==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=23-AUG-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER SUGAR BINDING PROTEIN 05-NOV-08 3F64 . COMPND 2 MOLECULE: F17A-G; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR L.BUTS,A.DE BOER,J.D.M.OLSSON,W.JONCKHEERE,M.DE KERPEL,E.DE . 168 2 1 1 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 7838.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 107 63.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 9 5.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 67 39.9 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 . 1 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 1.2 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 . 1 0.6 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 . 13 7.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 9 5.4 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+4), 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 . 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 . 0 0 1 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 PARALLEL BRIDGES PER LADDER . 0 3 2 1 1 1 0 3 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 1 0 1 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 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 A 0 0 80 0, 0.0 42,-1.8 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0 162.8 50.4 44.7 21.9 2 2 A V E +A 42 0A 22 40,-0.2 2,-0.3 150,-0.1 40,-0.2 -0.987 360.0 172.3-144.7 141.9 47.2 42.6 21.8 3 3 A S E -A 41 0A 54 38,-1.9 38,-2.5 -2,-0.3 2,-0.6 -0.978 33.8-113.9-143.4 156.4 44.5 41.9 24.4 4 4 A F E +A 40 0A 48 -2,-0.3 36,-0.3 36,-0.2 152,-0.1 -0.822 38.5 160.2 -94.5 122.2 41.1 40.1 24.3 5 5 A I + 0 0 83 34,-2.6 35,-0.2 -2,-0.6 -1,-0.1 0.518 48.2 76.0-119.1 -11.6 38.1 42.4 24.9 6 6 A G S S- 0 0 17 33,-1.9 2,-0.3 1,-0.1 33,-0.1 0.103 86.1 -78.1 -86.0-157.2 35.1 40.6 23.5 7 7 A S - 0 0 66 1,-0.1 -1,-0.1 153,-0.1 153,-0.1 -0.841 20.0-144.1-111.7 146.1 33.0 37.7 24.8 8 8 A T S S+ 0 0 56 -2,-0.3 152,-3.4 151,-0.1 2,-0.4 0.898 90.7 42.6 -72.6 -43.2 33.9 34.0 24.7 9 9 A E E S-h 160 0B 119 150,-0.2 2,-0.4 152,-0.0 152,-0.2 -0.908 73.5-178.6-113.0 132.3 30.4 32.7 24.0 10 10 A N E -h 161 0B 10 150,-1.1 152,-2.5 -2,-0.4 2,-0.3 -0.997 19.3-138.5-141.0 131.1 28.2 34.5 21.6 11 11 A D E -h 162 0B 83 -2,-0.4 2,-0.6 150,-0.2 152,-0.2 -0.698 13.6-144.9 -92.8 141.0 24.6 34.0 20.4 12 12 A V E -h 163 0B 0 150,-2.8 152,-2.1 -2,-0.3 22,-0.2 -0.909 63.4 -5.7-109.4 116.5 23.6 34.4 