==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=31-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ISOMERASE 13-MAR-06 2GC0 . COMPND 2 MOLECULE: GLUCOSE-6-PHOSPHATE ISOMERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: PYROCOCCUS FURIOSUS; . AUTHOR J.M.BERRISFORD,D.W.RICE,P.J.BAKER . 376 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 16771.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 265 70.5 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 . 148 39.4 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 1.1 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 . 51 13.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 29 7.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 26 6.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 0.5 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 2 0 0 0 2 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 . 9 2 0 4 2 10 0 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 . 0 0 2 2 0 2 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 0 A M 0 0 151 0, 0.0 2,-0.3 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 162.1 21.3 -19.1 -24.4 2 1 A M - 0 0 182 0, 0.0 2,-0.4 0, 0.0 0, 0.0 -0.669 360.0-156.1 -81.3 135.6 18.3 -20.8 -22.8 3 2 A Y - 0 0 52 -2,-0.3 320,-0.1 320,-0.0 2,-0.1 -0.918 21.1-114.9-108.8 142.7 15.2 -18.7 -22.2 4 3 A K - 0 0 77 -2,-0.4 -1,-0.0 318,-0.4 320,-0.0 -0.372 36.0-102.6 -73.6 153.5 12.7 -19.5 -19.6 5 4 A E - 0 0 116 -2,-0.1 2,-0.2 315,-0.1 -1,-0.1 -0.637 29.2-133.0 -81.7 127.6 9.2 -20.5 -20.7 6 5 A P + 0 0 3 0, 0.0 2,-0.3 0, 0.0 314,-0.2 -0.518 32.5 179.9 -71.5 148.4 6.4 -17.9 -20.4 7 6 A F E -A 319 0A 69 312,-1.1 312,-3.1 -2,-0.2 2,-0.4 -0.992 24.5-145.1-146.9 156.5 3.2 -19.1 -18.8 8 7 A G E -A 318 0A 34 -2,-0.3 2,-0.4 310,-0.2 310,-0.2 -0.921 14.4-169.8-112.9 145.5 -0.2 -18.0 -17.8 9 8 A V E -A 317 0A 12 308,-2.4 308,-3.0 -2,-0.4 2,-0.4 -0.995 22.3-127.2-135.8 130.4 -2.0 -19.3 -14.7 10 9 A K E -A 316 0A 138 -2,-0.4 2,-0.6 306,-0.2 9,-0.4 -0.651 24.1-164.5 -78.1 124.6 -5.7 -18.6 -13.9 11 10 A V - 0 0 2 304,-2.8 2,-0.7 -2,-0.4 7,-0.1 -0.959 14.3-142.1-115.8 115.6 -6.2 -17.2 -10.4 12 11 A D >> - 0 0 82 5,-0.7 4,-3.4 -2,-0.6 3,-1.5 -0.680 6.9-154.8 -72.7 112.0 -9.7 -17.2 -8.9 13 12 A F T 34 S+ 0 0 39 -2,-0.7 -1,-0.2 1,-0.3 135,-0.1 0.665 94.4 60.7 -64.9 -17.2 -9.9 -13.9 -7.0 14 13 A E T 34 S+ 0 0 112 1,-0.1 -1,-0.3 3,-0.1 -2,-0.0 