==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=18-SEP-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER SUGAR BINDING PROTEIN 09-SEP-10 2XR4 . COMPND 2 MOLECULE: LECTIN; . SOURCE 2 ORGANISM_SCIENTIFIC: BURKHOLDERIA CENOCEPACIA; . AUTHOR O.SULAK,G.CIOCI,E.LAMEIGNERE,M.DELIA,M.WIMMEROVA,A.IMBERTY . 232 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10394.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 157 67.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 111 47.8 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 . 2 0.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.9 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 . 22 9.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 13 5.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 2 0.9 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 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 PARALLEL BRIDGES PER LADDER . 2 2 3 0 1 3 5 0 2 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 0 0 2 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 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 0 A M 0 0 120 0, 0.0 2,-0.2 0, 0.0 79,-0.0 0.000 360.0 360.0 360.0 -23.7 -8.2 23.1 11.0 2 1 A E - 0 0 50 79,-0.1 79,-0.2 77,-0.1 2,-0.2 -0.590 360.0-167.1 -58.2 134.4 -10.3 26.1 12.0 3 2 A R B -A 80 0A 89 77,-1.9 77,-1.7 -2,-0.2 4,-0.1 -0.407 30.3 -92.8-110.6-162.0 -9.0 28.9 9.7 4 3 A D S S- 0 0 86 75,-0.2 3,-0.1 -2,-0.2 63,-0.1 -0.143 72.4 -74.7-114.3 34.7 -9.5 32.7 9.8 5 4 A G S S+ 0 0 0 1,-0.3 62,-2.7 88,-0.2 2,-0.4 0.668 93.0 127.8 85.2 16.6 -12.5 33.3 7.5 6 5 A T E -F 66 0B 26 60,-0.2 2,-0.3 74,-0.1 -1,-0.3 -0.917 34.2-179.7-109.3 137.2 -10.6 32.8 4.2 7 6 A F E -F 65 0B 1 58,-3.3 58,-2.4 -2,-0.4 2,-0.6 -0.928 28.4-136.6-137.0 152.3 -12.0 30.3 1.6 8 7 A N E +F 64 0B 102 -2,-0.3 56,-0.2 56,-0.2 55,-0.1 -0.962 31.7 178.8-111.4 112.6 -11.3 28.8 -1.8 9 8 A L - 0 0 11 54,-3.2 3,-0.1 -2,-0.6 6,-0.0 -0.729 41.1 -84.8-105.0 159.7 -14.4 28.7 -3.9 10 9 A P > - 0 0 60 0, 0.0 3,-0.7 0, 0.0 53,-0.2 -0.366 61.5 -98.3 -57.6 141.5 -14.8 27.5 -7.5 11 10 A P T 3 S+ 0 0 72 0, 0.0 51,-0.2 0, 0.0 50,-0.1 -0.367 94.2 8.4 -66.8 145.4 -13.9 30.4 -9.9 12 11 A H T 3 S+ 0 