==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=28-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LECTIN 18-MAY-05 2BS7 . COMPND 2 MOLECULE: F17BG LECTIN; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR L.BUTS,A.WELLENS,I.VAN MOLLE,L.WYNS,R.LORIS,M.LAHMANN, . 176 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 8337.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 112 63.6 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 . 17 9.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 7 4.0 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 1 V 0 0 115 0, 0.0 48,-2.3 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0 153.1 -23.6 -33.8 -13.3 2 2 1 V E -A 48 0A 15 46,-0.3 2,-0.3 154,-0.1 46,-0.2 -0.997 360.0-176.3-154.2 152.9 -24.3 -31.8 -10.1 3 3 1 S E -A 47 0A 48 44,-2.2 44,-3.0 -2,-0.3 2,-0.5 -0.981 31.8-113.4-147.4 150.7 -26.3 -31.7 -6.9 4 4 1 F E +A 46 0A 48 -2,-0.3 42,-0.3 42,-0.3 157,-0.1 -0.783 39.2 159.9 -89.4 122.8 -26.7 -29.1 -4.0 5 5 1 I + 0 0 63 40,-2.4 41,-0.2 -2,-0.5 -1,-0.1 0.260 49.0 74.2-125.7 9.9 -25.3 -30.4 -0.7 6 6 1 G S S- 0 0 20 39,-1.4 2,-0.4 1,-0.1 39,-0.1 -0.004 83.9 -77.3-104.0-149.5 -24.8 -27.3 1.3 7 7 1 S - 0 0 63 1,-0.1 158,-0.1 158,-0.1 -2,-0.1 -0.937 17.7-146.6-121.8 145.6 -26.9 -24.8 3.2 8 8 1 T S S+ 0 0 58 -2,-0.4 157,-3.3 1,-0.2 2,-0.6 0.817 89.3 47.9 -74.6 -38.7 -29.0 -21.9 1.9 9 9 1 E E S-h 165 0B 115 155,-0.2 2,-0.4 157,-0.1 157,-0.2 -0.943 72.6-177.2-111.7 121.1 -28.6 -19.5 4.8 10 10 1 N E -h 166 0B 8 155,-1.4 157,-3.0 -2,-0.6 2,-0.4 -0.970 18.5-139.9-127.4 131.4 -25.0 -19.0 6.0 11 11 1 D E -h 167 0B 72 -2,-0.4 2,-0.6 155,-0.2 157,-0.2 -0.740 15.2-142.4 -89.9 131.4 -23.6 -17.0 8.9 12 12 1 V E -h 168 0B 0 155,-3.4 157,-2.2 -2,-0.4 28,-0.2 -0.832 63.7 -7.8 -99.9 120.4 -20.4 -15.0 8.4 13 13 1 G S S- 0 0 11 26,-2.3 25,-0.2 -2,-0.6 156,-0.1 0.166 99.9 -52.3 79.7 157.9 -18.0 -14.8 11.4 14 14 1 P > - 0 0 75 0, 0.0 3,-1.6 0, 0.0 -2,-0.1 -0.371 65.8 -95.3 -70.3 142.8 -18.6 -16.1 15.0 15 15 1 S T 3 S+ 0 0 80 1,-0.3 156,-0.1 -2,-0.1 -2,-0.1 -0.332 109.0 3.2 -55.9 133.1 -21.7 -14.9 16.8 16 16 1 Q T 3 S- 0 0 122 154,-1.2 -1,-0.3 1,-0.1 155,-0.3 0.849 90.9-173.7 56.3 37.3 -20.9 -11.9 18.9 17 17 1 G E < -l 