==== 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 06-NOV-08 3F6J . 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 . 167 3 1 1 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 7579.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 109 65.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 10 6.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 68 40.7 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 . 12 7.2 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 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 0 0 PARALLEL BRIDGES PER LADDER . 0 3 1 2 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 79 0, 0.0 42,-2.0 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0 164.8 50.8 44.7 21.7 2 2 A V E +A 42 0A 20 40,-0.2 2,-0.3 149,-0.1 40,-0.2 -0.986 360.0 173.3-139.5 143.3 47.6 42.5 21.6 3 3 A S E -A 41 0A 49 38,-2.2 38,-2.6 -2,-0.3 2,-0.6 -0.986 33.3-114.4-141.4 157.7 44.9 41.9 24.2 4 4 A F E +A 40 0A 49 -2,-0.3 36,-0.2 36,-0.2 35,-0.1 -0.808 39.1 158.8 -94.2 122.1 41.6 40.1 24.2 5 5 A I + 0 0 85 34,-2.5 35,-0.2 -2,-0.6 -1,-0.1 0.442 48.6 78.8-119.7 -4.4 38.6 42.4 24.8 6 6 A G S S- 0 0 22 33,-1.8 2,-0.4 1,-0.1 33,-0.1 0.145 84.6 -80.9 -89.1-157.7 35.7 40.5 23.3 7 7 A S - 0 0 57 1,-0.1 152,-0.1 152,-0.1 -1,-0.1 -0.925 18.7-147.1-113.9 141.1 33.5 37.6 24.6 8 8 A T S S+ 0 0 50 -2,-0.4 151,-3.4 1,-0.1 2,-0.5 0.885 90.4 45.4 -70.3 -41.7 34.5 33.9 24.5 9 9 A E E S+h 159 0B 111 149,-0.2 2,-0.4 151,-0.0 151,-0.2 -0.923 73.8 179.4-111.5 128.3 30.9 32.7 24.0 10 10 A N E -h 160 0B 9 149,-1.2 151,-2.7 -2,-0.5 2,-0.4 -0.987 20.3-138.8-137.9 130.1 28.7 34.5 21.4 11 11 A D E -h 161 0B 78 -2,-0.4 2,-0.6 149,-0.2 151,-0.2 -0.717 13.1-145.6 -92.5 140.0 25.1 34.0 20.2 12 12 A V E -h 162 0B 0 149,-3.0 151,-2.4 -2,-0.4 22,-0.2 -0.896 63.4 -3.7-107.0 117.0 24.2 34.3 16.5 13 13 A G S S- 0 0 11 20,-2.4 19,-0.2 -2,-0.6 2,-0.1 0.096 98.1 -54.8 89.2 159.6 20.8 35.8 15.7 14 14 A P > - 0 0 70 0, 0.0 3,-1.4 0, 0.0 2,-0.2 -0.437 67.1 -97.5 -66.6 140.2 17.9 37.0 18.0 15 15 A S T 3 S- 0 0 76 1,-0.3 150,-0.1 -2,-0.1 -2,-0.1 -0.431 103.4 -1.7 -64.4 132.1 16.7 34.4 20.4 16 16 A L T 3 S+ 0 0 116 148,-1.6 -1,-0.3 1,-0.2 149,-0.2 0.842 91.5 175.2 52.9 41.7 13.6 32.5 19.2 17 17 A G E < -l 165 0C 11 -3,-1.4 149,-2.4 147,-1.0 2,-0.4 -0.461 20.7-141.5 -69.9 150.0 