==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-JAN-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER SUGAR BINDING PROTEIN 28-JAN-10 3LL2 . COMPND 2 MOLECULE: GRIFFITHSIN; . SOURCE 2 ORGANISM_SCIENTIFIC: GRIFFITHSIA; . AUTHOR T.MOULAEI,A.WLODAWER . 123 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 5903.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 88 71.5 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 . 65 52.8 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 . 1 0.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 3 2.4 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 . 13 10.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 3 2.4 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 0 3 1 2 1 0 1 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 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 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 S 0 0 141 0, 0.0 2,-0.3 0, 0.0 121,-0.1 0.000 360.0 360.0 360.0 160.3 22.2 24.5 10.1 2 2 A S - 0 0 70 119,-0.1 2,-0.2 2,-0.0 119,-0.2 -0.899 360.0-154.9-149.7 178.6 21.9 28.2 9.7 3 3 A T E -A 120 0A 64 117,-3.0 117,-2.3 -2,-0.3 2,-0.3 -0.765 7.3-141.3-141.2-172.9 23.9 31.2 8.6 4 4 A H E -A 119 0A 93 115,-0.2 2,-0.3 -2,-0.2 115,-0.2 -0.986 3.2-159.2-154.6 161.6 24.1 35.0 9.0 5 5 A R E -A 118 0A 83 113,-1.9 113,-2.7 -2,-0.3 2,-0.3 -0.990 11.0-145.4-144.6 138.8 24.7 38.1 7.1 6 6 A K E -A 117 0A 140 -2,-0.3 2,-0.4 111,-0.2 111,-0.2 -0.806 15.3-175.6-104.9 143.7 25.8 41.6 8.3 7 7 A F E +A 116 0A 9 109,-2.5 109,-2.3 -2,-0.3 2,-0.2 -0.991 42.1 24.0-134.9 143.7 24.6 44.9 6.7 8 8 A G E S-A 115 0A 32 -2,-0.4 107,-0.3 107,-0.2 62,-0.2 -0.670 82.6 -40.3 107.2-161.1 25.7 48.5 7.4 9 9 A G - 0 0 15 105,-2.2 60,-0.1 60,-0.7 61,-0.1 -0.060 51.2 -97.7-101.7-165.2 28.6 50.3 8.9 10 10 A S S S+ 0 0 128 -2,-0.1 105,-0.1 59,-0.0 60,-0.1 0.467 82.5 94.3-100.9 -0.9 31.1 50.0 11.7 11 11 A G + 0 0 27 58,-0.4 103,-0.1 103,-0.1 104,-0.1 -0.081 51.7 50.6 -87.8-174.8 29.6 52.2 14.4 12 12 A G S S- 0 0 40 96,-0.1 98,-0.3 102,-0.1 101,-0.1 0.017 83.3 -68.1 82.9 169.4 27.3 51.8 17.4 13 13 A S E -B 109 0A 89 96,-2.9 96,-2.1 1,-0.0 101,-0.1 -0.879 56.2-112.3 -93.6 127.9 27.2 49.5 20.5 14 14 A P E -B 108 0A 116 0, 0.0 2,-0.3 0, 0.0 94,-0.3 -0.280 37.6-177.7 -61.4 147.1 26.5 45.9 19.7 15 15 A F E -B 107 