==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=31-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER SUGAR BINDING PROTEIN 29-APR-06 2GUD . 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) . 10268.0 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 0 107 0, 0.0 241,-2.6 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0 120.3 22.2 11.4 3.4 2 2 A L E +A 241 0A 42 239,-0.2 2,-0.3 122,-0.1 239,-0.2 -0.550 360.0 132.6 -77.9 130.1 22.1 15.2 3.2 3 3 A T E -A 240 0A 53 237,-2.8 237,-2.5 -2,-0.3 2,-0.3 -0.863 39.1-134.5-154.8-177.6 23.5 16.6 -0.0 4 4 A H E -A 239 0A 74 -2,-0.3 2,-0.4 235,-0.2 235,-0.2 -0.986 9.4-161.4-149.1 156.0 22.8 19.1 -2.8 5 5 A R E -A 238 0A 99 233,-2.0 233,-2.7 -2,-0.3 2,-0.4 -0.997 10.7-143.7-140.1 137.1 23.0 19.1 -6.5 6 6 A K E -A 237 0A 127 -2,-0.4 2,-0.4 231,-0.3 231,-0.2 -0.793 17.0-172.8 -99.4 136.4 23.2 21.9 -9.1 7 7 A F E +A 236 0A 6 229,-2.7 229,-2.2 -2,-0.4 2,-0.2 -0.978 44.9 25.9-126.7 142.6 21.4 21.6 -12.4 8 8 A G E S-A 235 0A 28 -2,-0.4 227,-0.2 227,-0.2 182,-0.2 -0.636 86.0 -42.0 107.8-163.1 21.6 24.1 -15.3 9 9 A G - 0 0 14 225,-2.1 180,-0.1 180,-0.8 181,-0.1 -0.038 52.2 -97.0-100.5-167.1 24.1 26.6 -16.6 10 10 A S S S+ 0 0 122 225,-0.0 225,-0.1 -2,-0.0 180,-0.1 0.441 81.8 95.0 -98.1 -1.8 26.3 29.3 -15.3 11 11 A G + 0 0 26 178,-0.4 224,-0.1 223,-0.1 223,-0.1 -0.080 52.0 47.7 -84.6-176.7 24.3 32.5 -15.7 12 12 A G S S- 0 0 39 216,-0.1 218,-0.2 222,-0.1 221,-0.1 -0.055 82.6 -71.5 80.7-179.3 22.0 34.5 -13.6 13 13 A S E -B 229 0A 84 216,-2.6 216,-2.2 1,-0.0 221,-0.1 -0.900 53.9-101.4-112.6 141.7 22.2 35.9 -10.2 14 14 A P E -B 228 0A 116 0, 0.0 2,-0.3 0, 0.0 214,-0.3 -0.226 39.1-179.8 -65.6 148.0 21.9 33.6 -7.1 15 15 A F E -B 227 0A 28 212,-2.7 212,-1.9 39,-0.1 2,-0.4 -0.968 17.4-139.9-139.2 159.2 18.8 33.3 -5.0 16 16 A S - 0 0 50 -2,-0.3 210,-0.2 210,-0.2 140,-0.1 -0.935 16.0-135.8-115.5 146.5 17.7 31.4 -1.9 17 17 A G S S+ 0 0 1 -2,-0.4 2,-0.6 84,-0.1 142,-0.1 0.591 89.6 79.6 -69.9 -15.5 14.4 29.8 -1.3 18 18 A L + 0 0 12 83,-0.2 -2,-0.1 1,-0.1 3,-0.1 -0.906 51.4 157.9 -98.7 117.4 14.3 31.2 2.2 19 19 A S + 0 0 24 -2,-0.6 33,-2.2 1,-0.3 2,-0.3 0.721 52.2 5.8-114.4 -33.0 13.2 34.9 2.2 20 20 A S E -D 51 0B 14 31,-0.2 15,-2.5 2,-0.0 2,-0.4 -0.999 47.2-159.9-157.5 157.4 11.8 36.0 5.5 21 21 A I E +DE 50 34B 1 29,-2.3 29,-3.0 -2,-0.3 2,-0.3 -1.000 15.0 161.0-138.7 138.0 11.1 35.1 9.1 22 22 A A E - E 0 33B 2 11,-1.9 11,-3.0 -2,-0.4 2,-0.3 -0.924 17.5-155.9-137.4 169.2 8.8 36.4 11.8 23 23 A V E - E 0 32B 0 25,-0.3 24,-3.2 -2,-0.3 2,-0.4 -0.972 17.2-136.9-136.3 158.7 7.6 34.9 15.0 24 24 A R E +FE 46 31B 59 7,-2.1 6,-1.7 -2,-0.3 7,-1.6 -0.966 42.6 173.2-104.4 136.1 4.7 35.1 17.4 25 25 A S E +FE 45 29B 16 20,-2.3 20,-2.4 -2,-0.4 4,-0.2 -0.993 28.7 139.1-147.4 153.2 6.1 35.0 20.9 26 26 A G S S- 0 0 36 2,-2.6 60,-0.2 -2,-0.3 3,-0.0 -0.187 94.1 -20.8-144.8-112.1 5.3 35.3 24.5 27 27 A S S S+ 0 0 93 59,-0.1 60,-0.9 -2,-0.1 62,-0.4 0.733 142.5 16.8 -73.9 -23.5 6.9 33.0 27.1 28 28 A Y S S- 0 0 78 58,-0.2 -2,-2.6 59,-0.1 2,-0.8 -0.741 100.7 -84.1-125.4 179.7 7.5 30.6 24.1 29 29 A L E -E 25 0B 0 40,-2.7 82,-2.7 82,-0.3 40,-0.3 -0.866 40.4-173.5 -82.1 112.6 7.5 30.9 20.4 30 30 A D E - 0 0 14 -6,-1.7 11,-2.4 -2,-0.8 2,-0.3 0.791 66.4 -8.8 -71.3 -32.3 3.8 30.5 19.6 31 31 A A E -EG 24 40B 0 -7,-1.6 -7,-2.1 9,-0.3 2,-0.4 -0.989 54.8-140.0-160.6 156.4 4.5 30.4 15.9 32 32 A I E -EG 23 39B 1 7,-2.3 7,-2.2 -2,-0.3 2,-0.5 -0.971 15.5-154.5-121.6 142.0 7.1 30.9 13.2 33 33 A I E -EG 22 38B 19 -11,-3.0 -11,-1.9 -2,-0.4 2,-0.6 -0.967 11.7-170.6-119.4 113.1 6.2 32.6 10.0 34 34 A I E > S-EG 21 37B 1 3,-2.3 3,-2.3 -2,-0.5 -13,-0.2 -0.924 73.9 -17.5-114.7 118.4 8.4 31.5 7.1 35 35 A D T 3 S- 0 0 15 -15,-2.5 -1,-0.2 -2,-0.6 -14,-0.1 0.867 130.9 -52.8 53.7 36.0 8.1 33.5 3.8 36 36 A G T 3 S+ 0 0 58 1,-0.2 2,-0.5 -3,-0.2 -1,-0.3 0.207 110.5 124.5 90.3 -16.0 4.8 34.7 5.2 37 37 A V E < -G 34 0B 46 -3,-2.3 -3,-2.3 102,-0.1 2,-0.3 -0.704 55.8-135.3 -89.5 123.4 3.4 31.2 6.0 38 38 A H E -G 33 0B 82 -2,-0.5 2,-0.4 -5,-0.2 -5,-0.2 -0.579 22.3-179.3 -82.8 133.9 2.3 30.8 9.5 39 39 A H E +G 32 0B 33 -7,-2.2 -7,-2.3 -2,-0.3 2,-0.3 -0.944 52.9 19.0-133.7 112.0 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 -0.915 89.8 -38.7 