==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=24-JUL-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER SUGAR BINDING PROTEIN 02-NOV-09 3KIF . COMPND 2 MOLECULE: 5-BLADED -PROPELLER LECTIN; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR O.DYM,D.S.TAWFIK,I.YADID,ISRAEL STRUCTURAL PROTEOMICS CENTER . 900 10 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 38820.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 568 63.1 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 . 323 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 . 20 2.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 20 2.2 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 0.2 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 . 63 7.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 106 11.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 37 4.1 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 10 0 2 1 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 . 1 1 18 16 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 ANTIPARALLEL BRIDGES PER LADDER . 0 0 20 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 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 10 A D > 0 0 87 0, 0.0 4,-1.5 0, 0.0 188,-0.1 0.000 360.0 360.0 360.0 144.6 -70.7 11.7 -28.7 2 11 A S H > + 0 0 1 186,-2.4 4,-2.5 1,-0.2 5,-0.2 0.873 360.0 58.2 -78.6 -32.5 -71.9 8.6 -27.0 3 12 A D H > S+ 0 0 103 185,-0.3 4,-0.7 1,-0.2 -1,-0.2 0.845 109.9 41.7 -70.5 -33.5 -73.0 6.6 -30.0 4 13 A N H > S+ 0 0 78 2,-0.2 4,-2.1 3,-0.2 -1,-0.2 0.804 111.1 56.0 -85.8 -28.0 -69.6 6.5 -31.7 5 14 A W H >X S+ 0 0 15 -4,-1.5 4,-1.1 2,-0.2 3,-0.7 0.986 111.4 44.8 -52.0 -58.6 -67.8 5.9 -28.4 6 15 A M H 3< S+ 0 0 20 -4,-2.5 -2,-0.2 1,-0.3 -1,-0.2 0.798 107.7 63.2 -54.4 -30.3 -70.0 2.9 -28.1 7 16 A G H 3< S+ 0 0 59 -4,-0.7 -1,-0.3 1,-0.2 -2,-0.2 0.920 111.1 32.7 -62.1 -45.5 -69.1 2.4 -31.7 8 17 A R H << S+ 0 0 212 -4,-2.1 -1,-0.2 -3,-0.7 -2,-0.2 0.366 103.6 92.8 -92.8 0.8 -65.4 1.9 -31.0 9 18 A A S < S- 0 0 16 -4,-1.1 2,-0.5 -3,-0.2 206,-0.2 -0.407 85.5-100.0 -82.5 170.5 -65.9 0.2 -27.6 10 19 A K E -A 214 0A 113 204,-2.7 204,-1.3 -2,-0.1 2,-1.2 -0.821 22.9-136.2 -92.5 130.0 -66.1 -3.5 -27.2 11 20 A E E +A 213 0A 59 -2,-0.5 37,-0.4 202,-0.2 202,-0.2 -0.752 35.3 164.4 -83.4 101.0 -69.6 -5.0 -26.8 12 21 A I E + 0 0 1 200,-1.8 35,-0.4 -2,-1.2 