==== 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 04-DEC-08 3FFO . COMPND 2 MOLECULE: ADHESIN; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR L.BUTS,A.DE BOER,J.D.M.OLSSON,W.JONCKHEERE,M.DE KERPEL,E.DE . 176 1 1 1 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 8078.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 113 64.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 11 6.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 67 38.1 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 1.1 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 . 16 9.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 8 4.5 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 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 PARALLEL BRIDGES PER LADDER . 0 3 1 2 1 1 1 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 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 V 0 0 120 0, 0.0 48,-1.6 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0-147.7 -20.3 41.7 13.7 2 2 A V E -A 48 0A 11 46,-0.2 2,-0.3 154,-0.2 46,-0.2 -0.979 360.0-175.4-145.6 146.6 -19.5 43.7 10.6 3 3 A S E -A 47 0A 46 44,-2.6 44,-3.2 -2,-0.3 2,-0.4 -0.995 28.3-121.6-137.9 146.0 -17.6 43.7 7.2 4 4 A F E +A 46 0A 47 -2,-0.3 42,-0.3 42,-0.3 41,-0.1 -0.708 36.7 159.8 -83.1 133.5 -17.1 46.4 4.5 5 5 A I + 0 0 63 40,-3.0 41,-0.2 -2,-0.4 -1,-0.1 0.233 45.7 77.0-140.9 12.5 -18.4 45.3 1.1 6 6 A G S S- 0 0 20 39,-1.1 2,-0.3 1,-0.1 39,-0.1 -0.278 83.4 -76.3-110.8-160.6 -18.9 48.4 -0.9 7 7 A S - 0 0 64 1,-0.1 158,-0.1 -2,-0.1 -2,-0.1 -0.789 22.0-144.2-107.1 147.6 -16.7 50.9 -2.8 8 8 A T S S+ 0 0 54 -2,-0.3 157,-3.2 1,-0.1 2,-0.5 0.842 89.7 43.9 -79.0 -36.8 -14.5 53.6 -1.3 9 9 A E E S-h 165 0B 117 155,-0.2 2,-0.4 157,-0.0 157,-0.2 -0.946 73.9-175.1-112.7 131.7 -15.0 56.2 -4.0 10 10 A N E -h 166 0B 7 155,-1.4 157,-2.9 -2,-0.5 2,-0.4 -0.983 17.7-139.2-134.4 137.7 -18.5 56.7 -5.3 11 11 A D E -h 167 0B 82 -2,-0.4 2,-0.6 155,-0.2 157,-0.2 -0.799 13.5-146.5 -98.8 134.3 -19.9 58.9 -8.1 12 12 A V E +h 168 0B 1 155,-3.2 157,-1.9 -2,-0.4 