==== 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 3LL0 . COMPND 2 MOLECULE: GRIFFITHSIN; . SOURCE 2 ORGANISM_SCIENTIFIC: GRIFFITHSIA; . AUTHOR T.MOULAEI,A.WLODAWER . 125 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 5979.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 85 68.0 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 . 65 52.0 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 . 10 8.0 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 1 2 1 1 2 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 0 112 0, 0.0 123,-2.8 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0 133.8 8.4 -2.9 3.7 2 2 A L E +A 123 0A 100 121,-0.2 121,-0.2 119,-0.1 2,-0.2 -0.535 360.0 138.6 -87.1 135.7 9.1 -3.7 7.4 3 3 A T E -A 122 0A 57 119,-2.8 119,-2.2 -2,-0.3 2,-0.3 -0.785 33.0-135.7-150.4-175.2 12.6 -4.4 8.6 4 4 A H E -A 121 0A 91 117,-0.2 2,-0.3 -2,-0.2 117,-0.2 -0.984 6.4-159.7-147.2 164.1 15.0 -3.7 11.5 5 5 A R E -A 120 0A 91 115,-2.0 115,-2.5 -2,-0.3 2,-0.3 -0.981 11.9-141.2-148.6 135.3 18.6 -2.7 12.1 6 6 A K E -A 119 0A 117 -2,-0.3 2,-0.3 113,-0.2 113,-0.2 -0.725 17.1-173.3 -96.8 143.6 20.8 -3.0 15.1 7 7 A F E +A 118 0A 7 111,-2.6 111,-2.1 -2,-0.3 2,-0.2 -0.988 45.4 18.2-133.9 142.3 23.3 -0.3 16.1 8 8 A G E S-A 117 0A 25 -2,-0.3 109,-0.2 109,-0.2 64,-0.2 -0.528 86.5 -39.8 97.8-164.9 25.9 -0.5 18.9 9 9 A G - 0 0 10 107,-2.1 62,-0.1 62,-0.9 -2,-0.1 -0.008 49.9 -99.9 -96.2-164.3 27.6 -3.2 20.9 10 10 A S S S+ 0 0 120 107,-0.0 107,-0.1 62,-0.0 62,-0.1 0.503 82.1 94.9 -99.3 -4.3 26.8 -6.4 22.6 11 11 A G + 0 0 28 60,-0.4 106,-0.1 105,-0.1 105,-0.1 -0.092 52.2 49.0 -87.9-178.4 26.5 -5.4 26.3 12 12 A G S S- 0 0 39 98,-0.1 100,-0.3 104,-0.1 103,-0.1 -0.134 83.4 -71.8 83.8 178.4 23.7 -4.3 28.6 13 13 A S E -B 111 0A 86 98,-3.1 98,-2.3 -2,-0.0 103,-0.1 -0.890 55.6 -97.5-113.0 146.0 20.3 -6.0 29.3 14 14 A P E +B 110 0A 120 0, 0.0 2,-0.3 0, 0.0 96,-0.3 -0.288 40.8 174.6 -70.4 143.4 17.5 -6.0 26.8 15 15 A F E -B 109 0A 21 94,-2.6 94,-2.1 28,-0.1 2,-0.3 -0.923 13.4-149.6-133.0 168.1 14.6 -3.6 26.8 16 16 A S - 0 0 80 -2,-0.3 92,-0.2 92,-0.2 2,-0.1 -0.948 17.6-117.6-132.5 150.9 11.7 -2.9 24.5 17 16AA G - 0 0 6 -2,-0.3 5,-0.1 90,-0.2 91,-0.1 -0.284 