==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=4-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER SUGAR BINDING PROTEIN 19-AUG-07 2R0F . COMPND 2 MOLECULE: CGL3 LECTIN; . SOURCE 2 ORGANISM_SCIENTIFIC: COPRINUS CINEREUS; . AUTHOR M.A.WAELTI,P.J.WALSER,S.THORE,A.GRUENLER,N.BAN,M.KUENZLER, . 326 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 15860.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 202 62.0 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 . 134 41.1 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 1.2 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 . 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 . 32 9.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 23 7.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 7 2.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 0.6 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 . 0 0 0 4 8 6 2 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 0 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 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 M 0 0 126 0, 0.0 152,-2.4 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0 122.7 61.4 -36.6 7.6 2 2 A F E -A 152 0A 116 150,-0.2 2,-0.3 148,-0.0 150,-0.2 -0.701 360.0-176.2 -95.8 144.5 62.8 -33.8 9.8 3 3 A H E -A 151 0A 26 148,-2.2 148,-2.9 -2,-0.3 2,-0.6 -0.989 23.7-132.4-138.7 146.8 65.5 -31.3 8.5 4 4 A I E -A 150 0A 69 -2,-0.3 2,-0.7 146,-0.2 146,-0.2 -0.903 23.2-166.5 -99.2 119.4 67.4 -28.5 10.2 5 5 A L E -A 149 0A 0 144,-2.8 144,-2.1 -2,-0.6 2,-0.1 -0.844 3.5-161.1-115.3 98.3 67.3 -25.4 8.1 6 6 A R E > -A 148 0A 148 -2,-0.7 3,-0.7 142,-0.2 129,-0.3 -0.427 35.4 -86.4 -76.7 148.7 69.8 -22.6 9.1 7 7 A L T 3 S+ 0 0 46 140,-2.5 129,-0.2 1,-0.2 -1,-0.1 -0.252 112.4 13.2 -55.4 132.7 69.5 -19.0 8.0 8 8 A E T 3 S+ 0 0 100 127,-2.3 2,-0.3 1,-0.3 -1,-0.2 0.908 107.9 104.0 65.6 45.2 71.0 -18.3 4.6 9 9 A S E < -F 135 0B 34 126,-1.1 126,-1.7 -3,-0.7 2,-0.4 -0.930 59.9-134.5-146.3 169.7 71.5 -21.9 3.6 10 10 A T E -F 134 0B 69 -2,-0.3 2,-0.4 124,-0.2 124,-0.2 -0.992 16.3-162.1-130.8 138.3 69.9 -24.5 1.4 11 11 A V E -F 133 0B 31 122,-2.6 122,-1.9 -2,-0.4 2,-0.3 -0.972 15.4-130.5-125.3 136.7 69.0 -28.1 2.3 12 12 A D E -F 132 0B 95 -2,-0.4 120,-0.3 120,-0.2 2,-0.1 -0.605 21.3-129.3 -82.8 139.7 68.3 -31.1 0.1 13 13 A L - 0 0 18 118,-2.5 -1,-0.1 -2,-0.3 118,-0.0 -0.355 25.9-113.5 -75.9 170.4 65.2 -33.1 0.8 14 14 A S S S- 0 0 76 1,-0.2 -1,-0.1 -2,-0.1 117,-0.0 0.584 94.2 -6.4 -82.1 -9.7 65.9 -36.9 1.0 15 15 A E S S- 0 0 91 115,-0.1 -1,-0.2 116,-0.0 3,-0.1 -0.941 95.3 -68.3-174.2 157.3 63.9 -37.4 -2.2 16 16 A P - 0 0 54 0, 0.0 2,-0.3 0, 0.0 115,-0.2 -0.278 62.4-100.8 -56.0 140.4 61.6 -35.4 -4.6 17 17 A L - 0 0 10 113,-2.7 113,-0.3 1,-0.1 3,-0.1 -0.491 40.8-136.6 -66.0 124.9 58.4 -34.3 -2.9 18 18 A K > - 0 0 112 -2,-0.3 3,-1.4 1,-0.2 87,-0.1 -0.293 39.2 -65.1 -78.5 167.4 55.6 -36.7 -4.0 19 19 A D T 3 S+ 0 0 100 1,-0.3 -1,-0.2 -2,-0.0 263,-0.1 -0.206 122.4 11.4 -53.9 139.6 52.1 -35.6 -5.0 20 20 A N T 3 S+ 0 0 29 1,-0.2 136,-0.5 -3,-0.1 -1,-0.3 0.760 90.6 160.8 61.9 27.7 50.1 -34.0 -2.2 21 21 A G < - 0 0 1 -3,-1.4 84,-2.7 134,-0.1 2,-0.4 -0.340 30.0-140.3 -73.0 162.7 53.2 -33.8 0.0 22 22 A I E -BC 104 154A 0 132,-2.2 132,-2.3 82,-0.2 2,-0.5 -0.993 12.5-166.9-129.7 129.9 53.2 -31.4 3.0 23 23 A I E -BC 103 153A 1 80,-2.3 80,-2.6 -2,-0.4 2,-0.5 -0.968 4.3-164.5-119.5 126.4 56.1 -29.2 4.2 24 24 A V E -BC 102 152A 5 128,-2.7 128,-2.1 -2,-0.5 2,-0.6 -0.932 5.0-160.7-112.3 125.0 56.1 -27.5 7.5 25 25 A F E -BC 101 151A 6 76,-2.8 76,-2.0 -2,-0.5 2,-0.5 -0.922 17.9-162.9-103.0 114.9 58.5 -24.7 8.4 26 26 A Q E -BC 100 150A 65 124,-3.5 124,-2.2 -2,-0.6 2,-0.2 -0.881 12.0-178.0-111.5 124.7 58.8 -24.2 12.2 27 27 A S - 0 0 8 72,-2.5 122,-0.1 -2,-0.5 3,-0.1 -0.707 21.2-154.3-107.3 158.6 60.1 -21.3 14.2 28 28 A D S S+ 0 0 102 120,-0.3 2,-0.3 -2,-0.2 70,-0.1 0.176 80.1 47.1-117.0 17.5 60.4 -20.9 17.9 29 29 A K - 0 0 129 70,-0.2 117,-0.4 117,-0.1 2,-0.4 -0.988 63.2-152.8-153.9 152.7 60.3 -17.1 17.9 30 30 A L + 0 0 55 -2,-0.3 2,-0.3 115,-0.2 115,-0.2 -0.998 13.5 172.7-132.1 131.5 58.2 -14.3 16.3 31 31 A D + 0 0 60 113,-2.0 4,-0.0 -2,-0.4 -2,-0.0 -0.847 6.5 171.1-140.9 100.0 59.3 -10.8 15.5 32 32 A L + 0 0 77 -2,-0.3 -1,-0.1 2,-0.0 3,-0.1 0.261 49.8 106.0 -92.2 11.7 56.9 -8.7 13.5 33 33 A E S S- 0 0 134 1,-0.1 32,-0.1 111,-0.0 33,-0.1 -0.583 83.2 -91.1 -91.6 153.2 59.0 -5.5 13.9 34 34 A P - 0 0 67 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 -0.313 54.3 -94.0 -61.0 144.9 61.1 -3.9 11.2 35 35 A S - 0 0 3 1,-0.1 106,-0.1 -3,-0.1 3,-0.0 -0.301 31.0-124.3 -57.6 141.2 64.7 -5.2 11.2 36 36 A P S S+ 0 0 102 0, 0.0 2,-0.5 0, 0.0 -1,-0.1 0.954 98.5 33.2 -52.8 -54.7 67.1 -2.9 13.2 37 37 A N - 0 0 110 103,-0.3 105,-0.2 1,-0.1 -2,-0.1 -0.905 65.4-158.7-108.6 131.5 69.4 -2.4 10.3 38 38 A L > - 0 0 61 -2,-0.5 4,-0.8 103,-0.1 5,-0.4 0.811 37.6-159.7 -74.0 -32.4 68.1 -2.2 6.7 39 39 A G T 4 - 0 0 29 101,-0.2 3,-0.5 1,-0.2 101,-0.1 0.028 38.1 -50.7 75.1 174.1 71.5 -3.0 5.3 40 40 A P T 4 S+ 0 0 100 0, 0.0 -1,-0.2 0, 0.0 100,-0.1 0.897 128.9 63.4 -49.4 -51.5 73.0 -2.5 1.9 41 41 A T T 4 S- 0 0 63 98,-0.3 -2,-0.2 1,-0.1 3,-0.1 0.886 90.6-146.3 -41.0 -55.8 70.1 -4.1 0.0 42 42 A G < + 0 0 39 -4,-0.8 2,-0.4 -3,-0.5 -1,-0.1 0.502 64.2 97.4 95.9 6.7 67.7 -1.4 1.3 43 43 A I S S- 0 0 78 -5,-0.4 2,-1.2 2,-0.1 -1,-0.2 -0.994 71.1-133.4-132.4 129.9 64.7 -3.8 1.5 44 44 A D + 0 0 4 -2,-0.4 2,-0.4 -3,-0.1 22,-0.3 -0.663 50.0 148.2 -82.1 97.9 63.4 -5.6 4.6 45 45 A N + 0 0 16 -2,-1.2 93,-1.6 19,-0.1 2,-0.4 -0.967 25.0 170.8-145.0 127.2 63.0 -9.1 3.3 46 46 A T E +GH 63 137B 1 17,-1.1 17,-2.6 -2,-0.4 2,-0.3 -0.971 22.5 177.3-124.8 