0.697 121.4 19.4 -79.1 -23.0 -12.5 -15.6 -4.8 15 14 A T T <4 S- 0 0 50 -3,-1.5 -2,-0.2 2,-0.1 3,-0.1 0.683 82.0-141.4-118.2 -29.0 -10.0 -18.3 -3.7 16 15 A G < + 0 0 0 -4,-3.4 2,-0.2 1,-0.2 55,-0.2 0.428 49.4 151.2 71.1 0.9 -6.5 -17.0 -4.3 17 16 A I - 0 0 84 -5,-0.3 -5,-0.7 55,-0.0 2,-0.5 -0.466 28.5-166.9 -70.0 126.8 -5.5 -20.6 -5.3 18 17 A I > - 0 0 5 -2,-0.2 3,-1.1 -7,-0.1 2,-0.2 -0.976 15.8-137.4-113.4 119.1 -2.7 -20.9 -7.8 19 18 A E T 3 S+ 0 0 152 -2,-0.5 3,-0.1 -9,-0.4 37,-0.0 -0.523 89.7 23.4 -71.7 141.1 -2.2 -24.3 -9.5 20 19 A G T 3 S+ 0 0 93 1,-0.3 -1,-0.2 -2,-0.2 2,-0.1 0.324 98.9 124.1 86.3 -6.8 1.4 -25.4 -9.7 21 20 A A S < S- 0 0 24 -3,-1.1 2,-0.6 37,-0.1 -1,-0.3 -0.382 71.5-104.0 -84.4 158.4 2.5 -23.1 -6.9 22 21 A K E -G 57 0B 154 35,-2.6 35,-2.8 -2,-0.1 2,-0.5 -0.769 39.2-149.8 -75.2 120.9 4.3 -23.9 -3.6 23 22 A K E -G 56 0B 116 -2,-0.6 2,-0.4 33,-0.2 33,-0.2 -0.855 15.7-175.9 -98.6 124.4 1.6 -23.8 -0.9 24 23 A S E -G 55 0B 46 31,-2.5 31,-2.6 -2,-0.5 2,-0.4 -0.941 8.2-156.3-116.5 143.9 2.6 -22.8 2.6 25 24 A V E -G 54 0B 33 -2,-0.4 2,-0.6 29,-0.2 29,-0.2 -0.975 2.4-161.7-122.2 128.7 0.2 -22.9 5.7 26 25 A R E -G 53 0B 71 27,-3.3 26,-2.8 -2,-0.4 27,-1.7 -0.951 10.5-174.4-110.3 115.8 0.6 -20.8 8.9 27 26 A R E > -G 51 0B 108 -2,-0.6 3,-1.4 24,-0.3 24,-0.2 -0.595 42.6-103.6 -93.7 164.9 -1.3 -21.9 11.9 28 27 A L G > S+ 0 0 0 22,-2.0 3,-1.9 1,-0.3 17,-0.1 0.862 122.6 60.7 -55.5 -37.8 -1.5 -20.0 15.2 29 28 A S G > S+ 0 0 50 1,-0.3 3,-0.6 21,-0.2 -1,-0.3 0.743 96.9 60.1 -62.7 -23.0 1.0 -22.5 16.7 30 29 A D G < S+ 0 0 68 -3,-1.4 -1,-0.3 1,-0.2 -2,-0.2 0.361 100.3 62.0 -80.5 4.5 3.5 -21.4 13.9 31 30 A M G X + 0 0 0 -3,-1.9 3,-1.1 -4,-0.1 4,-0.5 -0.199 65.2 156.0-131.7 39.0 3.2 -17.9 15.4 32 31 A E T < S+ 0 0 140 -3,-0.6 -3,-0.0 1,-0.2 6,-0.0 -0.482 72.3 20.5 -66.7 138.2 4.5 -18.0 19.0 33 32 A G T 3 S+ 0 0 38 -2,-0.2 -1,-0.2 2,-0.2 135,-0.1 0.699 101.2 98.4 75.4 22.2 5.7 -14.6 20.3 34 33 A Y < + 0 0 21 -3,-1.1 2,-0.3 1,-0.1 -2,-0.1 0.768 67.1 61.5-107.0 -37.0 3.7 -12.7 17.7 35 34 A F S S- 0 0 3 -4,-0.5 -2,-0.2 1,-0.1 6,-0.1 -0.745 72.9-133.8-101.5 142.5 0.5 -11.6 19.4 36 35 A V S S+ 0 0 38 -2,-0.3 2,-1.4 1,-0.2 -1,-0.1 0.893 96.2 66.3 -55.4 -46.7 0.4 -9.3 22.4 37 36 A D > + 0 0 73 42,-0.4 4,-2.1 1,-0.2 -1,-0.2 -0.615 62.3 175.3 -87.0 88.1 -2.1 -11.5 24.4 38 37 A E H > S+ 0 0 112 -2,-1.4 4,-2.5 1,-0.2 -1,-0.2 0.824 77.6 50.9 -64.3 -37.7 -0.1 -14.6 25.1 