171 0C 8 -3,-1.6 155,-2.8 153,-1.1 2,-0.5 -0.252 16.3-138.0 -59.2 155.5 -17.3 -11.8 17.7 18 18 1 S E -l 172 0C 85 153,-0.2 2,-0.5 155,-0.0 155,-0.2 -0.961 20.5-175.5-121.2 113.6 -15.0 -9.2 19.3 19 19 1 Y E +l 173 0C 23 153,-3.0 155,-2.9 -2,-0.5 2,-0.3 -0.949 8.8 167.4-119.3 123.6 -12.6 -7.2 17.1 20 20 1 S E -l 174 0C 69 -2,-0.5 2,-0.3 153,-0.2 155,-0.2 -0.859 13.3-165.8-129.8 160.4 -10.1 -4.8 18.5 21 21 1 S E -l 175 0C 18 153,-1.0 155,-1.0 -2,-0.3 11,-0.0 -0.997 21.9-154.1-149.4 144.7 -7.0 -2.9 17.2 22 22 1 T + 0 0 127 -2,-0.3 2,-0.1 154,-0.2 -1,-0.1 0.468 63.0 117.4 -93.5 -7.2 -4.1 -1.0 18.8 23 23 1 H S S- 0 0 136 1,-0.1 -2,-0.1 2,-0.0 153,-0.0 -0.386 73.2-121.5 -65.4 139.7 -3.7 1.1 15.7 24 24 1 A - 0 0 86 1,-0.1 -1,-0.1 -2,-0.1 -3,-0.0 0.846 22.1-152.9 -48.7 -51.8 -4.3 4.9 16.2 25 25 1 M + 0 0 10 2,-0.1 -1,-0.1 6,-0.1 3,-0.1 0.805 41.1 146.0 76.7 30.1 -7.1 5.5 13.7 26 26 1 D + 0 0 140 1,-0.2 2,-0.6 2,-0.0 4,-0.1 0.894 64.1 44.7 -67.4 -41.9 -6.2 9.2 13.1 27 27 1 N S S- 0 0 132 2,-0.1 -1,-0.2 0, 0.0 -2,-0.1 -0.912 92.7-112.3-114.1 121.2 -7.2 9.1 9.4 28 28 1 L S S+ 0 0 59 -2,-0.6 101,-0.1 -3,-0.1 2,-0.1 -0.464 88.0 57.9 -89.7 159.2 -10.5 7.5 8.3 29 29 1 P S S- 0 0 83 0, 0.0 2,-0.5 0, 0.0 100,-0.2 0.574 75.2-171.7 -70.7 147.0 -11.7 5.4 6.7 30 30 1 F E -B 128 0A 28 98,-1.9 98,-3.5 -2,-0.1 2,-0.5 -0.954 10.5-148.5-115.4 127.9 -9.8 2.9 9.0 31 31 1 V E -B 127 0A 44 -2,-0.5 2,-0.5 96,-0.2 96,-0.2 -0.795 7.7-140.7 -98.5 125.6 -9.8 -0.8 8.2 32 32 1 Y - 0 0 2 94,-2.9 2,-1.5 -2,-0.5 3,-0.1 -0.722 18.1-137.4 -79.3 127.9 -9.6 -3.4 11.0 33 33 1 N + 0 0 133 -2,-0.5 3,-0.1 1,-0.2 -1,-0.1 -0.635 42.2 155.8 -90.8 82.2 -7.3 -6.1 9.7 34 34 1 T > - 0 0 10 -2,-1.5 3,-2.6 1,-0.3 4,-0.3 0.269 35.1-153.4 -88.8 9.6 -9.4 -9.1 10.9 35 35 1 G T 3 - 0 0 19 1,-0.3 -1,-0.3 2,-0.1 3,-0.2 -0.342 64.8 -31.4 57.3-122.8 -7.8 -11.4 8.3 36 36 1 Y T 3 S+ 0 0 100 1,-0.1 -1,-0.3 -2,-0.1 3,-0.1 0.160 108.4 110.5-111.2 14.2 -10.3 -14.2 7.5 37 37 1 N S < S+ 0 0 109 -3,-2.6 2,-1.4 1,-0.2 -2,-0.1 0.849 72.7 56.2 -60.6 -37.0 -11.8 -14.2 11.0 38 38 1 I S S+ 0 0 0 86,-0.4 86,-2.0 -4,-0.3 2,-0.3 -0.652 95.5 100.2 -96.9 80.7 -15.1 -12.8 9.8 39 39 1 G E - C 0 123A 11 -2,-1.4 -26,-2.3 84,-0.2 2,-0.4 -0.909 60.5-134.4-153.3 