==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=22-APR-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER SUGAR BINDING PROTEIN 22-AUG-11 3ZYF . COMPND 2 MOLECULE: PA-I GALACTOPHILIC LECTIN; . SOURCE 2 ORGANISM_SCIENTIFIC: PSEUDOMONAS AERUGINOSA; . AUTHOR R.U.KADAM,M.BERGMANN,M.HURLEY,D.GARG,M.CACCIARINI,M.A.SWIDER . 484 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 21430.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 292 60.3 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 . 174 36.0 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 . 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 0.4 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 . 51 10.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 52 10.7 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 . 5 7 4 4 4 4 0 0 0 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 3 0 4 4 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 90 0, 0.0 2,-0.4 0, 0.0 116,-0.2 0.000 360.0 360.0 360.0 154.9 8.4 -24.2 17.8 2 2 A W E -A 116 0A 39 114,-3.1 114,-3.1 2,-0.0 2,-0.4 -0.993 360.0-179.2-136.1 139.6 10.4 -21.0 17.7 3 3 A K E +A 115 0A 141 -2,-0.4 2,-0.3 112,-0.2 112,-0.2 -0.999 27.1 117.3-135.9 136.6 10.9 -18.1 20.1 4 4 A G E -A 114 0A 19 110,-1.9 110,-3.0 -2,-0.4 2,-0.3 -0.987 54.5 -80.1-176.4 179.7 13.0 -15.0 19.6 5 5 A E E -A 113 0A 89 -2,-0.3 2,-0.6 108,-0.2 108,-0.2 -0.798 23.4-155.5-102.1 143.4 13.3 -11.3 19.2 6 6 A V E -A 112 0A 1 106,-2.5 106,-1.9 -2,-0.3 2,-0.2 -0.939 19.5-143.6-116.7 105.7 12.6 -9.3 16.0 7 7 A L E > -A 111 0A 80 -2,-0.6 3,-1.6 104,-0.2 91,-0.4 -0.478 8.0-138.0 -72.7 136.4 14.6 -6.0 16.1 8 8 A A T 3 S+ 0 0 0 102,-2.3 -1,-0.1 1,-0.3 103,-0.1 0.768 103.2 53.3 -64.2 -26.8 12.9 -3.0 14.6 9 9 A N T 3 S+ 0 0 80 101,-0.4 2,-1.2 99,-0.2 -1,-0.3 0.291 79.1 107.0 -94.0 10.7 16.1 -1.9 12.8 10 10 A N X + 0 0 46 -3,-1.6 3,-1.0 1,-0.2 88,-0.4 -0.705 42.5 177.4 -91.7 89.0 16.6 -5.3 11.1 11 11 A E T 3 S+ 0 0 97 -2,-1.2 -1,-0.2 1,-0.3 89,-0.1 0.850 79.0 55.1 -61.1 -35.8 15.8 -4.5 7.5 12 12 A A T 3 S- 0 0 86 -3,-0.2 -1,-0.3 1,-0.1 -2,-0.1 