==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=8-APR-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ISOMERASE 13-MAR-06 2GC2 . 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) . 16773.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 262 69.7 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 . 150 39.9 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 . 46 12.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 30 8.0 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 . 10 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 0 147 0, 0.0 2,-0.5 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0-168.8 34.6 -28.3 -27.2 2 1 A M - 0 0 180 0, 0.0 2,-0.4 0, 0.0 0, 0.0 -0.832 360.0-167.8 -98.4 127.9 35.3 -26.0 -24.2 3 2 A Y - 0 0 47 -2,-0.5 2,-0.1 320,-0.0 320,-0.1 -0.938 18.1-129.0-114.5 133.6 32.6 -25.6 -21.5 4 3 A K - 0 0 61 -2,-0.4 0, 0.0 318,-0.3 0, 0.0 -0.450 35.9 -99.7 -74.1 155.2 32.7 -23.0 -18.9 5 4 A E - 0 0 112 -2,-0.1 -1,-0.1 315,-0.1 2,-0.1 -0.639 27.3-130.4 -81.8 129.2 32.2 -24.2 -15.3 6 5 A P + 0 0 3 0, 0.0 2,-0.3 0, 0.0 314,-0.2 -0.411 35.3 173.9 -65.8 147.5 28.7 -23.9 -13.6 7 6 A F E -A 319 0A 58 312,-0.9 312,-2.7 -2,-0.1 2,-0.3 -0.981 24.9-144.4-150.2 154.2 28.9 -22.3 -10.1 8 7 A G E -A 318 0A 30 -2,-0.3 2,-0.3 310,-0.2 310,-0.2 -0.891 16.3-171.0-112.3 154.0 26.6 -21.0 -7.4 9 8 A V E -A 317 0A 33 308,-2.1 308,-3.0 -2,-0.3 2,-0.6 -0.987 24.5-116.7-137.8 148.5 27.2 -18.0 -5.2 10 9 A K E -A 316 0A 161 -2,-0.3 9,-0.7 306,-0.2 2,-0.5 -0.772 21.1-158.9 -89.1 123.8 25.4 -16.7 -2.2 11 10 A V B -G 18 0B 8 304,-2.9 2,-0.7 -2,-0.6 7,-0.2 -0.915 15.9-137.0 -90.1 128.5 23.7 -13.4 -2.4 12 11 A D > - 0 0 76 5,-2.1 4,-2.5 -2,-0.5 5,-0.2 -0.811 9.9-161.1 -87.3 114.0 23.1 -11.8 1.0 13 12 A F T 4 S+ 0 0 50 -2,-0.7 -1,-0.1 1,-0.2 135,-0.1 0.610 89.0 54.1 -74.4 -14.0 19.5 -10.4 0.9 14 13 A E T 4 S+ 0 0 124 3,-0.1 -1,-0.2 1,-0.1 -2,-0.0 0.824 128.3 14.7 -81.1 -38.0 20.3 -8.1 3.9 15 14 A T T 4 S- 0 0 58 2,-0.1 -2,-0.2 -3,-0.1 3,-0.1 0.517 90.5-128.7-115.3 -14.8 23.4 -6.4 2.4 16 15 A G < + 0 0 0 -4,-2.5 2,-0.2 1,-0.2 55,-0.2 0.463 55.3 152.3 70.4 4.3 23.2 -7.3 -1.4 17 16 A I - 0 0 54 -5,-0.2 -5,-2.1 -6,-0.1 2,-0.5 -0.472 29.4-170.9 -75.7 133.1 26.8 -8.6 -1.2 18 17 A I B > -G 11 0B 3 -2,-0.2 3,-1.2 -7,-0.2 