==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER STRUCTURAL GENOMICS, UNKNOWN FUNCTION 20-JUL-06 2HRZ . COMPND 2 MOLECULE: NUCLEOSIDE-DIPHOSPHATE-SUGAR EPIMERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: AGROBACTERIUM TUMEFACIENS; . AUTHOR R.ZHANG,X.XU,H.ZHENG,A.SAVCHENKO,A.EDWARDS,A.JOACHIMIAK,MIDW . 342 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 16693.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 240 70.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 46 13.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 8 2.3 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.3 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 . 26 7.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 35 10.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 106 31.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 8 2.3 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 2 1 1 2 1 0 1 0 2 2 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 1 2 2 0 2 1 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 . 0 1 0 1 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 ANTIPARALLEL BRIDGES PER LADDER . 2 1 0 0 0 1 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 -5 A H 0 0 191 0, 0.0 3,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 171.8 22.9 85.8 53.0 2 -4 A H + 0 0 196 1,-0.1 2,-0.4 0, 0.0 0, 0.0 0.661 360.0 84.3-124.9 -34.9 25.8 83.5 53.8 3 -3 A H + 0 0 145 2,-0.0 2,-0.3 0, 0.0 -1,-0.1 -0.639 45.1 175.5 -86.8 127.7 24.8 79.9 53.5 4 -2 A S - 0 0 62 -2,-0.4 3,-0.1 -3,-0.1 4,-0.0 -0.964 16.2-166.5-122.1 148.2 24.7 78.0 50.2 5 -1 A S - 0 0 118 -2,-0.3 2,-0.3 1,-0.2 -1,-0.1 0.322 68.2 -36.2-115.8 4.3 23.9 74.2 49.9 6 0 A G S S- 0 0 50 0, 0.0 -1,-0.2 0, 0.0 0, 0.0 -0.970 101.1 -11.4 166.9-167.9 25.1 73.7 46.4 7 1 A R + 0 0 261 -2,-0.3 -2,-0.1 1,-0.1 3,-0.0 -0.278 51.4 174.8 -54.6 139.6 25.4 75.3 42.9 8 2 A E + 0 0 108 3,-0.1 2,-0.4 -4,-0.0 -1,-0.1 0.678 42.0 92.1-120.6 -34.2 23.3 78.5 42.6 9 3 A N - 0 0 142 1,-0.2 -2,-0.0 2,-0.0 -1,-0.0 -0.564 49.2-161.7 -79.0 128.0 23.9 80.2 39.3 10 4 A L S S+ 0 0 144 -2,-0.4 2,-0.3 1,-0.0 -1,-0.2 0.872 80.7 47.2 -58.2 -39.7 