==== 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-APR-13 4K0O . COMPND 2 MOLECULE: F17B-G FIMBRIAL ADHESIN; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR L.BUTS,R.LORIS,J.BOUCKAERT,K.MOONENS . 175 1 1 1 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 8322.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 110 62.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 10 5.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 67 38.3 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.6 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 . 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 . 16 9.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 8 4.6 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 2 3 1 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 0 115 0, 0.0 48,-1.8 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0 147.4 -23.9 34.1 13.7 2 2 A V E -A 48 0A 16 46,-0.2 2,-0.3 154,-0.2 46,-0.2 -0.984 360.0-179.6-141.6 144.1 -24.6 32.0 10.5 3 3 A S E -A 47 0A 48 44,-2.8 44,-3.9 -2,-0.3 2,-0.5 -0.991 28.4-121.7-139.5 148.5 -26.3 32.2 7.1 4 4 A F E +A 46 0A 51 -2,-0.3 42,-0.3 42,-0.3 41,-0.1 -0.778 35.9 159.6 -93.8 129.8 -26.7 29.7 4.3 5 5 A I + 0 0 63 40,-3.3 41,-0.2 -2,-0.5 -1,-0.1 0.279 46.4 75.8-133.8 8.5 -25.4 30.8 0.9 6 6 A G S S- 0 0 20 39,-1.2 2,-0.4 1,-0.1 39,-0.1 -0.158 83.0 -72.3-109.5-157.5 -24.8 27.6 -1.2 7 7 A S - 0 0 66 1,-0.1 -1,-0.1 -2,-0.1 158,-0.1 -0.822 21.4-149.7-107.8 143.4 -26.9 25.1 -3.1 8 8 A T S S+ 0 0 60 -2,-0.4 157,-3.3 1,-0.1 2,-0.5 0.926 89.7 45.4 -75.2 -46.1 -29.1 22.4 -1.7 9 9 A E E S-h 165 0B 112 155,-0.2 2,-0.4 157,-0.0 157,-0.2 -0.866 75.1-175.4-101.5 130.4 -28.7 20.0 -4.4 10 10 A N E -h 166 0B 6 155,-1.0 157,-2.8 -2,-0.5 2,-0.4 -0.986 17.7-138.9-133.5 133.0 -25.1 19.4 -5.6 11 11 A D E -h 167 0B 75 -2,-0.4 2,-0.6 155,-0.2 157,-0.2 -0.729 13.4-144.2 -94.1 136.5 -23.7 17.3 -8.5 12 12 A V E -h 168 0B 0 155,-3.4 157,-2.6 -2,-0.4 28,-0.2 -0.876 63.9 -3.6-104.5 114.9 -20.5 15.3 -8.0 13 13 A G S S- 0 0 12 26,-1.5 2,-0.2 -2,-0.6 25,-0.2 -0.010 96.4 -58.4 91.6 159.8 -18.2 15.1 -11.0 14 14 A P > - 0 0 72 0, 0.0 3,-1.0 0, 0.0 2,-0.1 -0.506 66.3 -94.0 -72.5 144.1 -18.5 16.4 -14.6 15 15 A S T 3 S+ 0 0 82 1,-0.3 156,-0.1 -2,-0.2 -2,-0.1 -0.387 107.5 4.4 -61.8 132.1 -21.6 15.2 -16.6 16 16 A Q T 3 S- 0 0 122 154,-1.6 155,-0.3 1,-0.1 -1,-0.3 0.907 89.3-172.0 58.3 47.9 -20.7 12.1 -18.7 17 17 A G E < -l 171 0C 8 153,-1.3 155,-2.8 -3,-1.0 2,-0.5 -0.370 14.0-141.8 -69.1 148.0 -17.2 11.8 -17.3 18 18 A S E -l 172 0C 86 153,-0.2 2,-0.4 -2,-0.1 155,-0.2 -0.957 19.5-177.7-117.1 121.8 -14.9 9.3 -19.0 19 19 A Y E +l 173 0C 24 153,-3.3 155,-3.5 -2,-0.5 2,-0.3 -0.965 6.2 168.9-125.0 130.9 -12.4 7.4 -16.8 20 20 A S E -l 174 0C 75 -2,-0.4 2,-0.3 153,-0.2 155,-0.2 -0.939 13.4-161.1-139.0 157.3 -9.9 4.8 -18.0 21 21 A S - 0 0 30 153,-1.0 11,-0.0 -2,-0.3 -2,-0.0 -0.999 20.8-157.5-143.5 143.7 -6.9 2.9 -16.7 22 22 A T + 0 0 151 -2,-0.3 -1,-0.1 153,-0.1 153,-0.0 0.709 66.0 111.4 -83.6 -25.5 -3.9 1.1 -18.2 23 23 A H S S- 0 0 138 1,-0.1 -2,-0.1 2,-0.0 9,-0.0 0.003 79.9-110.3 -54.0 159.6 -3.5 -1.0 -15.0 24 24 A A - 0 0 68 1,-0.1 -1,-0.1 3,-0.0 6,-0.0 0.783 25.1-157.8 -71.3 -36.9 -4.3 -4.7 -15.2 25 25 A M + 0 0 37 2,-0.1 3,-0.1 1,-0.1 5,-0.1 0.846 57.2 117.4 57.3 39.1 -7.5 -5.1 -13.2 26 26 A D + 0 0 127 1,-0.2 2,-1.0 3,-0.1 -1,-0.1 0.649 62.7 65.4-104.0 -24.0 -6.9 -8.8 -12.5 27 27 A N S S- 0 0 139 2,-0.0 -1,-0.2 0, 0.0 -2,-0.1 -0.768 96.2-130.6 -97.2 86.4 -6.7 -8.4 -8.8 28 28 A L S S+ 0 0 60 -2,-1.0 101,-0.1 -3,-0.1 2,-0.1 -0.470 84.0 57.1 -78.8 153.7 -10.2 -7.3 -7.9 29 29 A P S S- 0 0 81 0, 0.0 2,-0.5 0, 0.0 100,-0.2 0.570 78.5-170.4 -70.6 147.2 -11.5 -5.3 -6.4 30 30 A F E -B 128 0A 27 98,-2.1 98,-4.1 -2,-0.1 2,-0.6 -0.935 10.9-151.1-113.9 131.5 -9.8 -2.6 -8.4 31 31 A V E -B 127 0A 42 -2,-0.5 2,-0.2 96,-0.3 96,-0.2 -0.871 9.9-140.9-104.2 116.5 -9.8 1.1 -7.6 32 32 A Y - 0 0 5 94,-2.1 2,-1.3 -2,-0.6 3,-0.1 -0.555 18.2-133.8 -63.7 131.2 -9.5 3.7 -10.4 33 33 A N + 0 0 130 -2,-0.2 3,-0.1 1,-0.2 -1,-0.1 -0.739 40.9 160.3 -87.2 88.1 -7.2 6.5 -9.1 34 34 A T > - 0 0 8 -2,-1.3 3,-2.3 1,-0.3 4,-0.3 0.324 32.3-154.0 -89.0 6.9 -9.5 9.3 -10.3 35 35 A G T 3 - 0 0 17 1,-0.3 -1,-0.3 2,-0.1 3,-0.1 -0.365 62.0 -35.8 57.4-126.2 -7.8 11.7 -7.8 36 36 A Y T 3 S+ 0 0 107 -2,-0.1 -1,-0.3 1,-0.1 3,-0.2 0.108 111.0 108.1-110.3 16.0 -10.1 14.5 -6.9 37 37 A N S < S+ 0 0 117 -3,-2.3 2,-1.5 1,-0.2 -2,-0.1 0.887 70.4 58.4 -65.0 -40.9 -11.6 14.6 -10.4 38 38 A I S S+ 0 0 1 86,-0.4 86,-2.3 -4,-0.3 2,-0.3 -0.618 95.4 98.3 -89.6 80.1 -14.9 13.1 -9.4 39 39 A G E - C 0 123A 13 -2,-1.5 -26,-1.5 84,-0.2 2,-0.3 -0.943 62.5-127.5-155.0 170.4 -16.0 15.7 -6.9 40 40 A Y E + C 0 122A 42 82,-2.8 82,-2.5 -2,-0.3 2,-0.3 -0.959 26.5 177.0-122.1 148.6 -17.8 18.7 -5.6 41 41 A Q E + C 0 121A 92 -2,-0.3 2,-0.3 80,-0.2 80,-0.2 -0.951 8.6 163.2-154.8 127.9 -16.1 21.6 -3.9 42 42 A N E - C 0 120A 39 78,-2.2 78,-2.2 -2,-0.3 3,-0.2 -0.901 20.0-166.2-150.6 119.1 -17.5 24.9 -2.6 43 43 A A E S+ 0 0 39 -2,-0.3 2,-0.5 76,-0.3 3,-0.2 0.654 84.2 58.0 -76.0 -16.3 -15.8 27.2 -0.1 44 44 A N E + 0 0 77 1,-0.1 -1,-0.2 73,-0.1 75,-0.2 -0.694 55.9 121.3-124.7 78.9 -18.9 29.2 0.5 45 45 A V E S+ 0 0 3 73,-2.3 -40,-3.3 -2,-0.5 -39,-1.2 0.797 82.4 21.0-103.7 -45.2 -21.9 27.2 1.7 46 46 A W E S-AC 4 118A 1 72,-1.9 72,-3.1 -42,-0.3 2,-0.5 -0.973 70.9-140.0-121.1 143.3 -22.6 29.0 5.0 47 47 A R E +AC 3 117A 116 -44,-3.9 -44,-2.8 -2,-0.4 2,-0.3 -0.887 30.7 179.7 -96.9 129.5 -21.6 32.5 6.0 48 48 A I E +AC 2 116A 1 68,-2.3 68,-2.9 -2,-0.5 2,-0.3 -0.896 7.8 157.9-130.0 158.4 -20.4 32.7 9.6 49 49 A G E + C 0 115A 1 -48,-1.8 66,-0.2 -2,-0.3 3,-0.1 -0.970 40.3 44.4-172.5 157.9 -19.1 35.3 12.0 50 50 A G S S- 0 0 44 64,-1.2 63,-0.2 62,-0.4 62,-0.1 0.984 122.5 -36.6 68.5 64.4 -18.6 36.5 15.5 51 51 A G S S+ 0 0 39 61,-2.7 -1,-0.2 60,-0.5 104,-0.2 0.455 90.2 158.1 75.7 -0.1 -17.2 33.6 17.5 52 52 A F - 0 0 6 60,-0.3 59,-2.5 -51,-0.1 2,-0.5 -0.355 25.5-158.1 -62.5 130.8 -19.3 31.1 15.7 53 53 A a E +I 110 0B 3 99,-0.5 99,-2.1 57,-0.3 2,-0.3 -0.953 19.7 162.3-116.5 131.6 -17.9 27.6 15.9 54 54 A V E +IJ 109 151B 1 55,-2.6 55,-1.9 -2,-0.5 2,-0.2 -0.994 15.1 173.9-150.2 148.2 -18.8 24.9 13.3 55 55 A G E - J 0 150B 0 95,-1.8 95,-3.6 -2,-0.3 2,-0.4 -0.675 31.7-102.6-135.0-166.6 -17.7 21.6 11.9 56 56 A L E -IJ 106 149B 0 50,-2.0 49,-2.7 93,-0.3 50,-1.4 -0.981 17.3-162.8-132.6 136.7 -19.2 19.1 9.5 57 57 A D E -IJ 104 148B 18 91,-2.7 91,-2.1 -2,-0.4 2,-0.3 -0.887 15.6-158.6-108.5 148.9 -21.0 15.8 9.7 58 58 A G E -IJ 103 147B 0 45,-3.3 45,-2.9 -2,-0.4 2,-0.3 -0.913 9.0-171.4-126.5 155.4 -21.4 13.5 6.7 59 59 A X E - J 0 146B 118 87,-2.0 87,-2.0 -2,-0.3 2,-0.5 -0.954 7.7-159.6-150.4 125.5 -23.7 10.7 5.8 60 60 A V E - J 0 145B 0 39,-0.4 85,-0.2 -2,-0.3 84,-0.0 -0.912 2.5-170.7-108.4 