0.722 110.0-129.7 -71.5 -21.3 16.7 -8.0 6.3 13 13 A G < - 0 0 8 -3,-1.0 2,-0.7 -6,-0.1 84,-0.2 -0.003 21.5 -73.0 90.0 161.9 14.3 -9.5 8.9 14 14 A Q E -E 96 0B 63 82,-3.5 82,-3.1 -4,-0.1 2,-0.3 -0.845 42.1-143.0 -98.3 115.1 14.6 -12.2 11.5 15 15 A V E -E 95 0B 87 -2,-0.7 80,-0.2 80,-0.2 2,-0.2 -0.588 19.0-157.8 -75.8 135.1 14.8 -15.7 10.1 16 16 A T E - 0 0 12 78,-2.4 78,-0.1 -2,-0.3 -14,-0.0 -0.494 28.2-115.9-103.7 178.1 13.0 -18.3 12.2 17 17 A S E S+ 0 0 78 -2,-0.2 2,-0.4 76,-0.1 78,-0.1 0.446 81.9 110.3 -89.9 -2.0 13.4 -22.1 12.5 18 18 A I E - 0 0 7 76,-0.3 76,-2.6 2,-0.0 2,-0.6 -0.625 48.2-169.1 -83.7 124.2 9.9 -22.6 11.2 19 19 A I E -E 93 0B 78 -2,-0.4 2,-0.5 74,-0.2 74,-0.3 -0.949 18.5-141.9-107.9 113.0 9.3 -24.0 7.7 20 20 A Y E -E 92 0B 4 72,-2.8 72,-2.4 -2,-0.6 3,-0.0 -0.637 22.7-173.3 -78.1 122.0 5.7 -23.6 6.6 21 21 A N > - 0 0 65 -2,-0.5 3,-2.5 70,-0.2 65,-0.2 -0.821 38.0 -78.1-112.5 154.1 4.5 -26.7 4.7 22 22 A P T 3 S+ 0 0 93 0, 0.0 3,-0.1 0, 0.0 -1,-0.1 -0.193 119.2 18.9 -48.7 132.6 1.2 -27.2 2.9 23 23 A G T 3 S+ 0 0 55 1,-0.3 2,-0.0 63,-0.1 -3,-0.0 0.243 89.9 142.7 90.3 -13.7 -1.6 -28.0 5.4 24 24 A D < - 0 0 28 -3,-2.5 2,-0.5 1,-0.0 62,-0.4 -0.339 38.3-155.0 -62.0 137.0 0.3 -26.6 8.3 25 25 A V - 0 0 28 94,-0.5 94,-3.5 60,-0.1 2,-0.3 -0.978 20.8-176.6-110.4 125.7 -1.7 -24.8 11.0 26 26 A I E -BC 84 118A 0 58,-2.3 58,-3.5 -2,-0.5 2,-0.4 -0.867 19.2-155.1-124.5 157.6 0.4 -22.3 12.9 27 27 A T E - C 0 117A 2 90,-2.6 90,-2.2 -2,-0.3 2,-0.4 -0.994 11.4-171.4-129.6 137.4 -0.1 -19.9 15.8 28 28 A I E -BC 81 116A 0 53,-2.7 53,-1.1 -2,-0.4 2,-0.4 -0.989 6.7-172.3-129.2 136.8 2.0 -16.8 16.5 29 29 A V E -BC 80 115A 7 86,-2.1 86,-2.7 -2,-0.4 2,-0.4 -0.991 9.9-176.4-127.4 125.0 2.0 -14.5 19.5 30 30 A A E + C 0 114A 0 49,-2.7 2,-0.3 -2,-0.4 84,-0.2 -0.943 7.2 165.2-122.4 142.6 4.0 -11.2 19.3 31 31 A A E + C 0 113A 24 82,-2.1 82,-2.8 -2,-0.4 2,-0.2 -0.969 22.7 68.0-149.8 162.2 4.6 -8.7 22.1 32 32 A G E - C 0 112A 18 -2,-0.3 2,-0.4 80,-0.2 80,-0.2 -0.703 65.7 -72.9 122.6-171.5 6.7 -5.7 23.0 33 33 A W E + C 0 111A 63 78,-0.6 78,-1.4 -2,-0.2 2,-0.3 -0.987 