==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-JAN-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ISOMERASE 30-JUN-10 3NRE . COMPND 2 MOLECULE: ALDOSE 1-EPIMERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR JOINT CENTER FOR STRUCTURAL GENOMICS (JCSG) . 1164 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 45021.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 729 62.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 8 0.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 496 42.6 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 8 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 4 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 21 1.8 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-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 . 66 5.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 105 9.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 9 0.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 7 0.6 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 . 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 0 0 0 0 PARALLEL BRIDGES PER LADDER . 17 8 14 13 9 14 0 7 9 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 . 8 0 0 0 0 0 0 4 0 0 4 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 G 0 0 95 0, 0.0 2,-0.1 0, 0.0 17,-0.1 0.000 360.0 360.0 360.0-178.4 11.8 55.0 60.3 2 1 A X - 0 0 95 15,-0.1 2,-0.4 16,-0.0 15,-0.0 -0.394 360.0-173.3 -73.7 135.9 14.4 52.4 61.5 3 2 A T - 0 0 53 -2,-0.1 15,-2.0 2,-0.0 2,-0.5 -0.994 12.0-160.2-131.7 137.1 13.7 50.8 64.8 4 3 A I E -A 17 0A 52 -2,-0.4 2,-0.4 13,-0.2 13,-0.2 -0.961 9.5-161.5-116.3 127.3 15.9 48.4 66.8 5 4 A Y E -A 16 0A 35 11,-3.1 11,-2.4 -2,-0.5 2,-0.4 -0.884 5.4-153.8-109.1 131.3 14.3 46.2 69.4 6 5 A T E -A 15 0A 63 -2,-0.4 2,-0.3 9,-0.2 9,-0.2 -0.904 11.3-177.3-110.7 135.8 16.3 44.6 72.2 7 6 A L E +A 14 0A 1 7,-2.6 7,-2.5 -2,-0.4 2,-0.3 -0.938 8.3 178.6-119.4 152.3 15.5 41.4 74.1 8 7 A S E +A 13 0A 64 91,-2.6 2,-0.3 -2,-0.3 5,-0.2 -0.998 17.9 174.6-152.7 153.0 17.4 39.9 76.9 9 8 A H E > S-A 12 0A 78 3,-2.2 3,-2.2 -2,-0.3 2,-0.2 -0.833 70.1 -39.7-153.7 123.6 17.4 37.0 79.3 10 9 A G T 3 S- 0 0 75 -2,-0.3 115,-0.1 1,-0.3 116,-0.1 -0.461 127.0 -20.4 61.4-125.4 20.2 36.3 81.7 11 10 A S T 3 S+ 0 0 45 114,-0.3 18,-3.0 -2,-0.2 2,-0.4 0.428 117.3 100.6 -94.8 -2.2 23.5 37.0 79.8 12 11 A L E < +AB 9 28A 2 -3,-2.2 -3,-2.2 16,-0.2 2,-0.4 -0.713 47.5 179.8 -91.0 138.5 21.9 36.6 76.4 13 12 A K E -AB 8 27A 95 14,-2.2 14,-2.5 -2,-0.4 2,-0.4 -0.998 6.6-170.5-139.2 138.2 20.9 39.7 74.4 14 13 A L E -AB 7 26A 0 -7,-2.5 -7,-2.6 -2,-0.4 2,-0.4 -0.996 6.0-162.1-130.4 134.3 19.3 40.0 71.0 15 14 A D E -AB 6 25A 6 10,-2.4 9,-2.9 -2,-0.4 10,-1.3 -0.955 12.8-175.4-112.9 136.9 18.8 43.1 68.8 16 15 A V E -AB 5 23A 0 -11,-2.4 -11,-3.1 -2,-0.4 2,-0.4 -0.989 10.3-149.6-133.7 138.3 16.3 43.0 65.9 17 16 A S E > -AB 4 22A 0 5,-3.1 5,-0.6 -2,-0.4 4,-0.3 -0.871 18.8-140.0-108.4 146.1 15.5 45.6 63.3 18 17 A D T 5S+ 0 0 11 -15,-2.0 74,-3.1 -2,-0.4 2,-1.1 0.547 84.8 95.1 -71.9 -11.6 12.2 46.4 61.5 19 18 A Q B > 5S-L 91 0B 41 -16,-0.3 3,-0.8 1,-0.2 72,-0.2 -0.752 117.3 -20.5 -82.6 100.5 14.3 46.8 58.3 20 19 A G T 3 5S- 0 0 1 70,-2.9 -1,-0.2 -2,-1.1 71,-0.1 0.515 102.0 -90.2 83.2 -2.5 14.0 43.4 56.8 21 20 A G T 3 5S+ 0 0 1 -4,-0.3 2,-0.2 69,-0.2 -1,-0.2 0.876 79.7 164.3 62.4 34.9 13.1 41.7 60.0 22 21 A V E < < -B 17 0A 1 -3,-0.8 -5,-3.1 -5,-0.6 2,-0.4 -0.560 44.8-123.1 -92.4 145.2 16.7 41.1 60.6 23 22 A I E -BC 16 48A 2 25,-2.0 24,-2.9 -7,-0.2 25,-1.2 -0.747 22.3-173.2 -76.1 132.9 18.7 40.2 63.6 24 23 A E E - 0 0 2 -9,-2.9 13,-2.6 -2,-0.4 2,-0.2 0.442 66.2 -2.8-107.2 -6.9 21.3 42.9 64.2 25 24 A G E -B 15 0A 0 -10,-1.3 -10,-2.4 11,-0.2 -1,-0.4 -0.854 46.4-171.4-177.2 149.8 23.1 41.1 67.1 26 25 A F E +B 14 0A 0 8,-0.4 7,-3.1 -2,-0.2 8,-1.4 -0.921 27.9 168.3-147.3 117.1 23.0 38.1 69.3 27 26 A W E -BD 13 32A 40 -14,-2.5 -14,-2.2 -2,-0.3 2,-0.5 -0.923 37.3-149.4-134.7 150.6 25.4 38.0 72.3 28 27 A R E > S-BD 12 31A 29 3,-2.2 3,-2.4 -2,-0.3 -16,-0.2 -0.992 87.2 -44.6-115.4 113.5 26.3 36.1 75.5 29 28 A D T 3 S- 0 0 114 -18,-3.0 -16,-0.1 -2,-0.5 -2,-0.0 -0.458 125.2 -28.3 54.7-126.8 27.8 38.9 77.7 30 29 A T T 3 S+ 0 0 131 -3,-0.1 -1,-0.3 -2,-0.1 -19,-0.0 0.380 115.5 108.8 -96.3 4.7 30.1 40.7 75.2 31 30 A T E < -D 28 0A 20 -3,-2.4 -3,-2.2 187,-0.0 2,-0.4 -0.680 67.8-133.2 -87.7 121.4 30.7 37.5 73.0 32 31 A P E -D 27 0A 39 0, 0.0 -5,-0.2 0, 0.0 3,-0.1 -0.623 22.7-179.1 -78.3 126.1 29.0 37.6 69.6 33 32 A L S S+ 0 0 0 -7,-3.1 2,-0.3 -2,-0.4 -6,-0.2 0.673 80.5 28.9 -90.2 -34.6 27.2 34.4 68.8 34 33 A L S S- 0 0 0 -8,-1.4 -8,-0.4 118,-0.2 118,-0.3 -0.896 111.1 -82.5-114.8 158.6 26.2 35.8 65.4 35 34 A R - 0 0 38 116,-2.7 116,-0.2 -2,-0.3 2,-0.1 -0.405 56.2-106.8 -56.0 129.5 28.2 38.3 63.5 36 35 A P - 0 0 65 0, 0.0 -11,-0.2 0, 0.0 -1,-0.1 -0.390 37.1-124.9 -62.2 133.3 27.4 41.7 64.8 37 36 A G - 0 0 17 -13,-2.6 9,-0.3 1,-0.1 -13,-0.1 -0.321 2.6-133.2 -73.3 156.8 25.2 43.7 62.4 38 37 A K - 0 0 153 7,-1.8 8,-0.1 4,-0.2 -1,-0.1 0.528 28.8-134.7 -83.1 -7.9 26.0 47.1 61.1 39 38 A K + 0 0 83 6,-0.2 4,-0.1 3,-0.1 7,-0.1 0.898 64.3 133.4 53.8 41.4 22.5 48.5 61.7 40 39 A S S S- 0 0 55 2,-0.3 -1,-0.1 5,-0.0 3,-0.1 0.572 75.7-113.9 -97.0 -15.4 22.7 50.0 58.2 41 40 A G S S+ 0 0 33 1,-0.3 2,-0.6 -22,-0.1 3,-0.1 0.452 85.1 115.3 84.5 6.1 19.3 48.9 57.0 42 41 A V > - 0 0 73 1,-0.1 3,-2.0 -22,-0.0 -2,-0.3 -0.938 61.8-147.8-107.7 118.4 20.9 46.6 54.5 43 42 A A G > S+ 0 0 8 -2,-0.6 3,-1.8 45,-0.3 -1,-0.1 0.818 94.2 62.2 -59.3 -34.0 20.1 43.0 55.3 44 43 A T G 3 S+ 0 0 41 1,-0.3 -1,-0.3 -3,-0.1 