16.7 13 13 A G S S- 0 0 12 20,-1.9 19,-0.2 -2,-0.6 2,-0.1 0.083 97.3 -55.6 87.5 157.8 20.2 35.8 15.9 14 14 A P > - 0 0 68 0, 0.0 3,-1.8 0, 0.0 2,-0.2 -0.448 64.7 -96.2 -70.0 142.8 17.3 36.8 18.3 15 15 A S T 3 S- 0 0 81 1,-0.3 151,-0.1 -2,-0.1 -2,-0.1 -0.409 104.7 -4.3 -62.1 127.1 16.0 34.1 20.6 16 16 A L T 3 S+ 0 0 114 149,-1.8 -1,-0.3 -2,-0.2 150,-0.2 0.786 90.3 172.0 55.0 32.0 12.9 32.4 19.2 17 17 A G E < -l 166 0C 13 -3,-1.8 150,-2.5 148,-0.8 2,-0.4 -0.325 22.0-141.9 -59.7 152.0 12.9 34.8 16.2 18 18 A S E -l 167 0C 78 148,-0.2 2,-0.4 150,-0.0 150,-0.2 -0.972 15.6-167.7-123.8 141.9 10.4 33.8 13.5 19 19 A Y E -l 168 0C 25 148,-2.6 150,-2.9 -2,-0.4 2,-0.2 -0.978 2.5-170.7-133.9 140.1 11.0 34.1 9.7 20 20 A S 0 0 89 -2,-0.4 7,-0.2 148,-0.2 -2,-0.0 -0.674 360.0 360.0-119.8 172.9 8.7 33.8 6.6 21 21 A R 0 0 89 148,-0.4 -2,-0.0 -2,-0.2 5,-0.0 -0.297 360.0 360.0 164.2 360.0 9.0 33.6 2.8 22 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 23 29 A P 0 0 111 0, 0.0 2,-0.6 0, 0.0 101,-0.2 0.000 360.0 360.0 360.0 138.9 16.5 23.7 -1.6 24 30 A F E -B 123 0A 95 99,-1.8 99,-2.6 2,-0.0 2,-0.5 -0.866 360.0-156.1-102.8 123.6 14.7 26.8 -0.5 25 31 A V E -B 122 0A 55 -2,-0.6 2,-0.3 97,-0.2 97,-0.2 -0.834 10.2-138.1-102.7 122.3 16.8 29.7 0.8 26 32 A Y - 0 0 7 95,-2.5 2,-1.6 -2,-0.5 3,-0.2 -0.630 11.5-132.1 -78.7 133.5 15.2 32.3 3.2 27 33 A D + 0 0 149 -2,-0.3 -7,-0.1 -7,-0.2 -1,-0.1 -0.634 52.0 143.5 -79.4 79.1 16.0 36.0 2.7 28 34 A T > - 0 0 7 -2,-1.6 3,-2.2 1,-0.2 4,-0.3 0.455 33.7-168.3-100.5 -2.2 16.9 36.8 6.3 29 35 A R T 3 - 0 0 51 1,-0.3 -1,-0.2 -3,-0.2 3,-0.2 -0.298 66.0 -23.4 57.7-120.5 19.7 39.2 5.5 30 36 A N T 3 S+ 0 0 79 1,-0.1 -1,-0.3 -2,-0.1 3,-0.2 0.325 109.9 102.7-107.3 6.6 21.7 40.0 8.7 31 37 A K S < S+ 0 0 149 -3,-2.2 2,-1.3 1,-0.3 -1,-0.1 0.850 79.3 51.8 -56.8 -44.7 18.9 39.1 11.1 32 38 A I S S+ 0 0 1 87,-0.4 87,-2.2 -4,-0.3 2,-0.3 -0.660 99.4 103.4 -94.9 75.6 20.4 35.8 12.0 33 39 A G E - C 0 118A 12 -2,-1.3 -20,-1.9 -3,-0.2 2,-0.3 -0.911 58.2-144.6-145.6 169.9 23.9 37.2 12.8 34 40 A Y E + C 0 117A 41 83,-2.4 83,-2.4 -2,-0.3 2,-0.4 -0.974 23.4 175.8-137.2 132.0 26.4 38.3 15.4 35 41 A Q E + C 0 116A 93 -2,-0.3 2,-0.3 81,-0.2 81,-0.2 -0.998 8.0 168.0-136.7 139.8 28.7 41.3 14.8 36 42 A N E - C 0 115A 38 79,-2.2 79,-2.3 -2,-0.4 3,-0.2 -0.865 18.5-166.1-151.2 115.7 31.2 43.0 17.1 37 43 A A E S+ 0 0 44 -2,-0.3 2,-0.4 77,-0.3 3,-0.2 0.632 84.0 55.9 -72.3 -12.8 33.8 45.6 16.0 38 44 A N E + 0 0 80 1,-0.1 76,-0.2 74,-0.1 -1,-0.2 -0.690 55.7 