==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=2-AUG-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER SUGAR BINDING PROTEIN 29-JUN-10 3AK0 . COMPND 2 MOLECULE: ANCESTRAL CONGERIN CON-ANC; . SOURCE 2 SYNTHETIC: YES; . AUTHOR A.KONNO,A.KITAGAWA,M.WATANABE,T.OGAWA,T.SHIRAI . 264 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12303.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 207 78.4 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 . 149 56.4 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 . 4 1.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 8 3.0 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 . 34 12.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 17 6.4 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 . 0 2 4 2 3 5 2 4 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 0 0 0 0 1 0 0 0 1 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 G 0 0 57 0, 0.0 139,-0.1 0, 0.0 124,-0.1 0.000 360.0 360.0 360.0-148.1 19.2 -2.1 23.1 2 2 A V - 0 0 8 117,-0.1 118,-2.3 135,-0.1 2,-0.4 -0.182 360.0-162.2 -55.1 136.9 17.7 -3.2 19.8 3 3 A E E -AB 119 138A 40 135,-2.0 135,-2.8 116,-0.2 2,-0.6 -0.991 0.6-163.3-116.4 132.7 19.6 -2.3 16.6 4 4 A V E -AB 118 137A 4 114,-3.2 114,-2.1 -2,-0.4 3,-0.4 -0.970 13.8-167.8-119.2 113.6 17.6 -2.4 13.3 5 5 A K E +AB 117 136A 100 131,-3.0 131,-2.5 -2,-0.6 112,-0.2 -0.787 60.6 14.1-107.9 143.1 19.9 -2.5 10.3 6 6 A N E S+ 0 0 68 110,-1.2 2,-0.3 -2,-0.3 -1,-0.2 0.836 76.8 158.2 65.4 35.3 19.1 -2.0 6.6 7 7 A I E - 0 0 2 109,-1.9 2,-0.9 -3,-0.4 -1,-0.2 -0.680 41.4-131.6 -82.6 143.5 15.6 -0.5 7.3 8 8 A T E + 0 0 80 -2,-0.3 2,-0.7 251,-0.1 108,-0.2 -0.807 35.3 167.6-104.1 94.4 14.4 1.6 4.4 9 9 A F E +A 115 0A 1 106,-2.1 106,-2.3 -2,-0.9 2,-0.2 -0.899 14.3 165.9-113.4 101.3 13.1 4.8 5.9 10 10 A K E > -A 114 0A 101 -2,-0.7 3,-2.2 104,-0.2 104,-0.2 -0.651 44.9 -67.9-112.9 167.1 12.6 7.4 3.1 11 11 A L T 3 S+ 0 0 74 102,-1.8 -1,-0.1 1,-0.3 79,-0.1 -0.270 121.0 31.0 -46.0 135.1 10.8 10.7 2.6 12 12 A G T 3 S+ 0 0 64 77,-0.7 -1,-0.3 1,-0.3 2,-0.2 0.255 97.7 113.1 92.3 -9.3 7.1 10.3 2.8 13 13 A M < - 0 0 46 -3,-2.2 2,-0.5 76,-0.2 76,-0.4 -0.631 57.2-142.1 -99.0 158.0 7.3 7.4 5.3 14 14 A Y - 0 0 124 -2,-0.2 118,-2.3 74,-0.1 2,-0.6 -0.984 11.2-161.1-118.6 121.3 6.2 7.3 9.0 15 15 A L E -NO 87 131B 0 72,-2.7 72,-3.3 -2,-0.5 2,-0.5 -0.927 8.2-170.9-103.8 119.7 8.4 5.4 11.5 16 16 A T E -NO 