==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER SUGAR BINDING PROTEIN 29-APR-06 2GUC . COMPND 2 MOLECULE: GRIFFITHSIN; . SOURCE 2 ORGANISM_SCIENTIFIC: GRIFFITHSIA; . AUTHOR N.E.ZIOLKOWSKA,A.WLODAWER . 242 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10239.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 175 72.3 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 . 130 53.7 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 . 2 0.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 3 1.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 6 2.5 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 . 25 10.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 6 2.5 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 4 2 4 2 2 4 0 2 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 4 2 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 0 104 0, 0.0 241,-2.9 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 121.7 22.1 11.4 3.4 2 2 A L E +A 241 0A 44 239,-0.2 2,-0.3 122,-0.1 239,-0.2 -0.583 360.0 134.0 -76.3 126.8 22.1 15.2 3.2 3 3 A T E -A 240 0A 53 237,-2.9 237,-2.6 -2,-0.4 2,-0.3 -0.889 39.1-136.2-153.1 177.8 23.5 16.6 -0.1 4 4 A H E -A 239 0A 73 -2,-0.3 2,-0.4 235,-0.2 235,-0.2 -0.988 8.7-162.3-144.4 156.5 22.8 19.1 -2.8 5 5 A R E -A 238 0A 101 233,-2.0 233,-2.7 -2,-0.3 2,-0.4 -1.000 10.4-145.6-137.2 135.9 23.0 19.0 -6.6 6 6 A K E -A 237 0A 128 -2,-0.4 2,-0.4 231,-0.2 231,-0.2 -0.807 16.8-172.9 -99.5 138.0 23.2 21.9 -9.1 7 7 A F E +A 236 0A 7 229,-2.6 229,-2.0 -2,-0.4 2,-0.2 -0.983 42.7 26.6-126.3 147.5 21.5 21.7 -12.5 8 8 A G E S-A 235 0A 28 -2,-0.4 227,-0.2 227,-0.2 182,-0.2 -0.607 85.7 -40.2 106.0-162.8 21.7 24.1 -15.4 9 9 A G - 0 0 16 225,-1.9 180,-0.1 180,-0.8 181,-0.1 -0.070 51.5-100.5-101.2-169.5 24.1 26.7 -16.8 10 10 A S S S+ 0 0 123 225,-0.0 225,-0.1 -2,-0.0 180,-0.1 0.444 81.3 97.6 -99.1 0.2 26.4 29.4 -15.3 11 11 A G + 0 0 31 178,-0.4 224,-0.1 223,-0.1 223,-0.1 -0.030 53.4 42.8 -82.0-175.6 24.3 32.6 -15.9 12 12 A G S S- 0 0 44 222,-0.1 218,-0.3 216,-0.1 221,-0.1 -0.019 85.2 -71.7 71.3-176.7 21.9 34.7 -13.8 13 13 A S E -B 229 0A 78 216,-2.8 216,-2.2 1,-0.0 221,-0.1 -0.913 52.9-100.1-118.9 141.8 22.2 35.9 -10.2 14 14 A P E -B 228 0A 114 0, 0.0 2,-0.3 0, 0.0 214,-0.3 -0.178 