==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=15-MAR-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER SUGAR BINDING PROTEIN 02-MAR-12 4AL9 . COMPND 2 MOLECULE: PA-I GALACTOPHILIC LECTIN; . SOURCE 2 ORGANISM_SCIENTIFIC: PSEUDOMONAS AERUGINOSA; . AUTHOR B.BLANCHARD,A.IMBERTY,A.VARROT . 968 8 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 37857.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 591 61.1 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 . 340 35.1 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 . 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 . 5 0.5 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 . 98 10.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 98 10.1 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+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 . 14 10 8 8 8 8 0 0 0 8 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 2 0 8 8 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 59 0, 0.0 2,-0.4 0, 0.0 116,-0.2 0.000 360.0 360.0 360.0 167.0 -12.6 -29.3 -16.2 2 2 A W E -A 116 0A 37 114,-2.6 114,-2.6 2,-0.0 2,-0.4 -0.985 360.0-173.1-132.2 138.1 -11.2 -29.2 -19.7 3 3 A K E +A 115 0A 53 -2,-0.4 2,-0.3 112,-0.2 112,-0.2 -0.987 33.2 117.2-131.8 120.6 -13.1 -29.4 -22.9 4 4 A G E -A 114 0A 11 110,-2.3 110,-3.1 -2,-0.4 2,-0.3 -0.861 50.0 -87.3-162.1-162.1 -11.2 -29.7 -26.2 5 5 A E E -A 113 0A 16 -2,-0.3 2,-0.5 108,-0.2 108,-0.2 -0.888 13.6-152.5-130.4 153.5 -10.2 -31.5 -29.3 6 6 A V E -A 112 0A 3 106,-2.9 106,-2.4 -2,-0.3 2,-0.4 -0.987 18.0-146.1-127.5 117.8 -7.6 -34.0 -30.3 7 7 A L E > -A 111 0A 15 -2,-0.5 3,-1.6 104,-0.2 91,-0.4 -0.704 11.3-137.3 -90.1 139.2 -6.5 -34.1 -34.0 8 8 A A T 3 S+ 0 0 0 102,-2.4 -1,-0.1 -2,-0.4 103,-0.1 0.794 102.6 50.1 -62.8 -30.0 -5.6 -37.3 -35.6 9 9 A N T 3 S+ 0 0 27 101,-0.4 2,-1.2 99,-0.2 -1,-0.3 0.379 81.0 105.6 -95.1 7.9 -2.5 -35.9 -37.4 10 10 A N < - 0 0 25 -3,-1.6 88,-0.5 1,-0.2 3,-0.1 -0.710 44.9-179.0 -89.2 94.1 -1.0 -34.3 -34.3 11 11 A E S S+ 0 0 88 -2,-1.2 -1,-0.2 1,-0.2 89,-0.1 0.871 79.0 52.3 -61.1 -37.7 1.9 -36.6 -33.4 12 12 A A S S- 0 0 55 1,-0.2 -1,-0.2 656,-0.1 2,-0.1 0.875 105.2-136.7 -67.9 -34.8 2.9 -34.6 -30.3 13 13 A G - 0 0 11 -3,-0.1 2,-0.6 -6,-0.1 84,-0.2 -0.390 21.9 -70.6 95.5 174.2 -0.6 -34.6 -28.8 14 14 A Q E -E 96 0B 45 82,-3.0 82,-2.8 -2,-0.1 2,-0.2 -0.947 38.4-142.5-112.3 117.5 -2.6 -31.9 -27.1 15 15 A V E -E 95 0B 48 -2,-0.6 80,-0.2 80,-0.3 2,-0.2 -0.565 22.6-153.6 -75.1 135.8 -1.5 -30.7 -23.7 16 16 A T E - 0 0 11 78,-2.2 78,-0.0 2,-0.3 -1,-0.0 -0.554 26.6-112.7-105.3 175.9 -4.6 -30.0 -21.6 17 17 A S E S+ 0 0 85 -2,-0.2 2,-0.6 76,-0.1 -2,-0.0 0.384 86.3 106.2 -85.6 0.5 -5.0 -27.6 -18.6 18 18 A I E - 0 0 9 76,-0.3 76,-2.4 2,-0.0 2,-0.6 -0.755 52.5-166.6 -89.3 119.5 -5.5 -30.6 -16.3 19 19 A I E -E 93 0B 78 -2,-0.6 2,-0.6 74,-0.2 74,-0.3 -0.941 18.3-139.5-101.5 115.1 -2.6 -31.4 -14.0 20 20 A Y E -E 92 0B 5 72,-2.7 72,-3.0 -2,-0.6 3,-0.0 -0.708 27.3-171.2 -73.8 117.1 -3.1 -34.9 -12.6 21 21 A N > - 0 0 18 -2,-0.6 3,-2.6 70,-0.2 69,-0.1 -0.758 35.9 -74.9-110.2 155.3 -2.0 -34.7 -8.9 22 22 A P T 3 S+ 0 0 77 0, 0.0 363,-0.2 0, 0.0 -1,-0.1 -0.213 119.8 15.8 -48.6 128.5 -1.5 -37.4 -6.3 23 23 A G T 3 S+ 0 0 53 1,-0.3 -3,-0.0 63,-0.1 66,-0.0 0.218 90.9 141.6 90.0 -11.4 -4.9 -38.7 -5.1 24 24 A D < - 0 0 2 -3,-2.6 62,-0.5 97,-0.1 2,-0.4 -0.290 37.4-156.7 -62.8 146.6 -6.9 -37.2 -8.0 25 25 A V - 0 0 23 94,-0.5 94,-3.0 60,-0.1 2,-0.3 -0.979 18.6-170.8-120.8 129.8 -9.8 -39.1 -9.5 26 26 A I E -BC 84 118A 0 58,-2.4 58,-2.8 -2,-0.4 2,-0.4 -0.920 18.8-153.3-125.6 156.8 -10.7 -38.1 -13.0 27 27 A T E - C 0 117A 1 90,-2.5 90,-2.4 -2,-0.3 2,-0.4 -0.993 14.2-173.9-125.6 135.3 -13.4 -38.8 -15.6 28 28 A I E -BC 81 116A 0 53,-2.2 53,-1.2 -2,-0.4 2,-0.4 -0.989 6.0-175.9-125.6 133.8 -12.8 -38.6 -19.4 29 29 A V E -BC 80 115A 8 86,-2.1 86,-2.5 -2,-0.4 2,-0.4 -0.993 9.4-173.4-128.2 129.7 -15.4 -38.9 -22.1 30 30 A A E + C 0 114A 0 49,-2.5 2,-0.3 -2,-0.4 84,-0.2 -0.940 6.7 170.4-123.8 141.0 -14.2 -38.9 -25.8 31 31 A A E + C 0 113A 28 82,-2.4 82,-2.8 -2,-0.4 2,-0.2 -0.955 24.7 67.4-141.7 161.1 -16.3 -38.8 -29.0 32 32 A G E - C 0 112A 17 -2,-0.3 2,-0.4 80,-0.2 80,-0.2 -0.691 64.0 -75.2 126.2-172.3 -15.9 -38.4 -32.7 33 33 A W E + C 0 111A 58 78,-0.7 78,-1.4 -2,-0.2 2,-0.3 -0.994 43.5 155.5-135.0 133.5 -14.5 -39.8 -35.9 34 34 A A E -DC 42 110A 0 8,-2.3 8,-3.2 -2,-0.4 2,-0.3 -0.934 23.2-141.1-148.7 168.0 -10.9 -40.1 -37.1 35 35 A S E - C 0 109A 0 74,-3.1 74,-1.9 -2,-0.3 6,-0.1 -0.993 15.8-153.1-141.5 145.9 -8.6 -42.0 -39.4 36 36 A Y S S- 0 0 20 -2,-0.3 71,-0.2 72,-0.2 72,-0.1 0.358 88.8 -52.2 -94.5 4.2 -5.0 -43.2 -39.4 37 37 A G S S+ 0 0 30 1,-0.4 -2,-0.1 3,-0.3 4,-0.0 -0.143 106.4 101.0 153.7 -45.2 -5.0 -43.2 -43.2 38 38 A P S S- 0 0 55 0, 0.0 -1,-0.4 