==== 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 09-NOV-06 2NUO . 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) . 10293.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 172 71.1 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 . 22 9.1 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 0 127 0, 0.0 241,-0.7 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0 135.1 -12.2 -14.5 -3.3 2 2 A L E +A 241 0A 10 122,-0.3 2,-0.2 239,-0.2 239,-0.2 -0.588 360.0 159.0 -73.2 130.3 -12.2 -10.9 -4.3 3 3 A T E -A 240 0A 52 237,-2.5 237,-2.3 -2,-0.3 2,-0.3 -0.819 20.4-151.8-140.5 172.9 -11.2 -10.3 -7.9 4 4 A H E -A 239 0A 82 235,-0.3 2,-0.3 -2,-0.2 235,-0.2 -0.988 5.4-160.5-147.4 160.7 -11.6 -7.5 -10.4 5 5 A R E -A 238 0A 84 233,-1.9 233,-2.7 -2,-0.3 2,-0.4 -0.992 13.9-141.6-142.0 136.5 -11.9 -6.8 -14.1 6 6 A K E -A 237 0A 112 -2,-0.3 2,-0.3 231,-0.2 231,-0.2 -0.802 16.7-174.6 -96.6 143.8 -11.3 -3.6 -16.0 7 7 A F E +A 236 0A 5 229,-2.6 229,-2.2 -2,-0.4 2,-0.2 -0.986 44.2 20.5-133.5 143.3 -13.5 -2.6 -19.1 8 8 A G E S-A 235 0A 23 -2,-0.3 227,-0.3 227,-0.2 182,-0.2 -0.599 82.4 -46.5 102.1-165.5 -13.0 0.4 -21.4 9 9 A G - 0 0 9 225,-2.2 180,-0.1 180,-0.8 181,-0.1 -0.064 48.8 -95.2-102.2-164.0 -10.3 2.8 -22.4 10 10 A S S S+ 0 0 125 -2,-0.1 225,-0.1 225,-0.0 180,-0.1 0.491 82.1 98.8 -97.4 -4.7 -7.6 5.0 -21.0 11 11 A G + 0 0 27 178,-0.4 223,-0.1 223,-0.1 224,-0.1 -0.089 53.7 43.0 -80.5 175.5 -9.3 8.4 -20.8 12 12 A G S S- 0 0 41 222,-0.1 218,-0.3 216,-0.1 221,-0.1 -0.049 83.5 -69.6 84.1 175.5 -11.0 10.3 -18.0 13 13 A S E -B 229 0A 87 216,-2.9 216,-2.2 1,-0.1 221,-0.1 -0.873 56.4-101.7-107.2 140.4 -10.2 11.0 -14.3 14 14 A P E +B 228 0A 96 0, 0.0 2,-0.3 0, 0.0 214,-0.3 -0.236 40.0 179.2 -69.4 146.0 -10.4 8.1 -11.7 15 15 A F E -B 227 0A 25 212,-2.7 212,-2.1 39,-0.1 2,-0.3 -0.979 16.2-145.0-136.4 162.5 -13.3 7.7 -9.4 16 16 A S - 0 0 46 -2,-0.3 210,-0.2 210,-0.2 36,-0.0 -0.936 18.9-135.1-121.9 148.4 -14.4 5.2 -6.6 17 17 A G S S+ 0 0 2 -2,-0.3 2,-0.9 84,-0.1 142,-0.1 0.693 91.7 82.2 -72.8 -19.7 -17.8 4.0 -5.7 18 18 A L + 0 0 10 83,-0.2 -2,-0.1 1,-0.2 3,-0.1 -0.817 53.8 156.7 -89.2 104.4 -16.9 4.6 -1.9 19 19 A S + 0 0 25 -2,-0.9 33,-2.2 1,-0.3 2,-0.3 0.788 53.1 1.9 -97.3 -43.7 -17.6 8.4 -1.5 20 20 A S E -D 51 0B 17 31,-0.2 15,-2.1 2,-0.0 2,-0.3 -0.995 48.7-160.4-153.7 154.9 -18.3 9.1 2.2 21 21 A I E +DE 50 34B 0 29,-2.3 29,-3.2 -2,-0.3 2,-0.3 -0.998 15.7 159.8-136.5 137.9 -18.6 7.6 5.7 22 22 A A E - E 0 33B 2 11,-1.9 11,-3.1 -2,-0.3 2,-0.3 -0.910 18.3-154.6-136.2 173.4 -20.3 8.8 8.9 23 23 A V E - E 0 32B 0 25,-0.3 24,-3.3 -2,-0.3 2,-0.5 -0.960 17.1-137.7-139.4 159.1 -21.3 6.9 12.0 24 24 A R E +FE 46 31B 65 7,-2.1 7,-1.8 -2,-0.3 6,-1.7 -0.980 42.7 170.3-106.8 134.2 -23.8 7.1 14.8 25 25 A S E +FE 45 29B 14 20,-2.3 20,-2.5 -2,-0.5 4,-0.2 -0.981 27.9 146.7-150.7 147.4 -22.0 6.1 18.0 26 26 A G S S- 0 0 33 2,-2.6 60,-0.2 -2,-0.3 -1,-0.0 -0.151 93.7 -25.7-134.6-111.1 -22.2 5.9 21.8 27 27 A S S S+ 0 0 92 -2,-0.1 60,-0.9 59,-0.1 62,-0.4 0.699 142.4 22.1 -77.3 -23.7 -20.5 3.1 23.6 28 28 A Y S S- 0 0 83 58,-0.2 -2,-2.6 60,-0.1 2,-0.9 -0.701 100.1 -87.1-122.5 178.7 -20.9 1.1 20.3 29 29 A L E -E 25 0B 0 40,-2.8 82,-2.8 82,-0.3 40,-0.3 -0.893 38.4-175.6 -87.3 110.1 -21.4 1.9 16.7 30 30 A D E - 0 0 14 -6,-1.7 11,-2.4 -2,-0.9 2,-0.3 0.803 66.9 -9.4 -70.1 -34.7 -25.1 2.2 16.4 31 31 A A E -EG 24 40B 0 -7,-1.8 -7,-2.1 9,-0.3 2,-0.4 -0.992 53.1-140.3-160.5 157.5 -24.9 2.7 12.6 32 32 A I E -EG 23 39B 0 7,-2.2 7,-2.6 -2,-0.3 2,-0.6 -0.976 17.2-151.8-123.1 140.2 -22.6 3.3 9.7 33 33 A I E -EG 22 38B 20 -11,-3.1 -11,-1.9 -2,-0.4 2,-0.6 -0.966 13.4-171.4-118.6 104.9 -23.7 5.7 7.0 34 34 A I E > S-EG 21 37B 1 3,-2.3 3,-2.1 -2,-0.6 -13,-0.2 -0.939 73.1 -19.3-107.5 118.3 -22.1 4.9 3.6 35 35 A D T 3 S- 0 0 15 -15,-2.1 -1,-0.2 -2,-0.6 -14,-0.1 0.864 130.7 -51.6 52.5 40.2 -22.6 7.3 0.8 36 36 A G T 3 S+ 0 0 60 1,-0.2 2,-0.5 -16,-0.1 -1,-0.3 0.308 110.8 125.3 85.2 -9.1 -25.5 8.7 2.8 37 37 A V E < -G 34 0B 46 -3,-2.1 -3,-2.3 102,-0.1 2,-0.4 -0.755 56.5-135.6 -94.3 118.2 -27.2 5.3 3.3 38 38 A H E -G 33 0B 89 -2,-0.5 2,-0.5 -5,-0.2 -5,-0.2 -0.622 21.0-176.3 -77.7 125.4 -27.9 4.5 7.0 39 39 A H E +G 32 0B 26 -7,-2.6 -7,-2.2 -2,-0.4 2,-0.3 -0.915 55.4 14.6-123.1 104.9 -27.1 1.0 8.2 40 40 A G E S-G 31 0B 23 -2,-0.5 -9,-0.3 -9,-0.2 70,-0.2 -0.965 90.9 -36.2 132.9-158.3 -28.1 0.3 11.8 41 41 A G - 0 0 12 -11,-2.4 68,-0.1 68,-0.7 69,-0.1 -0.165 46.4-106.2 -98.2-168.1 -30.2 1.9 14.5 42 42 A S S S+ 0 0 110 -2,-0.1 -11,-0.1 -11,-0.0 68,-0.1 0.409 78.9 105.4-105.7 -1.8 -31.2 5.2 15.8 43 43 A G + 0 0 31 66,-0.4 -13,-0.1 -13,-0.1 -12,-0.0 -0.055 61.6 26.8 -70.0 179.2 -29.1 5.3 19.0 44 44 A G S S- 0 0 26 -20,-0.1 2,-0.4 -14,-0.1 -18,-0.3 -0.062 92.2 -59.4 63.6-166.3 -26.0 7.3 19.7 45 45 A N E -F 25 0B 122 -20,-2.5 -20,-2.3 0, 0.0 2,-0.4 -0.913 46.9-109.4-121.4 144.6 -24.8 10.5 18.2 46 46 A L E -F 24 0B 109 -2,-0.4 -22,-0.2 -22,-0.2 3,-0.1 -0.579 30.6-147.7 -77.6 123.1 -24.1 11.4 14.6 47 47 A S - 0 0 11 -24,-3.3 -1,-0.0 -2,-0.4 38,-0.0 -0.361 31.6 -87.5 -73.6 167.2 -20.5 12.0 13.6 48 48 A P - 0 0 86 0, 0.0 2,-0.4 0, 0.0 -25,-0.3 -0.317 50.2-103.7 -65.6 162.3 -19.3 14.4 11.0 49 49 A T - 0 0 90 -27,-0.1 2,-0.6 -3,-0.1 -27,-0.2 -0.764 25.5-150.3 -94.3 132.5 -19.2 13.0 7.4 50 50 A F E -D 21 0B 26 -29,-3.2 -29,-2.3 -2,-0.4 2,-0.5 -0.917 11.7-164.2-102.6 125.6 -15.9 12.1 5.9 51 51 A T E -D 20 0B 94 -2,-0.6 2,-0.2 -31,-0.2 -31,-0.2 -0.930 14.2-133.1-114.3 124.7 -15.7 12.5 2.2 52 52 A F - 0 0 24 -33,-2.2 2,-0.1 -2,-0.5 -36,-0.1 -0.531 16.6-140.4 -77.5 135.6 -13.0 10.9 0.2 53 53 A G > - 0 0 38 -2,-0.2 3,-2.1 1,-0.2 -1,-0.1 -0.384 42.9 -69.1 -77.0 170.8 -11.1 12.9 -2.4 54 54 A S T 3 S+ 0 0 104 1,-0.3 -1,-0.2 -2,-0.1 3,-0.1 -0.371 124.6 13.2 -57.1 133.9 -10.1 11.6 -5.8 55 55 A G T 3 S+ 0 0 53 1,-0.2 2,-0.4 -3,-0.1 -1,-0.3 0.399 101.1 127.2 78.8 1.6 -7.3 9.1 -5.4 56 56 A E < + 0 0 14 -3,-2.1 2,-0.3 21,-0.1 -1,-0.2 -0.725 27.6 157.7 -98.4 141.3 -7.9 8.9 -1.6 57 57 A Y - 0 0 62 -2,-0.4 20,-2.2 -3,-0.1 2,-0.4 -0.979 47.8 -84.9-153.4 159.2 -8.5 5.7 0.3 58 58 A I E +H 76 0C 1 42,-0.3 42,-2.1 -2,-0.3 18,-0.3 -0.578 40.9 170.9 -64.8 122.6 -8.3 4.1 3.7 59 59 A S E + 0 0 20 16,-2.5 39,-2.1 -2,-0.4 38,-0.7 0.568 66.8 18.6-108.9 -20.7 -4.7 2.9 4.3 60 60 A N E +HI 75 96C 55 15,-1.8 15,-2.5 36,-0.2 -1,-0.3 -0.981 66.5 176.9-150.0 146.5 -4.9 2.0 8.0 61 61 A M E -HI 74 95C 2 34,-2.3 34,-2.8 -2,-0.3 2,-0.5 -0.994 18.5-154.4-152.0 144.9 -7.8 1.3 10.3 62 62 A T E -HI 73 94C 