==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=10-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER SUGAR BINDING PROTEIN 28-JUL-03 1OKO . COMPND 2 MOLECULE: PA-I GALACTOPHILIC LECTIN; . SOURCE 2 ORGANISM_SCIENTIFIC: PSEUDOMONAS AERUGINOSA; . AUTHOR G.CIOCI,E.MITCHELL,C.GAUTIER,M.WIMMEROVA,S.PEREZ,N.GILBOA-GA . 484 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 19665.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 299 61.8 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 . 170 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 . 1 0.2 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 . 8 4 4 4 4 4 0 0 0 2 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 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 60 0, 0.0 2,-0.3 0, 0.0 116,-0.2 0.000 360.0 360.0 360.0 160.1 14.2 0.8 16.7 2 2 A W E -A 116 0A 43 114,-1.9 114,-2.6 14,-0.1 2,-0.4 -0.961 360.0-174.9-155.6 141.3 15.9 0.4 20.1 3 3 A K E +A 115 0A 145 -2,-0.3 2,-0.3 112,-0.2 112,-0.2 -1.000 28.5 112.9-138.1 136.2 14.8 -0.5 23.5 4 4 A G E -A 114 0A 19 110,-2.2 110,-3.1 -2,-0.4 2,-0.4 -0.985 54.2 -72.2-177.6-169.5 16.9 -0.4 26.7 5 5 A E E -A 113 0A 86 -2,-0.3 2,-0.6 108,-0.2 108,-0.2 -0.817 22.0-157.0-109.3 142.8 17.8 1.0 30.1 6 6 A V E -A 112 0A 3 106,-2.7 106,-2.2 -2,-0.4 2,-0.3 -0.971 20.1-143.8-116.9 110.8 19.4 4.3 30.9 7 7 A L E > -A 111 0A 81 -2,-0.6 3,-1.5 104,-0.2 91,-0.4 -0.616 8.1-139.8 -79.4 136.5 21.0 4.1 34.4 8 8 A A T 3 S+ 0 0 0 102,-2.3 -1,-0.1 -2,-0.3 103,-0.1 0.764 103.0 53.3 -63.1 -31.7 20.8 7.2 36.5 9 9 A N T 3 S+ 0 0 83 101,-0.4 2,-1.1 99,-0.2 -1,-0.3 0.357 80.9 105.4 -88.1 7.6 24.5 6.8 37.7 10 10 A N X + 0 0 46 -3,-1.5 3,-0.9 1,-0.2 88,-0.4 -0.703 44.4 178.7 -89.8 89.1 25.8 6.5 34.1 11 11 A E T 3 S+ 0 0 95 -2,-1.1 -1,-0.2 1,-0.2 89,-0.1 0.854 79.4 54.1 -61.7 -33.6 27.6 9.8 33.6 12 12 A A T 3 S- 0 0 85 1,-0.2 -1,-0.2 85,-0.0 -2,-0.1 0.726 108.7-132.8 -73.6 -19.2 28.7 8.9 30.1 13 13 A G < - 0 0 10 -3,-0.9 2,-0.6 -6,-0.2 84,-0.2 -0.056 21.9 -72.3 84.7 168.2 25.2 8.1 29.1 14 14 A Q E -E 96 0B 72 82,-2.9 