0, 0.0 0, 0.0 -0.099 77.2-111.7 -64.3 169.2 -7.9 -45.1 -44.7 39 39 A T S S+ 0 0 135 2,-0.1 -4,-0.0 -4,-0.0 0, 0.0 0.872 97.1 79.9 -60.0 -47.0 -11.1 -43.6 -46.2 40 40 A Q S S- 0 0 54 1,-0.0 2,-0.3 131,-0.0 -3,-0.3 -0.184 74.0-143.2 -56.9 154.2 -13.1 -45.1 -43.3 41 41 A K - 0 0 50 -6,-0.1 2,-0.3 -5,-0.1 -6,-0.2 -0.931 11.3-157.9-122.4 155.9 -13.2 -43.4 -40.0 42 42 A W B -D 34 0A 23 -8,-3.2 -8,-2.3 -2,-0.3 5,-0.1 -0.899 16.7-114.5-129.2 157.9 -13.3 -44.9 -36.5 43 43 A G > - 0 0 15 3,-0.3 3,-2.6 -2,-0.3 -10,-0.1 -0.066 55.1 -73.3 -81.3-174.6 -14.3 -43.8 -33.1 44 44 A P T 3 S+ 0 0 2 0, 0.0 21,-2.4 0, 0.0 34,-0.2 0.554 128.1 65.6 -67.0 -6.3 -12.0 -43.4 -30.0 45 45 A Q B 3 S-H 64 0C 17 1,-0.2 16,-0.4 19,-0.2 19,-0.4 0.512 98.4-148.4 -83.5 -6.8 -11.6 -47.2 -29.7 46 46 A G < - 0 0 2 -3,-2.6 2,-0.7 17,-0.7 -3,-0.3 -0.280 38.5 -32.8 71.2-159.2 -9.8 -47.3 -33.0 47 47 A D > - 0 0 13 15,-3.0 3,-1.1 1,-0.1 15,-0.4 -0.878 45.0-167.1-107.1 109.7 -9.8 -50.1 -35.5 48 48 A R T 3 S+ 0 0 91 -2,-0.7 -1,-0.1 1,-0.2 116,-0.0 0.619 86.9 55.1 -73.0 -12.3 -10.0 -53.5 -33.9 49 49 A E T 3 S+ 0 0 116 2,-0.1 -1,-0.2 12,-0.0 -2,-0.0 0.425 85.3 93.7 -99.3 -1.5 -9.1 -55.2 -37.2 50 50 A H S < S- 0 0 53 -3,-1.1 12,-0.4 12,-0.2 -3,-0.1 -0.811 76.0-121.0 -99.3 128.2 -5.8 -53.4 -38.0 51 51 A P - 0 0 78 0, 0.0 2,-0.9 0, 0.0 -2,-0.1 -0.213 26.9-106.1 -63.2 152.1 -2.5 -55.0 -36.8 52 52 A D + 0 0 69 1,-0.1 9,-0.0 6,-0.1 6,-0.0 -0.716 39.2 174.8 -80.5 107.2 -0.1 -53.2 -34.4 53 53 A Q S S- 0 0 136 -2,-0.9 -1,-0.1 1,-0.1 47,-0.0 -0.047 76.5 -49.5-102.6 30.3 2.8 -52.1 -36.6 54 54 A G S S- 0 0 32 47,-0.1 46,-0.1 1,-0.1 -1,-0.1 0.792 77.1-175.2 104.6 45.4 4.7 -50.1 -33.8 55 55 A L - 0 0 6 46,-0.2 46,-0.2 1,-0.1 3,-0.1 -0.341 38.1-118.0 -70.7 152.1 2.0 -47.9 -32.3 56 56 A I S S+ 0 0 44 44,-1.6 2,-0.4 1,-0.2 18,-0.3 0.705 109.8 40.8 -65.5 -20.4 2.9 -45.4 -29.7 57 57 A C > - 0 0 1 3,-0.2 3,-0.9 43,-0.1 -1,-0.2 -0.938 62.7-175.5-133.4 118.6 0.5 -47.4 -27.4 58 58 A H T 3 S+ 0 0 136 -2,-0.4 -1,-0.1 1,-0.2 -2,-0.1 0.626 82.9 65.5 -85.6 -15.4 0.5 -51.1 -27.6 59 59 A D T 3 S+ 0 0 141 15,-0.1 2,-0.3 2,-0.1 -1,-0.2 0.368 103.5 52.6 -87.3 6.8 -2.4 -51.5 -25.2 60 60 A A S < S- 0 0 11 -3,-0.9 -3,-0.2 4,-0.1 -5,-0.1 -0.970 86.7-103.8-140.6 155.0 -4.7 -49.8 -27.7 61 61 A F > - 0 0 78 -16,-0.4 3,-1.9 -2,-0.3 2,-0.2 -0.274 51.0 -82.4 -69.7 160.7 -5.7 -50.3 -31.3 62 62 A C T 3 S+ 0 0 1 -15,-0.4 -15,-3.0 -12,-0.4 38,-0.2 -0.455 120.9 27.2 -59.1 129.5 -4.6 -48.1 -34.1 63 63 A G T 3 S+ 0 0 0 36,-2.9 -17,-0.7 1,-0.3 -1,-0.2 0.438 92.9 132.3 89.6 3.5 -6.8 -45.0 -34.1 64 64 A A B < -H 45 0C 0 -3,-1.9 35,-2.9 -19,-0.4 2,-0.4 -0.469 62.2-110.1 -77.0 155.6 -7.6 -45.2 -30.4 65 65 A L E +F 98 0B 0 -21,-2.4 13,-2.8 33,-0.2 12,-2.4 -0.717 45.8 165.5 -84.0 130.9 -7.4 -42.2 -28.0 66 66 A V E -FG 97 76B 0 31,-2.5 31,-2.7 -2,-0.4 2,-0.3 -0.824 13.9-161.9-131.8 175.7 -4.5 -42.5 -25.5 67 67 A M E -FG 96 75B 0 8,-2.1 8,-2.9 -2,-0.3 2,-0.4 -0.973 13.4-138.0-150.2 168.2 -2.8 -40.1 -23.1 68 68 A K E -F 95 0B 88 27,-2.1 27,-2.8 -2,-0.3 2,-0.6 -0.982 10.8-149.1-126.4 143.8 0.3 -39.5 -21.0 69 69 A I E > -F 94 0B 1 4,-0.5 3,-1.7 -2,-0.4 22,-0.3 -0.949 69.9 -50.0-109.7 111.1 0.3 -38.1 -17.5 70 70 A G T 3 S- 0 0 35 23,-2.7 22,-0.2 -2,-0.6 25,-0.1 -0.397 123.3 -20.2 58.2-129.7 3.6 -36.1 -17.1 71 71 A N T 3 S+ 0 0 167 20,-0.4 -1,-0.3 -3,-0.1 21,-0.1 0.157 104.6 131.2-100.0 26.8 6.4 -38.4 -18.3 72 72 A S < - 0 0 18 -3,-1.7 3,-0.1 19,-0.2 -2,-0.0 -0.129 64.9 -96.4 -64.5 167.1 4.4 -41.5 -17.9 73 73 A G - 0 0 55 1,-0.2 -4,-0.5 -5,-0.1 2,-0.1 -0.219 62.3 -67.5 -68.1 171.5 4.1 -44.2 -20.5 74 74 A T - 0 0 42 -18,-0.3 -6,-0.2 -6,-0.1 -1,-0.2 -0.447 51.3-159.5 -66.0 138.0 1.1 -44.1 -22.9 75 75 A I E -G 67 0B 22 -8,-2.9 -8,-2.1 -2,-0.1 2,-0.1 -0.991 20.2-119.1-120.8 125.2 -2.1 -44.9 -21.1 76 76 A P E +G 66 0B 35 0, 0.0 -10,-0.3 0, 0.0 -16,-0.0 -0.401 35.1 169.0 -66.2 140.9 -5.1 -46.1 -23.1 77 77 A V > + 0 0 2 -12,-2.4 3,-2.0 -33,-0.2 -11,-0.2 0.652 10.6 163.2-113.8 -42.4 -8.2 -43.8 -22.9 78 78 A N T 3 S- 0 0 48 -13,-2.8 -33,-0.2 1,-0.3 3,-0.1 -0.312 79.4 -10.9 54.2-133.3 -10.5 -45.1 -25.6 79 79 A T T 3 S- 0 0 3 1,-0.2 -49,-2.5 -50,-0.1 2,-0.3 0.663 124.8 -78.7 -70.3 -13.5 -14.1 -43.8 -25.1 80 80 A G E < -B 29 0A 11 -3,-2.0 2,-0.4 -51,-0.3 -1,-0.2 -0.862 39.6 -86.5 142.2-178.0 -13.0 -42.6 -21.7 81 81 A L E -B 28 0A 25 -53,-1.2 -53,-2.2 -2,-0.3 2,-0.6 -0.984 28.7-143.7-132.8 132.4 -12.3 -43.4 -18.1 82 82 A F E S- 0 0 33 -2,-0.4 -55,-0.2 1,-0.2 156,-0.0 -0.898 73.8 -31.8-107.2 114.8 -14.8 -43.5 -15.3 83 83 A R E S+ 0 0 56 -2,-0.6 2,-0.4 1,-0.2 -56,-0.2 0.935 93.9 178.7 43.7 63.9 -13.8 -42.2 -11.8 84 84 A W E -B 26 0A 53 -58,-2.8 -58,-2.4 -3,-0.2 2,-0.4 -0.746 29.4-155.4-112.1 138.4 -10.3 -43.4 -12.4 85 85 A V - 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