28,-0.2 -0.877 64.6 6.1-104.7 122.7 -23.2 60.8 -7.7 13 13 A G S S- 0 0 11 26,-2.1 2,-0.2 -2,-0.6 25,-0.2 0.062 98.2 -61.4 89.3 154.3 -25.4 61.2 -10.7 14 14 A P > - 0 0 69 0, 0.0 3,-1.2 0, 0.0 -2,-0.1 -0.480 63.8 -92.8 -71.7 140.3 -25.0 59.7 -14.3 15 15 A S T 3 S+ 0 0 92 1,-0.3 156,-0.1 -2,-0.2 -2,-0.1 -0.309 110.6 0.4 -51.9 127.4 -21.8 60.7 -16.2 16 16 A Q T 3 S- 0 0 132 154,-0.9 -1,-0.3 1,-0.2 155,-0.2 0.920 90.3-174.4 53.5 50.6 -22.7 63.8 -18.3 17 17 A G E < -l 171 0C 8 -3,-1.2 155,-2.0 153,-0.8 2,-0.6 -0.521 15.8-141.7 -75.2 141.3 -26.3 63.9 -17.0 18 18 A S E -l 172 0C 97 -2,-0.2 2,-0.6 153,-0.2 155,-0.2 -0.931 17.7-174.1-111.0 119.3 -28.6 66.5 -18.7 19 19 A Y E +l 173 0C 23 153,-2.3 155,-2.3 -2,-0.6 2,-0.3 -0.930 6.2 176.1-120.5 110.3 -31.0 68.3 -16.4 20 20 A S E -l 174 0C 74 -2,-0.6 2,-0.3 153,-0.2 155,-0.2 -0.755 9.7-162.9-112.0 157.7 -33.6 70.7 -17.9 21 21 A S E -l 175 0C 16 153,-1.5 155,-1.1 -2,-0.3 4,-0.1 -0.996 17.6-162.8-141.4 141.4 -36.4 72.7 -16.4 22 22 A T + 0 0 127 -2,-0.3 -1,-0.1 154,-0.2 153,-0.0 0.584 65.6 100.4 -98.6 -16.2 -39.5 74.4 -17.8 23 23 A H S S- 0 0 141 1,-0.1 2,-0.5 2,-0.0 -2,-0.1 -0.328 85.6-105.6 -61.4 152.1 -40.2 76.6 -14.7 24 24 A A - 0 0 72 1,-0.1 2,-2.4 152,-0.1 3,-0.4 -0.743 16.4-137.8 -83.3 124.8 -39.0 80.2 -15.0 25 25 A M + 0 0 1 -2,-0.5 -1,-0.1 1,-0.2 5,-0.1 -0.119 53.0 149.8 -70.2 44.2 -35.8 80.7 -13.0 26 26 A D + 0 0 109 -2,-2.4 2,-0.5 1,-0.1 -1,-0.2 0.866 57.4 29.9 -50.4 -55.3 -37.6 84.0 -12.0 27 27 A N S S- 0 0 123 -3,-0.4 -1,-0.1 2,-0.1 0, 0.0 -0.941 92.5-101.6-115.5 131.8 -36.2 84.5 -8.5 28 28 A L S S+ 0 0 60 -2,-0.5 2,-0.2 2,-0.1 101,-0.1 -0.754 97.7 50.0 -99.6 148.2 -32.8 83.4 -7.3 29 29 A P S S- 0 0 71 0, 0.0 2,-0.5 0, 0.0 100,-0.2 0.438 80.8-173.7 -72.9 148.1 -31.7 81.2 -5.7 30 30 A F E -B 128 0A 34 98,-2.0 98,-3.7 -2,-0.2 2,-0.4 -0.961 15.0-139.9-116.9 126.4 -33.6 78.8 -7.9 31 31 A V E -B 127 0A 45 -2,-0.5 2,-0.9 96,-0.2 96,-0.2 -0.704 3.7-145.1 -88.0 129.3 -33.8 75.1 -7.1 32 32 A Y - 0 0 4 94,-3.2 2,-1.9 -2,-0.4 -11,-0.0 -0.818 15.3-148.1 -86.1 104.1 -33.6 72.5 -9.9 33 33 A N + 0 0 119 -2,-0.9 3,-0.1 1,-0.2 92,-0.1 -0.540 34.6 158.7 -78.7 85.8 -35.9 69.8 -8.6 34 34 A T > - 0 0 12 -2,-1.9 3,-2.3 1,-0.3 4,-0.3 0.150 38.3-147.0 -92.5 17.3 -34.1 66.8 -10.2 35 35 A G T 3 - 0 0 18 1,-0.3 -1,-0.3 2,-0.1 3,-0.3 -0.233 61.9 -31.9 55.0-137.5 -35.7 64.5 -7.6 36 36 A Y T 3 S+ 0 0 97 1,-0.2 -1,-0.3 -3,-0.1 3,-0.1 0.129 110.2 108.6 -93.5 18.2 -33.5 61.6 -6.7 37 37 A N S < S+ 0 0 119 -3,-2.3 2,-1.1 1,-0.2 -1,-0.2 0.813 70.8 56.2 -70.0 -32.3 -31.9 61.6 -10.2 38 38 A I S S+ 0 0 1 86,-0.4 86,-2.1 -3,-0.3 2,-0.3 -0.732 94.3 97.3-100.0 83.9 -28.6 63.0 -9.2 39 39 A G E - C 0 123A 13 -2,-1.1 -26,-2.1 84,-0.2 2,-0.4 -0.922 62.4-127.4-154.4 174.2 -27.6 60.5 -6.5 40 40 A Y E + C 0 122A 42 82,-2.7 82,-2.5 -2,-0.3 2,-0.3 -0.991 26.4 179.6-130.4 140.6 -25.8 57.4 -5.4 41 41 A Q E + C 0 121A 92 -2,-0.4 2,-0.3 80,-0.2 80,-0.2 -0.997 8.2 169.6-142.5 134.4 -27.5 54.5 -3.7 42 42 A N E - C 0 120A 38 78,-2.5 78,-1.7 -2,-0.3 3,-0.3 -0.832 18.2-167.1-148.9 111.2 -26.2 51.1 -2.4 43 43 A A E S+ 0 0 44 -2,-0.3 2,-0.4 76,-0.3 3,-0.2 0.689 85.6 51.8 -65.6 -16.8 -28.1 48.7 -0.2 44 44 A N E + 0 0 76 1,-0.1 -1,-0.2 73,-0.1 75,-0.2 -0.618 55.8 125.3-131.5 74.5 -24.9 46.7 0.6 45 45 A V E S+ 0 0 4 73,-1.8 -40,-3.0 -2,-0.4 -39,-1.1 0.734 83.6 18.4 -99.8 -31.2 -22.0 48.8 1.9 46 46 A W E S-AC 4 118A 0 72,-1.9 72,-2.6 -42,-0.3 2,-0.4 -0.989 70.1-140.2-135.9 145.5 -21.4 46.8 5.1 47 47 A R E +AC 3 117A 125 -44,-3.2 -44,-2.6 -2,-0.3 2,-0.3 -0.892 29.1 176.6-102.8 141.2 -22.5 43.4 6.1 48 48 A I E +AC 2 116A 3 68,-3.3 68,-3.3 -2,-0.4 2,-0.3 -0.947 8.3 159.7-141.8 159.7 -23.6 43.0 9.7 49 49 A G E + C 0 115A 12 -48,-1.6 66,-0.2 -2,-0.3 64,-0.2 -0.972 42.5 48.8-171.7 160.0 -25.1 40.3 12.0 50 50 A G S S- 0 0 44 62,-1.3 63,-0.3 64,-1.0 62,-0.2 0.995 122.2 -38.0 68.1 69.2 -25.6 39.2 15.6 51 51 A G S S+ 0 0 39 61,-1.6 -1,-0.2 60,-1.0 61,-0.2 0.506 89.7 161.4 67.1 4.8 -27.0 42.1 17.6 52 52 A F - 0 0 7 60,-0.4 59,-3.0 -51,-0.1 2,-0.5 -0.296 24.7-154.7 -61.4 140.4 -24.8 44.6 15.7 53 53 A a E +I 110 0B 1 99,-0.4 99,-2.0 57,-0.3 2,-0.4 -0.970 