==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ISOMERASE 18-AUG-04 1X8E . COMPND 2 MOLECULE: GLUCOSE-6-PHOSPHATE ISOMERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: PYROCOCCUS FURIOSUS; . AUTHOR J.M.BERRISFORD,J.AKERBOOM,S.BROUNS,S.E.SEDELNIKOVA, . 378 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 17513.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 256 67.7 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 . 147 38.9 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 . 43 11.4 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 . 23 6.1 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+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 1 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 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 3 9 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 0 133 0, 0.0 2,-0.7 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 168.0 69.3 7.7 -4.8 2 1 A M - 0 0 179 0, 0.0 2,-0.2 0, 0.0 0, 0.0 -0.859 360.0-156.0 -95.1 114.9 70.1 9.4 -1.5 3 2 A Y - 0 0 31 -2,-0.7 2,-0.1 1,-0.1 321,-0.1 -0.518 21.5-102.9 -87.3 150.5 66.8 10.3 0.1 4 3 A K - 0 0 53 319,-0.3 -1,-0.1 -2,-0.2 0, 0.0 -0.390 37.7-108.7 -70.6 150.5 66.4 13.1 2.7 5 4 A E - 0 0 123 -2,-0.1 2,-0.2 316,-0.1 -1,-0.1 -0.672 31.0-138.9 -82.5 121.5 66.1 12.0 6.3 6 5 A P + 0 0 1 0, 0.0 2,-0.3 0, 0.0 315,-0.1 -0.548 27.1 179.9 -74.3 153.5 62.6 12.6 7.7 7 6 A F E -A 320 0A 57 313,-0.8 313,-2.0 -2,-0.2 2,-0.4 -0.945 24.4-139.4-145.7 166.6 62.2 14.0 11.2 8 7 A G E -A 319 0A 31 -2,-0.3 2,-0.3 311,-0.2 311,-0.2 -0.988 19.1-171.7-126.3 139.6 59.7 15.1 13.9 9 8 A V E -A 318 0A 21 309,-2.6 309,-2.7 -2,-0.4 2,-0.3 -0.978 21.3-121.7-130.4 151.6 60.1 18.1 16.1 10 9 A K E -A 317 0A 131 -2,-0.3 9,-1.0 307,-0.2 2,-0.4 -0.622 22.0-166.8 -92.9 146.7 58.1 19.2 19.0 11 10 A V B -G 18 0B 10 305,-0.6 2,-0.7 -2,-0.3 7,-0.2 -0.999 17.9-137.4-131.1 130.2 56.4 22.6 19.1 12 11 A D >> - 0 0 79 5,-2.0 4,-2.5 -2,-0.4 3,-0.6 -0.797 10.1-160.1 -81.7 116.4 54.9 24.2 22.3 13 12 A F T 34 S+ 0 0 38 -2,-0.7 -1,-0.1 1,-0.2 135,-0.1 0.687 91.9 53.1 -69.5 -20.4 51.5 25.6 21.3 14 13 A E T 34 S+ 0 0 108 1,-0.1 -1,-0.2 3,-0.1 -2,-0.0 0.656 126.3 19.9 -84.0 -21.1 51.6 27.9 24.3 15 14 A T T <4 S- 0 0 54 -3,-0.6 -2,-0.2 2,-0.2 3,-0.1 0.438 87.7-134.8-126.1 -4.9 55.0 29.4 23.5 16 15 A G < + 0 0 0 -4,-2.5 55,-0.2 1,-0.2 2,-0.2 0.442 54.9 145.7 62.3 -2.4 55.6 28.7 19.8 17 16 A I - 0 0 84 -5,-0.2 -5,-2.0 -6,-0.1 2,-0.4 -0.451 32.9-163.5 -67.6 135.1 59.1 27.5 20.6 18 17 A I B > -G 11 0B 5 -7,-0.2 3,-0.8 -2,-0.2 2,-0.4 -0.980 25.6-117.4-111.9 134.4 60.5 24.7 18.4 19 18 A E T 3 S+ 0 0 109 -9,-1.0 -9,-0.1 -2,-0.4 37,-0.0 -0.588 94.9 6.3 -71.6 125.0 63.5 22.9 19.7 20 19 A G T 3 S+ 0 0 88 -2,-0.4 -1,-0.2 1,-0.2 3,-0.0 0.218 94.1 138.4 94.4 -12.2 66.6 23.3 17.4 21 20 A A < - 0 0 25 -3,-0.8 2,-1.0 1,-0.1 -1,-0.2 -0.063 66.9 -95.0 -62.0 164.2 65.0 25.8 15.0 22 21 A K E -H 57 0C 163 35,-2.1 35,-1.7 2,-0.0 -1,-0.1 -0.754 48.3-151.6 -84.4 101.9 66.7 28.9 13.5 23 22 A K E +H 56 0C 128 -2,-1.0 2,-0.3 33,-0.2 33,-0.2 -0.373 18.7 177.7 -78.4 149.5 65.7 31.6 15.9 24 23 A S E -H 55 0C 36 31,-1.3 31,-2.6 -2,-0.1 2,-0.4 -0.962 11.8-158.2-155.2 135.3 65.3 35.2 14.8 25 24 A V E -H 54 0C 49 -2,-0.3 2,-0.5 29,-0.2 29,-0.2 -0.965 1.0-164.6-122.5 132.6 64.2 38.3 16.8 26 25 A R E -H 53 0C 95 27,-2.2 26,-2.2 -2,-0.4 27,-1.7 -0.987 8.8-169.7-118.5 116.5 62.9 41.5 15.3 27 26 A R E > -H 51 0C 99 -2,-0.5 3,-1.2 24,-0.2 24,-0.2 -0.421 41.6-100.1 -91.6 174.8 62.8 44.5 17.6 28 27 A L G > S+ 0 0 0 22,-1.8 3,-2.2 1,-0.3 17,-0.1 0.823 122.0 64.4 -67.0 -31.5 61.0 47.7 16.7 29 28 A S G 3 S+ 0 0 49 1,-0.3 3,-0.3 21,-0.2 -1,-0.3 0.520 96.3 59.8 -70.1 -8.4 64.4 49.3 15.7 30 29 A D G < S+ 0 0 69 -3,-1.2 -1,-0.3 1,-0.2 -2,-0.2 0.294 96.7 64.5 -95.9 6.3 64.5 46.7 13.0 31 30 A M X> + 0 0 0 -3,-2.2 3,-1.2 -5,-0.0 4,-0.6 -0.339 64.4 157.1-127.9 47.9 61.3 48.0 11.5 32 31 A E T 34 S+ 0 0 120 -3,-0.3 -3,-0.0 1,-0.2 6,-0.0 -0.491 71.7 20.3 -69.9 144.8 62.1 51.5 10.3 33 32 A G T 34 S+ 0 0 19 2,-0.2 -1,-0.2 -2,-0.2 5,-0.1 0.190 102.5 95.5 83.3 -14.5 59.8 52.7 7.6 34 33 A Y T <4 + 0 0 32 -3,-1.2 2,-0.3 134,-0.1 -2,-0.1 0.895 69.8 61.2 -85.1 -39.8 57.1 50.2 8.5 35 34 A F S < S- 0 0 2 -4,-0.6 -2,-0.2 1,-0.1 6,-0.1 -0.660 71.5-138.1 -94.1 146.3 54.8 52.1 10.8 36 35 A V S S+ 0 0 40 -2,-0.3 2,-1.5 1,-0.2 -1,-0.1 0.930 93.5 64.3 -63.9 -55.5 52.8 55.2 9.8 37 36 A D > - 0 0 72 42,-0.4 4,-1.5 1,-0.2 -1,-0.2 -0.573 67.9-180.0 -72.7 89.3 53.3 57.3 12.9 38 37 A E H > S+ 0 0 107 -2,-1.5 4,-1.2 1,-0.2 -1,-0.2 0.689 73.4 55.6 -75.2 -18.4 57.0 57.7 12.5 39 38 A R H > S+ 0 0 216 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.875 104.4 51.5 -81.6 -41.0 