38.3-178.3 -61.2 151.4 21.9 33.6 -7.2 15 15 A F E -B 227 0A 27 212,-2.7 212,-2.0 39,-0.1 2,-0.4 -0.967 17.8-136.2-142.0 159.5 18.8 33.4 -5.0 16 16 A S - 0 0 51 -2,-0.3 210,-0.2 210,-0.2 85,-0.0 -0.932 14.4-136.9-114.3 144.6 17.7 31.5 -1.9 17 17 A G S S+ 0 0 1 -2,-0.4 2,-0.5 84,-0.1 142,-0.1 0.595 90.4 77.4 -69.1 -18.8 14.4 29.7 -1.4 18 18 A L + 0 0 13 83,-0.2 -2,-0.2 1,-0.1 3,-0.1 -0.873 52.8 158.4 -96.0 125.4 14.2 31.2 2.2 19 19 A S + 0 0 25 -2,-0.5 33,-2.3 1,-0.3 2,-0.3 0.732 52.1 6.2-122.8 -28.7 13.2 34.9 2.2 20 20 A S E -D 51 0B 15 31,-0.2 15,-2.5 2,-0.0 -1,-0.3 -0.996 46.9-161.6-159.4 156.1 11.7 36.0 5.5 21 21 A I E +DE 50 34B 0 29,-2.0 29,-3.2 -2,-0.3 2,-0.3 -0.995 14.4 162.0-140.8 137.6 11.1 35.1 9.1 22 22 A A E - E 0 33B 2 11,-1.7 11,-3.1 -2,-0.3 2,-0.3 -0.916 18.1-156.3-140.2 166.3 8.7 36.5 11.8 23 23 A V E - E 0 32B 0 -2,-0.3 24,-3.4 25,-0.3 2,-0.4 -0.970 17.0-135.7-136.4 155.4 7.6 34.8 15.0 24 24 A R E +FE 46 31B 61 7,-1.9 7,-1.7 -2,-0.3 6,-1.6 -0.963 42.7 171.8 -98.5 138.1 4.7 35.1 17.4 25 25 A S E +FE 45 29B 16 20,-2.2 20,-2.5 -2,-0.4 4,-0.2 -0.997 28.8 140.6-149.7 153.9 6.1 35.0 21.0 26 26 A G S S- 0 0 34 2,-2.9 60,-0.1 -2,-0.3 17,-0.0 -0.167 95.1 -20.6-146.8-112.4 5.3 35.4 24.7 27 27 A S S S+ 0 0 94 59,-0.1 60,-0.8 -2,-0.1 62,-0.4 0.731 142.8 19.5 -74.3 -24.7 6.9 33.0 27.2 28 28 A Y S S- 0 0 79 58,-0.2 -2,-2.9 59,-0.1 2,-0.8 -0.708 99.6 -86.8-123.9 177.3 7.4 30.7 24.2 29 29 A L E -E 25 0B 0 40,-2.7 82,-2.8 82,-0.3 40,-0.3 -0.896 40.1-174.1 -79.7 107.6 7.5 30.9 20.5 30 30 A D E - 0 0 14 -6,-1.6 11,-2.5 -2,-0.8 2,-0.3 0.800 66.6 -6.6 -70.8 -29.2 3.8 30.5 19.7 31 31 A A E -EG 24 40B 0 -7,-1.7 -7,-1.9 9,-0.3 2,-0.4 -0.992 54.4-141.6-162.7 150.5 4.5 30.4 15.9 32 32 A I E -EG 23 39B 0 7,-2.3 7,-2.2 -2,-0.3 2,-0.6 -0.992 15.7-156.2-116.3 143.8 7.1 30.9 13.3 33 33 A I E -EG 22 38B 18 -11,-3.1 -11,-1.7 -2,-0.4 2,-0.5 -0.960 10.9-170.4-121.6 113.3 6.2 32.6 10.0 34 34 A I E > S-EG 21 37B 1 3,-2.3 3,-2.1 -2,-0.6 -13,-0.2 -0.946 74.4 -16.4-117.8 119.0 8.5 31.6 7.1 35 35 A D T 3 S- 0 0 15 -15,-2.5 -1,-0.2 -2,-0.5 -14,-0.1 0.837 131.1 -54.3 53.0 39.5 8.2 33.5 3.8 36 36 A G T 3 S+ 0 0 57 1,-0.2 2,-0.5 -3,-0.2 -1,-0.3 0.234 109.7 125.1 84.1 -13.0 4.8 34.7 5.2 37 37 A V E < -G 34 0B 46 -3,-2.1 -3,-2.3 102,-0.1 2,-0.3 -0.739 56.1-135.3 -88.8 121.4 3.4 31.2 5.9 38 38 A H E -G 33 0B 82 -2,-0.5 2,-0.4 -5,-0.2 -5,-0.2 -0.575 22.4-178.3 -80.6 133.7 2.3 30.8 9.6 39 39 A H E +G 32 0B 32 -7,-2.2 -7,-2.3 -2,-0.3 2,-0.3 -0.935 52.2 17.9-132.2 117.0 3.1 27.7 11.6 40 40 A G E S-G 31 0B 22 -2,-0.4 -9,-0.3 -9,-0.2 70,-0.2 -0.925 90.9 -35.5 127.2-158.5 1.8 27.5 15.2 41 41 A G - 0 0 11 -11,-2.5 68,-0.1 68,-0.7 69,-0.1 -0.094 46.4-111.3 -96.7-170.8 -0.9 29.1 17.4 42 42 A S S S+ 0 0 103 -2,-0.0 4,-0.1 -11,-0.0 -11,-0.1 0.368 77.5 106.4-106.7 0.7 -2.4 32.5 17.8 43 43 A G + 0 0 32 66,-0.4 -13,-0.1 -13,-0.1 -12,-0.0 -0.016 60.9 29.5 -72.3-179.1 -1.0 33.4 21.2 44 44 A G S S- 0 0 29 -20,-0.1 2,-0.4 -14,-0.1 -18,-0.2 -0.172 97.9 -60.9 64.0-161.3 1.8 35.8 22.1 45 45 A N E -F 25 0B 123 -20,-2.5 -20,-2.2 0, 0.0 2,-0.4 -0.930 47.4-110.9-124.0 145.2 2.6 38.9 20.0 46 46 A L E -F 24 0B 106 -2,-0.4 -22,-0.3 -22,-0.2 3,-0.1 -0.611 30.1-142.5 -82.0 126.0 3.6 39.1 16.4 47 47 A S - 0 0 10 -24,-3.4 -1,-0.1 -2,-0.4 3,-0.0 -0.371 30.0 -91.3 -74.3 162.1 7.2 40.2 15.7 48 48 A P - 0 0 90 0, 0.0 2,-0.4 0, 0.0 -25,-0.3 -0.305 52.2 -98.2 -63.5 164.9 8.2 42.5 12.8 49 49 A T - 0 0 89 -27,-0.1 2,-0.7 -3,-0.1 -27,-0.2 -0.725 26.1-148.5 -90.9 132.4 9.3 40.5 9.7 50 50 A F E -D 21 0B 14 -29,-3.2 -29,-2.0 -2,-0.4 2,-0.5 -0.902 16.8-166.0 -95.2 115.5 13.0 40.0 9.0 51 51 A T E -D 20 0B 83 -2,-0.7 2,-0.3 -31,-0.2 -31,-0.2 -0.918 17.9-127.2-105.5 123.2 13.5 39.9 5.2 52 52 A F - 0 0 24 -33,-2.3 3,-0.1 -2,-0.5 2,-0.1 -0.512 21.4-143.2 -68.8 130.6 16.8 38.6 3.9 53 53 A G > - 0 0 37 -2,-0.3 3,-2.1 1,-0.2 2,-0.1 -0.219 47.3 -56.8 -76.2 177.2 18.6 40.9 1.5 54 54 A S T 3 S+ 0 0 129 1,-0.3 -1,-0.2 -2,-0.1 3,-0.1 -0.356 127.3 1.0 -54.9 126.8 20.6 39.7 -1.5 55 55 A G T 3 S+ 0 0 63 1,-0.2 2,-0.4 -41,-0.2 -1,-0.3 0.657 99.6 135.9 69.4 15.1 23.3 37.2 -0.4 56 56 A E < + 0 0 14 -3,-2.1 2,-0.3 21,-0.1 -1,-0.2 -0.840 23.3 161.0-103.1 132.9 22.2 37.6 3.3 57 57 A Y - 0 0 78 -2,-0.4 20,-2.0 -3,-0.1 2,-0.4 -0.953 47.9 -87.2-146.7 157.9 21.9 34.5 5.4 58 58 A I E +H 76 0C 1 42,-0.3 42,-2.4 -2,-0.3 18,-0.3 -0.615 41.4 172.7 -68.3 122.6 21.8 33.5 9.1 59 59 A S E + 0 0 27 16,-2.4 39,-2.4 -2,-0.4 38,-0.5 0.575 67.5 20.0-103.1 -17.6 25.5 33.1 10.3 60 60 A N E +HI 75 96C 44 15,-1.7 15,-2.4 36,-0.2 2,-0.3 -0.985 65.5 179.5-157.3 134.3 24.8 32.6 