43.9 159.6-134.6 133.4 7.5 -2.1 22.1 34 34 A A E -DC 42 110A 0 8,-2.2 8,-3.2 -2,-0.4 2,-0.3 -0.938 20.8-145.6-146.9 166.3 9.3 -0.7 19.1 35 35 A S E - C 0 109A 0 74,-2.7 74,-1.9 -2,-0.3 6,-0.1 -0.994 15.3-153.7-139.2 145.9 9.7 2.5 17.0 36 36 A Y S S- 0 0 22 -2,-0.3 72,-0.2 72,-0.2 71,-0.2 0.058 87.8 -49.4 -98.3 20.1 10.2 3.4 13.4 37 37 A G S S+ 0 0 33 1,-0.5 -2,-0.1 3,-0.2 4,-0.0 -0.244 107.5 97.0 148.8 -58.8 11.9 6.7 14.4 38 38 A P S S- 0 0 55 0, 0.0 -1,-0.5 0, 0.0 0, 0.0 -0.106 78.1-114.4 -61.4 163.2 9.9 8.8 16.9 39 39 A T S S+ 0 0 147 2,-0.1 -4,-0.0 -4,-0.0 0, 0.0 0.771 96.2 86.1 -69.6 -26.8 10.7 8.7 20.7 40 40 A Q S S- 0 0 74 1,-0.0 2,-0.3 0, 0.0 -3,-0.2 -0.217 73.5-140.7 -65.8 162.8 7.2 7.2 21.2 41 41 A K - 0 0 45 -6,-0.1 2,-0.3 -5,-0.1 -6,-0.2 -0.961 10.7-158.6-132.1 151.9 6.8 3.4 20.9 42 42 A W B -D 34 0A 29 -8,-3.2 -8,-2.2 -2,-0.3 5,-0.1 -0.904 17.2-119.6-128.0 154.1 4.1 1.2 19.4 43 43 A G > - 0 0 14 3,-0.4 3,-2.3 -2,-0.3 -10,-0.1 -0.054 54.0 -70.8 -78.8-171.9 3.1 -2.4 19.8 44 44 A P T 3 S+ 0 0 2 0, 0.0 21,-2.5 0, 0.0 34,-0.3 0.559 129.8 62.5 -61.1 -14.5 3.0 -5.2 17.2 45 45 A Q B 3 S-H 64 0C 13 1,-0.3 16,-0.5 19,-0.2 19,-0.3 0.554 100.1-147.2 -88.4 -10.3 0.0 -3.6 15.4 46 46 A G < - 0 0 3 -3,-2.3 2,-0.8 17,-0.6 -3,-0.4 -0.328 38.8 -31.6 82.2-160.6 2.1 -0.5 14.7 47 47 A D > - 0 0 16 15,-3.0 3,-1.6 -5,-0.1 15,-0.5 -0.849 46.5-168.0-104.5 103.7 1.0 3.1 14.5 48 48 A R T 3 S+ 0 0 93 -2,-0.8 -1,-0.1 1,-0.3 -2,-0.0 0.599 85.9 54.9 -67.1 -11.6 -2.5 3.5 13.2 49 49 A E T 3 S+ 0 0 127 13,-0.1 -1,-0.3 2,-0.1 -2,-0.0 0.426 85.9 95.3-102.8 -0.6 -2.2 7.2 12.7 50 50 A H S < S- 0 0 57 -3,-1.6 12,-0.4 12,-0.1 2,-0.1 -0.789 74.1-123.7 -97.1 131.0 0.9 7.2 10.4 51 51 A P - 0 0 79 0, 0.0 2,-0.7 0, 0.0 -2,-0.1 -0.383 25.5-107.6 -72.2 149.6 0.5 7.3 6.6 52 52 A D + 0 0 71 1,-0.1 6,-0.0 -2,-0.1 9,-0.0 -0.680 39.6 173.0 -77.3 111.3 1.9 4.6 4.4 53 53 A Q S S- 0 0 139 -2,-0.7 -1,-0.1 -3,-0.0 47,-0.0 -0.045 78.2 -43.4-111.1 29.9 4.8 6.2 2.5 54 54 A G S S- 0 0 36 47,-0.1 46,-0.1 3,-0.0 4,-0.1 0.693 80.0-179.7 114.5 34.0 6.1 3.1 0.8 55 55 A L - 0 0 6 46,-0.2 46,-0.2 1,-0.1 