21.6 79.4 36.3 11 5 A Y - 0 0 125 1,-0.1 32,-0.2 -3,-0.1 3,-0.1 -0.783 68.7-144.0-117.6 147.7 24.3 80.9 34.1 12 6 A F - 0 0 151 30,-2.3 3,-0.1 -2,-0.3 -1,-0.1 -0.127 62.5 -53.0 -82.5-169.9 28.1 80.7 33.5 13 7 A Q S S- 0 0 156 1,-0.1 -1,-0.3 30,-0.1 29,-0.0 -0.321 73.8 -93.9 -63.8 154.8 30.1 83.8 32.5 14 8 A G - 0 0 5 29,-0.2 2,-0.3 -3,-0.1 31,-0.2 -0.195 39.8-137.4 -69.0 163.7 28.7 85.6 29.5 15 9 A X E -a 45 0A 9 29,-2.7 31,-2.7 -3,-0.1 32,-1.2 -0.877 5.1-134.4-126.0 158.5 29.9 84.9 26.0 16 10 A H E -a 47 0A 17 -2,-0.3 72,-2.1 30,-0.2 73,-1.5 -0.963 22.6-164.2-111.2 118.9 30.8 86.9 22.9 17 11 A I E -ab 48 89A 0 30,-2.5 32,-2.3 -2,-0.5 2,-0.4 -0.906 1.4-161.4-104.1 131.3 29.4 85.5 19.6 18 12 A A E -ab 49 90A 0 71,-3.2 73,-3.1 -2,-0.4 2,-0.5 -0.930 2.5-167.1-108.7 138.1 30.7 86.6 16.2 19 13 A I E > -ab 50 91A 0 30,-2.9 32,-2.6 -2,-0.4 3,-0.6 -0.984 3.2-163.8-125.3 118.1 28.7 86.1 13.0 20 14 A I E 3 S+ab 51 92A 2 71,-3.0 73,-2.6 -2,-0.5 74,-0.4 -0.892 85.8 28.7 -98.1 128.7 30.4 86.5 9.7 21 15 A G T > S+ 0 0 6 30,-2.9 3,-1.5 -2,-0.5 6,-0.5 0.690 79.5 155.9 85.7 26.0 27.8 86.9 6.9 22 16 A A T < + 0 0 3 29,-1.9 9,-0.2 -3,-0.6 30,-0.2 0.647 62.1 57.1 -59.9 -20.7 25.4 88.3 9.5 23 17 A A T 3 S+ 0 0 23 28,-0.2 -1,-0.3 31,-0.2 29,-0.1 0.534 86.1 97.9 -94.7 -6.5 23.3 90.2 7.0 24 18 A G S <> S- 0 0 32 -3,-1.5 4,-2.6 1,-0.1 5,-0.3 -0.251 93.1-100.6 -70.1 165.6 22.4 87.1 4.9 25 19 A X H > S+ 0 0 21 1,-0.2 4,-2.1 2,-0.2 5,-0.2 0.930 123.4 43.8 -55.4 -47.3 19.1 85.3 5.4 26 20 A V H > S+ 0 0 22 1,-0.2 4,-2.7 2,-0.2 -1,-0.2 0.935 114.0 50.2 -65.9 -46.0 20.7 82.6 7.6 27 21 A G H > S+ 0 0 1 -6,-0.5 4,-2.4 2,-0.2 -1,-0.2 0.873 111.1 48.1 -58.5 -43.8 22.8 85.0 9.6 28 22 A R H X S+ 0 0 115 -4,-2.6 4,-2.6 2,-0.2 -1,-0.2 0.930 113.7 46.7 -65.5 -46.6 19.9 87.3 10.4 29 23 A K H X S+ 0 0 38 -4,-2.1 4,-2.2 -5,-0.3 -2,-0.2 0.879 112.2 51.5 -61.8 -40.0 17.7 84.4 11.5 30 24 A L H X S+ 0 0 0 -4,-2.7 4,-2.4 -5,-0.2 -2,-0.2 0.940 110.6 48.4 -59.2 -46.9 20.6 83.0 13.6 31 25 A T H X S+ 0 0 7 -4,-2.4 4,-2.3 1,-0.2 -2,-0.2 0.940 112.0 49.3 -59.2 -46.0 21.0 86.4 15.3 32 26 A Q H X S+ 0 0 106 -4,-2.6 4,-2.5 1,-0.2 -1,-0.2 0.890 110.5 49.6 -61.1 -42.1 17.3 86.6 16.0 33 27 A R H X S+ 0 0 93 -4,-2.2 4,-2.6 2,-0.2 5,-0.2 0.903 110.5 50.1 -64.2 -42.8 17.2 83.1 17.4 34 28 A L H X S+ 0 0 0 -4,-2.4 4,-1.8 2,-0.2 -2,-0.2 0.883 111.3 49.1 -65.1 -39.6 20.2 83.8 19.7 35 29 A V H < S+ 0 0 28 -4,-2.3 -2,-0.2 -5,-0.2 -1,-0.2 0.947 113.1 47.4 -61.8 -48.2 18.6 87.0 21.0 36 30 A K H < S+ 0 0 187 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.883 114.5 45.2 -60.1 -44.2 15.2 85.2 21.6 37 31 A D H < S- 0 0 73 -4,-2.6 -1,-0.2 -5,-0.1 -2,-0.2 0.791 93.0-153.7 -70.9 -31.5 16.9 82.3 23.5 38 32 A G < + 0 0 39 -4,-1.8 7,-2.3 -5,-0.2 2,-0.3 0.041 64.7 34.7 83.7 -28.4 19.1 84.8 25.4 39 33 A S E S-G 44 0B 19 5,-0.3 2,-0.3 2,-0.1 3,-0.1 -0.867 79.1-110.2-146.2 174.8 21.9 82.3 26.0 40 34 A L E > S-G 43 0B 6 3,-2.3 3,-0.7 -2,-0.3 2,-0.4 -0.877 87.1 -56.8-151.4 111.4 23.8 79.4 24.5 41 35 A G T 3 S- 0 0 54 -2,-0.3 -2,-0.1 1,-0.3 209,-0.0 -0.547 125.5 -12.9 -81.0 -28.7 23.0 77.1 26.1 42 36 A G T 3 S+ 0 0 21 -2,-0.4 -30,-2.3 -3,-0.1 -1,-0.3 0.232 113.8 87.9-115.7 9.2 24.0 78.2 29.6 43 37 A K E < S-G 40 0B 70 -3,-0.7 -3,-2.3 -32,-0.2 -29,-0.2 -0.953 77.9-128.7-108.3 119.5 26.1 81.2 28.7 44 38 A P E -G 39 0B 38 0, 0.0 -29,-2.7 0, 0.0 2,-0.9 -0.362 27.0-112.8 -57.4 141.1 24.2 84.5 28.4 45 39 A V E +a 15 0A 12 -7,-2.3 19,-0.2 -31,-0.2 -29,-0.2 -0.726 43.3 170.6 -79.5 109.2 25.0 86.2 25.1 46 40 A E E + 0 0 108 -31,-2.7 19,-2.5 -2,-0.9 2,-0.3 0.670 61.2 15.4 -91.9 -24.1 26.8 89.4 26.3 47 41 A K E -ac 16 65A 56 -32,-1.2 -30,-2.5 17,-0.2 2,-0.4 -0.985 55.4-156.7-153.7 140.7 28.0 90.6 22.9 48 42 A F E -ac 17 66A 0 17,-2.3 19,-2.6 -2,-0.3 2,-0.6 -0.990 2.5-165.0-112.8 131.4 27.5 90.2 19.2 49 43 A T E -ac 18 67A 1 -32,-2.3 -30,-2.9 -2,-0.4 2,-0.5 -0.983 18.0-170.9-102.9 120.9 30.1 91.1 16.6 50 44 A L E +ac 19 68A 2 17,-2.7 19,-2.5 -2,-0.6 2,-0.4 -0.952 8.5 172.8-120.6 114.9 28.2 91.1 13.3 51 45 A I E +ac 20 69A 8 -32,-2.6 -30,-2.9 -2,-0.5 -29,-1.9 -0.959 9.2 143.3-124.9 136.9 30.1 91.4 10.1 52 46 A D E - c 0 70A 22 17,-1.2 19,-2.0 -2,-0.4 -2,-0.0 -0.963 58.5-109.1-157.9 162.7 29.0 91.2 6.4 53 47 A V S S+ 0 0 104 -2,-0.3 2,-0.5 17,-0.2 19,-0.1 0.853 114.6 55.2 -65.2 -31.5 29.9 92.9 