82,-2.9 -4,-0.1 2,-0.2 -0.898 41.3-144.4-101.7 116.1 23.7 5.1 27.2 15 15 A V E -E 95 0B 81 -2,-0.6 2,-0.2 80,-0.2 80,-0.2 -0.499 18.5-156.5 -76.7 140.1 24.5 5.0 23.5 16 16 A T E - 0 0 9 78,-2.2 78,-0.1 2,-0.2 -14,-0.1 -0.706 27.3-116.5-108.6 171.2 21.7 3.6 21.5 17 17 A S E S+ 0 0 84 -2,-0.2 2,-0.5 76,-0.1 78,-0.1 0.357 82.1 110.3 -84.8 1.6 21.7 1.9 18.1 18 18 A I E - 0 0 5 76,-0.3 76,-2.6 2,-0.0 2,-0.6 -0.697 50.1-166.5 -80.2 123.4 19.6 4.8 16.6 19 19 A I E -E 93 0B 76 -2,-0.5 2,-0.6 74,-0.2 74,-0.3 -0.957 16.6-141.6-107.8 116.7 21.4 7.1 14.2 20 20 A Y E -E 92 0B 3 72,-2.6 72,-2.6 -2,-0.6 3,-0.0 -0.688 22.4-168.4 -76.9 117.3 19.3 10.2 13.6 21 21 A N > - 0 0 22 -2,-0.6 3,-2.6 70,-0.2 70,-0.0 -0.773 36.4 -79.0-105.5 149.2 19.6 11.2 10.0 22 22 A P T 3 S+ 0 0 95 0, 0.0 -1,-0.1 0, 0.0 69,-0.1 -0.250 119.2 18.3 -48.1 130.0 18.5 14.5 8.4 23 23 A G T 3 S+ 0 0 59 1,-0.3 2,-0.0 63,-0.2 65,-0.0 0.282 89.5 144.0 93.0 -7.4 14.7 14.4 7.9 24 24 A D < - 0 0 10 -3,-2.6 2,-0.5 1,-0.0 62,-0.4 -0.361 40.0-149.5 -65.7 144.7 14.1 11.5 10.3 25 25 A V - 0 0 32 94,-0.4 94,-3.0 60,-0.1 2,-0.3 -0.975 23.4-171.5-111.7 122.0 10.9 11.6 12.4 26 26 A I E -BC 84 118A 0 58,-2.8 58,-2.7 -2,-0.5 2,-0.4 -0.864 18.8-159.6-120.9 155.5 11.3 9.9 15.7 27 27 A T E - C 0 117A 3 90,-2.5 90,-2.6 -2,-0.3 2,-0.4 -0.996 12.3-177.5-131.8 138.4 9.2 8.8 18.7 28 28 A I E -BC 81 116A 0 53,-2.4 53,-1.2 -2,-0.4 2,-0.4 -0.991 7.3-174.8-134.5 136.2 10.5 8.1 22.2 29 29 A V E -BC 80 115A 8 86,-2.1 86,-2.4 -2,-0.4 2,-0.4 -0.981 9.3-172.8-131.3 131.1 8.7 6.9 25.2 30 30 A A E + C 0 114A 0 49,-2.7 2,-0.3 -2,-0.4 84,-0.2 -0.930 5.7 173.6-123.5 145.1 10.5 6.6 28.6 31 31 A A E + C 0 113A 26 82,-2.3 82,-2.7 -2,-0.4 2,-0.2 -0.931 25.2 69.7-142.7 161.8 9.3 5.2 31.9 32 32 A G E - C 0 112A 16 -2,-0.3 2,-0.4 80,-0.2 80,-0.2 -0.658 62.8 -75.4 125.1-175.5 10.7 4.4 35.3 33 33 A W E + C 0 111A 56 78,-0.7 78,-1.5 -2,-0.2 2,-0.3 -0.984 43.1 158.8-133.4 130.1 12.0 5.8 38.5 34 34 A A E -DC 42 110A 0 8,-2.4 8,-2.8 -2,-0.4 2,-0.4 -0.972 21.3-147.2-149.3 160.1 15.3 7.4 39.4 35 35 A S E - C 0 