==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=31-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER SUGAR BINDING PROTEIN 04-JUL-08 2VXJ . COMPND 2 MOLECULE: PA-I GALACTOPHILIC LECTIN; . SOURCE 2 ORGANISM_SCIENTIFIC: PSEUDOMONAS AERUGINOSA; . AUTHOR B.BLANCHARD,A.NURISSO,E.HOLLVILLE,C.TETAUD,J.WIELS,M.POKORNA . 2896 29 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 109648.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 1763 60.9 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 . 1039 35.9 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 . 0 0.0 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-2), SAME NUMBER PER 100 RESIDUES . 2 0.1 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 . 298 10.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 285 9.8 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+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 . 34 38 22 26 24 24 0 0 0 23 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 14 0 24 24 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 A 0 0 67 0, 0.0 2,-0.4 0, 0.0 116,-0.2 0.000 360.0 360.0 360.0 139.8 45.5 -10.8 104.9 2 2 A W E -A 116 0A 39 114,-2.4 114,-2.4 2,-0.0 2,-0.4 -0.921 360.0-176.2-122.7 142.1 41.7 -10.6 105.4 3 3 A K E +A 115 0A 146 -2,-0.4 2,-0.3 112,-0.2 112,-0.2 -0.997 27.7 122.6-134.2 135.3 39.6 -9.7 108.5 4 4 A G E -A 114 0A 18 110,-1.8 110,-2.9 -2,-0.4 2,-0.3 -0.981 52.2 -83.7-172.8-178.4 35.8 -9.8 108.5 5 5 A E E -A 113 0A 84 -2,-0.3 2,-0.6 108,-0.2 108,-0.2 -0.751 22.2-155.0-106.7 142.8 32.5 -11.1 109.9 6 6 A V E -A 112 0A 0 106,-2.6 106,-1.9 -2,-0.3 2,-0.2 -0.941 18.1-144.1-121.1 108.4 30.8 -14.3 109.1 7 7 A L E > -A 111 0A 84 -2,-0.6 3,-1.4 104,-0.2 91,-0.4 -0.531 9.0-138.6 -77.9 135.6 27.0 -14.1 109.8 8 8 A A T 3 S+ 0 0 0 102,-2.3 103,-0.1 1,-0.3 -1,-0.1 0.790 104.0 51.9 -62.4 -30.1 25.4 -17.3 111.1 9 9 A N T 3 S+ 0 0 84 101,-0.4 2,-1.3 99,-0.2 -1,-0.3 0.338 80.2 107.7 -91.4 5.5 22.3 -16.8 108.8 10 10 A N X + 0 0 48 -3,-1.4 3,-1.0 1,-0.2 88,-0.4 -0.658 43.9 178.4 -87.0 93.8 24.5 -16.3 105.7 11 11 A E T 3 S+ 0 0 93 -2,-1.3 -1,-0.2 1,-0.3 89,-0.1 0.849 79.8 51.7 -68.2 -38.3 23.8 -19.6 103.8 12 12 A A T 3 S- 0 0 89 1,-0.1 -1,-0.3 85,-0.0 -2,-0.1 0.648 110.6-134.6 -70.8 -16.0 25.9 -18.8 100.8 13 13 A G < - 0 0 11 -3,-1.0 2,-0.7 -6,-0.1 84,-0.2 0.017 24.0 -67.0 82.2 170.1 28.8 -18.0 103.2 14 14 A Q E -E 96 0B 67 82,-3.2 82,-2.3 -4,-0.1 2,-0.2 -0.849 43.2-142.9-101.5 109.7 31.2 -15.0 103.3 15 15 A V E -E 95 0B 79 -2,-0.7 80,-0.2 80,-0.2 2,-0.2 -0.474 19.3-156.5 -69.8 139.0 33.7 -14.8 100.5 16 16 A T E - 0 0 10 78,-2.6 78,-0.1 2,-0.2 -1,-0.0 -0.624 27.8-115.9-108.9 171.6 37.2 -13.6 101.6 17 17 A S E S+ 0 0 86 -2,-0.2 2,-0.6 76,-0.1 78,-0.1 0.355 82.4 109.9 -88.3 2.0 39.9 -11.9 99.6 18 18 A I E - 0 0 6 76,-0.3 76,-2.8 2,-0.0 2,-0.6 -0.719 49.2-167.8 -83.6 119.4 42.2 -14.9 100.3 19 19 A I E -E 93 0B 88 -2,-0.6 2,-0.6 74,-0.2 74,-0.3 -0.961 17.4-141.8-101.6 113.3 42.9 -17.1 97.3 20 20 A Y E -E 92 0B 3 72,-2.6 72,-2.6 -2,-0.6 3,-0.0 -0.651 23.5-171.1 -75.5 119.3 44.6 -20.3 98.5 21 21 A N > - 0 0 25 -2,-0.6 3,-2.6 70,-0.2 70,-0.1 -0.798 37.5 -75.6-111.9 150.9 47.3 -21.2 95.9 22 22 A P T 3 S+ 0 0 80 0, 0.0 360,-0.2 0, 0.0 -1,-0.1 -0.164 119.5 17.5 -46.7 132.2 49.3 -24.4 95.8 23 23 A G T 3 S+ 0 0 50 1,-0.3 65,-0.0 63,-0.2 -3,-0.0 0.251 89.4 143.5 87.5 -14.2 52.0 -24.5 98.5 24 24 A D < - 0 0 3 -3,-2.6 62,-0.4 97,-0.1 2,-0.4 -0.297 38.6-153.5 -58.0 146.1 50.4 -21.7 100.6 25 25 A V - 0 0 24 94,-0.5 94,-3.2 60,-0.1 2,-0.3 -0.986 21.8-176.5-115.0 130.9 50.6 -22.0 104.4 26 26 A I E -BC 84 118A 0 58,-2.3 58,-3.4 -2,-0.4 2,-0.4 -0.923 19.1-157.7-133.8 151.4 47.7 -20.1 106.2 27 27 A T E - C 0 117A 1 90,-2.0 90,-2.0 -2,-0.3 2,-0.4 -0.995 11.4-172.9-128.0 136.3 46.6 -19.4 109.7 28 28 A I E -BC 81 116A 0 53,-2.3 53,-1.2 -2,-0.4 2,-0.4 -0.993 7.6-170.2-128.0 139.2 43.0 -18.5 110.7 29 29 A V E -BC 80 115A 9 86,-2.1 86,-2.8 -2,-0.4 2,-0.4 -0.999 10.2-171.0-127.4 125.8 41.7 -17.4 114.1 30 30 A A E + C 0 114A 0 49,-2.5 2,-0.3 -2,-0.4 84,-0.2 -0.922 7.5 174.7-118.1 140.7 37.9 -17.2 114.6 31 31 A A E + C 0 113A 36 82,-2.3 82,-2.6 -2,-0.4 2,-0.2 -0.973 24.5 53.2-142.9 152.6 36.1 -15.7 117.5 32 32 A G E - C 0 112A 18 -2,-0.3 2,-0.4 80,-0.2 80,-0.2 -0.645 65.4 -65.7 125.2-168.6 32.6 -14.9 118.8 33 33 A W E + C 0 111A 66 78,-0.7 