176.1 -16.0 -15.3 7.3 40 40 1 Y E + C 0 122A 44 82,-2.6 82,-2.2 -2,-0.3 2,-0.3 -0.992 25.5 175.5-136.1 136.9 -17.8 -18.4 6.1 41 41 1 Q E + C 0 121A 87 -2,-0.4 2,-0.3 80,-0.2 80,-0.2 -0.999 8.7 168.4-143.9 140.0 -16.1 -21.2 4.2 42 42 1 N E - C 0 120A 40 78,-2.4 78,-2.0 -2,-0.3 3,-0.3 -0.873 19.5-162.9-153.3 116.1 -17.4 -24.6 3.0 43 43 1 A E S+ 0 0 42 -2,-0.3 2,-0.3 76,-0.3 3,-0.2 0.639 85.1 55.1 -75.4 -8.2 -15.5 -26.8 0.6 44 44 1 N E + 0 0 76 1,-0.1 75,-0.2 73,-0.1 -1,-0.2 -0.644 53.9 124.9-131.5 80.2 -18.7 -28.8 -0.2 45 45 1 V E S+ 0 0 3 73,-2.2 -40,-2.4 1,-0.3 -39,-1.4 0.729 81.7 20.3-103.9 -31.4 -21.8 -26.9 -1.4 46 46 1 W E S-AC 4 118A 1 72,-1.7 72,-2.4 -42,-0.3 2,-0.4 -0.981 70.4-139.0-135.8 146.1 -22.5 -28.7 -4.7 47 47 1 R E +AC 3 117A 110 -44,-3.0 -44,-2.2 -2,-0.3 2,-0.3 -0.888 30.5 178.0-103.3 139.1 -21.4 -32.2 -5.7 48 48 1 I E +AC 2 116A 1 68,-2.8 68,-3.4 -2,-0.4 2,-0.3 -0.955 7.4 157.6-139.2 159.4 -20.3 -32.4 -9.4 49 49 1 G E + C 0 115A 0 -48,-2.3 66,-0.2 -2,-0.3 64,-0.1 -0.987 41.0 53.6-172.7 164.0 -18.9 -35.0 -11.8 50 50 1 G S S- 0 0 49 64,-1.8 63,-0.2 62,-0.7 62,-0.2 0.957 123.7 -41.1 69.1 55.7 -18.4 -36.1 -15.4 51 51 1 G S S+ 0 0 37 61,-2.5 -1,-0.2 60,-0.5 61,-0.2 0.660 87.6 167.2 69.4 16.2 -16.8 -33.1 -17.0 52 52 1 F - 0 0 7 60,-0.4 59,-3.3 -51,-0.2 2,-0.5 -0.449 22.1-153.3 -66.1 133.9 -19.0 -30.7 -15.2 53 53 1 C E +I 110 0B 0 99,-0.5 99,-2.4 57,-0.3 2,-0.3 -0.941 23.7 161.9-112.8 123.6 -17.7 -27.1 -15.6 54 54 1 V E +IJ 109 151B 0 55,-2.7 55,-1.5 -2,-0.5 2,-0.2 -0.994 14.8 170.1-148.9 141.4 -18.6 -24.6 -12.9 55 55 1 G E - J 0 150B 0 95,-2.4 95,-3.3 -2,-0.3 2,-0.4 -0.589 32.1-106.8-127.7-168.6 -17.5 -21.2 -11.6 56 56 1 L E -IJ 106 149B 0 50,-2.0 49,-3.0 93,-0.3 50,-1.5 -0.987 16.6-163.0-132.0 138.1 -19.0 -18.8 -9.1 57 57 1 D E -IJ 104 148B 13 91,-3.1 91,-2.7 -2,-0.4 2,-0.3 -0.859 15.1-162.4-109.1 152.1 -20.8 -15.4 -9.2 58 58 1 G E -IJ 103 147B 0 45,-3.0 45,-3.0 -2,-0.3 2,-0.3 -0.932 7.0-170.0-130.2 156.2 -21.2 -13.3 -6.2 59 59 1 K E - J 0 146B 44 87,-2.6 87,-2.4 -2,-0.3 2,-0.5 -0.964 8.4-157.7-150.3 131.4 -23.5 -10.3 -5.3 60 60 1 V E - J 0 145B 0 39,-0.4 85,-0.3 41,-0.3 84,-0.1 -0.929 2.3-169.6-108.1 131.5 -23.4 -7.9 -2.4 61 61 1 D + 0 0 79 83,-2.8 