==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER SUGAR BINDING PROTEIN 08-SEP-08 3EF2 . COMPND 2 MOLECULE: AGGLUTININ; . SOURCE 2 ORGANISM_SCIENTIFIC: MARASMIUS OREADES; . AUTHOR E.M.GRAHN,I.J.GOLDSTEIN,U.KRENGEL . 1168 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 44315.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 797 68.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 36 3.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 348 29.8 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 28 2.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 4 0.3 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 . 0 0.0 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 . 99 8.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 116 9.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 143 12.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 0.3 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 5 3 0 0 0 0 0 0 0 0 4 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 4 0 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 PARALLEL BRIDGES PER LADDER . 20 16 8 20 16 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 ANTIPARALLEL BRIDGES PER LADDER . 0 4 0 0 4 0 0 0 0 0 0 0 0 0 4 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 2 A S 0 0 86 0, 0.0 101,-0.1 0, 0.0 55,-0.0 0.000 360.0 360.0 360.0 153.8 12.9 37.6 8.8 2 3 A L - 0 0 6 99,-0.5 2,-0.2 1,-0.1 55,-0.1 -0.358 360.0-123.0 -52.7 134.2 11.2 40.8 7.6 3 4 A R - 0 0 102 1,-0.1 46,-0.2 47,-0.0 -1,-0.1 -0.549 24.9 -92.8 -85.7 152.1 10.6 40.3 3.8 4 5 A R S S+ 0 0 53 -2,-0.2 2,-0.3 44,-0.1 46,-0.2 -0.321 79.7 91.2 -50.3 134.9 11.8 42.6 1.1 5 6 A G E S-A 49 0A 0 44,-1.4 44,-3.1 179,-0.1 2,-0.4 -0.955 75.8 -57.9 162.4-170.8 9.1 45.1 0.3 6 7 A I E -A 48 0A 0 -2,-0.3 149,-3.1 42,-0.2 150,-0.8 -0.864 50.3-172.0-103.8 130.4 7.5 48.5 0.9 7 8 A Y E -AB 47 154A 7 40,-2.7 40,-2.3 -2,-0.4 2,-0.6 -0.931 29.3-148.0-129.0 145.6 6.4 49.4 4.5 8 9 A H E -AB 46 153A 3 145,-2.4 145,-2.6 -2,-0.3 2,-0.7 -0.977 31.5-149.2-103.3 118.1 4.4 52.1 6.4 9 10 A I E - B 0 152A 0 -2,-0.6 9,-2.7 36,-0.5 2,-0.4 -0.856 17.0-173.7-107.5 111.6 6.2 52.0 9.7 10 11 A E E -CB 17 151A 35 141,-2.3 141,-3.3 -2,-0.7 7,-0.2 -0.879 26.7-113.9-115.2 126.9 3.9 53.0 12.6 11 12 A N E - B 0 150A 8 5,-3.2 139,-0.3 -2,-0.4 5,-0.1 -0.240 18.9-137.2 -59.4 144.5 4.9 53.5 16.2 12 13 A A S S+ 0 0 29 137,-2.5 -1,-0.1 134,-0.6 138,-0.1 0.730 98.1 