21.8 160.6-124.5 121.9 -26.0 48.3 16.0 54 54 A V E +IJ 109 151B 1 55,-2.6 55,-1.9 -2,-0.5 2,-0.2 -0.996 13.2 170.8-144.8 141.1 -25.1 50.8 13.4 55 55 A G E - J 0 150B 0 95,-2.0 95,-3.6 -2,-0.4 2,-0.4 -0.664 32.0-105.8-126.4-167.6 -26.1 54.2 12.1 56 56 A L E -IJ 106 149B 0 50,-1.7 49,-2.6 93,-0.3 50,-1.7 -0.986 18.0-165.5-129.0 134.4 -24.6 56.7 9.6 57 57 A D E -IJ 104 148B 15 91,-2.6 91,-2.5 -2,-0.4 2,-0.3 -0.850 15.2-162.4-103.4 152.6 -22.9 60.0 9.9 58 58 A G E -IJ 103 147B 0 45,-2.9 45,-3.2 -2,-0.3 2,-0.3 -0.958 7.8-167.5-134.5 154.1 -22.4 62.3 6.9 59 59 A K E - J 0 146B 50 87,-2.5 87,-2.1 -2,-0.3 2,-0.5 -0.991 8.4-155.6-143.3 132.0 -20.1 65.3 6.1 60 60 A V E - J 0 145B 0 39,-0.4 85,-0.3 -2,-0.3 84,-0.1 -0.942 4.2-171.4-108.7 129.8 -20.1 67.8 3.3 61 61 A D + 0 0 75 83,-2.6 84,-0.2 -2,-0.5 -1,-0.1 0.593 52.1 106.5 -95.7 -15.3 -16.8 69.5 2.5 62 62 A L S S- 0 0 14 82,-0.9 2,-0.2 1,-0.1 14,-0.1 -0.259 82.4 -95.3 -62.7 152.4 -18.2 72.1 -0.0 63 63 A P - 0 0 77 0, 0.0 12,-2.9 0, 0.0 2,-0.5 -0.489 34.4-120.2 -71.3 139.3 -18.3 75.7 1.2 64 64 A V E +D 74 0A 63 10,-0.2 10,-0.2 -2,-0.2 3,-0.1 -0.681 34.3 172.5 -77.4 123.8 -21.6 76.9 2.6 65 65 A V E - 0 0 84 8,-3.2 2,-0.3 -2,-0.5 9,-0.2 0.384 60.2 -47.1-113.9 1.0 -22.9 79.8 0.6 66 66 A G E -D 73 0A 31 7,-0.9 7,-2.9 2,-0.0 2,-0.3 -0.987 59.6 -96.5 163.6-163.0 -26.4 80.3 2.1 67 67 A S E -D 72 0A 81 5,-0.3 2,-0.4 -2,-0.3 5,-0.2 -0.991 10.0-154.6-150.9 158.8 -29.4 78.3 3.1 68 68 A L E > S-D 71 0A 56 3,-2.8 3,-1.5 -2,-0.3 -2,-0.0 -0.949 85.8 -20.3-138.7 108.9 -32.8 77.4 1.8 69 69 A D T 3 S- 0 0 160 -2,-0.4 3,-0.1 1,-0.3 -1,-0.1 0.860 129.8 -49.8 56.1 37.2 -35.5 76.6 4.3 70 70 A G T 3 S+ 0 0 64 1,-0.3 2,-0.4 0, 0.0 -1,-0.3 0.368 115.9 112.0 88.5 -5.2 -32.9 76.0 6.9 71 71 A Q E < S-D 68 0A 21 -3,-1.5 -3,-2.8 27,-0.1 -1,-0.3 -0.848 74.3-105.0-101.2 137.5 -30.8 73.6 4.8 72 72 A S E -D 67 0A 11 25,-0.8 2,-0.7 -2,-0.4 12,-0.4 -0.307 19.0-142.9 -58.1 135.9 -27.3 74.7 3.7 73 73 A I E -D 66 0A 6 -7,-2.9 -8,-3.2 10,-0.1 -7,-0.9 -0.933 22.2-152.0 -92.6 114.0 -26.8 75.7 0.0 74 74 A Y E -DE 