0 123 49,-2.9 2,-0.3 1,-0.2 50,-0.1 0.787 93.3 125.7 59.3 41.1 -16.5 32.6 -11.4 13 12 A I < - 0 0 45 -3,-0.7 47,-2.7 48,-0.2 2,-0.3 -0.856 61.0-109.1-121.0 160.8 -19.6 31.4 -9.6 14 13 A K E +B 59 0A 143 -2,-0.3 101,-0.5 45,-0.2 2,-0.3 -0.638 38.9 177.7 -81.3 145.6 -22.3 33.1 -7.6 15 14 A F E -B 58 0A 0 43,-2.4 43,-2.6 -2,-0.3 2,-0.3 -0.975 23.0-122.1-143.9 159.3 -22.3 32.5 -3.9 16 15 A G E -BC 57 112A 1 96,-3.0 96,-2.0 -2,-0.3 2,-0.4 -0.806 14.9-167.1-104.4 144.9 -24.4 33.7 -0.8 17 16 A V E -BC 56 111A 0 39,-2.1 39,-3.0 -2,-0.3 2,-0.4 -0.995 10.3-179.7-129.4 119.9 -23.1 35.5 2.3 18 17 A T E -BC 55 110A 0 92,-2.7 92,-3.1 -2,-0.4 2,-0.4 -0.986 9.9-157.1-124.6 135.3 -25.5 35.8 5.3 19 18 A A E - C 0 109A 0 35,-1.4 34,-3.2 -2,-0.4 35,-0.5 -0.939 10.3-178.5-115.8 136.5 -24.6 37.5 8.6 20 19 A L E -BC 52 108A 5 88,-2.6 88,-1.7 -2,-0.4 2,-0.5 -0.967 13.5-160.9-132.7 113.2 -26.3 36.9 12.0 21 20 A T E +BC 51 107A 0 30,-2.3 30,-1.9 -2,-0.4 29,-1.3 -0.823 18.8 175.1-105.5 128.7 -25.0 39.1 14.8 22 21 A H + 0 0 35 84,-1.9 2,-0.3 -2,-0.5 85,-0.2 0.891 66.8 62.8 -91.7 -49.1 -25.5 38.2 18.4 23 22 A A S S- 0 0 10 83,-2.2 2,-1.8 26,-0.2 4,-0.3 -0.640 79.4-132.5 -85.1 136.0 -23.6 40.9 20.2 24 23 A A + 0 0 63 -2,-0.3 25,-0.1 1,-0.2 -1,-0.1 -0.450 63.9 126.2 -87.2 65.9 -24.7 44.5 19.8 25 24 A N S S- 0 0 50 -2,-1.8 47,-0.6 81,-0.2 -1,-0.2 0.156 76.5-116.3-109.6 16.9 -21.3 45.9 19.0 26 25 A D - 0 0 117 20,-0.3 19,-0.2 -3,-0.2 46,-0.2 0.902 47.3-166.3 50.7 52.7 -22.1 47.6 15.7 27 26 A Q - 0 0 2 -4,-0.3 2,-0.5 17,-0.1 44,-0.2 -0.286 18.8-141.6 -73.4 150.7 -19.8 45.4 13.7 28 27 A T E -G 70 0B 56 42,-2.7 42,-3.1 17,-0.1 2,-0.5 -0.967 14.9-164.8-108.1 127.5 -18.6 45.9 10.2 29 28 A I E -GH 69 43B 4 14,-2.0 14,-3.0 -2,-0.5 2,-0.4 -0.973 7.6-171.6-114.6 116.9 -18.4 42.8 8.1 30 29 A D E -GH 68 42B 23 38,-2.7 38,-2.8 -2,-0.5 2,-0.5 -0.889 10.5-156.1-110.7 138.9 -16.4 43.1 4.9 31 30 A I E -GH 67 41B 0 10,-2.8 9,-2.4 -2,-0.4 10,-1.5 -0.972 12.5-165.9-114.6 126.3 -16.1 40.5 2.2 32 31 A Y E -G 66 0B 54 34,-2.8 34,-2.5 -2,-0.5 2,-0.4 -0.925 6.8-152.4-117.2 139.7 -13.0 40.6 -0.1 33 32 A I E > -G 65 0B 22 -2,-0.4 3,-1.8 5,-0.4 32,-0.2 -0.928 57.9 -44.2-115.2 128.0 -12.5 38.8 -3.4 34 33 A D