==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=5-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ISOMERASE 11-FEB-03 1J3P . COMPND 2 MOLECULE: PHOSPHOGLUCOSE ISOMERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: THERMOCOCCUS LITORALIS; . AUTHOR J.-J.JEONG,S.FUSHINOBU,S.ITO,M.HIDAKA,H.SHOUN,T.WAKAGI . 370 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 16532.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 260 70.3 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 40.0 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 . 2 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 2 0.5 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 . 45 12.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 29 7.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 26 7.0 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 1 1 0 0 1 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 . 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 4 8 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 1 A M 0 0 197 0, 0.0 2,-0.2 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 145.6 46.1 40.1 35.3 2 2 A K - 0 0 193 1,-0.0 2,-0.5 0, 0.0 0, 0.0 -0.522 360.0-125.9 -80.7 154.0 42.4 39.9 34.7 3 3 A Y - 0 0 52 -2,-0.2 317,-0.1 317,-0.0 296,-0.0 -0.906 27.1-121.1-101.4 125.8 40.6 36.7 35.5 4 4 A K - 0 0 61 -2,-0.5 317,-0.0 315,-0.2 -1,-0.0 -0.350 31.6-110.8 -63.6 148.1 38.6 35.4 32.6 5 5 A E - 0 0 86 312,-0.1 -1,-0.1 1,-0.1 2,-0.1 -0.617 24.1-126.7 -84.8 137.7 34.9 35.0 33.3 6 6 A P + 0 0 2 0, 0.0 2,-0.3 0, 0.0 311,-0.2 -0.426 35.2 179.7 -75.7 159.1 33.4 31.5 33.6 7 7 A F E -A 316 0A 63 309,-1.2 309,-2.6 -2,-0.1 2,-0.4 -0.990 26.1-134.4-157.0 161.6 30.4 30.9 31.4 8 8 A G E -A 315 0A 31 -2,-0.3 2,-0.4 307,-0.2 307,-0.2 -0.979 20.0-174.2-122.1 133.2 27.8 28.3 30.4 9 9 A V E -A 314 0A 7 305,-2.4 305,-2.9 -2,-0.4 2,-0.4 -0.967 25.4-118.0-125.7 145.9 26.8 27.6 26.8 10 10 A K E -A 313 0A 75 -2,-0.4 9,-2.6 303,-0.2 2,-0.5 -0.705 19.3-158.9 -90.3 128.8 24.0 25.3 25.6 11 11 A L B -G 18 0B 0 301,-2.4 2,-0.7 -2,-0.4 7,-0.2 -0.917 16.0-136.7-104.2 127.0 24.9 22.3 23.5 12 12 A D > - 0 0 50 5,-2.8 4,-2.8 -2,-0.5 5,-0.2 -0.768 7.4-156.5 -88.0 113.5 21.9 20.9 21.5 13 13 A F T 4 S+ 0 0 58 -2,-0.7 -1,-0.2 1,-0.2 135,-0.1 0.742 90.9 47.2 -59.7 -26.7 22.0 17.1 21.7 14 14 A E T 4 S+ 0 0 123 1,-0.1 -1,-0.2 3,-0.1 -2,-0.0 0.866 124.9 