60.5 -70.6 -66.1 166.9 9.6 -0.0 23.5 18 16BA S - 0 0 84 3,-0.2 2,-0.3 1,-0.1 3,-0.1 0.617 69.0-117.2 -24.8 -39.5 5.9 0.0 24.3 19 16CA G S S+ 0 0 55 2,-0.3 -1,-0.1 1,-0.2 -2,-0.1 -0.487 96.4 41.6 129.8 -55.6 5.2 -2.7 21.6 20 16DA S S S- 0 0 111 -2,-0.3 -1,-0.2 1,-0.1 2,-0.1 0.921 118.6 -25.7 -81.4 -76.4 2.9 -1.2 19.0 21 17 A G - 0 0 28 -3,-0.1 2,-0.4 85,-0.1 -2,-0.3 -0.228 58.5 -93.5-127.7-153.1 4.4 2.3 18.5 22 18 A L + 0 0 29 82,-0.2 3,-0.1 1,-0.1 34,-0.1 -0.977 28.4 167.6-142.8 107.4 6.3 5.2 19.7 23 19 A S + 0 0 64 -2,-0.4 33,-1.9 1,-0.3 2,-0.3 0.788 68.2 4.3 -98.9 -31.7 4.6 8.3 21.3 24 20 A S E -D 55 0B 17 31,-0.2 15,-2.4 2,-0.0 2,-0.4 -0.996 54.8-164.0-154.1 155.0 7.6 10.2 22.9 25 21 A I E +DE 54 38B 3 29,-2.4 29,-3.5 -2,-0.3 2,-0.3 -0.993 12.4 163.2-143.2 134.2 11.3 10.1 23.1 26 22 A A E - E 0 37B 2 11,-2.1 11,-3.2 -2,-0.4 2,-0.3 -0.910 17.5-156.8-133.7 164.5 13.9 11.8 25.4 27 23 A V E - E 0 36B 0 25,-0.3 24,-3.2 -2,-0.3 2,-0.4 -0.960 16.2-140.9-133.5 157.1 17.5 10.9 26.0 28 24 A R E +FE 50 35B 57 7,-2.3 6,-2.0 -2,-0.3 7,-1.7 -0.976 39.8 168.4-106.0 134.9 20.3 11.4 28.6 29 25 A S E +FE 49 33B 14 20,-1.9 20,-2.7 -2,-0.4 4,-0.2 -0.997 25.5 145.3-148.0 151.6 23.6 12.1 26.9 30 26 A G S S- 0 0 37 2,-2.8 60,-0.2 -2,-0.3 3,-0.0 -0.105 93.2 -21.5-136.6-111.8 27.1 13.2 27.5 31 27 A S S S+ 0 0 87 59,-0.1 60,-1.0 -2,-0.1 62,-0.4 0.732 142.7 17.1 -67.1 -30.9 29.9 11.7 25.5 32 28 A Y S S- 0 0 83 58,-0.2 -2,-2.8 60,-0.1 2,-0.8 -0.698 101.0 -81.9-125.9 177.3 27.6 8.8 24.8 33 29 A L E -E 29 0B 0 40,-2.7 82,-2.9 82,-0.3 40,-0.3 -0.859 41.3-177.7 -80.3 115.3 23.9 8.1 25.1 34 30 A D E - 0 0 13 -6,-2.0 11,-1.9 -2,-0.8 2,-0.3 0.802 65.0 -5.4 -79.5 -35.6 23.4 7.3 28.8 35 31 A A E -EG 28 44B 0 -7,-1.7 -7,-2.3 9,-0.3 2,-0.4 -0.989 52.1-144.3-157.2 153.5 19.7 6.6 28.5 36 32 A I E -EG 27 43B 2 7,-2.4 7,-1.7 -2,-0.3 2,-0.6 -0.988 15.2-155.9-121.9 133.0 16.7 6.6 26.2 37 33 A I E -EG 26 42B 21 -11,-3.2 -11,-2.1 -2,-0.4 2,-0.5 -0.948 14.2-172.1-112.5 107.5 13.3 7.5 27.6 38 34 A I E > S-EG 25 41B 2 3,-2.1 3,-2.3 -2,-0.6 -13,-0.2 -0.893 70.4 -16.7-110.2 122.5 10.6 6.0 25.5 39 35 A D T 3 S- 0 0 38 -15,-2.4 -1,-0.2 -2,-0.5 -14,-0.1 0.845 130.6 -52.3 49.2 41.9 7.0 6.9 26.2 40 36 A G T 3 