39 38 A R H > S+ 0 0 185 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.864 110.6 50.2 -68.1 -37.4 -2.7 -16.3 27.2 40 39 A A H > S+ 0 0 17 2,-0.2 4,-1.9 1,-0.2 -2,-0.2 0.879 111.1 49.9 -63.9 -41.1 -5.3 -15.8 24.5 41 40 A W H X S+ 0 0 28 -4,-2.1 4,-2.1 2,-0.2 -2,-0.2 0.956 110.6 49.2 -60.3 -52.4 -2.8 -17.2 21.9 42 41 A K H X S+ 0 0 83 -4,-2.5 4,-1.8 1,-0.2 -2,-0.2 0.889 111.9 47.7 -56.6 -48.9 -2.1 -20.3 24.1 43 42 A E H X S+ 0 0 107 -4,-2.2 4,-2.5 1,-0.2 -1,-0.2 0.904 111.7 49.5 -58.9 -44.9 -5.8 -21.1 24.6 44 43 A L H X>S+ 0 0 39 -4,-1.9 4,-2.5 1,-0.2 5,-2.3 0.858 109.3 52.3 -67.7 -36.0 -6.7 -20.7 21.0 45 44 A V H <5S+ 0 0 32 -4,-2.1 -1,-0.2 3,-0.2 -2,-0.2 0.883 113.3 44.5 -63.9 -42.1 -3.9 -23.0 19.9 46 45 A E H <5S+ 0 0 137 -4,-1.8 -2,-0.2 -5,-0.2 -1,-0.2 0.869 119.0 41.6 -72.5 -38.8 -5.1 -25.7 22.3 47 46 A K H <5S- 0 0 147 -4,-2.5 -2,-0.2 -5,-0.2 -3,-0.2 0.905 143.0 -16.8 -75.4 -43.0 -8.8 -25.4 21.4 48 47 A E T <5 - 0 0 147 -4,-2.5 -3,-0.2 -5,-0.2 -2,-0.1 0.637 61.8-148.0-135.3 -32.7 -8.5 -25.0 17.6 49 48 A D < - 0 0 38 -5,-2.3 -4,-0.2 -6,-0.1 3,-0.1 0.966 36.7-152.9 38.9 67.9 -5.0 -24.1 16.4 50 49 A P - 0 0 26 0, 0.0 -22,-2.0 0, 0.0 2,-0.5 -0.246 16.8-107.6 -72.0 151.8 -6.7 -22.2 13.5 51 50 A V E -G 27 0B 38 -24,-0.2 -24,-0.3 1,-0.2 3,-0.1 -0.670 31.9-173.8 -68.7 123.0 -5.1 -21.6 10.1 52 51 A V E - 0 0 0 -26,-2.8 23,-2.5 -2,-0.5 2,-0.3 0.875 62.7 -15.2 -86.4 -46.5 -4.2 -17.9 10.1 53 52 A Y E -GH 26 74B 11 -27,-1.7 -27,-3.3 21,-0.2 2,-0.4 -0.998 49.6-148.4-156.7 158.2 -3.1 -17.8 6.5 54 53 A E E -GH 25 73B 25 19,-2.0 19,-2.6 -2,-0.3 2,-0.4 -0.964 14.3-155.8-123.9 145.6 -2.0 -19.7 3.4 55 54 A V E -GH 24 72B 27 -31,-2.6 -31,-2.5 -2,-0.4 2,-0.6 -0.969 7.4-164.0-123.2 133.1 0.4 -18.6 0.7 56 55 A Y E -GH 23 71B 19 15,-2.5 15,-2.1 -2,-0.4 2,-0.4 -0.954 23.8-172.2-113.7 105.1 0.5 -19.8 -2.9 57 56 A A E -GH 22 70B 10 -35,-2.8 -35,-2.6 -2,-0.6 2,-0.6 -0.864 23.6-167.1-108.9 131.8 4.0 -18.8 -4.2 58 57 A V E - H 0 69B 20 11,-3.5 11,-2.0 -2,-0.4 2,-0.4 -0.946 30.0-176.2-111.3 105.5 5.3 -18.9 -7.8 59 58 A E - 0 0 84 -2,-0.6 2,-0.1 9,-0.2 9,-0.1 -0.869 18.3-162.2-121.6 136.5 9.0 -18.3 -7.3 60 59 A Q - 0 0 38 -2,-0.4 8,-0.1 1,-0.2 2,-0.0 -0.434 45.0 -69.6 -97.0 177.2 12.0 -18.0 -9.6 61 60 A E - 0 0 132 -2,-0.1 2,-2.5 1,-0.1 -1,-0.2 -0.325 60.4 -95.3 -60.4 154.0 15.7 -18.2 -8.9 62 61 A E S S+ 0 0 139 94,-0.1 2,-0.4 -3,-0.1 94,-0.2 -0.378 75.0 143.2 -78.5 66.2 