84,-0.2 -2,-0.5 -1,-0.1 0.595 52.3 106.1 -97.7 -10.7 -26.7 -6.1 -1.6 62 62 1 L S S- 0 0 17 82,-0.8 2,-0.2 1,-0.1 14,-0.1 -0.275 82.5 -94.1 -66.5 153.0 -25.4 -3.5 0.9 63 63 1 P - 0 0 80 0, 0.0 12,-2.8 0, 0.0 2,-0.4 -0.470 34.2-121.9 -71.9 141.0 -25.2 0.1 -0.3 64 64 1 V E +D 74 0A 63 10,-0.2 10,-0.2 -2,-0.2 3,-0.1 -0.686 32.3 173.5 -81.1 126.4 -21.8 1.2 -1.7 65 65 1 V E - 0 0 83 8,-2.9 2,-0.3 -2,-0.4 9,-0.2 0.292 60.6 -52.0-115.1 7.0 -20.5 4.3 0.2 66 66 1 G E -D 73 0A 34 7,-0.7 7,-2.2 2,-0.0 2,-0.3 -0.993 59.1 -97.9 155.4-159.9 -17.1 4.6 -1.4 67 67 1 S E -D 72 0A 87 -2,-0.3 2,-0.4 5,-0.3 5,-0.2 -0.994 9.0-155.4-157.2 162.7 -14.0 2.6 -2.2 68 68 1 L E > S-D 71 0A 66 3,-2.8 3,-1.3 -2,-0.3 -2,-0.0 -0.980 81.2 -18.9-143.4 121.3 -10.5 1.7 -1.1 69 69 1 D T 3 S- 0 0 149 -2,-0.4 3,-0.1 1,-0.3 -1,-0.0 0.867 129.5 -45.6 46.9 48.7 -7.9 0.5 -3.5 70 70 1 G T 3 S+ 0 0 69 1,-0.2 2,-0.4 0, 0.0 -1,-0.3 0.634 119.0 103.5 74.5 16.3 -10.3 -0.4 -6.2 71 71 1 Q E < S-D 68 0A 15 -3,-1.3 -3,-2.8 27,-0.0 27,-0.2 -0.997 73.5-111.0-133.1 132.6 -12.8 -2.2 -4.0 72 72 1 S E -D 67 0A 11 25,-0.8 2,-0.6 -2,-0.4 12,-0.4 -0.258 15.9-139.9 -61.7 145.7 -16.1 -0.9 -2.7 73 73 1 I E -D 66 0A 6 -7,-2.2 -8,-2.9 10,-0.1 -7,-0.7 -0.951 23.5-151.8-103.1 119.0 -16.7 0.0 1.0 74 74 1 Y E -DE 64 82A 0 8,-3.2 8,-2.4 -2,-0.6 2,-0.3 -0.820 12.9-124.5 -94.5 135.1 -20.2 -1.2 1.7 75 75 1 G E + E 0 81A 8 -12,-2.8 6,-0.3 -2,-0.4 3,-0.1 -0.596 35.2 165.4 -85.7 140.5 -22.1 0.6 4.5 76 76 1 L S S- 0 0 31 4,-2.6 2,-0.3 1,-0.6 5,-0.2 0.668 77.1 -14.2-112.5 -44.3 -23.6 -1.1 7.6 77 77 1 T S S- 0 0 52 3,-2.4 -1,-0.6 62,-0.0 52,-0.1 -0.830 84.1 -84.1-145.2-178.9 -24.3 2.0 9.6 78 78 1 E S S+ 0 0 142 -2,-0.3 3,-0.1 1,-0.2 -3,-0.0 0.819 129.7 32.7 -64.1 -28.8 -23.2 5.7 9.5 79 79 1 E S S+ 0 0 55 50,-0.2 50,-3.2 1,-0.1 51,-0.9 0.683 115.7 56.2-100.6 -22.8 -20.0 4.8 11.3 80 80 1 V E + F 0 128A 2 48,-0.2 -4,-2.6 49,-0.2 -3,-2.4 -0.947 53.1 161.1-122.1 135.6 -19.2 1.2 10.1 81 81 1 G E -EF 75 127A 0 46,-2.5 46,-2.6 -2,-0.4 2,-0.3 -0.672 24.2-128.3-129.8-174.9 -18.7 -0.2 6.7 82 82 1 L E -EF 74 126A 0 -8,-2.4 -8,-3.2 44,-0.3 2,-0.4 -0.993 7.0-146.3-143.2 150.1 -17.2 -3.4 5.2 83 83 1 L E - 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