S+ 0 0 60 1,-0.2 2,-0.5 -3,-0.2 -1,-0.3 0.367 112.4 121.3 80.3 0.7 8.1 8.2 29.6 41 37 A V E < -G 38 0B 81 -3,-2.3 -3,-2.1 2,-0.0 2,-0.2 -0.864 58.2-134.3-102.5 126.3 9.9 4.9 30.6 42 38 A H E -G 37 0B 90 -2,-0.5 2,-0.4 -5,-0.2 -5,-0.2 -0.549 22.3-179.7 -83.1 135.5 13.6 5.2 31.3 43 39 A H E +G 36 0B 35 -7,-1.7 -7,-2.4 -2,-0.2 2,-0.2 -0.898 54.2 15.9-138.1 106.7 16.1 2.7 29.9 44 40 A G E S-G 35 0B 22 -2,-0.4 -9,-0.3 -9,-0.2 70,-0.2 -0.745 92.8 -35.5 127.1-167.8 19.8 3.2 30.8 45 41 A G - 0 0 17 -11,-1.9 -2,-0.1 68,-0.7 68,-0.1 0.179 44.2-114.0 -82.6-168.6 21.8 5.1 33.5 46 42 A S S S+ 0 0 104 -11,-0.0 -11,-0.1 4,-0.0 4,-0.1 0.298 76.9 106.9-113.2 1.8 21.5 8.4 35.3 47 43 A G + 0 0 31 66,-0.4 -13,-0.1 -13,-0.1 -12,-0.1 -0.168 60.7 30.6 -69.1 176.4 24.6 10.1 33.9 48 44 A G S S- 0 0 33 -20,-0.1 2,-0.4 -14,-0.1 -18,-0.2 -0.181 97.3 -54.5 68.9-172.5 24.7 12.9 31.3 49 45 A N E -F 29 0B 127 -20,-2.7 -20,-1.9 0, 0.0 2,-0.5 -0.874 49.3-117.6-107.7 141.9 22.1 15.6 30.8 50 46 A L E -F 28 0B 104 -2,-0.4 -22,-0.2 -22,-0.2 3,-0.1 -0.697 26.6-145.7 -81.5 125.3 18.4 15.1 30.2 51 47 A S - 0 0 10 -24,-3.2 3,-0.0 -2,-0.5 -1,-0.0 -0.360 29.4 -92.2 -74.3 161.5 17.0 16.3 26.8 52 48 A P - 0 0 95 0, 0.0 2,-0.4 0, 0.0 -25,-0.3 -0.336 49.8-100.9 -63.9 158.8 13.6 17.7 26.3 53 49 A T - 0 0 85 -27,-0.1 2,-0.5 -3,-0.1 -27,-0.3 -0.739 26.4-146.6 -89.6 131.4 11.0 15.2 25.4 54 50 A F E -D 25 0B 16 -29,-3.5 -29,-2.4 -2,-0.4 2,-0.5 -0.879 14.3-164.1 -96.4 123.7 9.9 15.0 21.7 55 51 A T E -D 24 0B 87 -2,-0.5 -31,-0.2 -31,-0.2 2,-0.2 -0.960 17.7-127.9-116.2 123.5 6.2 14.0 21.4 56 52 A F - 0 0 26 -33,-1.9 3,-0.1 -2,-0.5 2,-0.1 -0.486 20.8-139.0 -74.8 132.8 5.0 12.8 18.0 57 53 A G > - 0 0 36 -2,-0.2 3,-2.0 1,-0.2 2,-0.2 -0.241 42.4 -68.7 -76.5 174.7 2.0 14.6 16.5 58 54 A S T 3 S+ 0 0 124 1,-0.3 -1,-0.2 -2,-0.1 3,-0.1 -0.475 126.5 11.1 -65.4 131.4 -0.8 12.8 14.7 59 55 A G T 3 S+ 0 0 54 1,-0.2 2,-0.4 -2,-0.2 -1,-0.3 0.558 104.4 124.5 76.0 10.6 0.5 11.5 11.4 60 56 A E < + 0 0 16 -3,-2.0 2,-0.3 21,-0.1 -1,-0.2 -0.871 28.6 153.6-107.2 136.3 4.1 12.3 12.5 61 57 A Y - 0 0 60 -2,-0.4 20,-1.6 -3,-0.1 2,-0.5 -0.968 51.4 -81.1-151.4 163.3 6.9 9.8 12.6 62 58 A I E +H 80 0C 2 42,-0.4 42,-2.3 -2,-0.3 18,-0.3 -0.594 