3,-0.2 -0.170 39.1-120.5 -61.9 155.0 6.0 0.4 3.5 56 56 A I S S+ 0 0 45 44,-1.3 2,-0.4 1,-0.2 18,-0.4 0.711 108.8 37.8 -70.8 -18.9 7.2 -3.2 2.8 57 57 A C > - 0 0 0 3,-0.2 3,-0.9 43,-0.1 -1,-0.2 -0.940 63.0-175.6-133.4 113.2 3.7 -4.3 3.7 58 58 A H T 3 S+ 0 0 126 -2,-0.4 -1,-0.1 1,-0.2 -6,-0.1 0.563 82.9 66.2 -83.2 -7.3 0.8 -2.0 2.6 59 59 A D T 3 S+ 0 0 132 15,-0.1 2,-0.3 2,-0.1 -1,-0.2 0.311 101.7 52.8 -95.2 7.1 -1.7 -4.3 4.5 60 60 A A S < S- 0 0 11 -3,-0.9 -3,-0.2 4,-0.1 3,-0.1 -0.965 90.3-100.2-139.0 156.1 -0.3 -3.4 7.9 61 61 A F > - 0 0 81 -16,-0.5 3,-1.8 -2,-0.3 38,-0.2 -0.284 50.9 -85.3 -70.8 157.5 0.5 -0.1 9.7 62 62 A C T 3 S+ 0 0 2 -15,-0.5 -15,-3.0 -12,-0.4 38,-0.2 -0.457 119.5 26.3 -58.3 131.1 3.9 1.4 9.9 63 63 A G T 3 S+ 0 0 0 36,-3.2 -17,-0.6 1,-0.3 -1,-0.3 0.510 94.0 129.2 90.4 4.8 5.7 -0.3 12.8 64 64 A A B < -H 45 0C 0 -3,-1.8 35,-2.8 -19,-0.3 2,-0.5 -0.494 65.0-105.1 -86.6 160.4 3.6 -3.5 12.7 65 65 A L E +F 98 0B 0 -21,-2.5 13,-2.6 33,-0.2 12,-2.5 -0.750 46.8 168.2 -84.6 129.6 5.0 -7.0 12.7 66 66 A V E -FG 97 76B 0 31,-2.8 31,-2.9 -2,-0.5 2,-0.3 -0.798 15.0-151.6-129.9 175.4 4.8 -8.7 9.3 67 67 A M E -FG 96 75B 0 8,-2.1 8,-2.6 -2,-0.3 2,-0.4 -0.967 10.4-145.3-145.5 161.2 6.3 -11.8 7.8 68 68 A K E -F 95 0B 93 27,-2.3 27,-2.6 -2,-0.3 2,-0.5 -0.978 12.4-155.3-122.2 143.7 7.4 -13.5 4.5 69 69 A I E > -F 94 0B 0 4,-0.5 3,-2.0 -2,-0.4 22,-0.4 -0.966 63.6 -49.6-121.3 114.8 7.0 -17.2 3.9 70 70 A G T 3 S- 0 0 39 23,-2.7 22,-0.2 -2,-0.5 25,-0.1 -0.434 124.3 -21.0 57.3-126.0 9.5 -18.6 1.4 71 71 A N T 3 S+ 0 0 161 20,-0.4 -1,-0.3 -2,-0.2 21,-0.1 0.058 106.3 128.8 -99.8 25.3 9.3 -16.2 -1.6 72 72 A S < - 0 0 20 -3,-2.0 3,-0.1 19,-0.1 2,-0.1 -0.180 63.1-105.2 -70.0 168.4 5.9 -14.9 -0.7 73 73 A G - 0 0 54 1,-0.2 -4,-0.5 -5,-0.1 -1,-0.1 -0.226 60.4 -61.5 -77.6-178.4 5.1 -11.2 -0.4 74 74 A T - 0 0 31 -18,-0.4 -6,-0.2 -6,-0.1 -1,-0.2 -0.421 51.0-164.1 -70.3 142.7 4.7 -9.6 3.0 75 75 A I E -G 67 0B 27 -8,-2.6 -8,-2.1 -2,-0.1 2,-0.0 -0.997 24.1-114.3-128.4 128.4 1.8 -10.9 5.2 76 76 A P E +G 66 0B 34 0, 0.0 -10,-0.2 0, 0.0 -31,-0.1 -0.353 35.8 167.9 -63.4 138.6 