0A 21 92,-2.4 92,-2.0 26,-0.1 2,-0.5 -0.956 18.9-138.9-136.6 162.8 23.2 44.3 20.8 16 16 A S E -B 106 0A 81 -2,-0.3 90,-0.2 90,-0.2 2,-0.1 -0.984 22.4-123.7-122.8 129.8 21.6 40.9 20.6 17 16AA G - 0 0 8 88,-0.9 3,-0.1 -2,-0.5 20,-0.1 -0.421 14.1-154.0 -67.7 146.5 18.0 40.4 19.8 18 16BA S - 0 0 93 1,-0.2 2,-0.3 18,-0.2 -1,-0.1 0.481 64.0 -31.6-105.4 -1.6 16.2 38.4 22.5 19 17 A G - 0 0 26 86,-0.2 -1,-0.2 3,-0.1 86,-0.2 -0.946 52.5-108.3 170.6-176.8 13.5 37.0 20.4 20 18 A L S S+ 0 0 36 -2,-0.3 3,-0.1 1,-0.1 34,-0.1 -0.328 71.3 113.9-136.4 52.1 11.2 37.6 17.4 21 19 A S S S+ 0 0 76 1,-0.3 33,-2.1 32,-0.1 2,-0.3 0.781 85.5 4.3 -87.6 -33.0 7.9 38.1 18.8 22 20 A S E -D 53 0B 20 31,-0.2 15,-2.6 -3,-0.1 2,-0.4 -0.992 57.8-167.9-153.3 151.2 7.5 41.8 17.8 23 21 A I E +DE 52 36B 3 29,-2.3 29,-3.3 -2,-0.3 2,-0.3 -0.998 12.8 160.9-137.7 136.0 9.4 44.4 15.7 24 22 A A E - E 0 35B 2 11,-2.0 11,-3.2 -2,-0.4 2,-0.3 -0.919 17.8-155.5-136.2 169.2 9.0 48.1 15.4 25 23 A V E - E 0 34B 0 25,-0.3 24,-3.2 -2,-0.3 2,-0.4 -0.951 16.2-137.8-135.9 159.4 11.4 50.8 14.1 26 24 A R E +FE 48 33B 53 7,-2.2 7,-1.8 -2,-0.3 6,-1.7 -0.977 42.0 167.2-105.1 135.4 12.0 54.5 14.5 27 25 A S E +FE 47 31B 18 20,-2.2 20,-2.6 -2,-0.4 4,-0.2 -0.994 26.2 143.8-151.0 155.0 12.8 55.9 11.1 28 26 A G S S- 0 0 39 2,-2.6 60,-0.1 -2,-0.3 3,-0.0 -0.220 93.9 -18.8-143.9-112.9 13.3 59.1 9.0 29 27 A S S S+ 0 0 89 -2,-0.1 60,-0.8 59,-0.1 62,-0.4 0.769 142.5 16.5 -66.7 -30.5 15.9 59.3 6.4 30 28 A Y S S- 0 0 82 58,-0.2 -2,-2.6 60,-0.1 2,-0.9 -0.731 99.5 -82.0-124.9-180.0 17.5 56.3 8.2 31 29 A L E -E 27 0B 0 40,-2.9 82,-3.0 82,-0.3 40,-0.3 -0.831 40.8-176.8 -85.4 109.4 16.6 53.7 10.7 32 30 A D E - 0 0 11 -6,-1.7 11,-2.4 -2,-0.9 2,-0.3 0.810 65.2 -9.9 -71.8 -36.3 17.0 55.5 14.0 33 31 A A E -EG 26 42B 0 -7,-1.8 -7,-2.2 9,-0.3 2,-0.4 -0.987 52.4-141.2-159.9 152.9 16.2 52.4 16.0 34 32 A I E -EG 25 41B 4 7,-2.3 7,-2.4 -2,-0.3 2,-0.6 -0.977 16.5-155.6-117.3 140.2 14.9 48.9 15.9 35 33 A I E -EG 24 40B 23 -11,-3.2 -11,-2.0 -2,-0.4 2,-0.5 -0.962 12.2-173.0-121.0 108.9 12.6 47.8 18.7 36 34 A I E > S-EG 23 39B 1 3,-2.3 3,-2.2 -2,-0.6 -13,-0.2 -0.934 74.0 -15.3-112.4 118.0 12.8 44.0 19.2 37 35 A D T 3 S- 0 0 50 -15,-2.6 -1,-0.2 -2,-0.5 -14,-0.1 0.853 131.1 -53.8 55.3 35.7 10.3 42.4 21.6 38 36 A G T 3 S+ 0 0 60 1,-0.2 2,-0.5 -3,-0.2 -1,-0.3 0.420 110.1 