86 130B 4 114,-2.5 114,-2.7 -2,-0.6 2,-0.4 -0.942 3.4-172.9-112.8 129.0 6.7 4.5 14.7 17 17 A V E +NO 85 129B 0 68,-2.4 68,-2.2 -2,-0.5 2,-0.3 -0.990 9.3 177.4-119.3 130.5 8.6 3.0 17.6 18 18 A G E +NO 84 128B 0 110,-2.6 109,-2.6 -2,-0.4 110,-2.0 -0.933 14.1 121.9-132.4 154.5 6.8 1.7 20.7 19 19 A G E -NO 83 126B 0 64,-2.3 64,-2.5 -2,-0.3 2,-0.4 -0.942 53.6 -72.8-178.4-159.5 7.8 0.1 23.9 20 20 A V E -NO 82 125B 27 105,-2.2 105,-2.3 -2,-0.3 2,-0.3 -0.989 35.1-131.8-129.0 127.0 7.8 0.2 27.7 21 21 A V E - O 0 124B 2 60,-2.9 59,-0.4 -2,-0.4 103,-0.3 -0.612 36.8-102.8 -76.0 137.0 9.9 2.6 29.8 22 22 A N > - 0 0 65 101,-2.5 3,-1.7 -2,-0.3 58,-1.0 -0.252 30.6-114.2 -56.7 149.4 11.8 0.9 32.7 23 23 A S T 3 S+ 0 0 84 1,-0.3 -1,-0.1 56,-0.3 56,-0.1 0.836 115.1 28.0 -57.9 -38.0 10.2 1.4 36.2 24 24 A N T 3 S+ 0 0 140 56,-0.0 -1,-0.3 55,-0.0 -2,-0.1 -0.203 91.5 171.7-116.2 43.8 13.1 3.4 37.5 25 25 A A < - 0 0 8 -3,-1.7 54,-0.1 1,-0.1 3,-0.1 -0.192 24.2-179.1 -56.3 138.1 14.3 4.8 34.2 26 26 A K - 0 0 112 1,-0.4 22,-2.5 21,-0.1 21,-1.5 0.781 68.9 -31.7 -99.3 -47.9 16.9 7.5 34.1 27 27 A R E -C 46 0A 78 19,-0.2 96,-3.1 20,-0.2 -1,-0.4 -0.970 49.8-170.5-162.8 158.2 17.0 7.9 30.3 28 28 A F E -CD 45 122A 0 17,-1.5 17,-3.3 -2,-0.3 2,-0.4 -0.984 13.5-151.0-145.6 152.5 16.5 6.2 27.0 29 29 A S E -CD 44 121A 4 92,-2.8 92,-2.1 -2,-0.3 2,-0.4 -0.923 10.2-152.4-123.3 149.9 17.1 7.3 23.4 30 30 A I E -CD 43 120A 0 13,-1.9 13,-2.7 -2,-0.4 2,-0.4 -0.962 25.0-167.1-108.4 136.0 15.7 6.5 20.0 31 31 A N E -CD 42 119A 0 88,-1.8 88,-2.0 -2,-0.4 2,-0.4 -0.984 11.6-171.7-133.9 131.0 18.3 7.0 17.2 32 32 A V E +CD 41 118A 1 9,-2.6 9,-2.2 -2,-0.4 8,-1.4 -0.989 43.2 75.7-126.4 130.9 17.9 7.2 13.5 33 33 A G E S-CD 39 117A 0 84,-3.0 83,-2.0 -2,-0.4 84,-1.6 -0.716 90.1 -53.4 175.3-125.0 20.8 7.3 11.0 34 34 A E E S- 0 0 58 4,-3.1 2,-0.3 1,-0.5 5,-0.2 0.578 101.1 -21.6-125.1 -23.9 23.3 4.8 9.6 35 35 A S E > S-C 38 0A 39 3,-1.7 3,-1.3 82,-0.2 -1,-0.5 -0.955 77.8 -76.8-169.0-178.0 24.9 3.0 12.6 36 36 A T T 3 S+ 0 0 46 -2,-0.3 3,-0.1 1,-0.3 83,-0.0 0.649 132.5 43.1 -59.0 -17.3 25.7 3.4 16.3 37 37 A D T 3 S+ 0 0 78 1,-0.2 27,-2.6 26,-0.0 2,-0.4 0.356 113.0 55.8-117.2 -6.6 28.5 5.8 15.4 38 38 A S E < +C 35 0A 38 -3,-1.3 -4,-3.1 25,-0.2 -3,-1.7 -0.848 65.3 162.2-144.2 93.2 26.5 7.8 12.7 39 39 A I E -CE 33 61A 2 22,-1.8 22,-3.0 -2,-0.4 -6,-0.3 -0.968 24.2-175.7-130.9 115.3 23.2 9.2 13.9 40 40 A A E S+ 0 0 2 -8,-1.4 