57.5 59.8 15.7 40 39 A A H > S+ 0 0 19 1,-0.2 4,-2.4 2,-0.2 -2,-0.2 0.909 108.2 55.3 -57.3 -40.9 55.8 57.3 18.0 41 40 A W H X S+ 0 0 19 -4,-1.5 4,-1.3 1,-0.2 -1,-0.2 0.904 108.2 47.1 -57.6 -44.8 58.2 54.8 16.5 42 41 A K H X S+ 0 0 118 -4,-1.2 4,-1.7 2,-0.2 3,-0.3 0.940 112.4 48.8 -65.1 -46.2 61.2 57.0 17.4 43 42 A E H X S+ 0 0 144 -4,-2.5 4,-1.0 1,-0.2 -2,-0.2 0.875 113.0 47.8 -61.1 -37.2 59.9 57.6 21.0 44 43 A L H X>S+ 0 0 51 -4,-2.4 5,-2.4 -5,-0.2 4,-0.7 0.736 108.6 54.7 -79.9 -22.9 59.3 53.9 21.5 45 44 A V H ><5S+ 0 0 27 -4,-1.3 3,-0.9 -3,-0.3 -2,-0.2 0.981 110.2 41.6 -72.3 -62.6 62.7 52.7 20.2 46 45 A E H 3<5S+ 0 0 144 -4,-1.7 -2,-0.2 1,-0.2 -1,-0.2 0.766 119.2 46.7 -54.4 -32.0 65.0 54.8 22.4 47 46 A K H 3<5S- 0 0 167 -4,-1.0 -1,-0.2 -5,-0.2 -2,-0.2 0.588 141.6 -19.6 -95.6 -12.5 62.9 54.2 25.5 48 47 A E T <<5 - 0 0 133 -3,-0.9 -3,-0.2 -4,-0.7 -2,-0.1 0.316 62.7-150.9-156.6 -50.8 62.3 50.4 25.3 49 48 A D < - 0 0 31 -5,-2.4 -4,-0.2 1,-0.1 3,-0.1 0.995 35.1-151.2 57.7 63.6 62.9 49.1 21.7 50 49 A P - 0 0 11 0, 0.0 -22,-1.8 0, 0.0 2,-0.5 -0.148 15.5-100.7 -66.9 162.3 60.4 46.3 22.4 51 50 A V E -H 27 0C 31 -24,-0.2 -24,-0.2 1,-0.2 3,-0.1 -0.745 34.2-176.9 -77.4 127.6 60.4 42.9 20.8 52 51 A V E - 0 0 0 -26,-2.2 23,-1.8 -2,-0.5 2,-0.3 0.842 63.3 -13.4 -91.4 -44.9 57.8 42.9 18.0 53 52 A Y E -HI 26 74C 17 -27,-1.7 -27,-2.2 21,-0.3 2,-0.4 -0.986 48.4-147.4-160.5 152.5 58.1 39.2 17.0 54 53 A E E -HI 25 73C 35 19,-2.5 19,-2.1 -2,-0.3 2,-0.4 -0.933 18.0-157.9-110.5 139.5 60.2 36.0 17.3 55 54 A V E -HI 24 72C 29 -31,-2.6 -31,-1.3 -2,-0.4 2,-0.4 -0.942 10.5-166.9-119.7 146.1 60.4 33.5 14.5 56 55 A Y E -HI 23 71C 19 15,-2.4 15,-1.5 -2,-0.4 2,-0.2 -0.792 22.2-170.5-127.6 88.2 61.3 29.8 14.8 57 56 A A E -HI 22 70C 12 -35,-1.7 -35,-2.1 -2,-0.4 2,-0.4 -0.549 23.6-172.4 -93.8 142.9 62.0 28.5 11.2 58 57 A V E + I 0 69C 23 11,-3.0 11,-1.9 -2,-0.2 2,-0.3 -0.809 29.4 168.9-127.0 89.7 62.6 25.0 10.0 59 58 A E - 0 0 112 -2,-0.4 9,-0.1 9,-0.2 3,-0.1 -0.786 19.5-156.4-109.8 143.5 63.6 25.5 6.4 60 59 A Q - 0 0 38 -2,-0.3 2,-0.3 1,-0.2 -1,-0.1 -0.036 46.6 -62.8 -95.4-170.8 65.0 23.1 3.9 61 60 A E - 0 0 148 1,-0.1 2,-2.3 -2,-0.0 -1,-0.2 -0.700 66.7-100.3 -80.0 129.2 67.0 23.6 0.8 62 61 A E + 0 0 154 -2,-0.3 2,-0.2 -3,-0.1 -1,-0.1 -0.317 65.8 149.4 -52.5 59.9 64.8 25.7 -1.7 63 62 A K > - 0 0 112 -2,-2.3 3,-1.3 1,-0.1 