41.4 -77.2 -21.0 3.5 50.9 18.7 13 14 A G S S+ 0 0 46 133,-0.6 -1,-0.2 136,-0.3 134,-0.1 0.813 123.5 19.6 -95.8 -36.7 2.5 53.4 21.4 14 15 A V S S- 0 0 34 132,-0.2 2,-2.6 2,-0.2 -1,-0.3 -0.959 85.5-103.7-137.0 150.2 1.1 56.4 19.4 15 16 A P S S+ 0 0 92 0, 0.0 2,-0.4 0, 0.0 21,-0.4 -0.361 73.7 128.0 -78.9 64.1 -0.4 56.6 15.9 16 17 A S - 0 0 1 -2,-2.6 -5,-3.2 -5,-0.1 2,-0.3 -0.975 45.0-149.8-119.8 134.9 2.7 58.3 14.3 17 18 A A E -CD 10 34A 0 17,-3.2 17,-1.3 -2,-0.4 2,-0.6 -0.669 30.4 -97.1 -99.7 155.7 4.4 57.0 11.2 18 19 A I E - D 0 33A 0 -9,-2.7 2,-0.4 -2,-0.3 -9,-0.3 -0.647 53.5-175.5 -71.1 120.8 8.1 57.3 10.3 19 20 A D E - D 0 32A 9 13,-2.6 13,-3.0 -2,-0.6 2,-0.8 -0.962 30.8-137.4-130.9 126.8 8.0 60.3 7.9 20 21 A L E > - D 0 31A 0 24,-2.5 3,-2.8 -2,-0.4 11,-0.2 -0.800 49.0-105.6 -82.9 116.3 10.8 61.9 5.9 21 22 A K G > S- 0 0 94 9,-2.4 3,-1.7 -2,-0.8 64,-0.1 -0.154 90.6 -16.3 -59.7 123.6 10.1 65.6 6.5 22 23 A D G 3 S- 0 0 130 1,-0.3 -1,-0.3 3,-0.0 3,-0.1 0.590 106.8 -89.1 61.6 11.9 8.4 67.3 3.5 23 24 A G G < S+ 0 0 3 -3,-2.8 -1,-0.3 1,-0.2 -2,-0.2 0.681 75.2 174.1 61.7 19.4 9.6 64.3 1.4 24 25 A S < - 0 0 36 -3,-1.7 -1,-0.2 1,-0.1 5,-0.1 -0.311 35.1-155.2 -69.7 134.9 12.8 66.3 0.9 25 26 A S + 0 0 67 -3,-0.1 -1,-0.1 -2,-0.1 62,-0.1 0.480 56.0 123.0 -81.9 -2.9 15.8 64.6 -1.0 26 27 A S S > S- 0 0 72 1,-0.1 3,-1.6 60,-0.1 2,-0.2 -0.312 74.2-106.1 -58.8 136.1 18.3 67.0 0.8 27 28 A D T 3 S+ 0 0 63 1,-0.2 59,-0.2 59,-0.1 -1,-0.1 -0.463 107.6 26.7 -56.5 130.5 21.0 65.2 2.8 28 29 A G T 3 S+ 0 0 28 57,-2.4 -1,-0.2 1,-0.3 58,-0.2 0.526 77.8 157.3 92.5 4.1 20.3 65.6 6.5 29 30 A T E < -E 85 0A 12 -3,-1.6 56,-2.7 56,-0.8 -1,-0.3 -0.456 48.7-110.5 -59.4 126.3 16.5 66.0 6.1 30 31 A P E -E 84 0A 58 0, 0.0 -9,-2.4 0, 0.0 2,-0.5 -0.316 18.5-141.0 -65.9 143.0 15.0 65.0 9.5 31 32 A I E +D 20 0A 3 52,-2.3 103,-1.0 103,-0.3 52,-0.3 -0.932 37.0 172.3 -99.1 127.0 13.0 61.8 9.8 32 33 A V E -DF 19 133A 6 -13,-3.0 -13,-2.6 -2,-0.5 2,-0.3 -0.876 38.5 -96.4-135.5 161.0 10.1 62.5 12.2 33 34 A G E +DF 18 132A 0 99,-2.5 98,-2.8 -2,-0.3 99,-0.8 -0.616 48.8 169.2 -77.5 141.3 6.9 61.1 13.7 34 35 A W E -D 17 0A 86 -17,-1.3 -17,-3.2 -2,-0.3 96,-0.1 -0.982 34.9-105.5-154.8 143.1 3.8 62.2 11.8 35 36 A Q - 0 0 122 -2,-0.3 2,-0.3 -19,-0.2 -19,-0.1 -0.253 38.6-159.5 -67.4 163.0 0.1 61.4 11.7 36 37 A F - 0 0 44 -21,-0.4 -1,-0.1 6,-0.0 6,-0.0 -0.879 19.8-126.0-144.8 163.1 -1.3 59.4 8.8 37 38 A T > - 0 0 88 -2,-0.3 3,-0.7 3,-0.0 -2,-0.0 -0.971 30.9-131.7-117.7 115.3 -4.5 58.5 7.0 38 39 A P T 3 S+ 0 0 85 0, 0.0 3,-0.1 0, 0.0 0, 0.0 -0.289 88.5 27.9 -61.4 151.3 -5.2 54.8 6.6 39 40 A D T 3 S+ 0 0 95 1,-0.3 2,-0.3 225,-0.1 152,-0.2 0.809 104.8 94.2 64.7 31.0 -6.2 53.6 3.1 40 41 A T S < S- 0 0 46 -3,-0.7 2,-0.8 151,-0.1 -1,-0.3 -0.896 88.2 -97.3-132.1 167.9 -4.3 56.4 1.3 41 42 A I - 0 0 9 -2,-0.3 2,-1.1 -3,-0.1 3,-0.1 -0.845 33.8-150.8 -80.2 115.2 -0.9 56.7 -0.2 42 43 A N > - 0 0 21 -2,-0.8 3,-2.2 1,-0.2 4,-0.1 -0.797 13.2-158.3 -90.6 94.6 1.0 58.4 2.7 43 44 A W T 3 S+ 0 0 97 -2,-1.1 3,-0.3 1,-0.3 22,-0.3 0.687 81.8 33.6 -55.3 -33.8 3.4 60.1 0.3 44 45 A H T 3 S+ 0 0 49 1,-0.2 -24,-2.5 21,-0.1 -1,-0.3 0.332 110.7 66.4-104.0 7.2 6.4 60.8 2.7 45 46 A Q < + 0 0 8 -3,-2.2 -36,-0.5 -26,-0.2 2,-0.4 0.066 68.5 107.1-124.4 21.5 5.9 57.7 4.8 46 47 A L E -A 8 0A 0 -3,-0.3 18,-2.5 -38,-0.1 2,-0.4 -0.896 44.2-169.3-110.6 134.1 6.7 54.7 2.6 47 48 A W E -AG 7 63A 0 -40,-2.3 -40,-2.7 -2,-0.4 2,-0.7 -0.982 15.7-146.5-129.7 123.7 10.0 52.8 3.0 48 49 A L E -AG 6 62A 4 14,-3.1 14,-2.6 -2,-0.4 2,-0.6 -0.812 17.0-152.6 -90.6 114.4 11.5 50.1 0.7 49 50 A A E -AG 5 61A 0 -44,-3.1 -44,-1.4 -2,-0.7 12,-0.2 -0.838 11.2-170.4 -88.7 115.8 13.4 47.5 2.8 50 51 A E E - G 0 60A 10 10,-1.9 10,-1.8 -2,-0.6 2,-0.1 -0.947 19.9-130.8-107.8 116.7 16.2 45.9 0.8 51 52 A P E - G 0 59A 53 0, 0.0 8,-0.2 0, 0.0 5,-0.1 -0.434 17.2-128.9 -66.5 137.9 17.9 42.8 2.5 52 53 A I > - 0 0 20 6,-2.7 3,-1.7 3,-0.4 6,-0.3 -0.768 30.1-111.3 -86.6 123.9 21.7 42.9 2.6 53 54 A P T 3 S- 0 0 98 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 -0.322 95.5 -0.6 -57.3 133.3 23.2 39.6 1.2 54 55 A N T 3 S+ 0 0 124 1,-0.1 2,-0.4 -3,-0.0 -2,-0.0 0.653 104.6 104.2 56.4 21.4 24.8 37.6 4.0 55 56 A V S X S- 0 0 38 -3,-1.7 3,-1.5 3,-0.2 -3,-0.4 -0.890 76.3-128.7-124.2 100.9 24.1 40.0 6.8 56 57 A A T 3 S- 0 0 82 -2,-0.4 3,-0.1 1,-0.3 0, 0.0 -0.162 78.1 -7.6 -57.4 135.1 21.2 38.4 8.6 57 58 A D T 3 S+ 0 0 36 1,-0.2 44,-2.4 43,-0.1 2,-0.4 0.708 102.0 130.9 57.0 28.2 18.0 40.5 9.3 58 59 A T E < + H 0 100A 2 -3,-1.5 -6,-2.7 -6,-0.3 2,-0.3 -0.917 28.6 166.0-124.7 139.0 19.8 43.6 8.0 59 60 A F E -GH 51 99A 4 40,-2.5 40,-2.6 -2,-0.4 2,-0.3 -0.948 36.6-122.6-144.9 152.6 18.4 46.1 5.5 60 61 A T E -G 50 0A 0 -10,-1.8 -10,-1.9 30,-0.3 2,-0.5 -0.781 28.8-144.7 -89.0 153.1 18.7 49.5 3.9 61 62 A L E -G 49 0A 0 36,-0.4 9,-2.7 -2,-0.3 2,-0.5 -0.949 17.2-170.4-123.0 108.1 15.5 51.6 4.3 62 63 A C E -GI 48 69A 