==== 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 29-JAN-07 2OPK . COMPND 2 MOLECULE: HYPOTHETICAL PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: RALSTONIA EUTROPHA; . AUTHOR JOINT CENTER FOR STRUCTURAL GENOMICS (JCSG) . 440 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 19066.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 265 60.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 199 45.2 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 . 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 . 28 6.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 30 6.8 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+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 . 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 PARALLEL BRIDGES PER LADDER . 4 0 5 7 4 0 8 4 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 4 0 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 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 X 0 0 122 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -57.8 -4.2 -2.9 72.8 2 2 A D - 0 0 135 193,-0.0 2,-0.1 197,-0.0 197,-0.0 -0.827 360.0-108.7-105.4 147.6 -0.6 -4.2 73.1 3 3 A P - 0 0 39 0, 0.0 2,-0.3 0, 0.0 192,-0.2 -0.410 29.0-157.8 -73.8 150.4 2.6 -2.5 71.7 4 4 A K E -A 194 0A 89 190,-1.1 190,-3.3 -2,-0.1 2,-0.3 -0.931 7.0-168.0-122.3 156.6 4.5 -3.8 68.6 5 5 A H E +A 193 0A 117 -2,-0.3 2,-0.3 188,-0.2 188,-0.2 -0.918 11.3 157.6-138.0 159.5 8.1 -3.3 67.5 6 6 A G E -A 192 0A 18 186,-1.9 186,-2.6 -2,-0.3 2,-0.4 -0.953 33.6-114.5-164.3-175.4 10.3 -3.8 64.5 7 7 A N E > -A 191 0A 42 -2,-0.3 3,-1.5 184,-0.2 184,-0.2 -0.997 12.8-145.8-136.4 127.3 13.4 -2.8 62.6 8 8 A L T 3 S+ 0 0 1 182,-2.2 183,-0.1 -2,-0.4 182,-0.1 0.635 101.9 55.2 -68.6 -17.3 13.3 -1.2 59.2 9 9 A F T 3 S+ 0 0 24 180,-0.1 3,-0.5 181,-0.1 2,-0.3 0.421 88.4 97.9 -94.9 1.9 16.5 -3.0 58.3 10 10 A A S < S+ 0 0 38 -3,-1.5 -3,-0.1 1,-0.2 180,-0.0 -0.655 88.8 8.7 -90.4 145.2 15.1 -6.5 59.1 11 11 A D S S+ 0 0 152 -2,-0.3 -1,-0.2 1,-0.2 -2,-0.0 0.896 79.0 168.1 52.8 46.9 13.8 -8.7 56.3 12 12 A V - 0 0 20 -3,-0.5 2,-1.5 284,-0.1 284,-0.3 -0.785 31.0-141.6 -87.2 109.9 15.0 -6.5 53.5 13 13 A P > - 0 0 51 0, 0.0 3,-1.4 0, 0.0 2,-0.2 -0.561 18.3-150.2 -77.4 97.2 14.7 -8.4 50.2 14 14 A V T 3 S+ 0 0 18 -2,-1.5 24,-0.1 280,-0.4 85,-0.0 -0.428 76.1 8.6 -67.8 136.8 17.8 -7.3 48.3 15 15 A G T 3 S+ 0 0 54 1,-0.2 -1,-0.2 -2,-0.2 23,-0.1 