13.5 34.6 16.1 18 18 A S E -l 166 0C 79 147,-0.2 2,-0.4 -2,-0.1 149,-0.2 -0.927 16.7-170.7-118.2 138.0 10.9 33.8 13.4 19 19 A Y E -l 167 0C 27 147,-2.3 149,-3.4 -2,-0.4 2,-0.2 -0.988 4.2-163.7-135.0 138.9 11.5 33.9 9.6 20 20 A S E l 168 0C 88 -2,-0.4 7,-0.2 147,-0.2 149,-0.2 -0.718 360.0 360.0-115.1 166.6 9.2 33.6 6.6 21 21 A R 0 0 82 147,-0.6 6,-0.6 -2,-0.2 148,-0.1 0.919 360.0 360.0 -60.6 360.0 9.9 33.0 2.9 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 0 109 0, 0.0 2,-0.5 0, 0.0 101,-0.2 0.000 360.0 360.0 360.0 136.6 17.1 23.4 -1.1 24 30 A F E -B 123 0A 77 99,-1.9 99,-2.7 2,-0.0 2,-0.6 -0.870 360.0-151.4-101.7 125.9 15.2 26.6 -0.3 25 31 A V E -B 122 0A 48 -2,-0.5 2,-0.3 97,-0.2 97,-0.2 -0.849 9.4-135.7-105.5 124.9 17.2 29.5 1.1 26 32 A Y - 0 0 1 95,-2.2 2,-1.6 -2,-0.6 3,-0.2 -0.544 14.3-130.1 -77.2 134.4 15.7 32.0 3.3 27 33 A D + 0 0 89 -6,-0.6 -7,-0.1 -2,-0.3 -1,-0.1 -0.573 50.9 146.6 -85.6 75.2 16.6 35.6 2.7 28 34 A T > - 0 0 10 -2,-1.6 3,-2.2 1,-0.2 4,-0.3 0.542 30.5-167.1 -96.8 -2.5 17.6 36.6 6.2 29 35 A R T 3 - 0 0 110 1,-0.3 -1,-0.2 -3,-0.2 3,-0.2 -0.338 67.5 -27.1 53.8-124.4 20.2 39.1 5.4 30 36 A N T 3 S+ 0 0 77 -2,-0.1 3,-0.3 1,-0.1 -1,-0.3 0.278 111.0 103.0-105.8 9.2 22.3 39.9 8.5 31 37 A K S < S+ 0 0 77 -3,-2.2 2,-1.4 1,-0.3 -2,-0.1 0.866 79.2 51.6 -61.3 -40.9 19.5 39.2 10.9 32 38 A I S S+ 0 0 1 87,-0.4 87,-2.2 -4,-0.3 2,-0.3 -0.614 99.4 109.3 -97.1 73.9 20.9 35.8 11.9 33 39 A G E - C 0 118A 12 -2,-1.4 -20,-2.4 -3,-0.3 2,-0.3 -0.843 57.3-147.1-137.8 167.9 24.3 37.3 12.7 34 40 A Y E + C 0 117A 45 83,-2.5 83,-2.6 -2,-0.3 2,-0.4 -0.959 23.7 175.6-135.7 135.0 26.9 38.2 15.3 35 41 A Q E + C 0 116A 93 -2,-0.3 2,-0.3 81,-0.2 81,-0.2 -0.999 9.2 168.5-140.5 135.6 29.2 41.3 14.7 36 42 A N E - C 0 115A 38 79,-2.3 79,-2.5 -2,-0.4 3,-0.3 -0.905 17.2-167.3-148.5 115.2 31.8 42.9 17.0 37 43 A A E S+ 0 0 43 -2,-0.3 2,-0.4 77,-0.3 3,-0.2 0.674 85.8 52.7 -69.1 -19.3 34.2 45.6 15.8 38 44 A N E + 0 0 80 1,-0.1 76,-0.2 74,-0.1 -1,-0.2 -0.634 57.7 125.9-129.1 72.3 36.3 45.2 19.0 39 45 A V E S+ 0 0 3 74,-1.9 -34,-2.5 -2,-0.4 -33,-1.8 0.846 80.4 23.4 -99.1 -41.4 37.3 41.7 19.8 40 46 A W E S-AC 4 113A 1 73,-2.2 73,-2.8 -36,-0.2 2,-0.5 -0.976 72.0-139.7-121.5 140.8 41.1 42.2 20.1 41 47 A H E -AC 3 112A 71 -38,-2.6 -38,-2.2 -2,-0.4 2,-0.3 -0.856 29.6-175.9 -93.7 132.1 42.9 45.4 