T 3 S- 0 0 46 30,-3.0 32,-0.0 -2,-0.4 27,-0.0 -0.239 113.8 -31.4 52.6-131.3 -9.1 37.8 -4.7 35 34 A D T 3 S+ 0 0 157 -3,-0.0 -1,-0.2 2,-0.0 -3,-0.0 0.219 92.2 132.8-109.1 16.9 -6.6 40.6 -4.3 36 35 A D < - 0 0 94 -3,-1.8 -3,-0.1 1,-0.1 4,-0.1 -0.472 49.1-148.8 -67.8 128.5 -8.9 43.6 -4.7 37 36 A P S S+ 0 0 121 0, 0.0 -1,-0.1 0, 0.0 -3,-0.0 0.745 77.7 70.7 -77.9 -16.8 -8.1 46.0 -1.8 38 37 A K S S- 0 0 57 -5,-0.1 -5,-0.4 1,-0.1 -2,-0.1 -0.749 96.0-102.6 -96.4 142.1 -11.7 47.4 -1.6 39 38 A P - 0 0 48 0, 0.0 -7,-0.3 0, 0.0 3,-0.1 -0.355 13.5-147.4 -62.5 141.0 -14.5 45.1 -0.2 40 39 A A S S+ 0 0 54 -9,-2.4 2,-0.3 1,-0.2 -8,-0.2 0.685 86.9 7.3 -74.2 -23.1 -16.8 43.4 -2.7 41 40 A A E -H 31 0B 12 -10,-1.5 -10,-2.8 15,-0.0 2,-0.4 -0.983 63.7-163.8-156.2 153.7 -19.5 43.7 0.0 42 41 A T E -H 30 0B 59 -2,-0.3 2,-0.6 -12,-0.2 -12,-0.2 -0.998 10.7-149.3-140.2 131.6 -20.0 45.2 3.4 43 42 A F E -H 29 0B 5 -14,-3.0 -14,-2.0 -2,-0.4 2,-0.1 -0.912 21.3-138.1 -93.3 126.7 -22.6 44.5 6.1 44 43 A K - 0 0 79 -2,-0.6 -17,-0.1 -16,-0.2 -16,-0.1 -0.350 44.5 -70.8 -68.4 162.7 -23.4 47.6 8.3 45 44 A G - 0 0 22 -19,-0.2 -1,-0.2 1,-0.1 -17,-0.1 -0.213 52.2 -97.6 -70.3 148.2 -23.8 46.9 11.9 46 45 A A - 0 0 11 -23,-0.2 -20,-0.3 1,-0.1 -1,-0.1 -0.218 20.1-154.8 -54.3 143.5 -26.6 45.0 13.6 47 46 A G S S+ 0 0 69 1,-0.1 2,-0.3 -3,-0.1 -1,-0.1 0.292 77.6 17.8 -99.9 6.9 -29.3 47.2 15.0 48 47 A A S > S- 0 0 43 -25,-0.1 3,-0.8 -27,-0.1 2,-0.2 -0.973 90.7 -83.3-167.5 159.9 -30.3 44.4 17.5 49 48 A Q T 3 S+ 0 0 117 -2,-0.3 -27,-0.2 1,-0.2 -26,-0.2 -0.546 111.2 12.9 -79.1 141.3 -29.1 41.2 19.2 50 49 A D T 3 S+ 0 0 42 -29,-1.3 2,-0.5 -2,-0.2 -1,-0.2 0.876 93.0 163.5 56.6 43.0 -29.5 37.9 17.2 51 50 A Q E < -B 21 0A 69 -30,-1.9 -30,-2.3 -3,-0.8 2,-0.6 -0.788 39.6-137.8 -96.1 130.1 -30.3 40.0 14.2 52 51 A N E -B 20 0A 31 -2,-0.5 -32,-0.2 -32,-0.2 3,-0.1 -0.755 13.5-164.0 -78.8 119.6 -30.2 38.5 10.7 53 52 A L E - 0 0 41 -34,-3.2 -33,-0.1 -2,-0.6 -9,-0.1 0.398 41.8-109.6 -90.7 3.7 -28.5 41.2 8.5 54 53 A G E - 0 0 22 -35,-0.5 -35,-1.4 -11,-0.1 2,-0.4 -0.395 33.0 -72.6 98.2-175.2 -29.6 39.7 5.3 55 54 A T E -B 18 0A 51 -37,-0.2 2,-0.4 -2,-0.1 -37,-0.2 -0.965 32.3-159.8-125.6 134.7 -27.9 37.8 2.4 56 55 A K