127.8 84.3 -6.1 9.8 46.0 23.0 39 37 A V E < -G 36 0B 68 -3,-2.2 -3,-2.3 2,-0.0 2,-0.5 -0.793 54.8-136.1 -94.4 123.0 13.5 46.5 23.6 40 38 A H E -G 35 0B 86 -2,-0.5 2,-0.5 -5,-0.2 -5,-0.2 -0.663 21.7-178.7 -87.2 126.7 14.8 49.7 22.0 41 39 A H E +G 34 0B 31 -7,-2.4 -7,-2.3 -2,-0.5 2,-0.3 -0.937 56.5 13.2-125.9 106.4 18.1 49.7 20.1 42 40 A G E S-G 33 0B 25 -2,-0.5 -9,-0.3 -9,-0.2 70,-0.2 -0.891 91.2 -37.1 128.5-162.1 19.2 53.0 18.8 43 41 A G - 0 0 11 -11,-2.4 68,-0.1 68,-0.7 69,-0.1 -0.074 43.7-111.0 -96.1-169.4 18.2 56.7 19.1 44 42 A S S S+ 0 0 104 -2,-0.0 -11,-0.1 68,-0.0 68,-0.1 0.357 78.4 101.7-110.0 3.6 15.2 58.8 19.6 45 43 A G + 0 0 33 66,-0.4 -13,-0.1 -13,-0.1 -12,-0.0 -0.077 62.3 38.9 -76.5-175.8 15.0 60.6 16.2 46 44 A G S S- 0 0 27 -20,-0.1 2,-0.4 -14,-0.1 -18,-0.3 -0.177 95.4 -68.3 70.1-171.0 12.7 59.6 13.4 47 45 A N E -F 27 0B 131 -20,-2.6 -20,-2.2 0, 0.0 2,-0.4 -0.922 46.7-108.2-120.8 148.5 9.1 58.5 13.9 48 46 A L E -F 26 0B 101 -2,-0.4 -22,-0.2 -22,-0.2 3,-0.1 -0.620 29.6-145.0 -79.2 126.4 7.9 55.4 15.5 49 47 A S - 0 0 11 -24,-3.2 -1,-0.0 -2,-0.4 38,-0.0 -0.354 32.7 -87.2 -74.8 165.4 6.3 52.7 13.2 50 48 A P - 0 0 88 0, 0.0 2,-0.5 0, 0.0 -25,-0.3 -0.319 51.7-102.8 -60.4 158.3 3.5 50.5 14.2 51 49 A T - 0 0 88 -27,-0.1 2,-0.6 -3,-0.1 -27,-0.2 -0.746 25.0-147.0 -87.0 132.0 4.5 47.3 16.0 52 50 A F E -D 23 0B 13 -29,-3.3 -29,-2.3 -2,-0.5 2,-0.5 -0.885 15.1-165.1 -96.1 121.5 4.5 44.1 14.0 53 51 A T E -D 22 0B 86 -2,-0.6 -31,-0.2 -31,-0.2 2,-0.2 -0.937 15.8-132.0-112.6 122.2 3.6 41.2 16.3 54 52 A F - 0 0 20 -33,-2.1 3,-0.1 -2,-0.5 2,-0.1 -0.496 19.9-142.1 -71.3 135.4 4.3 37.7 14.9 55 53 A G > - 0 0 38 -2,-0.2 3,-2.3 1,-0.2 -1,-0.1 -0.283 44.5 -57.0 -83.9 178.6 1.5 35.2 15.2 56 54 A S T 3 S+ 0 0 121 1,-0.3 -1,-0.2 -2,-0.1 3,-0.1 -0.316 126.8 4.7 -54.7 129.3 1.8 31.6 16.1 57 55 A G T 3 S+ 0 0 57 1,-0.2 2,-0.4 -3,-0.1 -1,-0.3 0.491 99.5 134.5 75.1 4.6 4.1 29.8 13.5 58 56 A E < + 0 0 18 -3,-2.3 2,-0.3 20,-0.1 -1,-0.2 -0.733 23.3 159.5 -97.5 138.2 4.9 33.1 11.8 59 57 A Y - 0 0 66 -2,-0.4 20,-2.1 -3,-0.1 2,-0.5 -0.952 47.5 -86.4-148.1 161.2 8.4 34.1 10.8 60 58 A I E +H 78 0C 1 42,-0.3 42,-2.0 -2,-0.3 18,-0.3 -0.623 41.8 170.3 -73.1 122.2 10.3 36.4 8.5 61 59 A S E + 0 0 11 16,-2.3 39,-2.3 -2,-0.5 38,-0.8 0.581 67.3 23.3-108.9 -18.2 10.7 34.7 5.1 62 60 A N E +HI 77 98C 48 15,-1.7 