==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=4-OCT-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER SUGAR-BINDING PROTEIN 08-NOV-11 4A6S . COMPND 2 MOLECULE: PA-I GALACTOPHILIC LECTIN; . SOURCE 2 ORGANISM_SCIENTIFIC: PSEUDOMONAS AERUGINOSA; . AUTHOR J.RODRIGUE,G.GANNE,B.BLANCHARD,C.SAUCIER,D.GIGUERE,T.S.CHIAO . 484 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 19493.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 300 62.0 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 . 169 34.9 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 . 1 0.2 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 . 4 0.8 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 . 50 10.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 51 10.5 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 . 8 4 5 4 4 5 0 0 0 2 1 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 5 3 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 65 0, 0.0 2,-0.4 0, 0.0 116,-0.2 0.000 360.0 360.0 360.0 165.9 -8.0 12.8 41.3 2 2 A W E -A 116 0A 34 114,-2.8 114,-3.2 2,-0.0 2,-0.3 -0.993 360.0-177.7-136.0 136.8 -7.1 11.5 44.8 3 3 A K E +A 115 0A 142 -2,-0.4 2,-0.3 112,-0.2 112,-0.2 -0.990 25.5 122.0-129.0 141.9 -7.7 13.2 48.1 4 4 A G E -A 114 0A 22 110,-1.9 110,-2.9 -2,-0.3 2,-0.3 -0.983 54.2 -82.5-178.7 173.6 -6.6 11.7 51.5 5 5 A E E -A 113 0A 85 -2,-0.3 2,-0.6 108,-0.2 108,-0.2 -0.804 23.9-153.8 -97.1 145.4 -4.6 12.2 54.7 6 6 A V E -A 112 0A 1 106,-2.4 106,-2.1 -2,-0.3 2,-0.2 -0.971 21.8-140.6-115.6 111.9 -0.9 11.6 55.0 7 7 A L E > -A 111 0A 79 -2,-0.6 3,-1.5 104,-0.2 91,-0.4 -0.549 5.5-140.2 -83.1 138.5 -0.1 10.7 58.6 8 8 A A T 3 S+ 0 0 0 102,-2.5 -1,-0.1 1,-0.3 103,-0.1 0.792 103.4 52.1 -65.8 -30.1 3.0 12.1 60.1 9 9 A N T 3 S+ 0 0 82 101,-0.4 2,-1.2 99,-0.2 -1,-0.3 0.314 81.8 105.0 -89.5 11.1 3.8 8.8 62.0 10 10 A N X + 0 0 40 -3,-1.5 3,-1.1 1,-0.2 88,-0.5 -0.741 42.8 176.7 -95.7 89.0 3.5 6.7 58.7 11 11 A E T 3 S+ 0 0 87 -2,-1.2 -1,-0.2 1,-0.3 89,-0.1 0.861 78.6 57.0 -63.7 -36.5 7.1 6.0 58.0 12 12 A A T 3 S- 0 0 86 -3,-0.2 -1,-0.3 1,-0.1 -2,-0.1 