17.1 -15.4 -6.8 63 62 A K > - 0 0 116 -2,-2.5 3,-1.3 1,-0.0 93,-0.4 -0.858 56.0-104.9-108.8 142.4 18.3 -13.3 -9.7 64 63 A E T 3 S+ 0 0 78 -2,-0.4 3,-0.1 1,-0.2 -1,-0.0 -0.341 104.5 21.8 -57.2 137.2 18.2 -9.5 -10.2 65 64 A G T 3 S+ 0 0 10 1,-0.3 221,-2.8 220,-0.1 -1,-0.2 0.098 98.8 110.8 91.1 -21.4 15.5 -8.3 -12.6 66 65 A D < - 0 0 5 -3,-1.3 89,-1.8 219,-0.2 2,-0.4 -0.326 57.3-134.4 -86.5 167.2 13.3 -11.3 -12.2 67 66 A L E - I 0 154B 1 87,-0.3 2,-0.3 88,-0.1 220,-0.1 -0.977 11.9-163.4-131.8 137.3 9.9 -11.5 -10.4 68 67 A N E - I 0 153B 7 85,-3.5 85,-2.5 -2,-0.4 2,-0.3 -0.818 11.3-165.0-104.0 152.9 8.1 -13.7 -7.9 69 68 A F E +HI 58 152B 0 -11,-2.0 -11,-3.5 -2,-0.3 2,-0.3 -0.998 10.0 171.1-139.1 145.5 4.4 -13.6 -7.3 70 69 A A E -HI 57 151B 4 81,-2.4 81,-3.4 -2,-0.3 2,-0.3 -0.990 21.3-144.0-149.0 139.2 2.3 -15.1 -4.5 71 70 A T E -HI 56 150B 0 -15,-2.1 -15,-2.5 -2,-0.3 2,-0.4 -0.780 16.8-155.3 -94.3 150.5 -1.3 -14.9 -3.3 72 71 A T E -HI 55 149B 13 77,-2.4 77,-1.8 -2,-0.3 2,-0.7 -0.998 9.8-158.6-124.2 134.2 -2.2 -14.9 0.4 73 72 A V E -HI 54 148B 6 -19,-2.6 -19,-2.0 -2,-0.4 2,-0.7 -0.952 16.2-168.6-103.4 106.5 -5.4 -16.1 1.9 74 73 A L E -HI 53 147B 0 73,-3.1 73,-3.1 -2,-0.7 -21,-0.2 -0.890 15.3-140.2-102.2 110.5 -5.5 -14.3 5.3 75 74 A Y - 0 0 68 -23,-2.5 66,-0.2 -2,-0.7 2,-0.1 -0.301 18.4-104.9 -73.9 151.1 -8.3 -15.8 7.4 76 75 A P + 0 0 40 0, 0.0 2,-0.2 0, 0.0 68,-0.1 -0.430 63.7 95.1 -74.7 148.9 -10.6 -13.8 9.7 77 76 A G - 0 0 25 66,-0.4 7,-2.6 64,-0.4 2,-0.3 -0.851 51.6-111.3 156.3 174.6 -10.1 -13.8 13.5 78 77 A K E -M 83 0C 77 5,-0.3 2,-0.6 -2,-0.2 5,-0.2 -0.977 5.7-152.2-135.5 146.3 -8.7 -12.4 16.7 79 78 A V E > S-M 82 0C 1 3,-2.9 3,-1.6 -2,-0.3 2,-0.4 -0.916 86.3 -52.3-109.6 96.6 -6.1 -13.3 19.3 80 79 A G T 3 S- 0 0 41 -2,-0.6 95,-0.0 1,-0.3 -42,-0.0 -0.626 123.6 -20.0 67.1-124.1 -7.8 -11.4 22.1 81 80 A K T 3 S+ 0 0 121 -2,-0.4 94,-2.2 -3,-0.1 2,-0.5 0.597 119.1 100.2 -84.1 -15.3 -8.4 -7.8 20.8 82 81 A E E < S-MN 79 174C 6 -3,-1.6 -3,-2.9 92,-0.2 92,-0.2 -0.621 71.5-127.6 -87.3 121.5 -5.7 -8.3 18.0 83 82 A F E -M 78 0C 9 90,-2.1 -5,-0.3 -2,-0.5 90,-0.2 -0.287 35.8 -90.4 -64.0 146.9 -6.8 -9.1 14.4 84 83 A F + 0 0 10 -7,-2.6 57,-2.2 57,-0.3 2,-0.3 -0.253 58.8 169.8 -52.5 137.7 -5.3 -12.1 12.5 85 84 A F B -P 140 0D 5 55,-0.2 2,-0.2 -3,-0.1 55,-0.2 -0.910 36.4 -96.2-144.2 170.0 -2.1 -11.0 10.6 86 85 A T - 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