125.8 -23.6 8.2 2.9 61 61 A D + 0 0 78 83,-2.5 84,-0.2 -2,-0.5 -1,-0.1 0.544 52.0 105.8 -96.1 -7.7 -26.9 6.5 1.9 62 62 A L S S- 0 0 15 82,-0.7 2,-0.3 1,-0.1 14,-0.1 -0.265 81.9 -94.7 -68.7 158.0 -25.5 3.9 -0.5 63 63 A P - 0 0 76 0, 0.0 12,-2.9 0, 0.0 2,-0.3 -0.597 33.9-124.1 -77.8 136.3 -25.3 0.3 0.6 64 64 A V E +D 74 0A 60 -2,-0.3 10,-0.2 10,-0.2 3,-0.1 -0.640 33.0 171.5 -76.3 132.4 -21.9 -0.9 2.0 65 65 A V E - 0 0 82 8,-3.3 2,-0.3 -2,-0.3 9,-0.2 0.388 60.4 -38.2-123.3 -2.6 -20.6 -3.9 0.1 66 66 A G E -D 73 0A 31 7,-0.9 7,-2.5 2,-0.0 2,-0.3 -0.980 59.7 -98.9 171.1-163.6 -17.2 -4.2 1.6 67 67 A S E -D 72 0A 87 5,-0.3 2,-0.3 -2,-0.3 5,-0.2 -0.984 14.6-165.5-146.5 158.0 -14.1 -2.3 2.9 68 68 A L E > S-D 71 0A 60 3,-2.9 3,-0.5 -2,-0.3 -2,-0.0 -0.853 75.2 -23.8-149.8 111.1 -10.7 -1.3 1.7 69 69 A D T 3 S- 0 0 150 -2,-0.3 3,-0.1 1,-0.2 0, 0.0 0.915 129.5 -40.0 51.9 49.7 -8.0 -0.1 4.0 70 70 A G T 3 S+ 0 0 73 1,-0.2 2,-0.3 0, 0.0 -1,-0.2 0.539 120.3 92.4 87.5 8.2 -10.3 1.1 6.7 71 71 A Q E < S-D 68 0A 19 -3,-0.5 -3,-2.9 27,-0.0 27,-0.2 -0.986 75.3-101.8-137.3 150.5 -13.1 2.6 4.7 72 72 A S E -D 67 0A 14 25,-0.9 2,-0.6 -2,-0.3 12,-0.5 -0.283 19.5-138.5 -68.5 145.2 -16.3 1.3 3.3 73 73 A I E -D 66 0A 9 -7,-2.5 -8,-3.3 10,-0.1 -7,-0.9 -0.936 22.9-152.1 -99.1 119.7 -16.9 0.3 -0.3 74 74 A Y E -DE 64 82A 0 8,-2.6 8,-2.0 -2,-0.6 2,-0.4 -0.787 12.3-125.7 -97.9 135.8 -20.3 1.6 -1.4 75 75 A G E + E 0 81A 9 -12,-2.9 6,-0.2 -2,-0.4 3,-0.1 -0.641 36.4 161.6 -88.4 130.7 -22.2 -0.2 -4.1 76 76 A L S S- 0 0 35 4,-2.6 2,-0.2 1,-0.4 5,-0.2 0.763 77.1 -11.6 -99.8 -54.7 -23.6 1.4 -7.3 77 77 A T S S- 0 0 54 3,-2.6 -1,-0.4 62,-0.0 52,-0.0 -0.721 82.1 -86.2-131.7-174.7 -24.0 -1.7 -9.3 78 78 A E S S+ 0 0 157 -2,-0.2 3,-0.1 1,-0.2 -3,-0.0 0.752 130.6 27.1 -66.5 -23.8 -23.1 -5.4 -9.1 79 79 A E S S+ 0 0 44 50,-0.2 50,-2.8 1,-0.1 51,-0.5 0.587 116.0 63.9-114.7 -15.9 -19.8 -4.5 -10.8 80 80 A V E + F 0 128A 2 48,-0.2 -3,-2.6 49,-0.1 -4,-2.6 -0.949 54.2 161.7-120.7 129.4 -19.2 -0.9 -9.8 81 81 A G E -EF 75 127A 0 46,-2.6 46,-2.0 -2,-0.4 2,-0.3 -0.636 23.6-126.5-127.1-172.1 -18.6 0.6 -6.3 82 82 A L E -EF 74 126A 0 -8,-2.0 -8,-2.6 44,-0.2 2,-0.5 -0.999 6.6-150.0-144.6 139.3 -17.2 3.8 -4.7 83 83 A L E - 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