46.8 167.6 -69.3 122.1 10.7 9.4 12.4 63 59 A S E + 0 0 22 16,-2.4 39,-2.3 -2,-0.5 38,-0.6 0.515 64.0 23.6-114.8 -17.5 11.6 9.5 8.7 64 60 A N E -HI 79 100C 47 15,-1.4 15,-2.6 36,-0.2 -1,-0.4 -0.942 68.3-179.1-153.4 132.9 15.4 10.0 8.7 65 61 A M E -HI 78 99C 4 34,-2.3 34,-2.9 -2,-0.3 2,-0.5 -0.998 14.2-162.5-145.4 134.6 17.8 9.0 11.5 66 62 A T E -HI 77 98C 40 11,-2.5 11,-1.8 -2,-0.4 2,-0.4 -0.997 13.6-177.2-120.2 123.1 21.6 9.3 12.1 67 63 A I E -HI 76 97C 1 30,-2.8 30,-2.0 -2,-0.5 2,-0.5 -0.987 13.8-157.4-122.8 123.6 23.1 7.1 14.8 68 64 A R E +HI 75 96C 75 7,-1.8 6,-2.8 -2,-0.4 7,-1.7 -0.898 31.7 158.9 -93.0 132.9 26.8 7.2 15.8 69 65 A S E +HI 73 95C 15 26,-2.2 26,-2.0 -2,-0.5 4,-0.2 -0.998 24.9 152.1-155.4 153.2 27.8 4.0 17.5 70 66 A G S S- 0 0 39 2,-2.6 -62,-0.1 -2,-0.3 3,-0.0 -0.100 92.3 -20.5-139.6-109.7 30.7 1.7 18.4 71 67 A D S S+ 0 0 132 -63,-0.2 -62,-0.9 -2,-0.1 -60,-0.4 0.689 142.5 22.5 -76.8 -21.9 30.4 -0.5 21.5 72 68 A Y S S- 0 0 77 -64,-0.2 -2,-2.6 -63,-0.1 2,-0.7 -0.766 100.5 -86.2-125.4 177.7 27.7 1.9 22.7 73 69 A I E +H 69 0C 0 42,-2.9 -40,-2.7 -40,-0.3 42,-0.3 -0.831 44.0 179.8 -85.6 117.5 25.4 4.4 21.1 74 70 A D E + 0 0 11 -6,-2.8 17,-2.1 -2,-0.7 2,-0.3 0.759 60.1 2.4 -87.2 -36.6 27.4 7.6 20.9 75 71 A N E -HJ 68 90C 21 -7,-1.7 -7,-1.8 15,-0.3 2,-0.4 -0.982 55.4-164.9-155.2 143.6 25.0 10.0 19.2 76 72 A I E +HJ 67 89C 4 13,-2.0 13,-2.0 -2,-0.3 2,-0.3 -0.998 14.7 162.0-132.8 137.6 21.4 10.1 18.0 77 73 A S E +H 66 0C 19 -11,-1.8 -11,-2.5 -2,-0.4 2,-0.3 -0.977 9.9 174.7-144.5 149.6 19.7 12.6 15.7 78 74 A F E -HJ 65 86C 3 8,-2.4 8,-2.4 -2,-0.3 2,-0.3 -0.983 19.4-150.4-149.7 165.0 16.5 12.4 13.7 79 75 A E E -HJ 64 85C 59 -15,-2.6 -16,-2.4 -2,-0.3 -15,-1.4 -0.944 18.1-140.3-126.7 153.4 14.0 14.2 11.5 80 76 A T E > -H 62 0C 6 4,-2.3 3,-1.8 -2,-0.3 -18,-0.2 -0.639 30.4-106.3-105.6 172.4 10.3 13.6 11.1 81 77 A N T 3 S+ 0 0 67 -20,-1.6 -19,-0.1 1,-0.3 -21,-0.1 0.625 121.4 60.9 -68.7 -14.4 8.1 13.7 8.1 82 78 A M T 3 S- 0 0 105 -21,-0.3 -1,-0.3 2,-0.1 -22,-0.1 0.190 122.0-107.3 -96.9 10.3 6.8 17.0 9.4 83 79 A G S < S+ 0 0 61 -3,-1.8 2,-0.2 1,-0.2 -2,-0.1 0.527 72.5 141.0 82.1 7.1 10.3 18.5 9.2 84 80 A R - 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