109A 0 74,-2.8 74,-2.0 -2,-0.3 6,-0.1 -0.989 15.6-155.2-134.9 142.3 17.1 9.6 41.8 36 36 A Y S S- 0 0 23 -2,-0.4 71,-0.2 72,-0.2 72,-0.1 0.245 87.2 -52.3 -85.6 3.4 19.9 12.1 41.7 37 37 A G S S+ 0 0 32 1,-0.5 -2,-0.1 3,-0.3 4,-0.0 -0.116 106.2 101.6 155.0 -53.5 20.7 11.5 45.4 38 38 A P S S- 0 0 53 0, 0.0 -1,-0.5 0, 0.0 0, 0.0 -0.132 78.3-114.0 -56.7 156.8 17.6 11.8 47.6 39 39 A T S S+ 0 0 147 2,-0.1 2,-0.0 -4,-0.0 -4,-0.0 0.762 96.8 81.2 -64.6 -23.9 15.8 8.8 49.0 40 40 A Q S S- 0 0 62 1,-0.0 2,-0.3 0, 0.0 -3,-0.3 -0.291 73.3-142.7 -70.9 164.5 12.7 9.7 46.9 41 41 A K - 0 0 51 -6,-0.1 2,-0.3 -5,-0.1 -6,-0.2 -0.947 10.6-159.2-128.3 158.9 12.5 8.9 43.2 42 42 A W B -D 34 0A 24 -8,-2.8 -8,-2.4 -2,-0.3 5,-0.1 -0.873 17.8-112.5-129.4 160.6 11.2 10.7 40.2 43 43 A G > - 0 0 15 3,-0.3 3,-2.4 -2,-0.3 -10,-0.1 -0.052 55.9 -71.0 -78.4-175.7 10.0 9.9 36.7 44 44 A P T 3 S+ 0 0 2 0, 0.0 21,-2.5 0, 0.0 34,-0.3 0.561 129.2 62.3 -63.2 -10.2 11.6 10.9 33.4 45 45 A Q B 3 S-H 64 0C 14 1,-0.2 16,-0.5 19,-0.2 19,-0.3 0.579 98.1-150.6 -86.4 -7.0 10.6 14.6 33.9 46 46 A G < - 0 0 2 -3,-2.4 2,-0.7 17,-0.6 -3,-0.3 -0.326 38.5 -29.2 72.3-156.7 12.7 14.8 37.0 47 47 A D > - 0 0 14 15,-2.8 3,-1.1 1,-0.1 15,-0.5 -0.869 43.4-168.6-108.6 105.7 12.2 17.0 40.1 48 48 A R T 3 S+ 0 0 92 -2,-0.7 -1,-0.1 1,-0.2 -2,-0.0 0.663 86.0 57.4 -68.9 -16.1 10.4 20.3 39.4 49 49 A E T 3 S+ 0 0 125 13,-0.1 -1,-0.2 2,-0.1 -2,-0.0 0.645 85.9 91.4 -88.0 -16.4 11.3 21.6 42.9 50 50 A H S < S- 0 0 53 -3,-1.1 12,-0.4 12,-0.2 -3,-0.0 -0.647 74.1-124.3 -91.3 134.8 15.1 21.2 42.7 51 51 A P - 0 0 76 0, 0.0 2,-0.7 0, 0.0 -1,-0.1 -0.331 27.1-103.3 -72.0 158.2 17.3 24.2 41.5 52 52 A D + 0 0 72 1,-0.1 6,-0.0 6,-0.1 9,-0.0 -0.743 39.0 174.2 -81.7 112.3 19.7 23.9 38.6 53 53 A Q S S- 0 0 135 -2,-0.7 -1,-0.1 -3,-0.0 47,-0.0 0.003 78.9 -46.6-110.1 25.2 23.2 23.7 40.2 54 54 A G S S- 0 0 35 47,-0.1 46,-0.1 3,-0.1 4,-0.1 0.681 78.7-176.2 113.4 44.2 25.1 23.1 36.9 55 55 A L - 0 0 7 46,-0.2 46,-0.2 1,-0.1 3,-0.2 -0.193 36.9-121.8 -65.8 153.6 23.1 20.5 35.1 56 56 A I S S+ 0 0 47 44,-1.6 2,-0.5 