4 -14,-2.6 -14,-3.1 -2,-0.5 2,-0.4 -0.859 24.7-124.9-105.4 123.1 14.8 53.8 1.2 63 64 A N E > -G 47 0A 0 5,-2.9 4,-2.4 -2,-0.5 -16,-0.2 -0.563 18.2-143.7 -64.5 125.4 12.2 56.4 1.2 64 65 A L T 4 S+ 0 0 0 -18,-2.5 171,-2.0 -2,-0.4 170,-1.0 0.862 95.6 41.9 -60.8 -40.9 9.9 55.6 -1.8 65 66 A F T 4 S+ 0 0 50 -19,-0.4 169,-0.7 -22,-0.3 -1,-0.2 0.937 124.6 30.6 -74.1 -50.2 9.3 59.3 -2.6 66 67 A S T 4 S- 0 0 6 2,-0.2 -2,-0.2 168,-0.1 -1,-0.1 0.715 87.9-136.7 -84.4 -23.3 12.8 60.8 -2.1 67 68 A G < + 0 0 21 -4,-2.4 21,-0.3 1,-0.3 2,-0.2 0.518 65.2 124.2 73.6 4.7 15.0 57.9 -3.1 68 69 A T - 0 0 9 -5,-0.2 -5,-2.9 19,-0.1 2,-0.3 -0.568 57.5-116.5 -98.9 163.7 17.2 58.8 -0.0 69 70 A Y E -IJ 62 86A 23 17,-3.4 17,-1.6 -7,-0.2 2,-0.2 -0.744 21.3-105.0-108.5 144.8 18.1 56.4 2.8 70 71 A M E - J 0 85A 0 -9,-2.7 2,-0.4 -2,-0.3 -9,-0.3 -0.499 50.2-175.1 -61.9 128.2 17.4 56.3 6.6 71 72 A D E - J 0 84A 5 13,-2.3 13,-2.5 -2,-0.2 2,-0.7 -0.994 29.0-137.2-141.3 124.2 20.8 57.4 8.0 72 73 A L E > - J 0 83A 0 24,-2.6 3,-2.7 -2,-0.4 11,-0.2 -0.775 45.9-104.6 -84.1 119.5 22.1 57.6 11.6 73 74 A Y G > S- 0 0 104 9,-2.9 3,-1.7 -2,-0.7 9,-0.1 -0.168 90.9 -23.0 -59.0 115.4 24.0 60.8 11.7 74 75 A N G 3 S- 0 0 111 1,-0.3 -1,-0.3 -2,-0.1 22,-0.0 0.637 105.7 -87.8 57.1 18.4 27.8 60.1 11.7 75 76 A G G < S+ 0 0 19 -3,-2.7 -1,-0.3 1,-0.2 -2,-0.2 0.658 73.3 173.8 58.2 19.8 26.9 56.6 13.1 76 77 A S < - 0 0 28 -3,-1.7 -1,-0.2 1,-0.1 5,-0.1 -0.328 32.8-154.3 -64.3 134.8 27.0 58.0 16.6 77 78 A S + 0 0 73 39,-0.1 -1,-0.1 2,-0.1 2,-0.1 0.394 57.4 122.3 -83.1 1.0 25.9 55.7 19.5 78 79 A E S > S- 0 0 139 1,-0.1 3,-1.5 59,-0.1 58,-0.2 -0.433 74.8-108.1 -63.7 133.9 25.0 58.7 21.6 79 80 A A T 3 S+ 0 0 49 1,-0.2 58,-0.3 -2,-0.1 -1,-0.1 -0.455 106.8 32.2 -59.5 133.3 21.4 58.7 22.8 80 81 A G T 3 S+ 0 0 28 56,-2.5 -1,-0.2 1,-0.3 57,-0.2 0.474 80.4 157.5 95.7 5.4 19.5 61.4 20.8 81 82 A T E < -K 136 0A 14 -3,-1.5 55,-2.8 55,-1.0 -1,-0.3 -0.404 49.1 -99.3 -67.3 134.5 21.6 61.1 17.6 82 83 A A E -K 135 0A 37 53,-0.2 -9,-2.9 -2,-0.1 2,-0.5 -0.197 26.1-154.9 -56.6 138.3 19.8 62.5 14.5 83 84 A V E + J 0 72A 2 51,-1.1 -52,-2.3 -52,-0.3 2,-0.3 -0.991 32.1 162.6-111.5 119.5 18.1 60.0 12.2 84 85 A N E -EJ 30 71A 16 -13,-2.5 -13,-2.3 -2,-0.5 2,-0.3 -0.868 44.7 -98.2-133.3 162.9 17.9 61.7 8.7 85 86 A G E +EJ 29 70A 0 -56,-2.7 -57,-2.4 -2,-0.3 -56,-0.8 -0.695 49.7 171.8 -78.0 138.6 17.3 61.0 5.0 86 87 A W E - 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