140.9 63.2 -12.6 4.7 47 47 A N E -GH 62 136B 13 89,-3.2 89,-2.7 -2,-0.4 2,-0.4 -0.987 27.6-149.8-150.1 156.4 62.1 -15.6 2.7 48 48 A V E -GH 61 135B 4 13,-1.9 13,-2.6 -2,-0.3 2,-0.3 -0.941 25.6-161.5-120.9 148.9 61.6 -19.4 2.5 49 49 A N E -GH 60 134B 9 85,-2.3 85,-1.6 -2,-0.4 2,-0.5 -0.982 23.3-146.9-140.6 144.9 61.7 -21.3 -0.8 50 50 A L E -GH 59 133B 2 9,-2.4 9,-1.5 -2,-0.3 8,-1.3 -0.933 33.0-173.0-105.2 125.2 60.8 -24.5 -2.6 51 51 A I E -GH 57 132B 15 81,-2.8 80,-2.9 -2,-0.5 81,-1.7 -0.917 15.0-139.4-126.4 144.8 63.3 -25.4 -5.3 52 52 A N E > - H 0 130B 3 4,-2.3 3,-1.4 -2,-0.3 78,-0.2 -0.340 39.7 -91.5 -92.8 179.3 63.6 -28.0 -8.0 53 53 A A T 3 S+ 0 0 57 76,-0.5 77,-0.1 1,-0.3 75,-0.1 0.816 123.5 56.3 -59.3 -33.9 66.6 -30.0 -9.2 54 54 A K T 3 S- 0 0 144 2,-0.1 -1,-0.3 1,-0.1 74,-0.0 0.573 120.0-104.9 -77.5 -9.8 67.5 -27.5 -11.8 55 55 A G S < S+ 0 0 23 -3,-1.4 2,-0.3 1,-0.3 23,-0.2 0.541 72.5 141.8 98.4 5.8 67.7 -24.6 -9.4 56 56 A D - 0 0 18 21,-0.1 -4,-2.3 71,-0.1 2,-1.0 -0.619 54.1-125.8 -81.6 143.4 64.4 -22.9 -10.2 57 57 A V E -GI 51 75B 22 18,-2.6 18,-1.8 -2,-0.3 -6,-0.2 -0.782 25.0-175.7 -91.7 99.6 62.4 -21.5 -7.3 58 58 A L E S+ 0 0 5 -8,-1.3 67,-0.4 -2,-1.0 2,-0.3 0.842 75.2 12.9 -62.2 -38.6 58.9 -23.1 -7.7 59 59 A L E -G 50 0B 0 -9,-1.5 -9,-2.4 -3,-0.1 2,-0.4 -0.974 65.9-167.2-146.7 129.4 57.5 -21.1 -4.8 60 60 A H E -GI 49 73B 23 13,-2.2 13,-1.2 -2,-0.3 2,-0.5 -0.962 3.8-167.4-116.4 129.1 59.0 -18.1 -3.0 61 61 A I E -GI 48 72B 3 -13,-2.6 -13,-1.9 -2,-0.4 2,-0.4 -0.894 11.1-179.0-122.8 102.8 57.5 -16.9 0.3 62 62 A G E -GI 47 71B 0 9,-2.7 9,-2.6 -2,-0.5 2,-0.6 -0.812 17.8-151.7-106.4 141.4 58.7 -13.5 1.4 63 63 A I E -GI 46 70B 4 -17,-2.6 -17,-1.1 -2,-0.4 2,-0.7 -0.950 10.1-171.4-110.6 116.1 57.7 -11.6 4.5 64 64 A R E >>> + I 0 69B 25 5,-2.8 5,-2.0 -2,-0.6 4,-0.8 -0.839 7.7 176.4-112.5 92.2 57.8 -7.8 4.2 65 65 A R G >45S+ 0 0 21 -2,-0.7 3,-0.5 1,-0.2 -1,-0.2 0.881 81.1 50.7 -64.6 -40.2 57.3 -6.3 7.6 66 66 A R G 345S+ 0 0 121 -22,-0.3 -1,-0.2 1,-0.2 -21,-0.1 0.606 117.5 41.6 -74.8 -9.3 57.8 -2.7 6.5 67 67 A E G <45S- 0 0 82 -3,-0.7 -1,-0.2 -23,-0.2 -2,-0.2 0.432 105.0-128.3-112.5 -4.8 55.2 -3.2 3.8 68 68 A N T <<5 + 0 0 77 -4,-0.8 21,-1.3 -3,-0.5 2,-0.3 0.940 67.5 109.8 56.4 52.3 52.8 -5.3 5.8 69 69 A A E < -IJ 64 88B 8 -5,-2.0 -5,-2.8 19,-0.3 2,-0.4 -0.995 65.6-131.1-157.6 161.3 52.6 -8.1 3.3 70 70 A F E -IJ 63 87B 1 17,-2.2 17,-1.3 -2,-0.3 2,-0.5 -0.937 28.6-155.3-107.6 132.3 53.4 -11.6 2.2 71 71 A V E -IJ 62 86B 1 -9,-2.6 -9,-2.7 -2,-0.4 2,-0.4 -0.953 8.4-170.3-117.1 118.2 54.9 -11.9 -1.3 72 72 A F E +IJ 61 85B 1 13,-2.9 13,-2.0 -2,-0.5 2,-0.3 -0.870 23.2 137.3-105.8 141.8 54.5 -15.1 -3.3 73 73 A N E -I 60 0B 2 -13,-1.2 -13,-2.2 -2,-0.4 2,-0.3 -0.940 40.9-124.4-164.8 179.3 56.5 -15.6 -6.6 74 74 A S E - 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