2,-0.2 -0.996 24.7-133.3-114.3 114.5 27.9 -11.3 -3.6 19 18 A E T 3 S+ 0 0 158 -9,-0.7 3,-0.1 -2,-0.5 -9,-0.1 -0.501 88.4 21.4 -70.6 140.8 31.4 -12.5 -2.5 20 19 A G T 3 S+ 0 0 89 1,-0.3 -1,-0.2 -2,-0.2 3,-0.0 0.257 97.9 127.5 87.8 -10.0 34.0 -12.8 -5.4 21 20 A A S < S- 0 0 24 -3,-1.2 2,-0.9 1,-0.1 -1,-0.3 -0.191 73.2 -93.9 -76.8 165.8 32.0 -10.4 -7.5 22 21 A K E -H 57 0C 153 35,-2.8 35,-2.5 -3,-0.1 2,-0.3 -0.749 45.3-149.7 -80.5 109.5 33.2 -7.2 -9.3 23 22 A K E +H 56 0C 121 -2,-0.9 2,-0.4 33,-0.2 33,-0.2 -0.641 18.0 179.9 -85.6 135.5 32.5 -4.4 -6.8 24 23 A S E -H 55 0C 39 31,-2.1 31,-2.5 -2,-0.3 2,-0.4 -0.983 8.8-160.3-131.3 138.5 31.7 -0.9 -8.1 25 24 A V E -H 54 0C 48 -2,-0.4 2,-0.5 29,-0.2 29,-0.2 -0.987 1.9-163.6-120.9 130.9 30.9 2.2 -5.9 26 25 A R E -H 53 0C 67 27,-3.1 26,-3.1 -2,-0.4 27,-1.5 -0.967 9.8-175.2-111.2 120.2 29.1 5.4 -7.1 27 26 A R E > -H 51 0C 105 -2,-0.5 3,-1.4 24,-0.3 24,-0.2 -0.567 45.2-100.2 -97.5 168.0 29.4 8.5 -4.9 28 27 A L G > S+ 0 0 0 22,-1.8 3,-2.3 1,-0.3 17,-0.1 0.865 122.4 65.8 -60.0 -34.7 27.6 11.7 -5.6 29 28 A S G > S+ 0 0 55 1,-0.3 3,-0.6 21,-0.1 -1,-0.3 0.776 96.2 58.7 -55.9 -23.7 30.9 13.1 -7.1 30 29 A D G < S+ 0 0 66 -3,-1.4 -1,-0.3 1,-0.2 -2,-0.2 0.409 99.4 62.0 -84.4 3.8 30.5 10.4 -9.8 31 30 A M G X + 0 0 0 -3,-2.3 3,-1.4 -4,-0.1 4,-0.5 -0.200 63.6 156.6-129.3 40.3 27.1 11.9 -10.7 32 31 A E T < S+ 0 0 132 -3,-0.6 -3,-0.0 1,-0.2 6,-0.0 -0.455 73.3 18.4 -63.2 135.1 27.7 15.4 -11.9 33 32 A G T 3 S+ 0 0 41 -2,-0.1 -1,-0.2 2,-0.1 135,-0.1 0.613 100.7 97.8 82.1 11.6 24.9 16.6 -14.2 34 33 A Y < + 0 0 26 -3,-1.4 2,-0.3 4,-0.1 -2,-0.1 0.782 67.6 65.1 -97.1 -33.2 22.4 14.0 -13.0 35 34 A F S S- 0 0 4 -4,-0.5 -2,-0.1 1,-0.1 6,-0.1 -0.685 73.7-132.2-104.2 148.6 20.3 15.8 -10.4 36 35 A V S S+ 0 0 36 -2,-0.3 2,-1.4 1,-0.2 3,-0.1 0.927 97.9 61.2 -64.0 -48.2 18.0 18.7 -10.9 37 36 A D > + 0 0 71 42,-0.4 4,-2.0 1,-0.2 -1,-0.2 -0.636 63.4 176.9 -86.4 90.0 19.3 20.8 -8.0 38 37 A E H > S+ 0 0 85 -2,-1.4 4,-2.7 1,-0.2 -1,-0.2 0.789 78.7 52.8 -66.4 -35.2 22.9 21.3 -9.0 39 38 A R H > S+ 0 0 208 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.883 109.2 48.8 -67.4 -43.0 23.7 23.6 -6.0 40 39 A A H > S+ 0 0 20 2,-0.2 4,-2.7 1,-0.2 -2,-0.2 0.928 112.5 50.1 -58.9 -40.5 22.3 21.0 -3.6 41 40 A W H X S+ 0 0 16 -4,-2.0 