==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=10-MAR-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER SUGAR BINDING PROTEIN 13-AUG-09 2WQ4 . COMPND 2 MOLECULE: LECTIN; . SOURCE 2 ORGANISM_SCIENTIFIC: BURKHOLDERIA CENOCEPACIA; . AUTHOR O.SULAK,G.CIOCI,M.LAHMAN,M.DELIA,A.VARROT,A.IMBERTY, . 395 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14513.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 246 62.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 2 0.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 166 42.0 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 . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 3 0.8 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 . 30 7.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 15 3.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 7 1.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 0.8 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 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 RESIDUES PER ALPHA HELIX . 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 0 0 0 0 PARALLEL BRIDGES PER LADDER . 3 0 3 2 1 3 4 7 1 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 3 5 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 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 P 0 0 44 0, 0.0 126,-2.3 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 149.4 2.7 -8.0 24.9 2 2 A L E -Ab 126 396A 8 393,-2.5 395,-0.5 124,-0.2 2,-0.4 -0.938 360.0-163.3-112.8 139.3 3.7 -8.1 21.2 3 3 A L E +A 125 0A 14 122,-2.8 122,-2.5 -2,-0.4 2,-0.3 -0.925 12.6 175.2-120.1 144.9 1.3 -7.7 18.3 4 4 A S E +A 124 0A 55 -2,-0.4 2,-0.3 120,-0.2 120,-0.2 -0.994 16.2 178.2-150.7 142.6 2.0 -8.6 14.7 5 5 A A E +A 123 0A 15 118,-2.2 118,-2.6 -2,-0.3 2,-0.3 -0.984 15.2 177.9-134.1 143.5 0.3 -8.8 11.3 6 6 A S E -A 122 0A 70 -2,-0.3 2,-0.3 116,-0.2 116,-0.2 -0.991 9.3-174.1-145.4 154.1 2.0 -9.8 8.1 7 7 A I E -A 121 0A 20 114,-2.4 114,-2.0 -2,-0.3 3,-0.1 -0.884 20.2-153.4-134.5 164.9 1.2 -10.3 4.4 8 8 A V S S+ 0 0 99 1,-0.3 2,-0.3 -2,-0.3 112,-0.2 0.304 79.5 8.1-123.1 7.4 3.0 -11.6 1.4 9 9 A S - 0 0 76 13,-0.2 -1,-0.3 109,-0.1 109,-0.2 -0.949 53.6-165.4-171.0 161.8 1.1 -9.8 -1.3 10 10 A A - 0 0 12 107,-2.0 107,-0.5 -2,-0.3 3,-0.1 -0.976 38.3 -93.1-146.7 