0.6 -9.0 8.3 77 77 A V > + 0 0 2 -12,-2.5 3,-2.1 -33,-0.2 -11,-0.2 0.664 14.2 161.9-112.3 -42.3 1.2 -10.7 11.6 78 78 A N T 3 S- 0 0 45 -13,-2.6 -33,-0.1 1,-0.3 3,-0.1 -0.327 78.4 -9.4 55.7-128.8 0.4 -7.8 14.0 79 79 A T T 3 S- 0 0 1 1,-0.3 -49,-2.7 -50,-0.1 -1,-0.3 0.671 123.9 -82.7 -73.2 -15.5 -0.3 -9.2 17.5 80 80 A G E < -B 29 0A 11 -3,-2.1 2,-0.4 -51,-0.2 -1,-0.3 -0.839 39.0 -86.6 141.9-177.8 -0.2 -12.7 16.1 81 81 A L E -B 28 0A 25 -53,-1.1 -53,-2.7 -2,-0.3 2,-0.6 -0.992 25.2-143.8-133.4 137.1 -2.2 -15.4 14.3 82 82 A F E S- 0 0 37 -2,-0.4 -55,-0.2 -55,-0.2 -56,-0.1 -0.893 77.5 -30.4-108.5 113.1 -4.4 -18.1 15.8 83 83 A R E S- 0 0 96 -2,-0.6 2,-0.3 1,-0.2 -56,-0.2 0.944 91.6-177.0 45.5 64.3 -4.4 -21.5 14.2 84 84 A W E -B 26 0A 51 -58,-3.5 -58,-2.3 -3,-0.2 2,-0.4 -0.705 22.9-155.9-103.7 138.8 -3.7 -19.9 10.8 85 85 A V - 0 0 82 -2,-0.3 -60,-0.1 -60,-0.2 -61,-0.0 -0.934 24.1-118.6-114.1 138.2 -3.4 -21.6 7.4 86 86 A A - 0 0 12 -62,-0.4 -63,-0.1 -2,-0.4 3,-0.1 -0.252 32.5 -94.9 -73.1 158.7 -1.4 -19.9 4.6 87 87 A P > - 0 0 72 0, 0.0 3,-1.7 0, 0.0 -1,-0.1 -0.185 63.5 -65.1 -62.4 165.3 -2.8 -18.8 1.2 88 88 A N T 3 S+ 0 0 147 1,-0.2 3,-0.1 -66,-0.0 0, 0.0 -0.239 120.7 9.4 -55.5 136.6 -2.5 -21.2 -1.8 89 89 A N T 3 S+ 0 0 165 1,-0.2 2,-0.6 -3,-0.1 -1,-0.2 0.549 94.1 131.9 72.6 8.3 1.0 -22.0 -3.0 90 90 A V < + 0 0 27 -3,-1.7 2,-0.3 -20,-0.1 -1,-0.2 -0.838 24.7 126.3 -97.0 122.1 2.6 -20.3 -0.0 91 91 A Q + 0 0 101 -2,-0.6 -20,-0.4 -22,-0.4 2,-0.2 -0.981 20.2 76.4-164.8 163.5 5.3 -22.3 1.8 92 92 A G E S-E 20 0B 15 -72,-2.4 -72,-2.8 -2,-0.3 -2,-0.0 -0.734 78.8 -12.9 124.6-174.1 8.9 -22.1 3.0 93 93 A A E -E 19 0B 38 -74,-0.3 -23,-2.7 -2,-0.2 2,-0.5 -0.275 63.6-126.1 -61.7 142.3 10.9 -20.6 5.8 94 94 A I E - F 0 69B 0 -76,-2.6 -78,-2.4 -25,-0.2 2,-0.5 -0.817 25.2-173.2 -92.7 126.2 9.2 -18.0 7.9 95 95 A T E -EF 15 68B 29 -27,-2.6 -27,-2.3 -2,-0.5 2,-0.3 -0.982 12.9-146.5-117.4 129.0 11.0 -14.6 8.2 96 96 A L E -EF 14 67B 0 -82,-3.1 -82,-3.5 -2,-0.5 2,-0.4 -0.762 20.7-177.4 -95.6 141.5 9.7 -12.0 10.6 97 97 A I E - 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