4,-2.3 1,-0.2 -2,-0.2 0.921 111.5 47.6 -64.1 -47.2 24.5 18.4 -5.5 42 41 A K H X S+ 0 0 103 -4,-2.7 4,-2.6 2,-0.2 -1,-0.2 0.914 112.5 47.9 -61.3 -48.3 27.6 20.7 -5.2 43 42 A E H X S+ 0 0 111 -4,-2.6 4,-2.6 1,-0.2 -2,-0.2 0.921 113.3 48.4 -58.9 -48.4 27.1 21.3 -1.4 44 43 A L H X>S+ 0 0 29 -4,-2.7 4,-2.5 -5,-0.2 5,-2.5 0.871 111.8 48.6 -63.0 -41.0 26.5 17.6 -0.7 45 44 A V H <5S+ 0 0 31 -4,-2.3 -2,-0.2 3,-0.2 -1,-0.2 0.951 114.3 46.2 -60.0 -50.0 29.6 16.6 -2.6 46 45 A E H <5S+ 0 0 143 -4,-2.6 -2,-0.2 -5,-0.2 -1,-0.2 0.872 120.5 40.8 -61.0 -35.8 31.7 19.3 -0.8 47 46 A K H <5S- 0 0 139 -4,-2.6 -2,-0.2 -5,-0.2 -3,-0.2 0.969 140.7 -17.8 -77.0 -57.8 30.3 18.2 2.6 48 47 A E T <5 - 0 0 128 -4,-2.5 -3,-0.2 -5,-0.2 -2,-0.1 0.653 61.7-148.8-123.6 -32.5 30.1 14.4 2.6 49 48 A D < - 0 0 32 -5,-2.5 -4,-0.2 -6,-0.1 3,-0.1 0.966 35.1-159.0 36.0 67.0 30.3 13.0 -0.9 50 49 A P - 0 0 24 0, 0.0 -22,-1.8 0, 0.0 2,-0.2 -0.284 19.8-100.3 -71.1 151.5 28.1 10.1 0.1 51 50 A V E -H 27 0C 25 -24,-0.2 -24,-0.3 1,-0.2 3,-0.1 -0.536 31.8-176.0 -59.8 128.8 27.8 6.7 -1.6 52 51 A V E - 0 0 0 -26,-3.1 23,-2.7 1,-0.4 2,-0.3 0.829 65.2 -11.0 -93.9 -50.8 24.7 6.6 -3.7 53 52 A Y E -HI 26 74C 14 -27,-1.5 -27,-3.1 21,-0.3 -1,-0.4 -0.992 50.0-149.0-150.1 158.4 25.0 3.0 -4.7 54 53 A E E -HI 25 73C 23 19,-1.7 19,-2.5 -2,-0.3 2,-0.4 -0.908 15.6-157.5-118.5 147.6 27.2 -0.1 -4.8 55 54 A V E -HI 24 72C 29 -31,-2.5 -31,-2.1 -2,-0.3 2,-0.5 -0.985 8.1-164.6-127.5 136.5 27.1 -2.8 -7.5 56 55 A Y E -HI 23 71C 15 15,-2.4 15,-1.8 -2,-0.4 2,-0.4 -0.947 23.8-169.8-117.5 104.2 28.3 -6.5 -7.2 57 56 A A E -HI 22 70C 11 -35,-2.5 -35,-2.8 -2,-0.5 2,-0.6 -0.850 25.3-168.3-110.6 130.7 28.6 -7.8 -10.8 58 57 A V E - I 0 69C 20 11,-3.0 11,-1.8 -2,-0.4 2,-0.4 -0.930 30.1-176.2-108.0 102.1 29.2 -11.4 -12.1 59 58 A E - 0 0 90 -2,-0.6 2,-0.2 9,-0.2 9,-0.1 -0.825 19.7-161.5-116.2 137.4 30.0 -10.8 -15.7 60 59 A Q - 0 0 35 -2,-0.4 8,-0.0 1,-0.2 2,-0.0 -0.530 45.3 -78.3 -98.6 171.2 30.6 -13.2 -18.7 61 60 A E - 0 0 136 -2,-0.2 2,-1.9 1,-0.1 -1,-0.2 -0.364 60.9 -87.9 -66.7 157.0 32.3 -12.2 -21.9 62 61 A E S S+ 0 0 145 94,-0.1 2,-0.4 -3,-0.1 94,-0.2 -0.446 75.2 142.3 -74.6 83.9 30.1 -10.3 -24.3 63 62 A K > - 0 0 139 -2,-1.9 3,-1.6 1,-0.0 93,-0.3 -0.960 55.6-100.9-129.3 141.6 28.5 -13.2 -26.3 64 63 A E T 3 S+ 0 0 