24.7 -86.3 -37.9 20.0 16.7 18.5 15 15 A T T 4 S- 0 0 58 2,-0.2 -2,-0.2 -3,-0.1 3,-0.1 0.609 92.1-129.6-102.6 -15.7 21.9 19.1 16.2 16 16 A G < + 0 0 0 -4,-2.8 2,-0.2 1,-0.3 40,-0.2 0.404 58.3 146.5 81.0 -3.5 25.3 19.2 17.8 17 17 A I - 0 0 72 -5,-0.2 -5,-2.8 -6,-0.1 2,-0.5 -0.462 37.0-154.8 -73.4 133.5 25.2 23.0 17.8 18 18 A I B > -G 11 0B 3 -7,-0.2 3,-1.7 -2,-0.2 -7,-0.2 -0.940 25.1-114.8-109.5 124.2 26.8 24.9 20.6 19 19 A E T 3 S+ 0 0 87 -9,-2.6 3,-0.1 -2,-0.5 37,-0.0 -0.270 96.8 7.3 -57.9 138.9 25.4 28.4 21.3 20 20 A N T 3 S+ 0 0 146 1,-0.2 -1,-0.3 -11,-0.1 2,-0.2 0.648 96.7 139.3 63.5 18.9 27.9 31.2 20.7 21 21 A A < - 0 0 23 -3,-1.7 2,-0.6 37,-0.1 37,-0.2 -0.534 59.8-107.7 -91.0 159.9 30.5 28.8 19.1 22 22 A K E -H 57 0C 117 35,-3.2 35,-2.6 -2,-0.2 2,-0.4 -0.792 35.6-142.9 -89.6 121.2 32.6 29.6 16.1 23 23 A K E -H 56 0C 105 -2,-0.6 2,-0.4 33,-0.2 33,-0.2 -0.686 19.1-178.0 -91.5 134.2 31.4 27.6 13.0 24 24 A S E -H 55 0C 32 31,-2.2 31,-2.5 -2,-0.4 2,-0.4 -0.957 10.1-154.3-126.5 144.8 33.7 26.1 10.4 25 25 A V E -H 54 0C 56 -2,-0.4 2,-0.5 29,-0.2 29,-0.2 -0.979 6.7-168.3-127.4 132.8 32.7 24.2 7.3 26 26 A R E -H 53 0C 89 27,-2.5 26,-2.8 -2,-0.4 27,-1.8 -0.963 10.7-172.3-120.6 114.1 34.6 21.5 5.4 27 27 A R E > -H 51 0C 105 -2,-0.5 3,-1.7 24,-0.3 24,-0.2 -0.503 43.4 -98.8 -95.9 171.3 33.3 20.5 2.0 28 28 A L G > S+ 0 0 0 22,-2.1 3,-1.8 1,-0.3 17,-0.1 0.858 125.3 59.5 -57.9 -35.6 34.5 17.7 -0.2 29 29 A S G > S+ 0 0 47 1,-0.3 3,-0.6 21,-0.2 -1,-0.3 0.704 97.6 60.1 -66.9 -19.2 36.5 20.3 -2.2 30 30 A D G < S+ 0 0 71 -3,-1.7 -1,-0.3 1,-0.2 -2,-0.2 0.449 100.8 57.7 -86.2 -0.1 38.3 21.2 1.0 31 31 A M G X S+ 0 0 0 -3,-1.8 3,-1.8 -4,-0.2 4,-0.5 -0.243 73.1 167.5-123.1 44.9 39.6 17.7 1.2 32 32 A K T < S+ 0 0 159 -3,-0.6 -3,-0.1 1,-0.3 6,-0.0 -0.377 70.9 8.7 -63.9 131.3 41.4 17.3 -2.1 33 33 A G T 3 S+ 0 0 68 -2,-0.1 -1,-0.3 2,-0.1 5,-0.1 0.512 99.1 107.0 78.5 5.2 43.7 14.3 -2.2 34 34 A Y < + 0 0 33 -3,-1.8 2,-0.3 3,-0.1 -2,-0.1 0.797 67.0 63.4 -85.1 -30.0 42.3 12.9 1.0 35 35 A F S S- 0 0 11 -4,-0.5 -2,-0.1 1,-0.1 3,-0.1 -0.682 78.2-134.2 -96.4 149.9 40.3 10.1 -0.4 36 36 A I S S+ 0 0 66 -2,-0.3 2,-1.6 1,-0.2 3,-0.2 0.852 94.4 69.5 -71.5 -34.8 41.8 7.2 -2.3 37 37 A D > + 0 0 64 42,-0.4 4,-2.0 1,-0.2 -1,-0.2 -0.615 60.8 175.2 -87.9 83.0 39.3 7.3 -5.2 38 38 A E H > S+ 0 0 134 -2,-1.6 4,-2.5 1,-0.2 -1,-0.2 0.828 76.8 52.9 -55.9 -37.1 40.3 10.5 -6.8 39 39 A