0.621 108.8-130.6 -68.9 -13.9 6.0 3.8 55.0 13 13 A G < - 0 0 8 -3,-1.1 2,-0.6 -6,-0.2 84,-0.2 0.122 23.3 -74.4 80.8 159.9 4.1 6.8 53.4 14 14 A Q E -D 96 0B 63 82,-3.0 82,-3.2 -4,-0.1 2,-0.3 -0.849 41.0-141.5-100.6 115.2 0.6 6.9 52.1 15 15 A V E -D 95 0B 88 -2,-0.6 80,-0.2 80,-0.2 2,-0.2 -0.583 23.0-159.5 -73.4 134.9 0.1 5.2 48.7 16 16 A T E - 0 0 11 78,-2.1 -1,-0.0 -2,-0.3 -14,-0.0 -0.505 28.6-110.2-103.7 179.9 -2.3 7.3 46.5 17 17 A S E S+ 0 0 83 -2,-0.2 2,-0.3 99,-0.1 -2,-0.0 0.549 84.3 106.7 -75.0 -22.3 -4.4 6.4 43.3 18 18 A I E - 0 0 10 76,-0.2 76,-2.2 75,-0.0 2,-0.6 -0.528 48.7-171.1 -76.2 129.8 -2.2 8.5 41.1 19 19 A I E -D 93 0B 84 -2,-0.3 2,-0.5 74,-0.2 74,-0.3 -0.977 22.1-139.5-108.8 119.2 0.1 6.6 38.7 20 20 A Y E -D 92 0B 4 72,-2.6 72,-2.5 -2,-0.6 3,-0.0 -0.695 22.9-169.4 -80.9 127.7 2.3 9.2 37.2 21 21 A N > - 0 0 20 -2,-0.5 3,-2.4 70,-0.2 69,-0.1 -0.869 37.7 -79.4-114.0 149.6 2.8 8.4 33.5 22 22 A P T 3 S+ 0 0 81 0, 0.0 -1,-0.1 0, 0.0 69,-0.1 -0.115 119.7 19.2 -44.0 135.0 5.4 10.0 31.1 23 23 A G T 3 S+ 0 0 53 1,-0.3 -3,-0.0 63,-0.2 62,-0.0 0.375 88.9 144.9 81.8 -6.8 4.0 13.5 30.0 24 24 A D < - 0 0 3 -3,-2.4 2,-0.5 97,-0.1 62,-0.4 -0.298 39.3-151.2 -61.1 146.5 1.5 13.8 32.8 25 25 A V - 0 0 22 94,-0.5 94,-4.3 60,-0.1 2,-0.3 -0.991 24.2-173.6-114.5 122.2 0.9 17.3 34.2 26 26 A I E -BC 84 118A 0 58,-3.0 58,-3.3 -2,-0.5 2,-0.4 -0.865 20.1-157.2-122.0 152.9 -0.0 17.1 37.9 27 27 A T E - C 0 117A 2 90,-2.6 90,-2.1 -2,-0.3 2,-0.4 -0.989 10.6-176.4-124.7 128.6 -1.2 19.4 40.6 28 28 A I E -BC 81 116A 0 53,-2.1 53,-1.7 -2,-0.4 2,-0.4 -0.961 5.1-173.3-116.2 137.7 -0.9 18.8 44.3 29 29 A V E -BC 80 115A 9 86,-2.2 86,-2.9 -2,-0.4 2,-0.4 -1.000 8.1-169.2-126.6 130.6 -2.2 21.0 47.2 30 30 A A E + C 0 114A 0 49,-2.6 2,-0.3 -2,-0.4 84,-0.2 -0.985 8.5 174.2-123.3 129.4 -1.2 20.1 50.8 31 31 A A E + C 0 113A 36 82,-2.4 82,-2.1 -2,-0.4 2,-0.1 -0.855 27.7 44.1-129.0 161.4 -2.8 21.6 53.9 32 32 A G - 0 0 18 -2,-0.3 2,-0.4 80,-0.2 80,-0.1 -0.422 67.7 -62.9 109.8-170.5 -2.6 21.2 57.8 33 33 A W + 0 0 62 78,-0.4 78,-1.2 10,-0.1 2,-0.3 -0.957 41.3 155.6-130.8 135.7 -0.4 