0.611 79.8 167.1 66.5 14.9 17.4 -7.3 44.5 16 16 A A < - 0 0 19 -3,-1.4 -1,-0.2 1,-0.2 22,-0.1 -0.365 40.2-130.1 -54.8 137.1 13.6 -7.9 44.6 17 17 A P S S+ 0 0 110 0, 0.0 2,-0.3 0, 0.0 -1,-0.2 0.806 85.3 36.2 -60.3 -34.6 12.5 -7.2 41.0 18 18 A D S S- 0 0 119 19,-0.1 2,-0.2 22,-0.1 18,-0.0 -0.815 96.5 -88.4-121.1 161.9 9.7 -4.9 42.1 19 19 A E - 0 0 49 -2,-0.3 2,-0.4 18,-0.1 18,-0.2 -0.514 40.6-146.8 -70.5 140.8 9.1 -2.3 44.8 20 20 A I E -F 36 0B 57 16,-1.7 16,-2.5 -2,-0.2 2,-0.4 -0.892 10.4-165.0-114.5 132.3 7.7 -3.8 48.1 21 21 A F E +F 35 0B 92 -2,-0.4 14,-0.2 14,-0.2 12,-0.0 -0.946 8.2 177.9-121.4 138.3 5.4 -1.9 50.4 22 22 A Q E -F 34 0B 85 12,-2.3 12,-3.3 -2,-0.4 2,-0.2 -0.936 24.2-131.4-144.7 117.0 4.6 -3.0 54.0 23 23 A P E +F 33 0B 70 0, 0.0 10,-0.3 0, 0.0 3,-0.1 -0.506 20.3 179.5 -70.6 133.8 2.3 -1.1 56.4 24 24 A L E S+ 0 0 20 8,-2.9 2,-0.3 1,-0.3 9,-0.2 0.728 75.4 9.2 -97.9 -37.6 3.6 -0.4 59.9 25 25 A L E -F 32 0B 3 7,-1.8 7,-2.9 2,-0.0 2,-0.4 -0.971 60.0-174.9-147.4 135.8 0.5 1.4 61.2 26 26 A E E +F 31 0B 115 -2,-0.3 2,-0.3 5,-0.2 5,-0.2 -0.993 18.4 149.6-130.7 123.1 -3.0 2.0 59.8 27 27 A R E > -F 30 0B 72 3,-2.4 3,-2.5 -2,-0.4 2,-0.1 -0.855 61.6 -54.6-137.0 171.8 -5.6 4.2 61.4 28 28 A K T 3 S- 0 0 68 1,-0.3 192,-0.2 -2,-0.3 194,-0.1 -0.359 128.2 -4.8 -52.8 118.0 -8.5 6.3 60.1 29 29 A G T 3 S+ 0 0 28 -2,-0.1 80,-0.8 1,-0.1 2,-0.3 0.713 120.9 96.9 68.6 24.3 -6.9 8.6 57.5 30 30 A L E < +FG 27 108B 10 -3,-2.5 -3,-2.4 78,-0.2 2,-0.4 -0.970 39.4 170.2-149.6 131.9 -3.4 7.4 58.3 31 31 A K E -FG 26 107B 74 76,-2.1 76,-2.7 -2,-0.3 2,-0.5 -0.968 8.3-171.4-140.3 122.6 -0.9 4.9 56.9 32 32 A I E +FG 25 106B 0 -7,-2.9 -8,-2.9 -2,-0.4 -7,-1.8 -0.952 25.3 171.4-102.0 133.9 2.7 4.6 57.9 33 33 A E E -FG 23 105B 12 72,-2.8 72,-2.6 -2,-0.5 2,-0.4 -0.987 34.4-129.6-143.5 155.1 4.6 2.2 55.7 34 34 A R E -FG 22 104B 13 -12,-3.3 -12,-2.3 -2,-0.3 2,-0.4 -0.820 24.2-164.5 -96.2 139.0 8.0 0.8 54.8 35 35 A I E -FG 21 103B 11 68,-2.0 68,-2.9 -2,-0.4 2,-0.5 -0.989 3.8-160.8-119.3 133.2 9.0 0.8 51.1 36 36 A I E -FG 20 102B 0 -16,-2.5 -16,-1.7 -2,-0.4 2,-0.3 -0.954 11.1-177.6-113.4 118.4 11.9 -1.2 49.7 37 37 A S E - G 0 101B 0 64,-3.3 64,-2.5 -2,-0.5 -22,-0.1 -0.792 15.4-171.2-105.5 153.0 13.3 -0.2 46.3 38 38 A N S S- 0 0 32 -2,-0.3 59,-0.1 62,-0.2 -2,-0.0 -0.448 77.4 -52.8-138.4 58.4 16.1 -2.0 44.5 39 39 A G S S+ 0 0 34 1,-0.3 56,-0.3 57,-0.2 2,-0.1 0.467 93.9 140.0 91.0 5.4 16.9 0.4 