E -B 17 0A 74 -39,-3.0 -39,-2.1 -2,-0.4 2,-0.5 -0.920 11.0-143.8-111.6 144.2 -25.7 39.2 -0.3 57 56 A V E +B 16 0A 90 -2,-0.4 2,-0.3 -41,-0.2 -41,-0.2 -0.942 29.0 170.7-109.3 125.8 -25.0 37.5 -3.6 58 57 A L E -B 15 0A 24 -43,-2.6 -43,-2.4 -2,-0.5 2,-0.4 -0.858 34.8-114.6-130.5 162.3 -21.5 37.8 -5.0 59 58 A D E -B 14 0A 81 -2,-0.3 -45,-0.2 -45,-0.2 4,-0.1 -0.803 20.2-141.4 -96.3 137.8 -19.2 36.4 -7.7 60 59 A S > - 0 0 0 -47,-2.7 3,-2.6 -2,-0.4 -26,-0.2 0.521 26.5-166.3 -75.8 -6.4 -16.2 34.4 -6.5 61 60 A G T 3 S- 0 0 11 1,-0.3 -49,-2.9 -48,-0.2 -1,-0.2 -0.281 74.3 -9.5 54.7-128.6 -13.8 35.8 -9.1 62 61 A N T 3 S- 0 0 115 -51,-0.2 -1,-0.3 2,-0.1 -2,-0.1 0.460 112.7 -95.5 -79.4 -0.4 -10.7 33.6 -9.2 63 62 A G S < S+ 0 0 2 -3,-2.6 -54,-3.2 1,-0.3 2,-0.6 0.207 84.3 123.3 117.5 -13.6 -12.0 31.9 -6.1 64 63 A R E +F 8 0B 109 -56,-0.2 -30,-3.0 -4,-0.1 2,-0.4 -0.716 32.6 176.8 -91.6 119.7 -10.4 33.5 -3.1 65 64 A V E -FG 7 33B 0 -58,-2.4 -58,-3.3 -2,-0.6 2,-0.4 -0.989 5.7-175.1-126.1 129.2 -12.9 34.9 -0.6 66 65 A R E -FG 6 32B 114 -34,-2.5 -34,-2.8 -2,-0.4 2,-0.5 -0.995 10.3-157.1-127.9 131.0 -12.0 36.5 2.7 67 66 A V E - G 0 31B 0 -62,-2.7 2,-0.4 -2,-0.4 -36,-0.2 -0.903 10.9-172.2-104.6 130.0 -14.4 37.6 5.5 68 67 A I E - G 0 30B 26 -38,-2.8 -38,-2.7 -2,-0.5 2,-0.5 -0.987 5.9-161.4-122.6 128.7 -13.2 40.3 7.9 69 68 A V E - G 0 29B 2 -2,-0.4 7,-2.7 7,-0.4 2,-0.4 -0.952 7.6-172.4-110.0 127.4 -15.1 41.3 11.0 70 69 A M E +IG 75 28B 61 -42,-3.1 -42,-2.7 -2,-0.5 2,-0.3 -0.943 7.5 171.9-116.0 136.7 -14.3 44.7 12.7 71 70 A A E > S-I 74 0B 5 3,-2.7 3,-2.0 -2,-0.4 -45,-0.1 -0.984 72.0 -4.3-141.7 133.6 -15.8 45.8 16.0 72 71 A N T 3 S- 0 0 124 -47,-0.6 -45,-0.1 -2,-0.3 -46,-0.1 0.852 128.9 -59.2 53.6 32.1 -14.8 48.9 18.1 73 72 A G T 3 S+ 0 0 67 1,-0.2 -1,-0.3 0, 0.0 -3,-0.0 0.561 119.3 96.8 74.0 10.6 -12.0 49.6 15.5 74 73 A R E < S-I 71 0B 192 -3,-2.0 -3,-2.7 24,-0.1 2,-0.3 -0.958 82.1-103.5-124.4 149.8 -10.3 46.2 16.0 75 74 A P E -I 70 0B 92 0, 0.0 -5,-0.3 0, 0.0 2,-0.2 -0.518 36.9-127.5 -65.8 133.1 -10.5 43.0 14.1 76 75 A S - 0 0 12 -7,-2.7 -7,-0.4 -2,-0.3 22,-0.2 -0.590 28.7-106.0 -78.4 143.7 -12.6 40.5 15.9 77 76 A R E - 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