15,-2.6 36,-0.2 2,-0.3 -0.979 66.5 177.0-147.9 138.4 12.0 37.6 3.0 63 61 A M E -HI 76 97C 7 34,-2.4 34,-3.2 -2,-0.3 2,-0.5 -0.980 12.6-162.4-148.1 132.8 13.8 40.7 4.1 64 62 A T E -HI 75 96C 48 11,-2.2 11,-2.0 -2,-0.3 2,-0.5 -0.974 8.5-172.6-118.2 129.8 15.3 43.7 2.3 65 63 A I E -HI 74 95C 1 30,-2.8 30,-2.4 -2,-0.5 2,-0.4 -0.978 9.7-158.1-118.0 128.2 17.8 46.0 4.0 66 64 A R E +HI 73 94C 70 7,-2.3 6,-2.3 -2,-0.5 7,-1.7 -0.899 31.9 159.1 -98.0 133.7 19.1 49.2 2.4 67 65 A S E +HI 71 93C 15 26,-2.3 26,-2.3 -2,-0.4 4,-0.2 -0.996 26.7 152.0-155.2 159.6 22.3 50.3 4.0 68 66 A G S S- 0 0 37 2,-2.6 -60,-0.1 -2,-0.3 3,-0.0 -0.159 91.6 -19.7-143.6-110.9 25.5 52.3 3.7 69 67 A D S S+ 0 0 133 -61,-0.1 -60,-0.7 -2,-0.1 -58,-0.4 0.713 142.7 19.1 -76.9 -22.5 27.3 53.6 6.8 70 68 A Y S S- 0 0 81 -62,-0.2 -2,-2.6 -61,-0.1 2,-0.7 -0.732 101.9 -83.3-125.9-179.6 24.0 53.1 8.6 71 69 A I E -H 67 0C 0 42,-2.9 -40,-2.9 -40,-0.3 42,-0.3 -0.844 42.9-178.6 -85.4 120.7 20.9 51.1 8.0 72 70 A D E - 0 0 12 -6,-2.3 17,-2.2 -2,-0.7 2,-0.3 0.793 59.7 -2.0 -85.5 -36.3 18.8 53.2 5.7 73 71 A N E -HJ 66 88C 20 -7,-1.7 -7,-2.3 15,-0.3 2,-0.4 -0.991 52.9-161.9-160.6 145.8 15.6 51.1 5.3 74 72 A I E +HJ 65 87C 5 13,-2.1 13,-2.0 -2,-0.3 2,-0.3 -1.000 13.7 164.7-134.2 142.9 14.1 47.8 6.3 75 73 A S E +H 64 0C 26 -11,-2.0 -11,-2.2 -2,-0.4 2,-0.3 -0.981 9.7 178.0-141.4 153.4 11.2 45.8 4.9 76 74 A F E -HJ 63 84C 4 8,-2.3 8,-2.6 -2,-0.3 2,-0.3 -0.991 17.6-152.5-150.0 162.7 10.1 42.2 5.4 77 75 A E E -HJ 62 83C 44 -15,-2.6 -16,-2.3 -2,-0.3 -15,-1.7 -0.960 19.7-139.9-127.2 149.5 7.5 39.6 4.5 78 76 A T E > -H 60 0C 2 4,-2.4 3,-2.3 -2,-0.3 -18,-0.2 -0.600 30.4-102.7-105.2 170.2 6.4 36.7 6.6 79 77 A N T 3 S+ 0 0 66 -20,-2.1 -19,-0.1 1,-0.3 -1,-0.1 0.611 123.5 57.6 -64.2 -13.0 5.6 33.1 5.8 80 78 A M T 3 S- 0 0 103 -21,-0.3 -1,-0.3 2,-0.1 -20,-0.1 0.293 121.4-108.2 -98.9 8.1 1.9 34.1 6.2 81 79 A G S < S+ 0 0 42 -3,-2.3 2,-0.2 1,-0.3 -2,-0.1 0.506 72.2 140.5 82.6 5.5 2.3 36.8 3.5 82 80 A R - 0 0 107 1,-0.0 -4,-2.4 -5,-0.0 2,-0.4 -0.508 37.8-146.5 -81.5 151.1 2.2 39.8 5.9 83 81 A R E -J 77 0C 169 -6,-0.2 2,-0.4 -2,-0.2 -6,-0.2 -0.908 13.5-162.8-122.0 150.1 4.5 42.7 5.3 84 82 A F E -J 76 0C 9 -8,-2.6 -8,-2.3 -2,-0.4 3,-0.2 -0.999 44.8 -62.5-126.7 128.6 6.3 45.3 7.4 85 83 A G E - 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