1,-0.2 18,-0.4 0.770 108.4 40.3 -67.4 -23.8 24.2 19.0 31.8 57 57 A C > - 0 0 0 3,-0.1 3,-1.0 43,-0.1 -1,-0.2 -0.923 63.2-175.5-125.2 111.4 20.9 20.2 30.4 58 58 A H T 3 S+ 0 0 128 -2,-0.5 -1,-0.1 1,-0.2 -6,-0.1 0.631 82.1 65.2 -77.5 -9.0 19.6 23.6 31.6 59 59 A D T 3 S+ 0 0 133 15,-0.1 2,-0.3 2,-0.1 -1,-0.2 0.205 102.3 51.0 -98.9 14.6 16.3 23.1 29.6 60 60 A A S < S- 0 0 13 -3,-1.0 -3,-0.1 4,-0.1 3,-0.1 -0.981 89.9 -96.7-142.9 159.5 15.2 20.2 31.8 61 61 A F > - 0 0 79 -16,-0.5 3,-2.0 -2,-0.3 38,-0.2 -0.283 50.7 -84.9 -70.8 157.8 14.8 19.5 35.5 62 62 A C T 3 S+ 0 0 2 -15,-0.5 -15,-2.8 -12,-0.4 38,-0.2 -0.449 120.5 26.1 -57.5 129.4 17.4 17.7 37.6 63 63 A G T 3 S+ 0 0 0 36,-2.8 -17,-0.6 1,-0.3 -1,-0.3 0.488 93.3 131.6 90.5 2.6 16.6 13.9 37.2 64 64 A A B < -H 45 0C 0 -3,-2.0 35,-2.6 -19,-0.3 2,-0.4 -0.547 63.7-108.6 -79.0 157.3 15.0 14.3 33.8 65 65 A L E +F 98 0B 0 -21,-2.5 13,-2.6 33,-0.2 12,-2.3 -0.718 46.0 169.7 -79.9 131.3 15.9 12.2 30.8 66 66 A V E -FG 97 76B 0 31,-2.9 31,-2.9 -2,-0.4 2,-0.3 -0.808 13.1-156.5-130.3 173.7 17.9 14.1 28.1 67 67 A M E -FG 96 75B 0 8,-2.2 8,-2.5 -2,-0.2 2,-0.4 -0.960 11.7-145.0-144.7 167.2 19.8 13.1 25.0 68 68 A K E -F 95 0B 86 27,-2.3 27,-2.6 -2,-0.3 2,-0.5 -0.970 11.7-150.3-124.3 151.3 22.5 14.1 22.6 69 69 A I E > S-F 94 0B 1 4,-0.4 3,-1.7 -2,-0.4 22,-0.4 -0.979 72.3 -40.6-119.5 118.9 22.4 13.4 18.9 70 70 A G T 3 S- 0 0 21 23,-2.8 22,-0.2 -2,-0.5 25,-0.1 -0.462 124.7 -28.6 55.8-132.6 25.9 13.0 17.6 71 71 A N T 3 S+ 0 0 172 20,-0.3 -1,-0.2 -2,-0.1 3,-0.1 -0.092 103.5 134.5-107.8 33.8 27.9 15.7 19.4 72 72 A S < - 0 0 24 -3,-1.7 3,-0.1 1,-0.2 18,-0.1 -0.192 63.7 -93.3 -63.6 164.9 25.0 18.1 19.8 73 73 A G - 0 0 54 1,-0.1 -4,-0.4 -5,-0.1 -1,-0.2 -0.215 62.3 -69.4 -64.9 172.3 24.2 19.8 23.0 74 74 A T - 0 0 30 -18,-0.4 -6,-0.2 -6,-0.1 -1,-0.1 -0.460 48.7-164.0 -72.1 138.9 21.7 18.2 25.4 75 75 A I E -G 67 0B 31 -8,-2.5 -8,-2.2 -2,-0.1 2,-0.1 -0.995 24.9-112.9-122.8 126.8 18.1 18.1 24.2 76 76 A P E +G 66 0B 35 0, 0.0 -10,-0.2 0, 0.0 -16,-0.0 -0.396 36.9 167.8 -61.3 136.2 15.3 17.4 26.7 77 77 A