131.2-161.5 1.8 27.5 15.2 41 41 A G - 0 0 10 -11,-2.4 68,-0.1 68,-0.7 69,-0.1 -0.089 46.1-108.9 -94.5-168.4 -0.8 29.1 17.3 42 42 A S S S+ 0 0 103 -2,-0.0 -11,-0.1 -11,-0.0 68,-0.1 0.363 77.3 104.5-109.2 2.7 -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 -0.074 61.7 31.0 -76.6-178.4 -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 -0.192 96.5 -62.5 65.7-162.3 1.8 35.8 22.0 45 45 A N E -F 25 0B 124 -20,-2.4 -20,-2.3 0, 0.0 2,-0.5 -0.939 46.5-113.1-124.8 143.8 2.6 38.9 19.9 46 46 A L E -F 24 0B 102 -2,-0.4 -22,-0.2 -22,-0.2 3,-0.1 -0.651 29.0-142.6 -80.7 125.1 3.7 39.0 16.3 47 47 A S - 0 0 9 -24,-3.2 3,-0.0 -2,-0.5 -1,-0.0 -0.366 31.0 -89.6 -70.9 161.7 7.2 40.3 15.7 48 48 A P - 0 0 94 0, 0.0 2,-0.4 0, 0.0 -25,-0.3 -0.272 52.7 -99.2 -59.0 159.3 8.2 42.4 12.7 49 49 A T - 0 0 87 -27,-0.1 2,-0.6 -3,-0.1 -27,-0.2 -0.735 25.8-147.2 -88.1 131.7 9.2 40.5 9.7 50 50 A F E -D 21 0B 14 -29,-3.0 -29,-2.3 -2,-0.4 2,-0.5 -0.901 16.3-165.5 -95.7 117.1 12.9 40.0 8.9 51 51 A T E -D 20 0B 82 -2,-0.6 2,-0.2 -31,-0.2 -31,-0.2 -0.926 17.6-128.1-109.9 123.9 13.5 39.9 5.2 52 52 A F - 0 0 25 -33,-2.2 3,-0.1 -2,-0.5 2,-0.1 -0.488 21.1-140.7 -69.7 131.6 16.8 38.6 3.9 53 53 A G > - 0 0 37 -2,-0.2 3,-2.3 1,-0.2 -1,-0.1 -0.269 46.2 -60.0 -75.7 175.4 18.6 40.9 1.5 54 54 A S T 3 S+ 0 0 131 1,-0.3 -1,-0.2 -2,-0.1 3,-0.1 -0.362 127.0 3.6 -58.8 129.0 20.5 39.6 -1.5 55 55 A G T 3 S+ 0 0 63 1,-0.2 2,-0.4 -41,-0.2 -1,-0.3 0.611 100.0 133.4 69.1 12.5 23.2 37.3 -0.4 56 56 A E < + 0 0 15 -3,-2.3 2,-0.3 21,-0.1 -1,-0.2 -0.819 24.3 158.5 -98.8 137.8 22.2 37.6 3.3 57 57 A Y - 0 0 79 -2,-0.4 20,-2.1 -3,-0.1 2,-0.4 -0.964 48.0 -84.6-150.1 159.1 21.9 34.5 5.4 58 58 A I E +H 76 0C 2 42,-0.3 42,-2.0 -2,-0.3 18,-0.3 -0.606 40.9 172.1 -69.0 124.5 21.9 33.5 9.1 59 59 A S E + 0 0 25 16,-2.4 39,-2.3 -2,-0.4 38,-0.6 0.588 67.0 18.0-106.9 -21.0 25.4 33.1 10.3 60 60 A N E +HI 75 96C 50 15,-1.8 15,-2.5 36,-0.2 -1,-0.3 -0.986 65.7 177.3-150.5 147.1 24.8 32.6 14.0 61 61 A M E -HI 74 95C 3 34,-2.3 34,-2.7 -2,-0.3 2,-0.4 -0.988 16.3-156.8-153.7 144.5 21.8 31.7 16.0 62 62 A T E -HI 73 94C 39 11,-2.4 11,-1.9 -2,-0.3 2,-0.4 -0.993 14.6-175.6-123.5 126.3 20.8 31.0 19.6 63 63 A I E -HI 72 93C 1 30,-2.7 30,-2.2 -2,-0.4 2,-0.5 -0.981 12.7-157.2-120.5 130.3 17.8 28.9 20.4 64 64 A R E +HI 71 92C 74 7,-2.2 6,-2.1 -2,-0.4 7,-1.9 -0.933 32.5 158.5 -99.1 134.3 16.4 28.2 23.8 65 65 A S E +HI 69 91C 16 26,-2.3 26,-1.8 -2,-0.5 4,-0.2 -0.980 24.9 149.5-153.4 162.6 14.3 25.1 23.9 66 66 A G S S- 0 0 37 2,-2.6 64,-0.1 -2,-0.3 23,-0.0 -0.267 91.7 -18.0-150.7-112.6 12.9 22.2 25.9 67 67 A D S S+ 0 0 126 63,-0.1 64,-1.0 -2,-0.1 66,-0.4 0.752 142.6 19.3 -72.4 -24.8 9.7 20.6 25.0 68 68 A Y S S- 0 0 76 62,-0.2 -2,-2.6 63,-0.1 2,-0.7 -0.680 100.2 -85.1-126.5 178.9 9.0 23.6 22.8 69 69 A I E -H 65 0C 0 42,-2.8 -40,-2.7 -40,-0.3 42,-0.3 -0.879 42.8-179.4 -87.1 115.2 11.0 26.4 21.3 70 70 A D E - 0 0 12 -6,-2.1 17,-2.2 -2,-0.7 2,-0.3 0.796 60.8 -3.0 -82.3 -35.7 11.3 29.0 24.1 71 71 A N E -HJ 64 86C 20 -7,-1.9 -7,-2.2 15,-0.2 2,-0.4 -0.992 54.7-162.6-160.7 145.3 13.3 31.7 22.3 72 72 A I E +HJ 63 85C 2 13,-2.1 13,-2.0 -2,-0.3 2,-0.3 -1.000 12.6 165.2-133.0 145.2 15.1 32.5 19.1 73 73 A S E +H 62 0C 25 -11,-1.9 -11,-2.4 -2,-0.4 2,-0.3 -0.982 9.8 173.8-145.3 148.9 17.7 35.0 18.1 74 74 A F E -HJ 61 82C 7 8,-2.3 8,-2.6 -2,-0.3 2,-0.3 -0.992 18.4-152.9-149.0 164.3 19.9 35.2 15.1 75 75 A E E -HJ 60 81C 70 -15,-2.5 -16,-2.4 -2,-0.3 -15,-1.8 -0.979 18.7-140.1-134.0 146.7 22.5 37.4 13.3 76 76 A T E > -H 58 0C 2 4,-2.3 3,-2.1 -2,-0.3 -18,-0.2 -0.518 31.9-100.4-100.5 171.2 23.2 37.5 9.6 77 77 A N T 3 S+ 0 0 67 -20,-2.1 -19,-0.1 1,-0.3 -21,-0.1 0.721 124.0 59.6 -59.4 -22.7 26.4 37.8 7.6 78 78 A M T 3 S- 0 0 120 -21,-0.3 -1,-0.3 2,-0.1 3,-0.1 0.379 120.5-110.3 -86.3 2.9 25.5 41.4 7.2 79 79 A G S < S+ 0 0 38 -3,-2.1 2,-0.2 1,-0.3 -2,-0.1 0.554 70.7 142.2 79.8 11.5 25.5 41.9 11.0 80 80 A R - 0 0 106 1,-0.0 -4,-2.3 2,-0.0 2,-0.4 -0.578 38.0-144.9 -86.5 147.1 21.7 42.4 11.3 81 81 A R E -J 75 0C 181 -6,-0.2 2,-0.4 -2,-0.2 -6,-0.2 -0.883 13.9-164.9-117.7 145.3 20.0 40.9 14.3 82 82 A F E -J 74 0C 9 -8,-2.6 -8,-2.3 -2,-0.4 3,-0.2 -0.995 45.6 -63.5-124.1 125.5 16.6 39.3 14.8 83 83 A G E - 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