3.1 54 48 A F S S- 0 0 153 17,-0.1 -31,-0.2 15,-0.1 17,-0.1 -0.886 113.6 -93.2 -97.2 131.3 26.6 94.6 3.5 55 49 A Q - 0 0 90 -2,-0.5 2,-0.2 15,-0.1 15,-0.1 -0.141 40.5-139.1 -43.4 110.9 26.0 96.5 6.8 56 50 A P - 0 0 6 0, 0.0 2,-0.4 0, 0.0 -33,-0.1 -0.495 15.3-123.2 -71.4 146.3 24.3 94.2 9.3 57 51 A E - 0 0 173 -2,-0.2 12,-0.1 -35,-0.1 3,-0.1 -0.719 26.4-108.5 -84.7 137.2 21.5 95.7 11.5 58 52 A A - 0 0 64 -2,-0.4 2,-0.1 10,-0.1 -1,-0.1 -0.449 47.6-104.2 -57.9 131.5 21.8 95.6 15.3 59 53 A P > - 0 0 22 0, 0.0 3,-0.9 0, 0.0 2,-0.1 -0.376 33.2-115.0 -66.5 139.8 19.2 93.0 16.5 60 54 A A T 3 S+ 0 0 96 1,-0.2 3,-0.1 -3,-0.1 -25,-0.0 -0.451 95.9 22.3 -71.3 145.7 16.0 94.4 18.0 61 55 A G T 3 S+ 0 0 78 1,-0.2 2,-0.5 -2,-0.1 -1,-0.2 0.624 89.4 126.6 72.4 15.5 15.4 93.6 21.7 62 56 A F < - 0 0 39 -3,-0.9 -1,-0.2 1,-0.1 -27,-0.0 -0.929 34.0-179.1-107.8 132.0 19.1 92.9 22.5 63 57 A S + 0 0 129 -2,-0.5 -1,-0.1 -3,-0.1 3,-0.1 0.472 52.2 89.4-109.5 -6.3 20.5 94.9 25.4 64 58 A G S S- 0 0 30 1,-0.2 -17,-0.2 -19,-0.2 -18,-0.1 0.006 90.7 -56.0 -80.5-172.6 24.2 93.6 25.3 65 59 A A E -c 47 0A 53 -19,-2.5 -17,-2.3 2,-0.0 2,-0.4 -0.410 53.0-167.0 -68.6 140.6 27.3 94.9 23.5 66 60 A V E +c 48 0A 62 -19,-0.2 2,-0.4 -2,-0.1 -17,-0.2 -0.997 19.5 178.0-134.7 128.8 27.0 95.2 19.7 67 61 A D E +c 49 0A 54 -19,-2.6 -17,-2.7 -2,-0.4 2,-0.5 -0.860 19.8 169.4-126.7 91.8 29.8 95.7 17.1 68 62 A A E +c 50 0A 29 -2,-0.4 2,-0.3 -19,-0.2 -17,-0.2 -0.935 10.5 149.1-111.5 119.7 28.0 95.6 13.7 69 63 A R E -c 51 0A 31 -19,-2.5 -17,-1.2 -2,-0.5 2,-0.5 -0.990 48.5-109.5-150.8 156.4 29.9 96.7 10.7 70 64 A A E +c 52 0A 54 -2,-0.3 2,-0.3 -19,-0.2 -17,-0.2 -0.779 55.5 142.7 -87.0 122.6 30.4 96.2 7.0 71 65 A A - 0 0 16 -19,-2.0 2,-0.6 -2,-0.5 -17,-0.1 -0.983 47.2-129.0-160.1 154.8 33.7 94.4 6.3 72 66 A D > - 0 0 40 -2,-0.3 3,-2.1 1,-0.1 6,-0.2 -0.950 13.4-149.0-111.7 114.9 35.2 91.8 4.0 73 67 A L T 3 S+ 0 0 18 -2,-0.6 6,-0.5 1,-0.3 -1,-0.1 0.739 98.1 58.2 -51.9 -26.4 37.0 89.0 5.8 74 68 A S T 3 S+ 0 0 10 4,-0.1 -1,-0.3 2,-0.1 3,-0.1 0.646 85.4 101.3 -81.8 -13.6 39.5 88.7 2.8 75 69 A A S X S- 0 0 33 -3,-2.1 3,-2.0 1,-0.1 4,-0.5 -0.415 91.4 -76.8 -76.4 149.4 