2,-0.3 0.433 60.9 34.3-100.7 -4.1 -68.9 -7.4 -24.1 13 22 A G E -A 212 0A 3 199,-1.5 199,-1.5 33,-0.1 35,-0.1 -0.996 56.3-171.1-143.3 152.4 -72.6 -8.1 -23.1 14 23 A N + 0 0 97 1,-0.4 2,-0.3 34,-0.3 197,-0.2 0.446 59.9 2.3-133.4 17.8 -75.8 -8.3 -25.0 15 24 A G S S+ 0 0 40 195,-0.2 -1,-0.4 0, 0.0 195,-0.1 -0.828 105.6 41.0 170.8 146.7 -79.1 -8.5 -23.1 16 25 A G S S+ 0 0 29 -2,-0.3 4,-0.1 -3,-0.1 195,-0.1 0.531 76.0 109.7 80.1 7.4 -80.2 -8.5 -19.5 17 26 A W > + 0 0 15 193,-1.6 3,-1.0 1,-0.2 194,-0.1 0.808 67.6 63.7 -84.1 -26.2 -77.8 -5.8 -18.5 18 27 A D T 3 S+ 0 0 58 1,-0.2 -1,-0.2 192,-0.1 193,-0.1 0.804 90.6 68.4 -59.7 -29.5 -80.6 -3.2 -17.9 19 28 A Q T 3 + 0 0 103 191,-0.1 17,-0.3 -3,-0.1 -1,-0.2 0.587 69.8 111.3 -84.5 -0.2 -82.2 -5.0 -15.1 20 29 A F < - 0 0 13 -3,-1.0 15,-0.2 1,-0.2 3,-0.1 -0.415 56.2-151.7 -77.1 142.1 -79.7 -4.8 -12.4 21 30 A Q S S+ 0 0 108 13,-2.8 2,-0.3 1,-0.3 -1,-0.2 0.810 87.5 9.0 -73.3 -35.2 -80.3 -2.7 -9.3 22 31 A F E -D 34 0B 35 12,-0.9 12,-1.8 2,-0.0 -1,-0.3 -0.984 59.2-178.4-147.4 149.8 -76.6 -2.2 -9.0 23 32 A L E +D 33 0B 6 -2,-0.3 2,-0.3 10,-0.2 10,-0.2 -0.793 29.9 127.5-155.7 106.4 -73.5 -2.9 -11.1 24 33 A F E -D 32 0B 24 8,-2.1 8,-2.9 -2,-0.2 2,-0.3 -0.910 45.6-107.4-155.5 170.9 -70.0 -2.0 -9.9 25 34 A F E -D 31 0B 21 173,-0.3 47,-0.4 -2,-0.3 6,-0.2 -0.846 16.0-137.5-111.2 145.8 -66.4 -3.4 -9.3 26 35 A D > - 0 0 11 4,-2.0 3,-1.6 -2,-0.3 52,-0.0 -0.422 44.7 -95.5 -76.2 174.2 -64.5 -4.3 -6.1 27 36 A P T 3 S+ 0 0 43 0, 0.0 -1,-0.0 0, 0.0 -2,-0.0 0.739 123.2 60.1 -67.5 -18.3 -60.8 -3.1 -6.1 28 37 A N T 3 S- 0 0 129 2,-0.1 -3,-0.0 48,-0.0 0, 0.0 0.365 120.5-103.1 -88.9 7.2 -59.6 -6.6 -7.3 29 38 A G S < S+ 0 0 20 -3,-1.6 2,-0.3 1,-0.3 172,-0.0 0.568 72.6 142.9 86.0 10.5 -61.6 -6.3 -10.6 30 39 A Y - 0 0 76 13,-0.1 -4,-2.0 11,-0.0 2,-0.5 -0.635 46.8-129.2 -80.6 148.5 -64.5 -8.6 -9.7 31 40 A L E -DE 25 42B 0 11,-2.0 11,-1.2 -2,-0.3 2,-0.4 -0.816 20.3-163.6 -98.2 131.3 -67.9 -7.5 -11.0 32 41 A Y E +DE 24 41B 1 -8,-2.9 -8,-2.1 -2,-0.5 2,-0.3 -0.938 8.4 179.5-115.5 143.2 -70.9 -7.3 -8.6 33 42 A A E -DE 23 40B 0 7,-1.7 7,-2.4 -2,-0.4 2,-0.5 -0.995 16.8-150.2-136.9 136.2 -74.5 -7.1 -9.7 34 43 A V E +DE 22 39B 0 -12,-1.8 -13,-2.8 -2,-0.3 -12,-0.9 -0.963 30.6 152.8-105.3 127.8 -77.8 -6.9 -7.7 35 44 A S E > + E 0 38B 8 3,-1.7 3,-2.5 -2,-0.5 -15,-0.1 -0.969 61.6 8.2-150.3 152.1 -80.8 -8.4 -9.3 