 -4,-1.4 -1,-0.3 -3,-0.5 -2,-0.2 0.382 119.5-111.5 -90.3 -1.8 19.8 -16.8 23.7 15 16 A G T < 5 + 0 0 63 -3,-1.4 2,-0.6 -4,-0.3 -3,-0.2 0.665 69.0 146.3 78.7 17.9 18.0 -17.6 27.0 16 17 A I < - 0 0 29 -5,-2.8 2,-0.5 -6,-0.2 -1,-0.3 -0.796 38.1-148.0 -96.4 120.2 16.0 -14.4 26.8 17 18 A V + 0 0 132 -2,-0.6 2,-0.3 -3,-0.1 -9,-0.0 -0.815 17.4 178.5 -95.2 123.0 12.4 -14.6 28.2 18 19 A L - 0 0 15 -2,-0.5 2,-0.1 -10,-0.1 -6,-0.0 -0.904 27.6-122.8-111.2 146.1 9.5 -12.5 26.8 19 20 A T > - 0 0 72 -2,-0.3 4,-2.3 1,-0.1 5,-0.2 -0.364 33.0-103.1 -75.7 167.1 6.0 -12.7 28.1 20 21 A D H > S+ 0 0 151 1,-0.2 4,-1.8 2,-0.2 -1,-0.1 0.912 124.5 52.1 -56.8 -43.0 3.2 -13.6 25.7 21 22 A E H 4 S+ 0 0 141 1,-0.2 4,-0.4 2,-0.2 -1,-0.2 0.878 108.5 50.4 -61.9 -42.4 2.1 -10.0 25.6 22 23 A E H >4 S+ 0 0 58 1,-0.2 3,-1.5 2,-0.2 4,-0.3 0.878 103.9 57.6 -63.9 -40.3 5.7 -8.9 24.7 23 24 A V H >< S+ 0 0 11 -4,-2.3 3,-1.7 1,-0.3 -1,-0.2 0.917 102.7 56.2 -57.8 -40.2 6.0 -11.5 21.9 24 25 A D T 3< S+ 0 0 109 -4,-1.8 -1,-0.3 1,-0.3 -2,-0.2 0.686 102.6 56.9 -63.9 -17.6 2.9 -9.8 20.4 25 26 A Q T < S+ 0 0 98 -3,-1.5 20,-0.3 -4,-0.4 -1,-0.3 0.408 75.7 124.0 -95.2 1.1 4.9 -6.5 20.5 26 27 A I < - 0 0 5 -3,-1.7 2,-0.4 -4,-0.3 18,-0.2 -0.397 57.0-136.6 -59.1 140.4 7.8 -7.8 18.4 27 28 A Q E -A 43 0A 72 16,-3.0 16,-2.1 -23,-0.1 2,-0.5 -0.874 11.7-158.1-107.2 134.8 8.4 -5.5 15.3 28 29 A L E -A 42 0A 71 -2,-0.4 2,-0.5 14,-0.2 14,-0.2 -0.961 11.1-171.0-113.6 117.9 9.0 -7.0 11.9 29 30 A X E +A 41 0A 27 12,-3.0 12,-1.9 -2,-0.5 142,-0.1 -0.942 23.6 163.1-115.3 128.8 10.8 -4.6 9.4 30 31 A D > - 0 0 65 -2,-0.5 3,-2.1 10,-0.2 5,-0.4 0.332 45.8-131.8-116.7 1.9 11.2 -5.4 5.7 31 32 A Y T 3 - 0 0 8 139,-0.5 136,-0.3 1,-0.3 139,-0.1 0.622 56.4 -79.3 60.6 16.3 12.0 -1.8 4.7 32 33 A G T 3 S+ 0 0 43 134,-0.1 -1,-0.3 138,-0.1 138,-0.0 0.593 106.1 119.6 67.8 13.0 9.5 -2.1 1.8 33 34 A L S < S- 0 0 36 -3,-2.1 -2,-0.1 6,-0.2 -1,-0.1 0.479 73.7-129.7 -91.7 -5.6 12.1 -4.0 -0.2 34 35 A G S S+ 0 0 72 -4,-0.2 -3,-0.1 1,-0.1 -1,-0.0 0.686 84.5 88.6 71.5 23.9 10.1 -7.2 -0.6 35 36 A K >> + 0 0 47 -5,-0.4 4,-2.7 4,-0.3 3,-1.8 -0.386 47.5 170.7-148.4 62.7 12.7 -9.6 0.5 36 37 A E T 34 S+ 0 0 59 1,-0.3 -1,-0.1 2,-0.2 -7,-0.1 0.760 73.9 50.1 -57.3 -40.1 12.3 -9.8 4.3 37 38 A R T 34 S+ 0 0 104 1,-0.2 -1,-0.3 26,-0.1 3,-0.2 0.699 118.8 40.1 -73.2 -19.0 14.7 -12.8 5.0 38 39 A K T <4 S+ 0 0 97 -3,-1.8 26,-2.4 1,-0.3 2,-0.4 0.825 131.4 19.8 -91.9 -42.5 17.5 -11.1 3.0 39 40 A V B < S+b 64 0A 0 -4,-2.7 -4,-0.3 24,-0.2 -1,-0.3 -0.960 98.0 85.7-132.4 113.3 17.0 -7.5 4.0 40 41 A G - 0 0 0 24,-2.0 2,-0.3 -2,-0.4 -10,-0.2 -0.976 50.8-135.4 175.5 175.7 15.1 -6.9 7.2 41 42 A L E -A 29 0A 13 -12,-1.9 -12,-3.0 -2,-0.3 2,-0.4 -0.976 7.5-159.8-153.3 149.8 15.3 -6.6 11.0 42 43 A Q E +AC 28 58A 2 16,-1.4 16,-2.7 -2,-0.3 2,-0.3 -0.990 23.3 