41.6 40 40 A Q - 0 0 34 54,-0.1 2,-0.3 56,-0.1 -1,-0.3 -0.395 29.3-167.6 -80.8 157.5 13.4 0.8 40.2 41 41 A A - 0 0 50 53,-0.1 52,-0.2 -2,-0.1 53,-0.1 -0.909 36.2 -82.1-137.3 161.6 12.0 4.1 38.9 42 42 A S - 0 0 11 50,-2.7 3,-0.1 -2,-0.3 49,-0.0 -0.476 58.7-106.9 -62.9 136.5 8.5 5.4 38.0 43 43 A P > - 0 0 77 0, 0.0 3,-2.2 0, 0.0 -1,-0.1 -0.237 51.0 -70.0 -65.4 158.1 7.8 4.3 34.4 44 44 A P T 3 S+ 0 0 133 0, 0.0 3,-0.1 0, 0.0 -3,-0.0 -0.169 120.8 8.8 -50.3 130.0 7.9 6.8 31.5 45 45 A G T 3 S+ 0 0 67 1,-0.2 2,-0.3 -3,-0.1 -3,-0.0 0.404 94.6 135.7 79.0 -0.8 4.9 9.3 31.8 46 46 A F < + 0 0 78 -3,-2.2 2,-0.4 -4,-0.0 -1,-0.2 -0.632 26.2 175.3 -82.7 134.3 3.8 8.1 35.2 47 47 A W - 0 0 54 -2,-0.3 2,-0.3 -3,-0.1 44,-0.2 -0.995 25.7-133.9-133.9 134.5 2.8 10.6 37.9 48 48 A Y B +K 90 0C 78 42,-3.2 42,-1.2 -2,-0.4 2,-0.3 -0.647 24.3 179.9 -76.5 147.6 1.4 9.9 41.4 49 49 A D - 0 0 83 -2,-0.3 40,-0.1 40,-0.2 37,-0.1 -0.799 7.6-178.8-154.2 104.9 -1.5 12.0 42.3 50 50 A S - 0 0 33 38,-0.3 37,-2.9 -2,-0.3 38,-0.2 -0.857 37.6-143.2-115.9 143.8 -3.1 11.4 45.7 51 51 A P S S+ 0 0 94 0, 0.0 59,-0.5 0, 0.0 2,-0.3 0.504 90.9 71.9 -73.8 -5.9 -6.0 12.9 47.6 52 52 A Q S S- 0 0 54 57,-0.1 35,-0.3 33,-0.1 -2,-0.2 -0.788 87.8-115.9-104.9 152.9 -3.8 12.5 50.7 53 53 A D E -H 108 0B 4 55,-2.7 55,-2.0 -2,-0.3 2,-0.4 -0.574 31.1-152.8 -73.3 151.8 -0.7 14.3 51.8 54 54 A E E -HI 107 84B 25 30,-2.3 30,-3.7 53,-0.2 2,-0.5 -0.999 13.8-169.8-128.8 137.0 2.5 12.2 51.8 55 55 A W E +HI 106 83B 0 51,-2.8 51,-3.1 -2,-0.4 2,-0.4 -0.993 21.2 174.9-119.9 123.0 5.6 12.7 54.0 56 56 A V E -HI 105 82B 4 26,-2.6 26,-2.1 -2,-0.5 2,-0.3 -0.995 12.6-173.0-139.0 142.7 8.4 10.4 52.9 57 57 A X E -HI 104 81B 0 47,-2.1 47,-2.1 -2,-0.4 2,-0.6 -0.974 26.1-126.2-133.0 144.3 12.0 10.0 53.9 58 58 A V E +H 103 0B 0 22,-2.1 21,-2.6 19,-0.4 45,-0.2 -0.812 26.7 175.3 -85.2 121.7 15.0 8.0 52.7 59 59 A V E S+ 0 0 16 43,-3.0 2,-0.3 -2,-0.6 44,-0.2 0.751 71.5 4.6 -94.5 -35.5 16.4 5.9 55.6 60 60 A S E S+H 102 0B 7 42,-1.6 42,-1.8 18,-0.1 -1,-0.4 -0.983 114.7 15.8-149.8 152.1 19.0 4.1 53.6 61 61 A G S S- 0 0 8 -2,-0.3 2,-0.3 40,-0.2 40,-0.2 -0.581 81.8 -90.2 86.3-146.1 20.2 4.2 49.9 62 62 A S + 0 0 16 -2,-0.2 34,-2.5 37,-0.2 2,-0.3 -0.985 37.3 173.7-163.0 157.9 19.4 7.1 47.7 63 63 A A E -LM 76 95C 0 13,-2.0 13,-3.4 -2,-0.3 2,-0.5 -0.987 25.8-125.4-159.5 165.8 16.8 8.4 45.2 64 64 A G E -LM 75 94C 0 30,-2.7 29,-2.0 -2,-0.3 30,-1.2 -0.991 