20.6 60.8 34 34 A A E -GH 42 110C 0 8,-2.2 8,-3.0 -2,-0.4 2,-0.4 -0.900 22.5-143.4-149.8 165.8 1.9 17.8 62.0 35 35 A S E - H 0 109C 0 74,-2.4 74,-2.2 -2,-0.3 6,-0.1 -0.997 17.7-145.9-139.4 137.4 4.9 17.4 64.2 36 36 A Y S S- 0 0 19 -2,-0.4 71,-0.2 72,-0.2 72,-0.1 0.170 85.8 -60.4 -77.6 16.9 8.0 15.3 64.1 37 37 A G S S+ 0 0 27 1,-0.5 -2,-0.0 3,-0.2 68,-0.0 -0.321 105.4 103.9 140.7 -58.7 7.8 15.0 67.9 38 38 A P S S- 0 0 58 0, 0.0 -1,-0.5 0, 0.0 0, 0.0 0.008 79.4-109.1 -46.6 159.4 8.0 18.4 69.6 39 39 A T S S+ 0 0 144 2,-0.1 -4,-0.0 -4,-0.0 -2,-0.0 0.750 96.9 80.2 -64.4 -36.3 4.8 20.1 71.0 40 40 A Q S S- 0 0 68 1,-0.0 2,-0.3 131,-0.0 -3,-0.2 -0.305 73.7-141.8 -68.7 162.7 4.7 22.7 68.3 41 41 A K - 0 0 49 -6,-0.1 2,-0.3 -5,-0.1 -6,-0.2 -0.954 11.5-160.4-124.3 152.3 3.2 21.8 64.8 42 42 A W B -G 34 0C 25 -8,-3.0 -8,-2.2 -2,-0.3 5,-0.1 -0.898 17.4-115.7-127.7 153.0 4.4 22.9 61.4 43 43 A G > - 0 0 12 3,-0.3 3,-3.2 -2,-0.3 -10,-0.1 -0.148 54.0 -70.9 -75.6-179.8 2.7 22.9 57.9 44 44 A P T 3 S+ 0 0 1 0, 0.0 21,-2.8 0, 0.0 34,-0.3 0.658 128.5 67.0 -46.9 -25.3 3.6 21.0 54.8 45 45 A Q B 3 S-I 64 0D 14 19,-0.2 16,-0.5 1,-0.2 19,-0.4 0.572 98.3-146.3 -68.6 -11.9 6.8 23.1 54.4 46 46 A G < - 0 0 2 -3,-3.2 2,-0.7 17,-0.8 -3,-0.3 -0.307 39.9 -38.0 71.7-160.3 8.2 21.5 57.7 47 47 A D > - 0 0 15 15,-2.6 3,-1.7 1,-0.1 15,-0.4 -0.848 44.3-164.9-109.6 104.3 10.5 23.3 60.2 48 48 A R T 3 S+ 0 0 74 -2,-0.7 -1,-0.1 1,-0.3 -2,-0.0 0.606 88.7 54.6 -69.3 -10.3 12.9 25.6 58.6 49 49 A E T 3 S+ 0 0 117 13,-0.1 -1,-0.3 2,-0.1 -3,-0.0 0.682 84.6 94.2 -97.3 -16.0 14.9 25.8 61.8 50 50 A H S < S- 0 0 73 -3,-1.7 12,-0.5 12,-0.2 -3,-0.1 -0.614 74.6-125.2 -85.4 130.5 15.5 22.1 62.4 51 51 A P - 0 0 80 0, 0.0 2,-0.8 0, 0.0 -2,-0.1 -0.254 26.5-104.4 -71.9 160.4 18.8 20.7 61.1 52 52 A D + 0 0 66 1,-0.1 6,-0.0 6,-0.1 9,-0.0 -0.759 38.4 176.4 -87.3 107.6 18.9 17.7 58.8 53 53 A Q S S- 0 0 146 -2,-0.8 -1,-0.1 1,-0.1 48,-0.0 -0.110 78.1 -49.0-104.6 37.7 19.9 14.7 61.0 54 54 A G S S- 0 0 37 1,-0.1 2,-0.2 47,-0.1 46,-0.1 0.829 79.1-176.7 93.1 53.6 19.6 12.1 58.2 55 55 A L - 0 0 7 46,-0.2 46,-0.2 1,-0.1 -1,-0.1 -0.514 38.8-116.9 -80.0 149.1 16.1 12.8 56.7 56 56 A I S S+ 0 0 52 44,-1.8 18,-0.4 1,-0.2 2,-0.4 0.631 110.9 38.6 -58.2 -16.3 14.6 10.7 53.9 57 57 A C > - 0 0 1 3,-0.2 3,-0.7 43,-0.2 -1,-0.2 -0.946 64.0-174.1-138.0 117.4 14.7 13.8 51.8 58 58 A H T 3 S+ 0 0 129 -2,-0.4 -2,-0.1 1,-0.2 -1,-0.1 0.480 82.6 65.2 -86.4 -3.2 17.7 16.2 52.2 59 59 A D T 3 S+ 0 0 129 15,-0.1 2,-0.3 2,-0.1 -1,-0.2 0.245 101.5 50.8-105.6 9.4 16.1 18.8 49.9 60 60 A A S < S- 0 0 12 -3,-0.7 -3,-0.2 4,-0.1 -5,-0.1 -0.977 90.8 -95.9-137.6 157.8 13.2 19.5 52.2 61 61 A F > - 0 0 77 -16,-0.5 3,-2.5 -2,-0.3 38,-0.2 -0.314 49.2 -87.8 -64.5 150.7 12.9 20.4 55.9 62 62 A C T 3 S+ 0 0 0 -12,-0.5 -15,-2.6 -15,-0.4 38,-0.2 -0.340 121.1 27.7 -48.5 134.7 12.2 18.0 58.7 63 63 A G T 3 S+ 0 0 0 36,-3.2 -17,-0.8 1,-0.3 -1,-0.3 0.465 92.9 128.9 80.9 -0.6 8.4 17.8 58.8 64 64 A A B < -I 45 0D 0 -3,-2.5 35,-2.4 -19,-0.4 2,-0.5 -0.503 64.9-108.1 -79.8 156.7 7.8 18.8 55.2 65 65 A L E +E 98 0B 0 -21,-2.8 13,-3.6 33,-0.2 12,-2.2 -0.735 47.0 167.8 -79.0 129.0 5.6 16.7 52.8 66 66 A V E -EF 97 76B 0 31,-3.0 31,-3.2 -2,-0.5 2,-0.3 -0.812 15.5-150.0-126.8 175.1 7.6 14.8 50.2 67 67 A M E -EF 96 75B 0 8,-2.7 8,-3.6 -2,-0.3 2,-0.4 -0.945 12.4-144.7-143.2 166.6 6.8 12.0 47.7 68 68 A K E -E 95 0B 82 27,-2.5 27,-3.4 -2,-0.3 2,-0.6 -0.999 13.8-156.4-126.0 128.7 8.2 9.1 45.8 69 69 A I E > -E 94 0B 1 4,-0.5 3,-2.1 -2,-0.4 22,-0.3 -0.938 63.5 -53.0-108.7 117.2 7.0 8.4 42.3 70 70 A G T 3 S- 0 0 30 23,-3.2 22,-0.2 -2,-0.6 25,-0.1 -0.331 124.1 -15.1 53.9-129.4 7.4 4.7 41.4 71 71 A N T 3 S+ 0 0 177 20,-0.5 -1,-0.3 -3,-0.1 21,-0.1 0.102 104.7 127.0 -87.6 19.6 11.0 3.9 42.2 72 72 A S < - 0 0 20 -3,-2.1 3,-0.1 19,-0.2 2,-0.1 -0.285 66.3-106.1 -73.1 163.2 12.3 7.5 42.4 73 73 A G - 0 0 53 1,-0.2 -4,-0.5 -5,-0.1 -1,-0.1 -0.253 63.3 -66.8 -67.6 174.4 14.2 8.9 45.3 74 74 A T - 0 0 28 -18,-0.4 -6,-0.2 -6,-0.1 -1,-0.2 -0.423 52.2-158.9 -70.3 145.0 12.1 11.3 47.5 75 75 A I E -F 67 0B 31 -8,-3.6 -8,-2.7 -3,-0.1 2,-0.1 -0.985 22.9-108.4-124.3 135.8 11.0 14.5 45.9 76 76 A P E +F 66 0B 35 0, 0.0 -10,-0.3 0, 0.0 -16,-0.0 -0.415 