64 82A 0 8,-2.8 8,-2.2 -2,-0.7 -10,-0.2 -0.799 13.3-125.3 -90.4 132.1 -23.3 74.4 -0.8 75 75 A G E + E 0 81A 9 -12,-2.9 6,-0.2 -2,-0.4 3,-0.1 -0.518 36.7 162.9 -84.2 140.9 -21.4 76.3 -3.5 76 76 A L S S- 0 0 35 4,-1.9 2,-0.3 1,-0.7 5,-0.2 0.689 74.6 -11.9-113.7 -54.6 -19.9 74.7 -6.6 77 77 A T S S- 0 0 60 3,-2.3 -1,-0.7 62,-0.0 52,-0.1 -0.823 80.9 -89.6-136.0 178.2 -19.4 77.7 -8.8 78 78 A E S S+ 0 0 136 -2,-0.3 3,-0.1 1,-0.2 -3,-0.0 0.781 128.5 38.4 -62.1 -24.1 -20.5 81.4 -8.7 79 79 A E S S+ 0 0 46 1,-0.2 50,-3.2 50,-0.2 51,-1.0 0.736 116.6 44.6 -97.0 -29.7 -23.6 80.3 -10.7 80 80 A V E + F 0 128A 1 48,-0.2 -3,-2.3 49,-0.2 -4,-1.9 -0.974 53.0 165.9-131.2 128.7 -24.5 76.9 -9.2 81 81 A G E -EF 75 127A 0 46,-2.6 46,-2.4 -2,-0.4 2,-0.3 -0.501 24.9-124.9-116.0-166.8 -24.8 75.5 -5.7 82 82 A L E -EF 74 126A 0 -8,-2.2 -8,-2.8 44,-0.3 2,-0.4 -0.999 5.7-144.7-143.5 142.3 -26.4 72.3 -4.3 83 83 A L E - F 0 125A 7 42,-2.5 42,-2.2 -2,-0.3 2,-0.4 -0.902 35.0-158.1 -94.1 138.6 -28.9 71.1 -1.7 84 84 A I E - F 0 124A 0 -12,-0.4 13,-3.0 -2,-0.4 2,-0.4 -0.951 19.2-174.4-128.9 138.5 -27.6 67.8 -0.3 85 85 A W E +GF 96 123A 38 38,-2.5 38,-2.0 -2,-0.4 2,-0.3 -0.997 7.1 179.5-126.2 136.4 -29.2 64.9 1.5 86 86 A M E +GF 95 122A 0 9,-2.2 9,-3.0 -2,-0.4 2,-0.3 -0.971 25.5 99.6-130.2 150.2 -27.3 61.9 2.9 87 87 A G E - F 0 121A 0 34,-2.2 34,-2.3 -2,-0.3 19,-0.2 -0.980 59.9 -10.3 172.2-156.7 -28.7 58.9 4.8 88 88 A D S S- 0 0 28 5,-0.5 32,-0.3 17,-0.4 5,-0.1 -0.006 81.9 -79.8 -65.2 175.1 -29.8 55.3 4.8 89 89 A T S S+ 0 0 29 30,-0.2 2,-0.2 31,-0.2 31,-0.2 0.840 109.9 79.3 -48.6 -47.8 -30.2 53.3 1.7 90 90 A N S > S- 0 0 55 1,-0.1 3,-1.2 31,-0.1 31,-0.1 -0.476 74.5-143.2 -68.8 129.8 -33.6 54.7 0.7 91 91 A Y G > S+ 0 0 34 1,-0.3 3,-1.8 -2,-0.2 -1,-0.1 0.845 99.9 62.1 -58.2 -36.2 -33.5 58.1 -0.9 92 92 A S G 3 S+ 0 0 77 1,-0.3 -1,-0.3 -5,-0.0 -3,-0.1 0.740 97.6 57.4 -64.2 -25.7 -36.7 59.1 0.9 93 93 A R G < S+ 0 0 166 -3,-1.2 -5,-0.5 -5,-0.1 -1,-0.3 0.287 80.0 135.8 -90.5 11.1 -35.0 58.7 4.2 94 94 A G < - 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