36 45 A N T 3 S- 0 0 129 -2,-0.3 28,-0.1 1,-0.3 3,-0.1 0.887 130.9 -58.2 38.9 54.6 -84.0 -10.0 -7.9 37 46 A D T 3 S+ 0 0 55 1,-0.2 27,-1.5 26,-0.1 2,-0.3 0.621 116.0 116.4 53.8 17.1 -83.0 -8.8 -4.4 38 47 A K E < -E 35 0B 63 -3,-2.5 -3,-1.7 25,-0.2 2,-0.4 -0.825 61.2-131.7-114.6 156.2 -79.8 -10.9 -4.7 39 48 A L E -EF 34 60B 0 21,-1.3 21,-1.8 -2,-0.3 20,-0.6 -0.896 25.6-172.9-102.4 129.7 -75.9 -10.1 -4.8 40 49 A Y E -EF 33 58B 36 -7,-2.4 -7,-1.7 -2,-0.4 2,-0.3 -0.922 4.7-168.1-123.9 146.3 -73.7 -11.7 -7.5 41 50 A K E +EF 32 57B 70 16,-1.8 16,-2.4 -2,-0.3 2,-0.2 -0.990 23.4 118.5-139.9 143.9 -69.9 -11.8 -8.1 42 51 A A E -E 31 0B 12 -11,-1.2 -11,-2.0 -2,-0.3 14,-0.1 -0.789 61.7 -66.7 170.9 144.7 -67.6 -12.9 -11.0 43 52 A S - 0 0 21 -13,-0.2 -13,-0.1 -2,-0.2 3,-0.1 -0.122 65.1 -97.4 -27.1 136.2 -64.9 -11.7 -13.5 44 53 A P - 0 0 14 0, 0.0 2,-0.2 0, 0.0 562,-0.2 -0.251 46.4 -97.6 -57.4 150.8 -66.2 -9.3 -16.1 45 54 A P - 0 0 0 0, 0.0 3,-0.1 0, 0.0 560,-0.1 -0.619 26.2-159.3 -69.6 141.5 -67.2 -10.9 -19.4 46 55 A Q + 0 0 69 -2,-0.2 2,-0.3 1,-0.1 -33,-0.1 0.474 69.8 11.7 -94.2 -5.9 -64.6 -10.5 -22.0 47 56 A S S > S- 0 0 23 -35,-0.4 3,-1.8 1,-0.1 -35,-0.2 -0.994 81.9 -89.9-163.1 173.3 -67.0 -11.1 -24.8 48 57 A D T 3 S+ 0 0 80 -37,-0.4 -34,-0.3 -2,-0.3 -1,-0.1 0.796 116.6 54.0 -52.6 -41.8 -70.6 -11.4 -26.2 49 58 A T T 3 S+ 0 0 78 555,-0.1 2,-0.7 -36,-0.1 -1,-0.3 0.325 77.8 107.4 -83.9 4.2 -70.8 -15.2 -25.6 50 59 A D < - 0 0 11 -3,-1.8 2,-2.2 -38,-0.2 3,-0.2 -0.748 64.2-147.0 -85.8 115.2 -69.9 -15.1 -21.9 51 60 A N >> + 0 0 97 -2,-0.7 4,-2.5 1,-0.2 3,-0.6 -0.505 25.8 176.5 -83.1 80.4 -73.1 -15.9 -20.0 52 61 A W H 3> S+ 0 0 3 -2,-2.2 4,-0.9 1,-0.3 -1,-0.2 0.823 70.2 50.5 -60.5 -42.8 -72.0 -13.7 -17.2 53 62 A I H 34 S+ 0 0 71 -3,-0.2 3,-0.3 2,-0.2 -1,-0.3 0.861 112.8 45.8 -67.6 -35.0 -75.2 -14.1 -15.1 54 63 A A H <4 S+ 0 0 79 -3,-0.6 -2,-0.2 1,-0.2 -1,-0.2 0.931 112.9 53.5 -68.3 -38.4 -75.3 -17.9 -15.2 55 64 A R H < S+ 0 0 67 -4,-2.5 -1,-0.2 2,-0.1 -2,-0.2 0.671 92.2 99.6 -68.5 -17.9 -71.6 -17.9 -14.5 56 65 A A < - 0 0 14 -4,-0.9 2,-0.3 -3,-0.3 -14,-0.2 -0.383 67.5-126.0 -92.8 152.3 -71.9 -15.8 -11.4 57 66 A T E -F 41 0B 89 -16,-2.4 -16,-1.8 -2,-0.1 2,-1.3 -0.663 15.8-131.4 -92.6 140.4 -71.9 -16.8 -7.7 58 67 A E E +F 40 0B 92 -2,-0.3 -18,-0.2 -18,-0.2 35,-0.1 -0.703 35.7 162.6 -89.6 93.4 -74.6 -15.7 -5.4 59 68 A I E + 0 