78,-1.5 -2,-0.2 2,-0.3 -0.987 43.1 155.4-134.3 131.9 29.1 -16.2 119.4 34 34 A A E -DC 42 110A 0 8,-2.4 8,-3.5 -2,-0.4 2,-0.3 -0.912 22.2-146.5-145.3 165.3 26.4 -17.5 117.2 35 35 A S E - C 0 109A 0 74,-2.7 74,-2.2 -2,-0.3 6,-0.1 -0.997 14.0-153.8-141.7 148.9 23.3 -19.7 117.2 36 36 A Y S S- 0 0 23 -2,-0.3 71,-0.2 72,-0.2 72,-0.2 0.229 89.1 -43.6-101.3 6.3 21.7 -22.0 114.6 37 37 A G S S+ 0 0 31 1,-0.4 -2,-0.1 3,-0.3 4,-0.0 -0.193 107.6 95.6 165.5 -56.8 18.3 -21.6 116.2 38 38 A P S S- 0 0 51 0, 0.0 -1,-0.4 0, 0.0 0, 0.0 0.050 76.8-114.9 -60.6 168.2 18.2 -21.7 120.1 39 39 A T S S+ 0 0 145 2,-0.1 2,-0.0 -4,-0.0 -4,-0.0 0.795 97.4 83.9 -75.4 -26.0 18.3 -18.8 122.5 40 40 A Q S S- 0 0 71 1,-0.0 2,-0.3 0, 0.0 -3,-0.3 -0.273 73.9-141.9 -62.9 158.4 21.7 -20.2 123.7 41 41 A K - 0 0 53 -6,-0.1 2,-0.3 -5,-0.1 -6,-0.2 -0.928 10.6-158.4-127.5 152.8 24.9 -19.3 121.7 42 42 A W B -D 34 0A 27 -8,-3.5 -8,-2.4 -2,-0.3 5,-0.1 -0.886 15.8-120.4-126.2 154.3 28.0 -21.2 120.8 43 43 A G > - 0 0 15 3,-0.3 3,-2.1 -2,-0.3 -10,-0.1 -0.085 55.0 -71.4 -77.7-176.2 31.6 -20.4 119.7 44 44 A P T 3 S+ 0 0 2 0, 0.0 21,-2.5 0, 0.0 34,-0.2 0.548 127.9 64.3 -60.0 -14.4 33.3 -21.4 116.5 45 45 A Q B 3 S-H 64 0C 17 1,-0.3 16,-0.5 19,-0.2 19,-0.4 0.499 99.1-146.4 -84.9 -6.9 33.5 -25.1 117.5 46 46 A G < - 0 0 3 -3,-2.1 2,-0.8 17,-0.7 -3,-0.3 -0.287 38.1 -32.5 75.9-163.4 29.7 -25.3 117.5 47 47 A D > - 0 0 15 15,-3.4 3,-1.4 1,-0.1 15,-0.5 -0.847 47.4-166.2-102.9 103.1 27.4 -27.4 119.7 48 48 A R T 3 S+ 0 0 88 -2,-0.8 -1,-0.1 1,-0.2 15,-0.0 0.566 84.9 55.6 -67.5 -9.2 29.0 -30.7 120.6 49 49 A E T 3 S+ 0 0 127 13,-0.1 -1,-0.2 2,-0.1 -2,-0.0 0.464 85.5 96.9-100.9 -1.2 25.7 -32.2 121.9 50 50 A H S < S- 0 0 55 -3,-1.4 12,-0.4 12,-0.1 -3,-0.1 -0.742 70.2-124.6-103.7 132.7 23.6 -31.7 118.7 51 51 A P - 0 0 78 0, 0.0 2,-0.7 0, 0.0 -2,-0.1 -0.274 28.7-102.1 -73.9 161.1 23.0 -34.5 116.1 52 52 A D + 0 0 71 1,-0.1 6,-0.0 6,-0.1 9,-0.0 -0.744 37.7 174.4 -84.9 111.7 23.8 -34.1 112.4 53 53 A Q S S- 0 0 141 -2,-0.7 -1,-0.1 -3,-0.0 47,-0.0 -0.106 79.8 -51.5-106.3 32.4 20.5 -33.5 110.6 54 54 A G S S- 0 0 33 47,-0.1 46,-0.1 1,-0.1 4,-0.1 0.792 76.5-174.0 101.9 44.9 22.2 -32.9 107.1 55 