124.7-129.6 78.7 35.8 45.2 19.2 39 45 A V E S+ 0 0 4 74,-2.4 -34,-2.6 -2,-0.4 -33,-1.9 0.776 79.7 23.5-106.3 -37.2 37.0 41.7 20.0 40 46 A W E S-AC 4 113A 2 73,-1.9 73,-2.5 -36,-0.3 2,-0.5 -0.992 70.9-138.7-125.6 140.6 40.8 42.3 20.4 41 47 A H E -AC 3 112A 73 -38,-2.5 -38,-1.9 -2,-0.4 2,-0.3 -0.845 29.8-175.6 -90.7 129.9 42.5 45.5 21.2 42 48 A I E +AC 2 111A 0 69,-2.2 69,-2.8 -2,-0.5 2,-0.3 -0.940 6.8 167.2-130.9 153.3 45.7 45.9 19.0 43 49 A S E > + C 0 110A 18 -42,-1.8 3,-1.1 -2,-0.3 67,-0.2 -0.983 44.0 25.0-158.9 159.7 48.5 48.4 18.9 44 50 A K T 3 S- 0 0 130 65,-2.1 63,-0.3 -2,-0.3 -1,-0.1 0.865 125.3 -32.4 47.8 62.7 51.9 49.4 17.7 45 51 A G T 3 S+ 0 0 28 61,-1.8 -1,-0.3 1,-0.2 62,-0.2 0.369 85.5 158.3 88.8 -5.0 52.4 47.4 14.5 46 52 A F < - 0 0 12 -3,-1.1 59,-2.0 60,-0.3 2,-0.5 -0.299 26.5-154.6 -58.9 132.0 50.4 44.3 15.4 47 53 A a E +IJ 104 147B 1 100,-0.5 100,-2.2 57,-0.2 2,-0.3 -0.952 21.7 166.7-112.0 130.2 49.3 42.4 12.2 48 54 A V E +IJ 103 146B 1 55,-2.7 55,-2.0 -2,-0.5 2,-0.2 -0.996 17.7 169.3-151.6 139.1 46.2 40.2 12.4 49 55 A G E - J 0 145B 0 96,-2.4 96,-2.8 -2,-0.3 2,-0.3 -0.564 31.1-110.0-122.1-165.4 43.6 38.2 10.4 50 56 A L E -IJ 100 144B 0 50,-1.7 49,-2.3 94,-0.3 50,-1.3 -0.993 13.5-160.4-135.5 142.1 40.9 35.7 11.2 51 57 A D E -IJ 98 143B 13 92,-2.7 92,-2.1 -2,-0.3 2,-0.3 -0.907 15.7-158.9-110.3 147.4 40.3 31.9 10.7 52 58 A G E -IJ 97 142B 0 45,-2.8 45,-2.6 -2,-0.3 2,-0.3 -0.927 6.3-168.3-122.8 152.6 36.8 30.5 11.0 53 59 A K E - J 0 141B 47 88,-2.8 88,-2.2 -2,-0.3 2,-0.5 -0.974 9.0-154.3-142.2 130.7 35.6 26.9 11.6 54 60 A V E - J 0 140B 0 41,-0.4 86,-0.3 -2,-0.3 85,-0.1 -0.890 5.8-173.0-105.0 127.8 32.1 25.3 11.3 55 61 A D + 0 0 77 84,-3.0 85,-0.2 -2,-0.5 -1,-0.1 0.561 52.2 104.9 -96.5 -11.9 31.4 22.3 13.5 56 62 A L S S- 0 0 10 83,-0.9 14,-0.1 1,-0.1 2,-0.1 -0.321 82.3 -94.7 -65.5 151.6 28.0 21.4 12.0 57 63 A P - 0 0 79 0, 0.0 12,-2.6 0, 0.0 2,-0.6 -0.406 34.1-123.4 -66.3 141.6 27.7 18.4 9.6 58 64 A V E +D 68 0A 65 10,-0.2 10,-0.2 1,-0.1 3,-0.1 -0.799 37.3 167.0 -87.8 124.6 27.9 19.2 5.9 59 65 A V E - 0 0 78 8,-2.9 2,-0.3 -2,-0.6 9,-0.2 0.362 59.8 -22.6-120.3 1.6 24.7 17.9 4.3 60 66 A G E -D 67 0A 29 7,-1.0 7,-2.3 2,-0.0 2,-0.3 -0.981 59.1-117.3 175.8-174.9 24.8 19.5 0.8 61 67 A S E -D 66 0A 90 5,-0.3 2,-0.4 -2,-0.3 5,-0.2 -0.995 11.3-165.6-153.3 154.6 26.2 22.4 -1.2 62 68 A L E > S-D 65 0A 48 3,-2.6 3,-1.8 -2,-0.3 -2,-0.0 -0.964 74.0 -22.4-144.4 120.3 25.0 25.4 -3.1 63 69 A D T 3 S- 0 0 161 -2,-0.4 3,-0.1 1,-0.3 -1,-0.0 