E H > S+ 0 0 135 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.911 109.1 47.1 -68.2 -42.6 37.8 10.1 -9.7 40 40 A A H > S+ 0 0 17 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.844 112.1 54.1 -66.3 -32.5 34.8 9.5 -7.4 41 41 A W H X S+ 0 0 15 -4,-2.0 4,-2.1 2,-0.2 -2,-0.2 0.966 109.6 44.1 -64.8 -54.9 36.0 12.6 -5.5 42 42 A K H X S+ 0 0 85 -4,-2.5 4,-2.2 1,-0.2 5,-0.2 0.877 112.3 54.2 -59.0 -38.6 36.1 14.9 -8.5 43 43 A K H X S+ 0 0 128 -4,-2.2 4,-2.0 1,-0.2 -1,-0.2 0.894 109.7 46.9 -63.8 -39.9 32.7 13.5 -9.7 44 44 A M H X>S+ 0 0 42 -4,-1.9 5,-2.4 2,-0.2 4,-0.9 0.828 108.3 55.5 -72.7 -31.2 31.1 14.3 -6.3 45 45 A V H ><5S+ 0 0 25 -4,-2.1 3,-1.2 3,-0.2 -2,-0.2 0.983 112.1 42.9 -62.8 -53.9 32.6 17.8 -6.2 46 46 A E H 3<5S+ 0 0 154 -4,-2.2 -2,-0.2 1,-0.3 -1,-0.2 0.856 110.1 56.8 -59.0 -39.3 31.1 18.6 -9.6 47 47 A E H 3<5S- 0 0 144 -4,-2.0 -1,-0.3 -5,-0.2 -2,-0.2 0.682 143.3 -49.2 -68.7 -17.1 27.7 17.0 -8.7 48 48 A G T <<5 - 0 0 51 -3,-1.2 -3,-0.2 -4,-0.9 -2,-0.2 0.364 58.0-124.4 169.1 -18.7 27.4 19.2 -5.7 49 49 A D < - 0 0 30 -5,-2.4 -4,-0.2 -6,-0.1 -20,-0.1 0.956 40.2-150.2 51.5 61.1 30.5 19.4 -3.4 50 50 A P - 0 0 48 0, 0.0 -22,-2.1 0, 0.0 2,-0.4 -0.097 18.6 -98.8 -60.6 157.3 28.6 18.3 -0.3 51 51 A V E -H 27 0C 29 -24,-0.2 -24,-0.3 1,-0.2 3,-0.1 -0.644 31.9-169.9 -75.4 129.3 29.6 19.4 3.2 52 52 A V E - 0 0 0 -26,-2.8 23,-2.0 -2,-0.4 2,-0.3 0.886 66.0 -12.2 -87.3 -44.8 31.6 16.6 4.8 53 53 A Y E -HI 26 74C 12 -27,-1.8 -27,-2.5 21,-0.2 2,-0.4 -0.994 52.5-150.5-158.9 150.9 31.7 18.1 8.3 54 54 A E E -HI 25 73C 24 19,-2.0 19,-2.6 -2,-0.3 2,-0.4 -0.931 14.6-153.7-120.4 144.2 30.9 21.2 10.3 55 55 A V E -HI 24 72C 27 -31,-2.5 -31,-2.2 -2,-0.4 2,-0.6 -0.976 9.1-165.8-125.6 132.9 32.6 22.3 13.6 56 56 A Y E -HI 23 71C 20 15,-2.3 15,-2.1 -2,-0.4 2,-0.3 -0.927 27.3-179.4-115.2 102.3 31.3 24.5 16.4 57 57 A A E -HI 22 70C 7 -35,-2.6 -35,-3.2 -2,-0.6 2,-0.5 -0.828 30.5-167.3-115.9 146.8 34.3 25.5 18.5 58 58 A I E + I 0 69C 21 11,-2.7 11,-1.8 -2,-0.3 2,-0.4 -0.945 29.9 179.1-124.5 101.4 34.9 27.6 21.7 59 59 A E - 0 0 93 -2,-0.5 2,-0.2 9,-0.2 9,-0.1 -0.860 19.3-150.3-115.6 146.4 38.6 28.1 21.9 60 60 A Q - 0 0 35 -2,-0.4 8,-0.0 1,-0.2 6,-0.0 -0.518 45.3 -73.5 -99.9 170.5 40.9 30.0 24.3 61 61 A E - 0 0 156 -2,-0.2 2,-2.3 1,-0.2 -1,-0.2 -0.302 62.3 -92.0 -60.9 150.9 44.2 31.7 23.5 62 62 A E S S+ 0 0 152 94,-0.1 2,-0.4 -3,-0.1 94,-0.2 -0.435 76.3 