55 A L - 0 0 8 46,-0.2 46,-0.2 1,-0.1 3,-0.2 -0.264 35.9-121.6 -64.7 151.3 24.9 -30.3 107.9 56 56 A I S S+ 0 0 48 44,-1.8 2,-0.5 1,-0.3 18,-0.4 0.772 109.9 41.3 -63.6 -24.6 27.0 -28.8 105.0 57 57 A C > - 0 0 0 43,-0.1 3,-0.9 3,-0.1 -1,-0.3 -0.918 61.5-179.3-130.7 107.2 30.0 -30.2 107.0 58 58 A H T 3 S+ 0 0 131 -2,-0.5 -1,-0.1 1,-0.2 4,-0.1 0.513 82.7 65.9 -76.0 -11.6 29.6 -33.6 108.5 59 59 A D T 3 S+ 0 0 127 15,-0.1 2,-0.3 2,-0.1 -1,-0.2 0.222 102.8 48.5 -94.6 5.0 33.2 -33.3 110.0 60 60 A A S < S- 0 0 14 -3,-0.9 -3,-0.1 4,-0.1 2,-0.1 -0.947 90.6 -97.5-138.6 161.2 32.3 -30.4 112.3 61 61 A F > - 0 0 76 -16,-0.5 3,-1.8 -2,-0.3 38,-0.2 -0.387 49.0 -86.4 -72.2 157.8 29.5 -29.8 114.8 62 62 A C T 3 S+ 0 0 1 -15,-0.5 -15,-3.4 -12,-0.4 38,-0.2 -0.407 119.3 28.6 -56.4 129.8 26.4 -27.8 114.1 63 63 A G T 3 S+ 0 0 0 36,-3.0 -17,-0.7 1,-0.3 -1,-0.2 0.413 94.8 126.0 92.7 -3.2 27.2 -24.2 114.8 64 64 A A B < -H 45 0C 0 -3,-1.8 35,-2.9 -19,-0.4 2,-0.4 -0.462 65.4-106.3 -83.3 160.9 30.9 -24.5 113.9 65 65 A L E +F 98 0B 0 -21,-2.5 13,-2.9 33,-0.2 12,-2.4 -0.721 45.3 167.6 -86.7 128.5 32.9 -22.4 111.4 66 66 A V E -FG 97 76B 0 31,-2.9 31,-3.1 -2,-0.4 2,-0.3 -0.804 14.2-153.8-129.6 177.2 33.8 -24.2 108.2 67 67 A M E -FG 96 75B 0 8,-2.1 8,-2.7 -2,-0.3 2,-0.4 -0.978 12.4-143.9-149.7 162.3 35.1 -23.2 104.8 68 68 A K E -F 95 0B 87 27,-2.2 27,-2.4 -2,-0.3 2,-0.6 -0.967 12.4-152.6-122.4 137.7 35.4 -24.0 101.1 69 69 A I E > -F 94 0B 1 4,-0.4 3,-2.1 -2,-0.4 22,-0.4 -0.978 65.1 -56.6-109.0 113.7 38.5 -23.4 99.0 70 70 A G T 3 S- 0 0 37 23,-2.5 22,-0.2 -2,-0.6 25,-0.1 -0.345 125.2 -8.1 52.1-114.7 37.4 -22.9 95.4 71 71 A N T 3 S+ 0 0 180 20,-0.5 -1,-0.3 -2,-0.2 21,-0.1 0.189 105.9 125.3 -96.5 11.8 35.4 -25.9 94.3 72 72 A S < - 0 0 25 -3,-2.1 2,-0.1 19,-0.1 3,-0.1 -0.088 64.4-107.5 -72.3 163.9 36.2 -28.0 97.4 73 73 A G - 0 0 54 1,-0.2 -4,-0.4 -5,-0.1 -1,-0.1 -0.299 60.9 -67.3 -67.3 173.0 33.9 -29.7 99.8 74 74 A T - 0 0 30 -18,-0.4 -6,-0.2 -6,-0.1 -1,-0.2 -0.391 50.4-162.8 -68.7 140.8 33.5 -28.1 103.2 75 75 A I E -G 67 0B 29 -8,-2.7 -8,-2.1 -2,-0.1 2,-0.1 -0.994 24.7-109.6-126.4 133.5 36.6 -28.2 105.5 76 76 A P E +G 66 0B 36 0, 0.0 -10,-0.2 0, 0.0 -16,-0.0 -0.369 39.3 163.4 -64.8 137.1 36.4 -27.6 109.3 77 77 A V > + 0 0 2 -12,-2.4 3,-2.4 -33,-0.2 -11,-0.2 0.587 14.3 159.9-112.6 -45.9 37.9 -24.3 110.7 78 78 A N T 3 S- 0 0 44 -13,-2.9 -33,-0.2 1,-0.3 3,-0.1 -0.329 81.1 -8.3 54.6-128.7 36.4 -24.2 114.1 79 79 A T T 3 S- 0 0 3 1,-0.2 -49,-2.5 -50,-0.1 -1,-0.3 0.644 125.3 -82.8 -71.9 -18.6 38.5 -21.8 116.3 80 80 A G E < -B 29 0A 13 -3,-2.4 2,-0.4 -51,-0.2 -1,-0.2 -0.851 38.4 -84.0 146.4-172.6 41.1 -21.7 113.4 81 81 A L E -B 28 0A 21 -53,-1.2 -53,-2.3 -2,-0.3 2,-0.6 -0.992 27.2-141.6-132.8 131.2 44.0 -23.3 111.7 82 82 A F E S- 0 0 37 -2,-0.4 -55,-0.2 -55,-0.2 -56,-0.0 -0.893 78.1 -34.6-101.1 111.4 47.8 -22.9 112.6 83 83 A R E S- 0 0 57 -2,-0.6 2,-0.3 1,-0.2 -56,-0.2 0.907 91.8-176.3 42.2 60.0 50.1 -22.7 109.7 84 84 A W E -B 26 0A 56 -58,-3.4 -58,-2.3 -3,-0.2 2,-0.4 -0.646 21.7-157.0 -94.5 143.1 47.9 -25.1 107.7 85 85 A V - 0 0 85 -2,-0.3 -60,-0.1 -60,-0.2 -61,-0.0 -0.963 18.8-129.0-122.2 133.4 48.5 -26.5 104.2 86 86 A A - 0 0 11 -62,-0.4 -63,-0.2 -2,-0.4 3,-0.1 -0.292 32.7 -89.4 -76.8 157.4 45.6 -27.8 102.0 87 87 A P > - 0 0 85 0, 0.0 3,-1.6 0, 0.0 -1,-0.2 -0.266 61.7 -75.7 -54.5 155.1 45.4 -31.2 100.3 88 88 A N T 3 S+ 0 0 139 1,-0.2 3,-0.1 -66,-0.1 0, 0.0 -0.169 118.9 19.5 -46.7 146.4 46.9 -31.5 96.8 89 89 A N T 3 S+ 0 0 129 1,-0.2 2,-0.7 -3,-0.1 -1,-0.2 0.537 89.2 124.8 60.9 8.3 44.7 -29.9 94.1 90 90 A V < + 0 0 29 -3,-1.6 2,-0.3 -20,-0.1 -1,-0.2 -0.898 34.7 138.6 -93.8 120.3 42.7 -27.8 96.6 91 91 A Q + 0 0 107 -2,-0.7 -20,-0.5 -22,-0.4 2,-0.2 -0.989 17.4 65.8-157.4 154.7 42.9 -24.2 95.4 92 92 A G E S-E 20 0B 18 -72,-2.6 -72,-2.6 -2,-0.3 2,-0.0 -0.746 78.3 -12.0 129.4-173.3 40.8 -21.0 95.0 93 93 A A E -E 19 0B 39 -74,-0.3 -23,-2.5 -2,-0.2 2,-0.6 -0.343 62.4-124.6 -62.1 135.3 38.9 -18.3 96.9 94 94 A I E - F 0 69B 0 -76,-2.8 -78,-2.6 -25,-0.2 2,-0.5 -0.775 26.7-172.3 -82.9 119.3 38.3 -19.0 100.6 95 95 A T E -EF 15 68B 33 -27,-2.4 -27,-2.2 -2,-0.6 2,-0.5 -0.974 12.4-147.9-109.3 124.5 34.6 -18.8 101.5 96 96 A L E -EF 14 67B 0 -82,-2.3 -82,-3.2 -2,-0.5 2,-0.4 -0.824 19.5-172.6 -95.0 132.4 33.8 -19.0 105.2 97 97 A I E - 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