37 11,-2.3 11,-1.9 -2,-0.3 2,-0.5 -0.991 15.5-176.5-124.2 122.6 -8.5 0.2 13.9 63 63 A I E -HI 72 93C 2 30,-3.0 30,-1.9 -2,-0.5 2,-0.4 -0.989 10.5-158.6-119.8 122.0 -11.8 -1.5 14.6 64 64 A R E +HI 71 92C 62 7,-2.2 6,-2.1 -2,-0.5 7,-1.5 -0.840 29.4 160.4 -95.0 136.9 -12.7 -2.5 18.2 65 65 A S E +HI 69 91C 17 26,-2.2 26,-2.1 -2,-0.4 4,-0.2 -0.995 26.0 150.5-155.6 158.4 -15.3 -5.2 18.3 66 66 A G S S- 0 0 38 2,-2.5 64,-0.1 -2,-0.3 3,-0.0 -0.179 92.6 -18.0-144.3-109.0 -16.9 -8.0 20.3 67 67 A D S S+ 0 0 124 -2,-0.1 64,-0.8 64,-0.1 66,-0.4 0.810 142.8 17.5 -71.8 -30.0 -20.5 -9.0 19.7 68 68 A Y S S- 0 0 71 62,-0.2 -2,-2.5 63,-0.1 2,-0.7 -0.638 101.5 -81.3-125.7 176.6 -20.9 -5.6 17.9 69 69 A I E -H 65 0C 0 42,-2.7 -40,-2.8 -40,-0.3 42,-0.3 -0.840 43.9-178.3 -81.4 120.5 -18.5 -3.0 16.4 70 70 A D E - 0 0 10 -6,-2.1 17,-2.5 -2,-0.7 2,-0.3 0.761 61.0 -3.8 -86.6 -32.2 -17.5 -1.0 19.5 71 71 A N E -HJ 64 86C 17 -7,-1.5 -7,-2.2 15,-0.3 2,-0.4 -0.985 54.7-161.0-166.2 142.5 -15.2 1.7 17.8 72 72 A I E +HJ 63 85C 2 13,-2.1 13,-1.9 -2,-0.3 2,-0.3 -0.999 14.1 163.0-133.4 140.8 -13.8 2.7 14.4 73 73 A S E +H 62 0C 29 -11,-1.9 -11,-2.3 -2,-0.4 2,-0.3 -0.971 10.9 176.1-143.1 149.6 -10.9 4.9 13.4 74 74 A F E -HJ 61 82C 6 8,-2.2 8,-2.3 -2,-0.3 2,-0.3 -0.983 18.8-151.3-149.8 163.9 -9.0 5.2 10.1 75 75 A E E -HJ 60 81C 48 -15,-2.5 -16,-2.5 -2,-0.3 -15,-1.8 -0.981 19.4-138.3-130.2 143.8 -6.3 7.1 8.2 76 76 A T E > -H 58 0C 1 4,-2.6 3,-2.0 -2,-0.3 -18,-0.2 -0.574 30.3-104.0 -98.7 167.3 -6.1 7.6 4.5 77 77 A N T 3 S+ 0 0 64 -20,-2.2 -19,-0.1 1,-0.3 -1,-0.1 0.658 122.3 55.9 -60.3 -15.0 -3.2 7.5 2.1 78 78 A M T 3 S- 0 0 85 -21,-0.2 -1,-0.3 2,-0.1 -20,-0.1 0.257 122.9-102.2-104.7 9.7 -3.3 11.4 2.2 79 79 A G S < S+ 0 0 49 -3,-2.0 2,-0.2 1,-0.3 -2,-0.1 0.625 75.0 140.0 81.4 14.2 -2.9 11.6 6.0 80 80 A R - 0 0 127 2,-0.0 -4,-2.6 1,-0.0 2,-0.3 -0.620 35.4-152.6 -85.8 151.5 -6.6 12.4 6.7 81 81 A R E -J 75 0C 188 -2,-0.2 2,-0.4 -6,-0.2 -6,-0.2 -0.920 15.0-164.5-129.2 154.2 -8.2 10.8 9.7 82 82 A F E -J 74 0C 10 -8,-2.3 -8,-2.2 -2,-0.3 3,-0.2 -1.000 44.3 -61.1-133.2 129.6 -11.6 9.7 10.9 83 83 A G E - 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