2,-0.4 -2,-0.5 69,-0.4 0.800 85.3 28.2 -76.9 -31.3 21.2 12.0 12.1 41 41 A L E +C 32 0A 0 -9,-2.2 -9,-2.6 67,-0.1 2,-0.5 -0.930 63.1 177.6-138.3 109.4 18.6 12.1 14.9 42 42 A H E -CE 31 59A 8 17,-2.7 17,-1.6 -2,-0.4 2,-0.6 -0.968 7.1-171.6-107.0 122.2 19.2 11.2 18.6 43 43 A I E -CE 30 58A 0 -13,-2.7 -13,-1.9 -2,-0.5 2,-0.7 -0.946 6.2-168.9-115.9 106.2 16.2 11.7 20.8 44 44 A D E -CE 29 57A 2 13,-3.2 13,-2.3 -2,-0.6 2,-1.0 -0.863 9.7-156.1-105.2 116.3 17.2 11.3 24.4 45 45 A H E -CE 28 56A 0 -17,-3.3 -17,-1.5 -2,-0.7 2,-0.9 -0.788 15.1-165.5 -94.0 101.9 14.4 11.1 26.8 46 46 A R E +CE 27 55A 18 9,-2.6 9,-2.2 -2,-1.0 8,-0.6 -0.782 25.7 165.2-101.3 99.3 15.9 12.2 30.1 47 47 A F E S- 0 0 18 -21,-1.5 7,-1.4 -2,-0.9 2,-0.2 0.947 89.2 -9.3 -64.4 -52.7 13.9 11.4 33.2 48 48 A S E S+ E 0 53A 45 -22,-2.5 2,-0.3 5,-0.2 -1,-0.2 -0.749 78.8 143.0-153.0 96.5 16.9 12.1 35.3 49 49 A Y E > S- E 0 52A 108 3,-2.9 3,-1.7 1,-0.3 -3,-0.1 -0.784 74.1 -69.0-137.2 89.7 20.4 12.6 33.8 50 50 A G T 3 S- 0 0 64 -2,-0.3 -1,-0.3 1,-0.3 0, 0.0 -0.397 119.0 -3.4 63.0-135.7 22.4 15.2 35.6 51 51 A A T 3 S+ 0 0 101 -3,-0.1 2,-0.8 1,-0.1 -1,-0.3 0.596 117.7 90.6 -65.8 -11.5 20.9 18.7 35.1 52 52 A D E < +E 49 0A 15 -3,-1.7 -3,-2.9 3,-0.1 2,-0.5 -0.799 50.6 170.5 -96.5 111.4 18.3 17.3 32.7 53 53 A Q E S-E 48 0A 99 -2,-0.8 -5,-0.2 -5,-0.2 -6,-0.2 -0.988 74.5 -13.3-120.6 121.4 15.1 16.3 34.5 54 54 A N E S+ 0 0 91 -7,-1.4 2,-0.4 -8,-0.6 -7,-0.2 0.929 105.3 135.1 50.1 52.5 12.1 15.4 32.4 55 55 A T E -E 46 0A 0 -9,-2.2 -9,-2.6 -3,-0.1 2,-0.5 -0.974 53.9-136.8-132.3 141.5 13.8 16.9 29.4 56 56 A I E -EF 45 72A 2 16,-3.0 16,-2.2 -2,-0.4 2,-0.5 -0.886 18.9-164.2 -95.6 126.6 14.2 15.8 25.8 57 57 A V E -EF 44 71A 0 -13,-2.3 -13,-3.2 -2,-0.5 2,-0.4 -0.973 5.8-166.7-110.2 125.3 17.7 16.3 24.4 58 58 A L E +EF 43 70A 3 12,-3.2 12,-2.2 -2,-0.5 2,-0.3 -0.893 21.2 138.9-112.3 139.6 18.1 16.2 20.6 59 59 A N E -E 42 0A 2 -17,-1.6 -17,-2.7 -2,-0.4 2,-0.3 -0.946 38.3-125.1-158.6 179.4 21.4 15.9 18.7 60 60 A S E - 0 0 1 -2,-0.3 7,-2.6 -19,-0.2 2,-0.4 -0.914 16.4-145.2-130.9 159.0 23.2 14.3 15.9 61 61 A M E -EG 39 66A 10 -22,-3.0 -22,-1.8 -2,-0.3 2,-0.5 -0.998 9.4-170.0-130.0 127.2 26.5 12.3 15.9 62 62 A V E > S- G 0 65A 60 3,-2.4 3,-1.7 -2,-0.4 -24,-0.2 -0.990 77.1 -18.2-117.5 124.1 29.0 12.3 13.1 63 63 A D T 3 S- 0 0 145 -2,-0.5 -25,-0.2 1,-0.3 -1,-0.2 0.867 129.9 -49.3 47.0 49.8 31.9 9.8 13.2 64 64 A D T 3 S+ 0 0 103 -27,-2.6 2,-0.5 1,-0.2 -1,-0.3 0.673 115.2 116.8 65.4 21.0 31.3 9.1 16.9 65 65 A G E < -G 62 0A 28 -3,-1.7 -3,-2.4 -28,-0.3 -1,-0.2 -0.979 62.0-130.9-120.2 124.3 31.2 12.8 17.8 66 66 A W E -G 61 0A 118 -2,-0.5 -5,-0.2 -5,-0.2 3,-0.1 -0.459 22.4-156.8 -68.7 142.7 28.2 14.6 19.2 67 67 A Q - 0 0 94 -7,-2.6 2,-0.5 1,-0.2 -1,-0.1 0.134 46.0 -33.4 -96.8-148.9 27.1 17.9 17.6 68 68 A Q - 0 0 141 1,-0.1 -1,-0.2 -9,-0.0 2,-0.1 -0.644 62.9-134.1 -80.0 125.7 25.0 20.8 18.9 69 69 A E - 0 0 84 -2,-0.5 2,-0.3 -10,-0.1 -10,-0.2 -0.393 16.8-167.7 -73.9 150.2 22.3 19.9 21.4 70 70 A Q E -F 58 0A 74 -12,-2.2 -12,-3.2 -2,-0.1 2,-0.3 -0.975 11.8-152.1-129.5 145.8 18.7 21.2 21.4 71 71 A R E -F 57 0A 116 -2,-0.3 2,-0.4 -14,-0.2 -14,-0.2 -0.878 11.9-170.2-120.7 153.1 16.3 20.8 24.3 72 72 A S E -F 56 0A 13 -16,-2.2 -16,-3.0 -2,-0.3 32,-0.0 -0.993 14.6-157.9-135.3 138.4 12.5 20.5 24.7 73 73 A K + 0 0 142 -2,-0.4 2,-0.7 -18,-0.2 -1,-0.0 0.369 63.0 110.7 -93.9 3.6 10.6 20.5 28.0 74 74 A N + 0 0 89 -18,-0.1 -18,-0.1 1,-0.1 -2,-0.1 -0.720 43.7 169.9 -74.3 113.6 7.6 18.8 26.6 75 75 A F + 0 0 33 -2,-0.7 2,-1.8 -20,-0.1 -1,-0.1 -0.549 15.9 166.0-135.5 70.1 7.9 15.4 28.4 76 76 A P + 0 0 35 0, 0.0 2,-0.3 0, 0.0 -2,-0.1 -0.395 45.4 107.9 -86.8 63.6 4.9 13.1 28.0 77 77 A F - 0 0 16 -2,-1.8 2,-0.4 6,-0.1 6,-0.1 -0.973 47.8-163.0-138.1 148.6 6.6 10.0 29.3 78 78 A T > - 0 0 74 -2,-0.3 3,-1.9 4,-0.2 -57,-0.3 -0.997 29.2-108.9-137.7 126.9 6.2 8.1 32.5 79 79 A A T 3 S+ 0 0 38 -2,-0.4 -56,-0.3 1,-0.2 -57,-0.1 -0.249 104.0 18.1 -51.6 136.5 8.6 5.5 34.0 80 80 A G T 3 S+ 0 0 40 -58,-1.0 -1,-0.2 -59,-0.4 2,-0.2 0.357 108.1 104.2 83.4 -4.8 7.3 1.9 33.9 81 81 A E S < S- 0 0 110 -3,-1.9 -60,-2.9 -59,-0.2 -1,-0.3 -0.681 75.5 -94.3-112.1 161.5 4.7 2.8 31.3 82 82 A H E -N 20 0B 106 -62,-0.3 2,-0.3 -2,-0.2 -62,-0.3 -0.360 39.7-174.9 -66.4 151.0 4.3 2.3 27.5 83 83 A F E -N 19 0B 4 -64,-2.5 -64,-2.3 -6,-0.1 2,-0.3 -0.974 10.7-174.9-136.9 158.0 5.3 4.9 25.0 84 84 A Q E -N 18 0B 101 -2,-0.3 2,-0.3 -66,-0.2 -66,-0.2 -0.961 3.1-176.3-149.6 141.3 5.2 5.4 21.3 85 85 A I E -N 17 0B 2 -68,-2.2 -68,-2.4 -2,-0.3 2,-0.5 -0.960 14.4-146.0-129.3 152.1 6.6 8.0 19.0 86 86 A T E -NP 16 97B 21 11,-1.6 11,-3.3 -2,-0.3 2,-0.4 -0.985 13.8-162.7-123.5 125.0 6.3 8.7 15.3 87 87 A I E +NP 15 96B 0 -72,-3.3 -72,-2.7 -2,-0.5 2,-0.3 -0.903 16.2 160.8-110.3 133.3 9.1 10.1 13.2 88 88 A T E - 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