92,-0.4 -0.608 54.5-100.6 -95.5 152.7 63.5 23.0 -4.1 64 63 A E T 3 S+ 0 0 73 1,-0.2 3,-0.1 -2,-0.2 -1,-0.1 -0.501 110.7 23.0 -65.4 137.3 60.2 22.9 -6.0 65 64 A G T 3 S+ 0 0 11 1,-0.3 222,-1.9 -2,-0.2 -1,-0.2 -0.037 98.2 111.7 97.7 -27.6 57.8 20.6 -4.1 66 65 A D < - 0 0 3 -3,-1.3 89,-2.5 220,-0.2 2,-0.4 -0.378 56.2-137.0 -85.4 158.6 59.5 20.9 -0.7 67 66 A L E - J 0 154C 2 87,-0.3 2,-0.3 221,-0.1 221,-0.1 -0.926 11.1-164.5-121.7 136.2 58.0 22.6 2.4 68 67 A N E - J 0 153C 10 85,-2.1 85,-1.6 -2,-0.4 2,-0.3 -0.860 13.5-160.0 -97.4 148.3 59.4 25.0 5.0 69 68 A F E -IJ 58 152C 0 -11,-1.9 -11,-3.0 -2,-0.3 2,-0.3 -0.932 9.4-179.9-126.1 166.7 57.5 25.7 8.3 70 69 A A E -IJ 57 151C 4 81,-2.0 81,-2.5 -2,-0.3 2,-0.4 -0.949 17.9-150.0-159.5 128.9 57.7 28.5 10.9 71 70 A T E -IJ 56 150C 0 -15,-1.5 -15,-2.4 -2,-0.3 2,-0.4 -0.831 18.3-163.4 -97.0 146.2 56.2 29.6 14.3 72 71 A T E -IJ 55 149C 9 77,-2.0 77,-1.6 -2,-0.4 2,-0.7 -0.998 14.7-159.1-126.0 130.5 55.9 33.3 15.1 73 72 A V E -IJ 54 148C 7 -19,-2.1 -19,-2.5 -2,-0.4 2,-0.7 -0.961 16.5-169.6 -96.3 111.1 55.3 34.9 18.5 74 73 A L E -IJ 53 147C 0 73,-3.4 73,-2.5 -2,-0.7 -21,-0.3 -0.904 15.9-141.1-101.8 107.0 54.0 38.3 17.6 75 74 A Y - 0 0 69 -23,-1.8 66,-0.2 -2,-0.7 9,-0.1 -0.313 19.9-102.3 -71.9 156.3 53.9 40.4 20.8 76 75 A P + 0 0 44 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.367 63.3 103.1 -73.1 150.9 51.1 42.8 21.6 77 76 A G - 0 0 24 64,-0.3 7,-1.6 66,-0.3 2,-0.3 -0.953 48.4-117.5 163.3-178.5 51.6 46.6 21.2 78 77 A K E -N 83 0D 61 -2,-0.3 2,-0.5 5,-0.2 5,-0.2 -0.981 3.8-153.4-147.4 149.1 51.0 49.7 19.2 79 78 A V E > S-N 82 0D 0 3,-2.4 3,-1.6 -2,-0.3 2,-0.7 -0.963 86.3 -43.9-122.1 87.6 53.0 52.3 17.4 80 79 A G T 3 S- 0 0 34 -2,-0.5 -42,-0.0 1,-0.3 94,-0.0 -0.673 123.7 -29.5 84.2-116.0 50.8 55.2 17.7 81 80 A K T 3 S+ 0 0 133 -2,-0.7 94,-2.1 -3,-0.1 2,-0.4 0.375 117.4 101.6-107.0 -5.9 47.4 53.8 16.9 82 81 A E E < S-NO 79 174D 7 -3,-1.6 -3,-2.4 92,-0.2 92,-0.3 -0.673 72.8-117.8 -95.0 138.6 48.6 51.1 14.7 83 82 A F E -N 78 0D 6 90,-2.4 -5,-0.2 -2,-0.4 90,-0.2 -0.372 32.1 -97.5 -76.4 145.3 48.9 47.5 15.8 84 83 A F + 0 0 8 -7,-1.6 57,-2.1 57,-0.3 2,-0.3 -0.251 54.7 165.7 -56.1 143.0 52.2 45.5 16.0 85 84 A F B -Q 140 0E 2 55,-0.2 55,-0.2 -3,-0.1 2,-0.1 -0.970 37.9 -90.3-153.4 169.9 52.7 43.3 12.9 86 85 A T - 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