5,-0.0 0.529 102.5 53.4 -72.2 -4.8 23.4 41.6 54.0 45 44 A D G < S+ 0 0 45 -3,-2.0 -7,-1.8 3,-0.0 -1,-0.3 0.376 98.1 88.6-101.0 1.3 25.2 43.7 56.7 46 45 A A S < S- 0 0 0 -3,-1.8 -22,-0.2 -9,-0.3 3,-0.1 -0.030 87.0-110.1 -91.3-173.7 23.0 42.2 59.5 47 46 A S S S- 0 0 0 -24,-2.9 104,-2.9 1,-0.4 -12,-0.3 0.707 93.8 -10.5 -87.0 -28.5 23.4 39.1 61.7 48 47 A C E -CE 23 150A 3 -25,-1.2 -25,-2.0 102,-0.3 -1,-0.4 -0.889 59.7-161.6-167.8 143.1 20.5 37.1 60.1 49 48 A F E - E 0 149A 2 100,-0.7 100,-2.3 -2,-0.3 2,-0.1 -0.964 23.4-114.6-134.3 154.2 17.7 37.7 57.7 50 49 A P E - E 0 148A 0 0, 0.0 2,-0.6 0, 0.0 38,-0.5 -0.469 16.6-141.2 -85.6 151.9 14.4 35.7 57.0 51 50 A L E - E 0 147A 0 96,-2.7 96,-1.1 -2,-0.1 34,-0.2 -0.965 31.0-174.6-114.8 110.2 13.7 34.0 53.7 52 51 A V B +m 85 0C 0 32,-0.9 35,-1.8 -2,-0.6 34,-1.7 -0.931 61.5 7.5-158.2 132.8 10.0 34.3 52.7 53 52 A P S S- 0 0 0 0, 0.0 92,-2.5 0, 0.0 2,-0.3 -0.940 135.5 -22.4 -97.3 13.3 8.1 33.4 50.5 54 53 A F - 0 0 1 90,-0.2 2,-0.3 2,-0.1 -2,-0.2 -0.950 67.4-107.0-165.6 170.4 11.0 31.0 49.5 55 54 A A - 0 0 1 -2,-0.3 30,-0.1 -4,-0.2 201,-0.0 -0.774 69.2 -9.6-104.6 152.6 14.7 30.8 49.8 56 55 A N S S- 0 0 4 -2,-0.3 28,-2.1 204,-0.1 29,-0.4 -0.300 95.6 -38.8 70.5-147.5 17.5 31.3 47.2 57 56 A R B -N 83 0D 18 26,-0.2 204,-0.7 27,-0.1 2,-0.6 -0.823 34.1-138.3-119.3 155.1 16.9 31.7 43.4 58 57 A V > - 0 0 1 24,-0.5 3,-2.6 -2,-0.3 4,-0.2 -0.969 40.5-118.0-111.0 109.6 14.6 30.2 40.8 59 58 A S G > S+ 0 0 0 -2,-0.6 3,-0.5 1,-0.3 294,-0.1 -0.256 97.4 14.5 -58.0 131.1 16.8 29.6 37.7 60 59 A G G 3 S- 0 0 0 1,-0.2 -1,-0.3 292,-0.1 292,-0.1 0.326 110.8-100.2 87.8 -4.8 15.6 31.7 34.8 61 60 A N G < S+ 0 0 1 -3,-2.6 11,-2.7 1,-0.2 2,-0.3 0.860 96.7 88.9 55.2 38.6 13.3 33.9 37.0 62 61 A R E < +O 71 0E 8 -3,-0.5 2,-0.3 9,-0.2 9,-0.2 -0.989 46.1 170.7-155.9 161.2 10.3 31.8 35.9 63 62 A F E -O 70 0E 0 7,-1.9 7,-3.0 -2,-0.3 2,-0.5 -0.971 28.4-121.6-165.2 158.9 8.4 28.7 36.8 64 63 A V E +O 69 0E 59 199,-0.4 2,-0.4 -2,-0.3 5,-0.2 -0.940 26.9 179.3-107.7 132.3 5.2 26.8 36.0 65 64 A W E > S-O 68 0E 27 3,-2.5 3,-1.5 -2,-0.5 -2,-0.0 -0.976 70.2 -18.0-136.0 124.8 2.6 26.1 38.7 66 65 A Q T 3 S- 0 0 137 -2,-0.4 -1,-0.1 1,-0.3 3,-0.1 0.908 130.4 -48.2 47.0 51.2 -0.7 24.3 38.1 67 66 A G T 3 S+ 0 0 78 1,-0.2 2,-0.4 -3,-0.0 -1,-0.3 0.506 115.4 110.2 72.5 10.9 -0.4 24.9 34.3 68 67 A R E < -O 65 0E 134 -3,-1.5 -3,-2.5 2,-0.0 2,-0.5 -0.943 62.6-131.5-125.3 139.0 0.4 28.7 34.5 69 68 A E E -O 64 0E 75 -2,-0.4 2,-0.4 -5,-0.2 -5,-0.2 -0.756 24.3-170.3 -90.3 123.0 3.8 30.4 33.7 70 69 A Y E -O 63 0E 21 -7,-3.0 -7,-1.9 -2,-0.5 2,-0.4 -0.905 4.1-158.0-113.9 143.8 4.9 32.9 36.4 71 70 A Q E -O 62 0E 55 -2,-0.4 2,-0.3 -9,-0.2 -9,-0.2 -0.978 1.5-157.5-129.5 134.6 7.8 35.4 35.9 72 71 A L - 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