20.9 42 48 A I E +AC 2 111A 0 69,-2.4 69,-2.8 -2,-0.5 2,-0.3 -0.959 7.3 167.0-134.0 151.8 46.1 45.8 18.9 43 49 A S E > + C 0 110A 15 -42,-2.0 3,-0.9 -2,-0.3 67,-0.2 -0.987 44.0 29.5-156.8 160.6 48.9 48.3 18.7 44 50 A K T 3 S- 0 0 127 65,-2.5 63,-0.3 62,-0.4 -1,-0.1 0.896 125.0 -36.3 54.5 57.0 52.4 49.2 17.4 45 51 A G T 3 S+ 0 0 27 61,-1.8 -1,-0.3 60,-0.4 62,-0.2 0.475 85.5 160.4 84.2 4.8 52.7 47.3 14.2 46 52 A F < - 0 0 13 -3,-0.9 59,-2.2 60,-0.3 2,-0.4 -0.384 25.8-153.6 -60.6 132.0 50.8 44.2 15.2 47 53 A a E +IJ 104 146B 1 99,-0.5 99,-2.1 57,-0.2 2,-0.3 -0.948 22.4 165.1-114.2 131.3 49.7 42.3 12.1 48 54 A V E +IJ 103 145B 1 55,-2.9 55,-2.0 -2,-0.4 2,-0.2 -0.995 16.3 171.1-152.9 138.3 46.6 40.0 12.3 49 55 A G E - J 0 144B 0 95,-2.6 95,-2.5 -2,-0.3 2,-0.4 -0.507 31.3-105.6-122.5-162.6 44.0 38.2 10.2 50 56 A L E -IJ 100 143B 0 50,-2.1 49,-2.4 93,-0.2 50,-1.4 -0.998 15.2-162.6-136.2 137.1 41.3 35.6 11.0 51 57 A D E -IJ 98 142B 19 91,-2.6 91,-2.7 -2,-0.4 2,-0.3 -0.904 15.2-161.1-104.9 144.2 40.7 31.9 10.6 52 58 A G E -IJ 97 141B 0 45,-2.6 45,-2.4 -2,-0.4 2,-0.3 -0.904 6.2-170.6-120.4 155.6 37.2 30.4 10.9 53 59 A K E - J 0 140B 47 87,-2.2 87,-2.1 -2,-0.3 2,-0.5 -0.976 9.8-155.7-147.5 127.2 36.0 26.8 11.5 54 60 A V E - J 0 139B 0 39,-0.4 85,-0.3 41,-0.4 84,-0.1 -0.919 4.4-171.6-105.8 130.7 32.5 25.3 11.3 55 61 A D + 0 0 77 83,-2.6 84,-0.2 -2,-0.5 -1,-0.1 0.553 52.3 105.7 -98.3 -10.9 31.9 22.2 13.4 56 62 A L S S- 0 0 14 82,-0.8 14,-0.1 1,-0.1 -2,-0.1 -0.334 82.9 -93.7 -70.4 150.2 28.5 21.2 12.1 57 63 A P - 0 0 81 0, 0.0 12,-2.7 0, 0.0 2,-0.6 -0.382 34.5-121.4 -65.9 141.8 28.2 18.3 9.7 58 64 A V E +D 68 0A 65 10,-0.2 10,-0.2 1,-0.1 3,-0.1 -0.765 37.9 167.8 -84.2 123.7 28.4 19.1 5.9 59 65 A V E - 0 0 85 8,-2.9 2,-0.3 -2,-0.6 9,-0.2 0.341 60.3 -20.9-118.7 -0.2 25.1 17.8 4.3 60 66 A G E -D 67 0A 26 7,-1.1 7,-2.5 2,-0.0 2,-0.3 -0.974 59.0-115.9 178.7-172.6 25.3 19.4 0.9 61 67 A S E -D 66 0A 92 -2,-0.3 2,-0.4 5,-0.3 5,-0.2 -0.988 13.9-169.8-150.4 144.6 26.8 22.2 -1.2 62 68 A L E > S-D 65 0A 52 3,-2.7 3,-2.1 -2,-0.3 -2,-0.0 -0.981 75.4 -20.1-140.0 123.3 25.5 25.2 -3.0 63 69 A D T 3 S- 0 0 156 -2,-0.4 3,-0.1 1,-0.3 -1,-0.0 0.781 129.2 -46.9 47.9 36.6 27.5 27.4 -5.4 64 70 A G T 3 S+ 0 0 69 1,-0.3 2,-0.3 0, 0.0 -1,-0.3 0.481 117.9 100.3 91.8 2.2 30.8 26.1 -4.0 65 71 A Q E < S-D 62 0A 26 -3,-2.1 -3,-2.7 27,-0.1 -1,-0.3 -0.909 74.7 -99.7-118.6 155.6 30.0 26.5 -0.3 66 72 A S E -D 61 0A 9 25,-1.3 2,-0.6 -2,-0.3 12,-0.5 -0.339 17.3-144.6 -70.1 141.6 28.9 24.0 2.3 67 73 A I E -D 60 0A 7 -7,-2.5 -8,-2.9 10,-0.1 -7,-1.1 -0.960 24.8-152.7 -95.7 123.2 25.3 23.4 3.5 68 74 A Y E -DE 58 76A 0 8,-2.8 8,-2.2 -2,-0.6 2,-0.3 -0.828 10.2-126.4-102.8 137.2 25.7 22.6 7.1 69 75 A G E + E 0 75A 8 -12,-2.7 6,-0.2 -2,-0.4 3,-0.1 -0.647 35.3 162.7 -95.2 138.3 23.1 20.5 8.8 70 76 A L S S- 0 0 34 4,-2.7 2,-0.3 1,-0.5 5,-0.2 0.727 75.5 -12.9-107.9 -46.2 21.1 21.3 11.9 71 77 A T S S- 0 0 55 3,-2.0 -1,-0.5 62,-0.0 62,-0.0 -0.815 83.9 -83.8-144.9 179.1 18.2 18.9 11.7 72 78 A E S S+ 0 0 164 -2,-0.3 3,-0.1 1,-0.2 -3,-0.0 0.848 129.3 32.8 -62.0 -32.8 16.8 16.6 9.0 73 79 A E S S+ 0 0 57 51,-0.1 51,-3.6 1,-0.1 52,-1.1 0.736 114.6 59.2 -94.7 -27.8 14.8 19.5 7.6 74 80 A V E + F 0 123A 0 49,-0.2 -4,-2.7 50,-0.2 -3,-2.0 -0.919 50.9 161.4-122.0 129.8 17.0 22.6 8.2 75 81 A G E -EF 69 122A 0 47,-3.1 47,-2.4 -2,-0.4 2,-0.4 -0.662 24.0-127.5-123.6-172.7 20.6 23.5 7.3 76 82 A L E -EF 68 121A 0 -8,-2.2 -8,-2.8 45,-0.2 2,-0.4 -0.996 6.7-147.5-140.2 141.4 22.7 26.7 7.1 77 83 A L E - F 0 120A 9 43,-2.3 43,-2.3 -2,-0.4 2,-0.4 -0.915 35.7-159.7 -96.2 139.2 24.9 28.6 4.7 78 84 A I E - F 0 119A 0 -12,-0.5 13,-3.0 -2,-0.4 2,-0.4 -0.969 19.1-173.1-131.3 137.7 27.6 30.2 6.8 79 85 A W E -GF 90 118A 42 39,-3.0 39,-2.6 -2,-0.4 2,-0.3 -0.988 4.9-178.4-124.8 139.4 30.0 33.2 6.4 80 86 A M E +GF 89 117A 0 9,-2.1 9,-2.5 -2,-0.4 2,-0.3 -0.976 27.0 103.8-131.1 147.4 32.8 34.2 8.7 81 87 A G E - F 0 116A 0 35,-2.0 35,-2.3 -2,-0.3 19,-0.2 -0.971 60.5 -21.2 177.1-166.5 35.1 37.2 8.4 82 88 A D S S- 0 0 34 17,-0.5 33,-0.2 5,-0.4 5,-0.2 -0.027 80.1 -78.3 -56.2 170.5 36.2 40.7 9.4 83 89 A T S S+ 0 0 24 31,-0.2 2,-0.2 32,-0.1 32,-0.1 0.847 108.2 74.9 -44.1 -59.1 33.8 43.1 11.1 84 90 A K S > S- 0 0 137 1,-0.1 3,-2.1 32,-0.1 4,-0.2 -0.413 79.7-133.9 -66.6 134.5 31.7 44.3 8.1 85 91 A Y G > S+ 0 0 39 1,-0.3 3,-2.1 2,-0.2 -1,-0.1 0.844 103.3 62.9 -58.2 -34.1 29.2 41.8 6.9 86 92 A S G 3 S+ 0 0 115 1,-0.3 -1,-0.3 -5,-0.0 -3,-0.1 0.686 94.8 63.3 -65.8 -15.2 30.1 42.3 3.3 87 93 A R G < S+ 0 0 77 -3,-2.1 -5,-0.4 -5,-0.2 -1,-0.3 0.438 77.4 131.7 -84.4 -0.5 33.6 41.1 4.1 88 94 A G < - 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