143.7 -69.0 80.1 46.9 29.1 23.0 63 63 A K > - 0 0 61 -2,-2.3 3,-1.4 1,-0.0 93,-0.3 -0.927 55.8-101.5-122.7 146.6 48.1 29.1 26.6 64 64 A E T 3 S+ 0 0 77 -2,-0.4 3,-0.1 1,-0.2 186,-0.0 -0.321 104.7 20.7 -63.5 145.1 49.4 26.1 28.6 65 65 A G T 3 S+ 0 0 10 1,-0.3 218,-2.3 217,-0.1 -1,-0.2 0.244 98.1 112.6 82.3 -15.6 46.9 24.7 31.1 66 66 A D < - 0 0 3 -3,-1.4 89,-2.0 216,-0.2 90,-0.4 -0.376 55.5-136.1 -87.2 171.2 43.8 26.0 29.3 67 67 A L E - J 0 154C 4 87,-0.3 2,-0.3 88,-0.1 217,-0.1 -0.977 11.7-164.4-134.3 143.9 41.1 24.0 27.4 68 68 A N E - J 0 153C 8 85,-3.4 85,-2.3 -2,-0.4 2,-0.3 -0.837 9.9-168.6-117.4 155.9 39.2 24.2 24.2 69 69 A F E +IJ 58 152C 1 -11,-1.8 -11,-2.7 -2,-0.3 2,-0.3 -0.996 8.8 168.3-146.3 150.8 36.1 22.3 23.2 70 70 A A E -IJ 57 151C 4 81,-2.5 81,-3.2 -2,-0.3 2,-0.3 -0.972 24.1-137.3-162.3 144.2 34.1 21.7 20.0 71 71 A T E -IJ 56 150C 0 -15,-2.1 -15,-2.3 -2,-0.3 2,-0.4 -0.743 18.3-154.8-101.3 153.1 31.4 19.6 18.5 72 72 A T E -IJ 55 149C 13 77,-2.4 77,-1.7 -2,-0.3 2,-0.7 -0.993 8.3-157.6-129.1 136.2 31.6 18.1 15.0 73 73 A V E -IJ 54 148C 6 -19,-2.6 -19,-2.0 -2,-0.4 2,-0.7 -0.947 16.3-169.2-112.7 104.2 28.7 17.2 12.8 74 74 A L E -IJ 53 147C 0 73,-2.8 73,-3.1 -2,-0.7 -21,-0.2 -0.877 14.9-140.0-100.0 112.2 30.1 14.6 10.4 75 75 A Y - 0 0 73 -23,-2.0 66,-0.2 -2,-0.7 2,-0.2 -0.313 20.6-103.1 -72.9 153.3 27.6 13.9 7.6 76 76 A P + 0 0 41 0, 0.0 2,-0.3 0, 0.0 68,-0.1 -0.490 64.0 103.7 -75.8 142.8 27.0 10.4 6.2 77 77 A G - 0 0 24 64,-0.4 7,-2.5 66,-0.4 2,-0.3 -0.916 49.5-122.0 163.2 170.8 28.5 9.5 2.8 78 78 A K E -N 83 0D 69 -2,-0.3 2,-0.8 5,-0.3 5,-0.2 -0.998 7.0-149.5-142.3 141.2 31.1 7.7 0.8 79 79 A V E > S-N 82 0D 0 3,-3.0 3,-1.9 -2,-0.3 2,-0.8 -0.928 90.7 -38.5-108.0 101.5 33.7 8.7 -1.7 80 80 A G T 3 S- 0 0 36 -2,-0.8 -2,-0.1 1,-0.3 -42,-0.0 -0.733 127.8 -34.1 76.6-116.2 33.8 5.6 -3.9 81 81 A N T 3 S+ 0 0 76 -2,-0.8 94,-2.2 -3,-0.1 2,-0.6 0.215 115.8 110.5-119.7 15.5 33.5 3.2 -1.0 82 82 A E E < S-NO 79 174D 2 -3,-1.9 -3,-3.0 92,-0.2 92,-0.2 -0.802 70.4-120.2 -94.4 120.5 35.4 5.2 1.5 83 83 A F E -N 78 0D 8 90,-1.4 -5,-0.3 -2,-0.6 90,-0.2 -0.166 33.4 -92.0 -60.1 149.1 33.3 6.7 4.4 84 84 A F + 0 0 7 -7,-2.5 57,-2.3 57,-0.4 2,-0.3 -0.330 60.6 167.1 -57.6 143.9 33.1 10.4 5.0 85 85 A M B -Q 140 0E 2 55,-0.2 55,-0.2 -3,-0.1 2,-0.1 -0.971 37.6 -96.0-156.4 165.5 35.7 11.5 7.5 86 86 A T - 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