0 21 -2,-1.3 2,-0.4 -20,-0.6 34,-0.3 0.647 62.5 63.4 -76.2 -14.8 -72.7 -14.4 -2.4 60 69 A G E -F 39 0B 1 -21,-1.8 -21,-1.3 -3,-0.1 -1,-0.1 -0.965 62.0-164.1-129.4 126.0 -75.8 -12.5 -1.2 61 70 A S - 0 0 106 -2,-0.4 2,-0.3 1,-0.2 -1,-0.1 0.896 58.9 -36.4 -84.5 -50.6 -79.1 -14.1 -0.1 62 71 A G S S+ 0 0 43 -24,-0.1 -1,-0.2 2,-0.0 -24,-0.1 -0.958 104.5 60.1-163.2 173.1 -81.9 -11.5 0.1 63 72 A G > + 0 0 20 -2,-0.3 3,-2.9 -3,-0.1 -25,-0.2 0.123 65.8 120.3 93.4 -19.8 -82.4 -7.8 1.0 64 73 A W G > + 0 0 8 -27,-1.5 3,-1.0 1,-0.3 -26,-0.1 0.704 66.3 58.5 -64.7 -24.7 -80.0 -6.5 -1.6 65 74 A S G 3 S+ 0 0 43 1,-0.2 -1,-0.3 -30,-0.1 -27,-0.1 0.638 93.8 71.9 -70.4 -14.5 -82.5 -4.4 -3.5 66 75 A G G < S+ 0 0 37 -3,-2.9 17,-0.4 -29,-0.1 2,-0.4 0.407 72.5 99.1 -89.4 -0.8 -83.2 -2.5 -0.4 67 76 A F < - 0 0 11 -3,-1.0 15,-0.2 1,-0.2 3,-0.1 -0.734 54.9-161.9 -86.1 128.9 -79.8 -0.6 -0.3 68 77 A K S S+ 0 0 106 13,-2.3 2,-0.4 -2,-0.4 -1,-0.2 0.895 85.5 21.0 -73.3 -43.0 -79.9 3.0 -1.6 69 78 A F E +G 81 0C 26 12,-0.7 12,-2.5 43,-0.1 2,-0.3 -0.974 64.5 170.0-124.9 145.8 -76.1 2.9 -2.0 70 79 A L E +G 80 0C 5 -2,-0.4 2,-0.3 10,-0.2 10,-0.2 -0.882 24.5 135.4-153.0 110.7 -73.8 -0.2 -2.3 71 80 A F E -G 79 0C 25 8,-2.4 8,-3.0 -2,-0.3 2,-0.3 -0.992 46.4-100.3-164.6 162.1 -70.3 0.4 -3.3 72 81 A F E -G 78 0C 22 -47,-0.4 6,-0.2 -2,-0.3 43,-0.2 -0.709 16.5-142.0-103.0 131.2 -66.7 -0.6 -2.5 73 82 A H > - 0 0 27 4,-2.8 3,-2.0 -2,-0.3 45,-0.0 -0.557 38.5-109.3 -70.8 147.5 -64.0 1.3 -0.5 74 83 A P T 3 S+ 0 0 50 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.715 117.6 65.9 -50.9 -18.5 -60.4 0.8 -2.2 75 84 A N T 3 S- 0 0 85 2,-0.1 -2,-0.0 1,-0.0 -3,-0.0 0.298 123.5-101.7 -91.9 12.1 -59.5 -1.4 0.8 76 85 A G S < S+ 0 0 18 -3,-2.0 2,-0.2 1,-0.3 -48,-0.0 0.363 76.8 138.4 88.4 -8.2 -62.0 -4.0 -0.2 77 86 A Y - 0 0 89 13,-0.1 -4,-2.8 1,-0.0 2,-0.5 -0.527 50.3-132.0 -68.2 137.1 -64.7 -3.1 2.4 78 87 A L E -GH 72 89C 0 11,-2.7 11,-1.7 -6,-0.2 2,-0.4 -0.806 21.5-163.4 -84.5 120.6 -68.4 -3.0 1.2 79 88 A Y E -GH 71 88C 5 -8,-3.0 -8,-2.4 -2,-0.5 2,-0.4 -0.873 11.4-179.7-104.7 140.5 -70.2 0.2 2.2 80 89 A A E -GH 70 87C 0 7,-1.6 7,-3.3 -2,-0.4 2,-0.5 -0.998 20.9-148.6-140.8 145.3 -74.0 0.3 2.1 81 90 A V E +GH 69 86C 0 -12,-2.5 -13,-2.3 -2,-0.4 -12,-0.7 -0.968 19.5 173.9-110.7 129.3 -76.8 2.7 2.9 82 91 A R E > - 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