14.0 61 61 A M E -HI 74 95C 1 34,-2.2 34,-2.9 -2,-0.3 2,-0.5 -0.999 14.7-159.7-145.1 142.1 21.7 31.6 16.0 62 62 A T E -HI 73 94C 40 11,-2.8 11,-2.0 -2,-0.3 2,-0.5 -0.995 15.0-177.0-123.0 123.6 20.8 31.1 19.7 63 63 A I E -HI 72 93C 2 30,-2.5 30,-1.9 -2,-0.5 2,-0.5 -0.990 14.0-157.2-121.4 124.4 17.7 28.9 20.4 64 64 A R E +HI 71 92C 74 7,-1.8 7,-1.9 -2,-0.5 6,-1.8 -0.887 32.8 160.5 -93.1 132.6 16.4 28.3 23.9 65 65 A S E +HI 69 91C 15 26,-2.5 26,-1.6 -2,-0.5 4,-0.2 -0.991 24.9 149.4-151.5 159.8 14.3 25.1 23.9 66 66 A G S S- 0 0 38 2,-2.6 64,-0.1 -2,-0.3 3,-0.0 -0.175 91.8 -18.3-148.1-113.5 12.8 22.3 26.1 67 67 A D S S+ 0 0 128 63,-0.1 64,-1.0 64,-0.1 66,-0.4 0.718 142.6 18.3 -71.6 -20.4 9.6 20.5 25.1 68 68 A Y S S- 0 0 75 62,-0.2 -2,-2.6 63,-0.1 2,-0.8 -0.704 100.9 -82.3-130.2-176.3 9.0 23.6 22.8 69 69 A I E -H 65 0C 0 42,-2.9 -40,-2.7 -40,-0.3 42,-0.3 -0.866 43.3-179.4 -91.6 115.8 11.0 26.4 21.3 70 70 A D E - 0 0 13 -6,-1.8 17,-2.3 -2,-0.8 2,-0.3 0.823 61.4 -3.3 -80.5 -37.7 11.3 29.0 24.2 71 71 A N E -HJ 64 86C 20 -7,-1.9 -7,-1.8 15,-0.2 2,-0.4 -0.996 55.3-161.7-157.9 145.6 13.3 31.7 22.4 72 72 A I E +HJ 63 85C 0 13,-2.1 13,-2.2 -2,-0.3 2,-0.3 -0.999 12.9 165.7-131.8 142.7 15.0 32.5 19.1 73 73 A S E +H 62 0C 25 -11,-2.0 -11,-2.8 -2,-0.4 2,-0.3 -0.979 9.3 176.4-143.3 149.7 17.7 35.0 18.2 74 74 A F E -HJ 61 82C 4 8,-2.1 8,-3.0 -2,-0.3 2,-0.3 -0.979 18.1-155.0-148.9 157.6 19.9 35.2 15.1 75 75 A E E -HJ 60 81C 55 -15,-2.4 -16,-2.4 -2,-0.3 -15,-1.7 -0.974 19.3-142.1-129.6 141.5 22.5 37.4 13.4 76 76 A T E > -H 58 0C 3 4,-2.2 3,-2.2 -2,-0.3 -18,-0.2 -0.562 32.2-100.3 -96.9 167.7 23.2 37.5 9.6 77 77 A N T 3 S+ 0 0 67 -20,-2.0 -19,-0.1 1,-0.3 -21,-0.1 0.714 124.5 60.0 -53.2 -24.6 26.5 37.7 7.6 78 78 A M T 3 S- 0 0 115 -21,-0.3 -1,-0.3 2,-0.1 -20,-0.1 0.375 121.1-110.1 -90.6 8.0 25.5 41.4 7.2 79 79 A G S < S+ 0 0 30 -3,-2.2 2,-0.3 1,-0.3 -2,-0.1 0.584 70.1 143.5 74.9 14.5 25.6 41.9 11.0 80 80 A R - 0 0 103 1,-0.0 -4,-2.2 2,-0.0 2,-0.4 -0.620 37.0-145.7 -84.3 147.4 21.8 42.3 11.3 81 81 A R E -J 75 0C 162 -2,-0.3 2,-0.5 -6,-0.2 -6,-0.2 -0.882 12.9-165.0-120.8 140.7 20.1 40.8 14.3 82 82 A F E -J 74 0C 9 -8,-3.0 -8,-2.1 -2,-0.4 3,-0.2 -0.991 45.1 -63.1-118.7 127.6 16.6 39.3 14.9 83 83 A G E - 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