V > + 0 0 2 -12,-2.3 3,-2.2 -33,-0.2 -11,-0.2 0.701 12.7 162.9-108.0 -44.1 13.5 14.1 26.3 78 78 A N T 3 S- 0 0 45 -13,-2.6 -33,-0.1 1,-0.3 3,-0.1 -0.343 79.6 -11.8 56.6-128.9 11.5 13.9 29.5 79 79 A T T 3 S- 0 0 2 1,-0.3 -49,-2.7 -50,-0.1 -1,-0.3 0.605 123.9 -81.8 -74.1 -12.3 8.7 11.3 29.1 80 80 A G E < -B 29 0A 14 -3,-2.2 2,-0.4 -51,-0.3 -1,-0.3 -0.837 38.1 -85.8 139.6-175.1 9.4 11.2 25.4 81 81 A L E -B 28 0A 23 -53,-1.2 -53,-2.4 -2,-0.3 2,-0.6 -0.981 24.3-146.5-136.9 139.4 8.9 12.8 22.0 82 82 A F E S- 0 0 35 -2,-0.4 -55,-0.2 -55,-0.2 -56,-0.1 -0.927 76.9 -28.2-117.3 112.9 6.1 12.3 19.5 83 83 A R E S+ 0 0 69 -2,-0.6 2,-0.3 1,-0.2 -56,-0.2 0.914 90.5 178.7 51.0 55.3 6.9 12.4 15.8 84 84 A W E -B 26 0A 56 -58,-2.7 -58,-2.8 -3,-0.1 2,-0.4 -0.648 22.3-161.5 -98.5 141.1 9.8 14.7 16.4 85 85 A V - 0 0 79 -2,-0.3 -60,-0.1 -60,-0.2 -61,-0.0 -0.964 19.2-127.1-122.5 140.2 12.2 16.2 14.0 86 86 A A - 0 0 15 -62,-0.4 -63,-0.2 -2,-0.4 3,-0.1 -0.431 29.8 -98.1 -82.0 156.8 15.7 17.7 14.9 87 87 A P > - 0 0 84 0, 0.0 3,-1.1 0, 0.0 -1,-0.1 -0.163 59.2 -70.6 -60.0 164.8 16.9 21.1 13.9 88 88 A N T 3 S+ 0 0 149 1,-0.2 3,-0.1 -66,-0.1 0, 0.0 -0.247 119.7 22.5 -52.8 148.5 19.2 21.5 10.9 89 89 A N T 3 S+ 0 0 141 1,-0.2 2,-0.5 -3,-0.1 -1,-0.2 0.763 89.2 121.4 63.2 24.7 22.7 20.2 11.4 90 90 A V < + 0 0 23 -3,-1.1 2,-0.3 -4,-0.1 -1,-0.2 -0.977 35.7 130.8-116.7 118.9 21.8 17.8 14.2 91 91 A Q + 0 0 84 -2,-0.5 -20,-0.3 -22,-0.4 2,-0.2 -0.993 20.5 65.1-162.7 158.1 22.6 14.2 13.3 92 92 A G E S-E 20 0B 19 -72,-2.6 -72,-2.6 -2,-0.3 -2,-0.0 -0.734 80.3 -9.9 119.6-174.1 24.3 11.1 14.5 93 93 A A E -E 19 0B 30 -74,-0.3 -23,-2.8 -2,-0.2 2,-0.5 -0.295 63.8-124.6 -60.9 140.4 24.0 8.4 17.2 94 94 A I E - F 0 69B 0 -76,-2.6 -78,-2.2 -25,-0.2 2,-0.5 -0.759 25.1-169.1 -87.1 126.2 21.5 9.1 20.0 95 95 A T E -EF 15 68B 24 -27,-2.6 -27,-2.3 -2,-0.5 2,-0.4 -0.983 10.5-147.5-114.8 129.3 22.9 8.9 23.4 96 96 A L E -EF 14 67B 0 -82,-2.9 -82,-2.9 -2,-0.5 2,-0.4 -0.802 21.4-179.0 -99.0 132.8 20.5 8.9 26.4 97 97 A I E - 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