21.4-169.5-119.9 130.2 15.6 11.2 43.0 65 65 A I E -LM 74 92C 6 9,-2.1 9,-3.7 -2,-0.5 2,-0.5 -0.961 4.4-160.9-116.4 139.9 12.1 12.5 43.2 66 66 A E E - M 0 91C 44 25,-2.4 25,-2.1 -2,-0.4 2,-0.3 -0.976 2.9-159.0-123.5 116.5 10.7 14.9 40.7 67 67 A C E > - M 0 90C 3 -2,-0.5 3,-2.6 5,-0.3 23,-0.3 -0.748 44.1 -85.9 -89.5 146.7 7.6 17.0 41.5 68 68 A E T 3 S+ 0 0 105 21,-3.0 3,-0.1 -2,-0.3 -1,-0.1 -0.337 120.4 27.3 -57.2 129.6 5.7 18.3 38.5 69 69 A G T 3 S+ 0 0 74 1,-0.4 -1,-0.3 -3,-0.0 -3,-0.0 -0.021 88.4 133.2 103.4 -27.4 7.4 21.6 37.5 70 70 A D < - 0 0 39 -3,-2.6 -1,-0.4 1,-0.1 -4,-0.0 -0.276 50.7-149.8 -58.3 141.7 10.8 20.6 38.8 71 71 A T S S+ 0 0 151 1,-0.2 -1,-0.1 -3,-0.1 -5,-0.0 0.641 81.9 8.2 -86.9 -18.7 13.7 21.3 36.4 72 72 A A S S- 0 0 55 -5,-0.1 -5,-0.3 -7,-0.1 -1,-0.2 -0.976 92.8 -83.7-153.1 158.6 15.7 18.3 37.9 73 73 A P - 0 0 50 0, 0.0 2,-0.7 0, 0.0 -7,-0.2 -0.408 42.4-117.9 -64.2 143.2 15.1 15.5 40.3 74 74 A R E -L 65 0C 68 -9,-3.7 -9,-2.1 -2,-0.1 2,-0.4 -0.768 28.9-134.7 -80.4 114.7 15.5 16.2 44.0 75 75 A V E -L 64 0C 67 -2,-0.7 2,-0.5 -11,-0.2 -11,-0.2 -0.589 22.9-165.0 -75.9 122.3 18.4 14.0 45.2 76 76 A X E +L 63 0C 7 -13,-3.4 -13,-2.0 -2,-0.4 3,-0.1 -0.954 11.3 173.5-118.2 128.9 17.5 12.3 48.5 77 77 A R > - 0 0 152 -2,-0.5 3,-2.6 -15,-0.2 -19,-0.4 -0.641 53.0 -46.6-119.3 174.7 20.0 10.6 50.8 78 78 A P T 3 S+ 0 0 56 0, 0.0 -19,-0.2 0, 0.0 42,-0.2 -0.194 129.8 19.4 -51.3 129.6 19.6 9.2 54.3 79 79 A G T 3 S+ 0 0 1 -21,-2.6 40,-2.3 1,-0.3 2,-0.3 0.095 92.2 128.4 98.2 -21.2 17.7 11.5 56.5 80 80 A D E < - J 0 118B 32 -3,-2.6 -22,-2.1 38,-0.2 -1,-0.3 -0.516 34.7-178.0 -71.5 131.9 16.2 13.5 53.7 81 81 A W E -IJ 57 117B 26 36,-2.4 36,-1.8 -2,-0.3 2,-0.3 -0.866 12.2-164.8-128.9 162.4 12.4 14.0 53.8 82 82 A L E -IJ 56 116B 2 -26,-2.1 -26,-2.6 -2,-0.3 2,-0.6 -0.988 13.2-145.2-150.5 132.2 9.9 15.6 51.5 83 83 A H E -IJ 55 115B 9 32,-3.0 32,-0.7 -2,-0.3 -28,-0.2 -0.926 15.0-165.8-102.8 120.7 6.2 16.6 52.2 84 84 A V E -I 54 0B 4 -30,-3.7 -30,-2.3 -2,-0.6 3,-0.1 -0.916 16.7-138.9-108.9 104.3 4.1 16.1 49.1 85 85 A P > - 0 0 13 0, 0.0 3,-2.2 0, 0.0 -35,-0.2 -0.272 37.7 -77.3 -63.4 151.9 0.8 17.9 49.4 86 86 A A T 3 S+ 0 0 23 1,-0.3 -33,-0.2 -35,-0.2 3,-0.1 -0.151 118.7 12.8 -44.7 133.1 -2.4 16.2 48.2 87 87 A H T 3 S+ 0 0 119 -37,-2.9 2,-0.7 -35,-0.3 -1,-0.3 0.463 87.6 132.6 71.2 3.4 -2.7 16.5 44.4 88 88 A C < - 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