161.2-132.2 141.7 13.2 -7.9 13.9 43 44 A L E -AC 27 57A 3 -16,-2.1 -16,-3.0 -2,-0.4 2,-0.4 -0.988 33.7-143.0-158.9 163.3 13.2 -6.4 17.4 44 45 A F E - C 0 56A 4 12,-1.7 12,-2.7 -2,-0.3 2,-0.8 -0.999 22.8-140.1-128.4 127.1 11.6 -6.0 20.7 45 46 A V E - C 0 55A 37 -2,-0.4 10,-0.2 -20,-0.3 3,-0.1 -0.810 15.3-174.9 -91.5 113.4 11.8 -2.7 22.6 46 47 A Y E S- 0 0 97 8,-1.7 2,-0.3 -2,-0.8 -1,-0.2 0.926 70.6 -20.3 -66.2 -47.5 12.3 -3.2 26.3 47 48 A V E - C 0 54A 54 7,-1.4 7,-2.2 2,-0.0 -1,-0.3 -0.971 50.4-171.0-164.1 146.4 12.0 0.4 27.1 48 49 A N E + C 0 53A 75 -2,-0.3 5,-0.2 5,-0.2 2,-0.1 -0.762 22.0 167.1-148.8 98.1 12.3 3.8 25.4 49 50 A T - 0 0 43 3,-3.1 105,-0.2 -2,-0.2 -2,-0.0 -0.373 56.2 -88.3-102.8-176.7 12.3 6.8 27.7 50 51 A D S S+ 0 0 158 1,-0.2 103,-0.2 -2,-0.1 3,-0.1 0.508 127.6 28.3 -71.3 -3.9 13.1 10.5 27.1 51 52 A R S S+ 0 0 207 1,-0.3 102,-0.7 101,-0.1 2,-0.3 0.656 122.7 16.7-124.1 -30.4 16.7 9.5 28.0 52 53 A Y E - D 0 152A 128 100,-0.3 -3,-3.1 102,-0.1 -1,-0.3 -0.944 50.3-168.4-149.0 161.8 17.5 5.9 27.2 53 54 A C E -CD 48 151A 3 98,-2.6 98,-2.8 -2,-0.3 2,-0.4 -0.994 3.4-167.0-149.8 148.2 16.4 2.9 25.3 54 55 A S E +CD 47 150A 25 -7,-2.2 -8,-1.7 -2,-0.3 -7,-1.4 -0.992 10.6 176.9-137.8 142.7 17.1 -0.8 25.0 55 56 A K E -CD 45 149A 4 94,-1.9 94,-3.0 -2,-0.4 2,-0.6 -0.957 25.5-137.2-135.1 152.5 16.0 -3.3 22.3 56 57 A E E -CD 44 148A 4 -12,-2.7 -12,-1.7 -2,-0.3 2,-0.3 -0.971 28.6-160.3-111.8 116.6 16.7 -6.9 21.6 57 58 A L E -CD 43 147A 4 90,-3.4 90,-2.3 -2,-0.6 2,-0.4 -0.739 8.8-164.0 -97.3 147.0 17.4 -7.5 17.9 58 59 A V E -CD 42 146A 0 -16,-2.7 -16,-1.4 -2,-0.3 2,-0.4 -0.995 4.1-174.4-125.5 133.5 17.1 -10.7 15.9 59 60 A L E - D 0 145A 4 86,-2.5 86,-2.5 -2,-0.4 3,-0.1 -0.997 21.2-134.7-119.0 133.1 18.7 -11.3 12.5 60 61 A F > - 0 0 4 -2,-0.4 3,-2.6 84,-0.2 80,-0.4 -0.290 52.2 -58.0 -74.0 168.0 18.0 -14.5 10.6 61 62 A P T 3 S- 0 0 64 0, 0.0 81,-0.2 0, 0.0 -1,-0.2 -0.249 124.1 -6.2 -53.1 125.1 20.8 -16.4 8.9 62 63 A G T 3 S+ 0 0 34 79,-1.5 2,-0.2 78,-0.5 80,-0.1 0.488 96.1 148.4 70.8 3.4 22.5 -14.2 6.4 63 64 A Q < - 0 0 0 -3,-2.6 77,-2.2 78,-0.3 2,-0.4 -0.484 34.0-149.8 -77.2 141.4 20.0 -11.4 6.9 64 65 A T E -bE 39 139A 2 -26,-2.4 -24,-2.0 75,-0.2 75,-0.2 -0.913 9.9-147.5-113.4 136.6 21.2 -7.8 6.4 65 66 A C E - E 0 138A 0 73,-2.9 73,-1.6 -2,-0.4 3,-0.1 -0.914 38.1-117.3 -96.0 124.0 19.9 -4.7 8.1 66 67 A P E - 0 0 2 0, 0.0 2,-0.1 0, 0.0 70,-0.1 -0.116 36.6 -80.6 -70.3 160.5 20.4 -1.9 5.5 67 68 A E E + 0 0 3 46,-0.3 95,-2.1 70,-0.1 96,-0.5 -0.353 62.6 146.4 -68.9 132.0 22.7 1.1 6.0 68 69 A H E -FE 161 136A 12 68,-2.3 68,-1.9 93,-0.3 2,-0.3 -0.941 31.0-144.1-153.7 168.6 21.4 4.0 8.1 69 70 A R E -F 160 0A 78 91,-1.7 91,-2.6 -2,-0.3 66,-0.2 -0.979 18.3-128.2-137.4 157.4 22.5 6.7 10.6 70 71 A H - 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