151.9 -1.5 -7.1 -2.0 11 11 A P - 0 0 88 0, 0.0 2,-0.4 0, 0.0 104,-0.1 -0.340 47.4-102.7 -60.9 148.2 -3.6 -6.2 -5.0 12 12 A V + 0 0 84 104,-0.1 2,-0.3 102,-0.1 104,-0.2 -0.616 53.9 173.2 -74.8 124.8 -2.1 -3.5 -7.2 13 13 A V B -E 115 0B 49 102,-1.0 102,-2.6 -2,-0.4 2,-0.4 -0.948 30.1-153.6-135.0 151.8 -4.0 -0.3 -6.5 14 14 A T + 0 0 90 -2,-0.3 2,-0.3 100,-0.2 100,-0.2 -0.999 28.3 164.3-121.9 129.3 -3.8 3.4 -7.4 15 15 A S - 0 0 28 98,-0.5 94,-2.9 -2,-0.4 4,-0.1 -0.954 35.8-156.5-154.6 126.7 -5.4 5.8 -4.9 16 16 A E S S+ 0 0 172 -2,-0.3 2,-0.3 92,-0.2 -1,-0.1 0.813 87.0 41.9 -69.7 -34.6 -5.1 9.5 -4.3 17 17 A T S S- 0 0 96 1,-0.1 92,-0.2 90,-0.1 90,-0.1 -0.765 106.8 -72.1-113.0 163.8 -6.1 9.2 -0.7 18 18 A Y + 0 0 44 -2,-0.3 2,-0.3 90,-0.1 90,-0.2 -0.246 49.8 177.6 -58.9 132.6 -5.0 6.7 2.0 19 19 A V E -G 107 0C 60 88,-2.3 88,-2.5 -4,-0.1 -4,-0.0 -0.973 35.7 -94.8-131.6 147.0 -6.4 3.2 1.7 20 20 A D E -G 106 0C 58 -2,-0.3 86,-0.3 86,-0.2 5,-0.1 -0.260 26.8-127.0 -59.1 142.6 -5.7 0.2 3.9 21 21 A I E > - 0 0 1 84,-2.7 3,-2.2 3,-0.3 84,-0.3 -0.853 44.6-110.7 -82.9 113.8 -3.0 -2.2 2.9 22 22 A P E 3 S+ 0 0 67 0, 0.0 -13,-0.2 0, 0.0 3,-0.0 -0.260 96.6 14.0 -57.6 135.0 -5.1 -5.4 3.2 23 23 A G E 3 S+ 0 0 38 1,-0.1 2,-1.4 -16,-0.1 -17,-0.1 0.148 95.1 109.1 91.6 -17.8 -4.0 -7.6 6.1 24 24 A L E < + 0 0 2 -3,-2.2 81,-2.5 81,-0.2 2,-0.3 -0.629 49.1 109.8 -96.7 81.0 -1.9 -5.0 7.8 25 25 A Y E -G 104 0C 135 -2,-1.4 2,-0.4 79,-0.2 79,-0.2 -0.988 51.3-150.2-147.2 149.7 -4.0 -4.2 10.9 26 26 A L E -G 103 0C 7 77,-3.0 77,-2.0 -2,-0.3 2,-1.4 -0.996 14.0-145.1-121.2 122.2 -3.8 -4.8 14.6 27 27 A D > + 0 0 76 -2,-0.4 4,-1.5 75,-0.2 75,-0.2 -0.705 24.3 174.8 -90.1 89.5 -7.0 -5.1 16.5 28 28 A V H >>S+ 0 0 0 -2,-1.4 5,-1.7 73,-0.5 4,-0.6 0.883 75.3 56.0 -67.4 -38.5 -5.9 -3.4 19.8 29 29 A A H >45S+ 0 0 56 72,-2.2 3,-1.2 1,-0.2 -1,-0.2 0.918 108.3 46.9 -58.1 -48.8 -9.4 -3.6 21.3 30 30 A K H 345S+ 0 0 177 71,-0.3 -1,-0.2 1,-0.3 -2,-0.2 0.795 105.0 61.0 -66.2 -28.7 -9.6 -7.4 20.8 31 31 A A H 3<5S- 0 0 21 -4,-1.5 -1,-0.3 2,-0.1 -2,-0.2 0.637 112.8-121.5 -70.4 -15.9 -6.1 -7.8 22.2 32 32 A G T <<5 + 0 0 64 -3,-1.2 2,-0.6 -4,-0.6 -3,-0.2 0.788 62.5 143.8 76.3 32.9 -7.4 -6.3 25.5 33 33 A I < + 0 0 14 -5,-1.7 -1,-0.3 1,-0.1 -2,-0.1 -0.917 7.2 152.2-104.7 118.8 -5.0 -3.3 25.6 34 34 A R + 0 0 105 -2,-0.6 2,-0.3 1,-0.1 -1,-0.1 0.332 59.7 33.0-130.6 6.1 -6.6 -0.1 26.9 35 35 A D S S+ 0 0 114 2,-0.1 2,-0.2 63,-0.1 -1,-0.1 -0.944 87.1 38.4-151.6 172.7 -3.8 1.8 28.5 36 36 A G S S- 0 0 10 -2,-0.3 60,-1.6 91,-0.1 61,-1.0 -0.492 84.3 -63.1 83.3-153.5 -0.0 2.5 28.1 37 37 A K E -CD 95 128A 71 91,-3.1 91,-2.3 58,-0.2 2,-0.4 -0.895 29.5-146.0-131.1 155.4 1.7 2.9 24.8 38 38 A L E -CD 94 127A 0 56,-2.4 56,-2.7 -2,-0.3 2,-0.7 -0.998 9.3-148.6-118.9 129.4 2.5 0.9 21.6 39 39 A Q E -CD 93 126A 2 87,-2.6 87,-2.1 -2,-0.4 2,-0.4 -0.889 28.9-161.8 -86.4 117.5 5.7 1.4 19.6 40 40 A V E -CD 92 125A 0 52,-3.5 52,-2.3 -2,-0.7 2,-0.5 -0.876 13.4-169.3-109.2 134.2 4.4 0.6 16.1 41 41 A I E -CD 91 124A 2 83,-2.5 83,-2.5 -2,-0.4 2,-0.6 -0.989 6.8-163.7-123.0 124.5 6.6 -0.4 13.1 42 42 A L E -CD 90 123A 0 48,-2.9 48,-2.3 -2,-0.5 2,-0.5 -0.941 15.7-171.8-100.5 120.0 5.2 -0.5 9.5 43 43 A N E +CD 89 122A 0 79,-2.9 79,-2.7 -2,-0.6 46,-0.2 -0.961 20.4 165.0-122.2 111.5 7.7 -2.5 7.5 44 44 A V E +C 88 0A 1 44,-3.3 44,-2.3 -2,-0.5 77,-0.2 -0.838 10.4 171.8-123.1 86.3 7.4 -2.7 3.7 45 45 A P + 0 0 0 0, 0.0 -1,-0.1 0, 0.0 293,-0.1 0.717 68.7 31.6 -78.6 -19.3 10.8 -4.0 2.7 46 46 A T S S+ 0 0 7 74,-0.4 72,-0.4 73,-0.1 2,-0.1 -0.182 77.3 140.0-136.3 46.5 10.2 -4.7 -1.0 47 47 A P - 0 0 0 0, 0.0 39,-2.0 0, 0.0 2,-0.3 -0.395 24.7-170.0 -82.4 164.0 7.7 -2.3 -2.6 48 48 A Y E -F 116 0B 50 68,-1.7 68,-2.1 37,-0.2 2,-0.4 -0.976 9.4-146.7-144.9 159.3 7.8 -0.7 -6.0 49 49 A A E -F 115 0B 0 -2,-0.3 2,-0.4 35,-0.3 66,-0.2 -0.945 5.0-159.8-120.6 146.2 5.8 2.0 -7.8 50 50 A T E +F 114 0B 48 64,-2.0 64,-2.6 -2,-0.4 2,-0.3 -0.956 34.7 114.3-122.6 144.2 4.8 2.3 -11.4 51 51 A G - 0 0 36 -2,-0.4 3,-0.2 62,-0.2 61,-0.1 -0.980 64.6 -94.2 176.1-172.5 3.8 5.6 -13.0 52 52 A N S S+ 0 0 119 59,-0.4 2,-0.2 -2,-0.3 60,-0.1 0.450 101.9 38.6-109.0 -4.8 4.5 8.4 -15.5 53 53 A N S S- 0 0 57 58,-0.3 -1,-0.2 57,-0.2 26,-0.2 -0.606 128.5 -44.3-158.5 85.1 6.3 11.1 -13.5 54 54 A F S S- 0 0 29 24,-2.3 24,-0.2 23,-0.2 25,-0.1 0.984 79.1-142.0 51.2 72.6 8.8 10.1 -10.8 55 55 A P + 0 0 1 0, 0.0 20,-2.5 0, 0.0 2,-0.3 -0.065 34.9 141.3 -66.5 161.8 6.7 7.3 -9.2 56 56 A G E -HI 74 110C 0 54,-0.6 54,-1.9 18,-0.2 2,-0.4 -0.974 37.1-116.4-179.2 179.1 6.5 6.5 -5.6 57 57 A I E -HI 73 109C 0 16,-1.5 16,-1.8 -2,-0.3 2,-0.4 -1.000 11.8-145.9-138.1 135.4 4.3 5.4 -2.7 58 58 A Y E -HI 72 108C 82 50,-3.0 50,-1.8 -2,-0.4 2,-0.4 -0.820 18.0-165.3 -92.6 141.5 3.2 7.1 0.6 59 59 A F E -HI 71 107C 0 12,-2.7 12,-1.9 -2,-0.4 2,-0.3 -0.975 6.3-174.3-126.0 143.9 2.8 4.9 3.6 60 60 A A E -HI 70 106C 0 46,-2.5 46,-2.4 -2,-0.4 2,-0.5 -0.953 25.0-139.5-136.3 151.0 1.0 5.7 6.8 61 61 A I E +HI 69 105C 0 8,-2.3 7,-2.8 -2,-0.3 8,-1.4 -0.968 37.0 177.6-101.7 127.1 0.3 4.4 10.3 62 62 A A E -HI 67 104C 4 42,-2.4 42,-2.9 -2,-0.5 5,-0.3 -0.942 17.4-168.4-129.1 154.2 -3.3 5.2 11.3 63 63 A T E > -HI 66 103C 9 3,-2.7 3,-1.5 -2,-0.3 40,-0.2 -0.667 52.1 -83.4-120.3-174.6 -5.7 4.5 14.2 64 64 A N T 3 S+ 0 0 66 38,-0.7 3,-0.1 1,-0.3 39,-0.1 0.685 131.0 56.6 -61.8 -18.7 -9.4 5.0 14.6 65 65 A Q T 3 S- 0 0 108 1,-0.3 -1,-0.3 0, 0.0 2,-0.3 0.515 120.7 -93.6 -89.6 -11.0 -8.5 8.6 15.4 66 66 A G E < -H 63 0C 32 -3,-1.5 -3,-2.7 0, 0.0 2,-0.3 -0.812 65.3 -19.4 129.3-173.8 -6.7 9.2 12.2 67 67 A V E -H 62 0C 72 -2,-0.3 -5,-0.3 -5,-0.3 3,-0.1 -0.587 45.6-178.5 -73.4 130.5 -3.2 9.2 10.6 68 68 A V E - 0 0 61 -7,-2.8 2,-0.3 1,-0.4 -6,-0.2 0.803 65.8 -5.5 -97.7 -36.2 -0.4 9.3 13.2 69 69 A A E +H 61 0C 4 -8,-1.4 -8,-2.3 23,-0.1 -1,-0.4 -0.979 63.0 177.2-158.7 151.0 2.7 9.3 10.9 70 70 A D E +H 60 0C 46 -2,-0.3 2,-0.3 -10,-0.2 185,-0.2 -0.961 5.8 161.6-154.9 166.5 3.5 9.0 7.2 71 71 A G E -H 59 0C 2 -12,-1.9 -12,-2.7 -2,-0.3 2,-0.3 -0.947 16.5-145.2-167.3-177.9 6.3 9.1 4.7 72 72 A C E -H 58 0C 9 -2,-0.3 2,-0.4 -14,-0.3 -14,-0.2 -0.985 10.2-137.2-153.0 162.1 7.2 8.0 1.2 73 73 A F E -H 57 0C 0 -16,-1.8 -16,-1.5 -2,-0.3 2,-0.3 -0.942 24.8-177.3-112.4 152.5 9.8 6.8 -1.2 74 74 A T E -H 56 0C 9 146,-1.7 -18,-0.2 -2,-0.4 2,-0.1 -0.987 25.3-113.6-142.5 148.8 10.1 8.2 -4.7 75 75 A Y - 0 0 5 -20,-2.5 145,-0.2 -2,-0.3 8,-0.0 -0.396 15.9-134.8 -73.9 162.7 12.4 7.4 -7.7 76 76 A S S S+ 0 0 25 143,-0.1 141,-1.7 -2,-0.1 140,-0.6 0.262 84.0 66.1-104.6 5.9 15.0 9.8 -8.9 77 77 A S S S- 0 0 43 139,-0.2 -23,-0.2 1,-0.1 -2,-0.1 -0.971 81.6-126.8-126.0 149.5 14.2 9.4 -12.7 78 78 A K S S+ 0 0 101 -2,-0.4 -24,-2.3 1,-0.3 -1,-0.1 0.919 107.2 10.0 -60.5 -48.1 11.0 10.5 -14.4 79 79 A V S S- 0 0 96 -26,-0.2 -1,-0.3 -25,-0.1 -27,-0.1 -0.873 91.6-141.3-131.7 95.4 10.5 7.1 -15.9 80 80 A P - 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