38.6 164.7 -63.6 130.8 9.9 17.6 47.8 77 77 A V > + 0 0 2 -12,-2.2 3,-2.0 -33,-0.2 -11,-0.2 0.707 14.4 160.8-100.2 -47.9 6.2 18.5 47.7 78 78 A N T 3 S- 0 0 45 -13,-3.6 -33,-0.2 -34,-0.3 3,-0.1 -0.408 80.1 -10.1 59.5-136.8 6.0 21.0 50.6 79 79 A T T 3 S- 0 0 2 1,-0.2 -49,-2.6 -50,-0.1 -1,-0.3 0.657 124.4 -81.4 -64.9 -19.7 2.8 23.0 50.1 80 80 A G E < -B 29 0A 10 -3,-2.0 2,-0.4 -51,-0.2 -51,-0.2 -0.859 38.2 -87.3 144.2-170.7 2.3 21.5 46.7 81 81 A L E -B 28 0A 25 -53,-1.7 -53,-2.1 -2,-0.3 2,-0.7 -1.000 27.2-142.0-144.7 123.8 3.1 21.5 43.0 82 82 A F E S- 0 0 35 -2,-0.4 -55,-0.2 1,-0.2 -56,-0.1 -0.841 75.4 -32.3 -98.2 113.7 1.5 23.6 40.3 83 83 A R E S- 0 0 55 -2,-0.7 2,-0.3 1,-0.2 -1,-0.2 0.966 92.8-177.9 42.6 65.2 1.0 21.9 36.8 84 84 A W E -B 26 0A 53 -58,-3.3 -58,-3.0 -3,-0.3 2,-0.4 -0.747 25.5-155.6-107.7 142.8 4.1 20.0 37.4 85 85 A V - 0 0 83 -2,-0.3 -60,-0.1 -60,-0.2 0, 0.0 -0.966 22.9-121.7-119.8 132.5 6.0 17.6 35.1 86 86 A A - 0 0 13 -2,-0.4 -63,-0.2 -62,-0.4 3,-0.1 -0.279 35.8 -91.9 -72.7 161.2 8.3 14.9 36.5 87 87 A P > - 0 0 77 0, 0.0 3,-2.3 0, 0.0 -1,-0.1 -0.229 64.1 -64.6 -68.4 161.9 12.0 14.6 35.5 88 88 A N T 3 S+ 0 0 146 1,-0.3 3,-0.1 -66,-0.0 0, 0.0 -0.121 122.3 9.2 -49.6 135.9 13.0 12.5 32.6 89 89 A N T 3 S+ 0 0 135 1,-0.2 2,-0.6 -3,-0.1 -1,-0.3 0.489 91.0 131.7 73.6 2.2 12.3 8.8 33.3 90 90 A V < + 0 0 29 -3,-2.3 2,-0.3 -20,-0.1 -1,-0.2 -0.805 26.8 133.2 -92.2 122.4 10.3 9.3 36.5 91 91 A Q + 0 0 97 -2,-0.6 -20,-0.5 -22,-0.3 2,-0.2 -0.982 17.3 76.5-160.4 158.1 7.1 7.4 36.5 92 92 A G E S-D 20 0B 19 -72,-2.5 -72,-2.6 -2,-0.3 -2,-0.0 -0.622 78.6 -19.8 125.9 176.5 4.9 5.1 38.7 93 93 A A E -D 19 0B 36 -74,-0.3 -23,-3.2 -2,-0.2 2,-0.6 -0.234 63.6-123.4 -54.3 136.7 2.6 5.2 41.7 94 94 A I E - E 0 69B 0 -76,-2.2 -78,-2.1 -25,-0.2 2,-0.5 -0.778 24.8-168.1 -86.6 120.4 2.9 8.3 43.8 95 95 A T E -DE 15 68B 28 -27,-3.4 -27,-2.5 -2,-0.6 2,-0.4 -0.939 11.1-146.7-107.3 128.1 3.6 7.7 47.5 96 96 A L E -DE 14 67B 0 -82,-3.2 -82,-3.0 -2,-0.5 2,-0.4 -0.804 21.1-175.5 -93.3 135.3 3.2 10.6 49.9 97 97 A I E - 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