0.819 129.1 -44.4 48.9 35.8 26.9 27.5 -5.6 64 70 A G T 3 S+ 0 0 70 1,-0.3 2,-0.3 0, 0.0 -1,-0.3 0.426 119.2 91.4 95.9 -1.5 30.3 26.4 -4.0 65 71 A Q E < S-D 62 0A 26 -3,-1.8 -3,-2.6 27,-0.1 -1,-0.3 -0.878 76.9 -96.0-123.1 161.2 29.6 26.7 -0.3 66 72 A S E -D 61 0A 9 25,-1.6 2,-0.6 -2,-0.3 12,-0.5 -0.380 16.4-142.3 -76.3 145.5 28.3 24.1 2.2 67 73 A I E -D 60 0A 7 -7,-2.3 -8,-2.9 10,-0.1 -7,-1.0 -0.959 26.5-151.3 -93.7 123.1 24.8 23.6 3.4 68 74 A Y E -DE 58 76A 0 8,-2.6 8,-2.3 -2,-0.6 2,-0.2 -0.831 12.1-122.6-102.6 139.8 25.2 22.7 7.0 69 75 A G E + E 0 75A 7 -12,-2.6 6,-0.2 -2,-0.4 3,-0.1 -0.547 38.6 158.1 -92.0 142.0 22.6 20.4 8.6 70 76 A L S S- 0 0 37 4,-2.1 2,-0.2 1,-0.7 5,-0.2 0.651 76.4 -15.6-117.2 -52.2 20.4 21.2 11.7 71 77 A T S S- 0 0 56 3,-2.0 -1,-0.7 63,-0.0 53,-0.1 -0.675 80.8 -89.2-137.3-172.3 17.4 18.8 11.3 72 78 A E S S+ 0 0 101 -2,-0.2 3,-0.1 1,-0.2 -3,-0.0 0.782 127.4 40.6 -79.3 -26.2 16.2 16.8 8.4 73 79 A E S S+ 0 0 58 51,-0.2 51,-3.6 1,-0.1 52,-1.1 0.815 116.1 50.9 -81.0 -35.1 14.0 19.7 7.2 74 80 A V E + F 0 123A 0 49,-0.3 -4,-2.1 50,-0.2 -3,-2.0 -0.902 51.6 157.9-126.6 132.5 16.4 22.6 7.9 75 81 A G E -EF 69 122A 0 47,-2.8 47,-2.6 -2,-0.4 2,-0.3 -0.751 25.8-123.2-133.0-174.5 20.0 23.6 7.1 76 82 A L E -EF 68 121A 0 -8,-2.3 -8,-2.6 45,-0.2 2,-0.4 -0.984 6.6-145.3-137.4 144.5 22.1 26.7 6.9 77 83 A L E - F 0 120A 8 43,-2.2 43,-2.3 -2,-0.3 2,-0.4 -0.897 35.8-159.9 -96.4 137.1 24.4 28.7 4.6 78 84 A I E - F 0 119A 0 -12,-0.5 13,-2.9 -2,-0.4 2,-0.4 -0.972 18.0-173.2-129.6 137.1 27.1 30.3 6.8 79 85 A W E -GF 90 118A 44 39,-3.0 39,-2.3 -2,-0.4 2,-0.3 -0.978 5.3-178.8-122.2 140.8 29.5 33.3 6.4 80 86 A M E +GF 89 117A 0 9,-2.3 9,-3.1 -2,-0.4 2,-0.3 -0.975 27.1 98.8-131.5 149.9 32.3 34.3 8.8 81 87 A G E - F 0 116A 0 35,-2.2 35,-2.0 -2,-0.3 19,-0.2 -0.971 61.4 -13.4 174.4-158.2 34.7 37.3 8.5 82 88 A D S S- 0 0 23 17,-0.4 33,-0.3 5,-0.4 5,-0.2 -0.125 79.6 -82.9 -64.4 170.3 35.7 40.8 9.5 83 89 A T S S+ 0 0 24 31,-0.2 2,-0.2 32,-0.1 32,-0.1 0.845 107.7 76.4 -47.9 -52.5 33.3 43.1 11.3 84 90 A K S > S- 0 0 119 1,-0.1 3,-1.8 32,-0.1 4,-0.1 -0.458 79.8-135.0 -72.2 132.6 31.3 44.4 8.3 85 91 A Y G > S+ 0 0 40 1,-0.3 3,-1.8 -2,-0.2 -1,-0.1 0.804 100.6 62.9 -60.4 -32.5 28.8 41.9 7.1 86 92 A S G 3 S+ 0 0 112 1,-0.3 -1,-0.3 -5,-0.0 -3,-0.1 0.693 95.5 63.0 -70.4 -15.6 29.5 42.4 3.4 87 93 A R G < S+ 0 0 129 -3,-1.8 -5,-0.4 -5,-0.2 -1,-0.3 0.373 77.4 132.9 -83.9 1.7 33.1 41.2 4.1 88 94 A G < - 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