40.6 92.3 3.1 76 70 A P T 3 S- 0 0 130 0, 0.0 -1,-0.1 0, 0.0 -4,-0.1 -0.107 111.3 -2.9 -48.8 126.2 43.9 93.2 4.8 77 71 A G T 3> S+ 0 0 33 -3,-0.1 4,-2.2 1,-0.1 5,-0.1 0.278 97.6 111.1 80.6 -10.5 43.8 93.0 8.6 78 72 A E H <> S+ 0 0 47 -3,-2.0 4,-2.3 -6,-0.2 5,-0.2 0.902 77.3 48.9 -67.5 -42.4 40.1 92.2 8.9 79 73 A A H > S+ 0 0 1 -4,-0.5 4,-2.4 -6,-0.5 -1,-0.2 0.928 113.6 48.1 -60.4 -44.6 40.6 88.6 10.2 80 74 A E H > S+ 0 0 103 1,-0.2 4,-2.3 2,-0.2 -2,-0.2 0.887 108.5 54.7 -63.6 -39.4 43.1 89.8 12.7 81 75 A K H X S+ 0 0 109 -4,-2.2 4,-0.7 2,-0.2 -1,-0.2 0.902 110.4 45.6 -62.4 -43.4 40.7 92.6 13.8 82 76 A L H >< S+ 0 0 1 -4,-2.3 3,-1.2 1,-0.2 4,-0.2 0.955 113.2 49.2 -62.3 -49.8 38.0 90.1 14.5 83 77 A V H >< S+ 0 0 2 -4,-2.4 3,-1.6 1,-0.3 -2,-0.2 0.812 101.6 63.2 -62.9 -32.3 40.3 87.7 16.3 84 78 A E H 3< S+ 0 0 125 -4,-2.3 -1,-0.3 1,-0.3 -2,-0.2 0.800 97.2 58.6 -62.1 -24.6 41.7 90.6 18.5 85 79 A A T << S- 0 0 35 -3,-1.2 -1,-0.3 -4,-0.7 -2,-0.2 0.510 102.5-142.5 -82.7 -6.0 38.1 90.9 19.9 86 80 A R < - 0 0 54 -3,-1.6 -70,-0.2 -4,-0.2 -3,-0.1 0.838 18.2-163.2 51.4 50.0 38.4 87.2 21.0 87 81 A P - 0 0 0 0, 0.0 -70,-0.2 0, 0.0 -1,-0.1 -0.396 16.1-142.2 -61.4 142.5 34.8 86.0 20.3 88 82 A D S S+ 0 0 66 -72,-2.1 47,-2.5 1,-0.2 2,-0.4 0.799 88.1 27.2 -73.7 -35.5 34.0 82.7 22.1 89 83 A V E -bd 17 135A 5 -73,-1.5 -71,-3.2 45,-0.2 2,-0.5 -1.000 69.6-164.1-131.6 131.7 32.0 81.4 19.2 90 84 A I E -bd 18 136A 0 45,-3.0 47,-3.0 -2,-0.4 2,-0.8 -0.975 3.2-163.5-119.6 115.9 32.5 82.3 15.6 91 85 A F E -bd 19 137A 0 -73,-3.1 -71,-3.0 -2,-0.5 2,-1.0 -0.886 8.7-162.1 -94.0 108.6 29.8 81.4 13.0 92 86 A H E +bd 20 138A 2 45,-2.5 47,-2.1 -2,-0.8 -71,-0.1 -0.797 32.8 144.3 -96.5 97.4 31.4 81.7 9.6 93 87 A L + 0 0 24 -73,-2.6 -72,-0.2 -2,-1.0 -1,-0.2 0.473 30.6 114.6-108.6 -9.0 28.5 82.0 7.2 94 88 A A + 0 0 26 -74,-0.4 2,-0.3 -3,-0.2 -73,-0.1 -0.376 28.7 134.7 -81.9 144.8 29.9 84.3 4.6 95 89 A A - 0 0 34 -2,-0.1 2,-0.5 -74,-0.0 13,-0.1 -0.908 53.9-110.1-171.1 150.9 30.6 83.4 0.9 96 90 A I - 0 0 18 -2,-0.3 5,-0.1 12,-0.2 16,-0.0 -0.833 54.6-102.8 -88.8 137.6 30.0 84.7 -2.5 97 91 A V >> - 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