97 -2,-0.4 3,-0.1 1,-0.2 189,-0.0 -0.234 106.4 17.7 -55.3 137.1 25.0 -13.8 -27.7 65 64 A G T 3 S+ 0 0 13 1,-0.3 221,-2.3 220,-0.1 -1,-0.2 0.153 99.3 113.7 87.3 -21.0 22.9 -16.1 -25.5 66 65 A D < - 0 0 5 -3,-1.6 89,-2.6 219,-0.2 2,-0.4 -0.373 54.8-138.7 -86.1 162.6 25.0 -15.7 -22.4 67 66 A L E - J 0 154C 2 87,-0.3 2,-0.3 88,-0.1 220,-0.1 -0.963 13.2-166.1-130.7 143.5 23.9 -14.0 -19.2 68 67 A N E - J 0 153C 6 85,-3.0 85,-2.1 -2,-0.4 2,-0.3 -0.787 9.4-167.7-107.8 158.7 25.3 -11.6 -16.5 69 68 A F E +IJ 58 152C 0 -11,-1.8 -11,-3.0 -2,-0.3 2,-0.3 -0.986 8.6 171.2-145.9 156.1 23.8 -10.8 -13.1 70 69 A A E -IJ 57 151C 4 81,-1.9 81,-3.4 -2,-0.3 2,-0.3 -0.971 23.3-136.7-158.8 141.9 24.5 -8.1 -10.5 71 70 A T E -IJ 56 150C 0 -15,-1.8 -15,-2.4 -2,-0.3 2,-0.4 -0.759 17.4-155.9 -96.5 154.1 23.1 -6.8 -7.3 72 71 A T E -IJ 55 149C 13 77,-1.9 77,-1.6 -2,-0.3 2,-0.6 -0.991 7.7-157.8-129.3 139.0 22.8 -3.1 -6.5 73 72 A V E -IJ 54 148C 4 -19,-2.5 -19,-1.7 -2,-0.4 2,-0.7 -0.942 13.8-166.1-114.1 102.4 22.6 -1.5 -3.1 74 73 A L E -IJ 53 147C 0 73,-3.0 73,-2.9 -2,-0.6 -21,-0.3 -0.844 16.0-138.1 -99.3 111.9 21.0 1.9 -3.6 75 74 A Y - 0 0 73 -23,-2.7 2,-0.3 -2,-0.7 66,-0.2 -0.199 21.7-105.4 -69.3 151.3 21.5 4.0 -0.4 76 75 A P + 0 0 50 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.630 66.1 108.6 -76.6 144.8 18.6 6.1 0.9 77 76 A G - 0 0 24 64,-0.4 7,-2.7 -2,-0.3 2,-0.3 -0.925 48.9-126.7 168.0 167.8 19.0 9.8 0.3 78 77 A K E -N 83 0D 74 5,-0.3 2,-0.6 -2,-0.3 5,-0.2 -0.976 7.8-149.4-134.6 148.5 17.9 13.0 -1.5 79 78 A V E > S-N 82 0D 0 3,-2.4 3,-1.6 -2,-0.3 2,-0.6 -0.961 87.8 -44.3-112.1 104.1 19.7 15.7 -3.6 80 79 A G T 3 S- 0 0 41 -2,-0.6 -2,-0.0 1,-0.2 -42,-0.0 -0.667 126.9 -25.5 65.7-112.7 17.4 18.6 -2.6 81 80 A K T 3 S+ 0 0 130 -2,-0.6 94,-2.8 -3,-0.1 2,-0.5 0.357 117.5 104.3-107.3 -2.5 13.9 17.1 -3.0 82 81 A E E < S-NO 79 174D 8 -3,-1.6 -3,-2.4 92,-0.2 92,-0.2 -0.745 71.0-123.4 -99.5 119.9 15.0 14.4 -5.5 83 82 A F E -N 78 0D 6 90,-1.9 -5,-0.3 -2,-0.5 90,-0.2 -0.253 35.8 -93.2 -63.7 145.1 15.5 10.8 -4.3 84 83 A F + 0 0 10 -7,-2.7 57,-2.5 57,-0.3 2,-0.3 -0.300 55.8 173.1 -50.3 136.9 18.8 9.0 -4.8 85 84 A F B -Q 140 0E 4 55,-0.2 55,-0.2 -3,-0.1 2,-0.2 -0.884 34.4 -97.8-142.5 167.7 18.9 7.0 -8.1 86 85 A T - 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