==== 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 28-APR-06 2GTY . 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) . 10506.0 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 . 24 9.9 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,-2.7 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0 120.9 23.0 24.7 18.6 2 2 A L E +A 241 0A 36 239,-0.2 2,-0.2 122,-0.1 239,-0.2 -0.503 360.0 128.8 -76.5 126.9 23.6 27.5 16.1 3 3 A T E -A 240 0A 49 237,-2.9 237,-2.4 -2,-0.3 2,-0.3 -0.853 39.4-133.6-154.5-173.4 24.9 26.4 12.8 4 4 A H E -A 239 0A 63 235,-0.3 2,-0.3 -2,-0.2 235,-0.2 -0.984 7.3-159.9-151.7 160.5 24.3 26.6 9.0 5 5 A R E -A 238 0A 119 233,-2.1 233,-2.8 -2,-0.3 2,-0.4 -0.991 11.0-142.2-145.0 138.4 24.2 24.4 6.0 6 6 A K E -A 237 0A 153 -2,-0.3 2,-0.4 231,-0.2 231,-0.2 -0.799 16.2-173.2-100.1 139.5 24.5 25.0 2.3 7 7 A F E +A 236 0A 6 229,-2.7 229,-2.3 -2,-0.4 2,-0.2 -0.977 46.4 19.7-129.5 145.1 22.5 23.2 -0.4 8 8 A G E S-A 235 0A 30 -2,-0.4 227,-0.3 227,-0.2 182,-0.2 -0.583 87.6 -43.1 99.4-160.9 22.8 23.4 -4.2 9 9 A G - 0 0 23 225,-2.1 180,-0.1 180,-0.9 -2,-0.1 -0.103 50.0 -97.3-103.4-164.0 25.6 24.4 -6.5 10 10 A S S S+ 0 0 131 -2,-0.0 225,-0.1 225,-0.0 180,-0.1 0.482 81.4 96.4-100.2 -2.2 28.3 27.0 -6.9 11 11 A G + 0 0 29 178,-0.4 224,-0.1 223,-0.1 223,-0.1 -0.059 54.4 44.4 -82.6-177.5 26.7 29.5 -9.4 12 12 A G S S- 0 0 47 216,-0.1 218,-0.3 222,-0.1 221,-0.1 -0.042 85.1 -66.9 81.0-178.7 24.8 32.8 -9.1 13 13 A S E -B 229 0A 76 216,-3.1 216,-2.1 1,-0.0 221,-0.1 -0.895 53.5-105.0-111.0 140.7 25.4 35.9 -7.0 14 14 A P E -B 228 0A 92 0, 0.0 41,-0.4 0, 0.0 2,-0.3 -0.290 37.7-177.2 -65.9 143.3 25.0 35.8 -3.2 15 15 A F E -B 227 0A 27 212,-2.8 212,-1.9 39,-0.1 2,-0.4 -0.954 15.0-141.6-132.3 163.0 22.1 37.3 -1.5 16 16 A S - 0 0 35 -2,-0.3 210,-0.2 210,-0.2 40,-0.0 -0.939 16.4-136.9-120.1 144.0 21.0 37.8 2.1 17 17 A G S S+ 0 0 2 -2,-0.4 2,-0.8 84,-0.1 142,-0.1 0.782 93.5 77.9 -64.9 -26.6 17.6 37.5 3.6 18 18 A L + 0 0 9 83,-0.3 -2,-0.1 1,-0.2 3,-0.1 -0.774 55.1 150.6 -90.2 109.7 18.3 40.7 5.6 19 19 A S + 0 0 18 -2,-0.8 33,-2.2 1,-0.3 2,-0.3 0.632 53.1 17.3-120.1 -23.1 17.7 43.5 3.1 20 20 A S E -D 51 0B 15 31,-0.2 15,-2.6 2,-0.0 2,-0.3 -0.993 51.4-169.1-155.4 151.6 16.5 46.7 4.8 21 21 A I E +DE 50 34B 2 29,-2.2 29,-3.1 -2,-0.3 2,-0.3 -0.997 11.6 161.2-142.1 135.9 16.3 48.3 8.2 22 22 A A E - E 0 33B 2 11,-1.9 11,-3.2 -2,-0.3 2,-0.3 -0.919 18.2-154.2-138.3 167.9 14.5 51.4 9.5 23 23 A V E - E 0 32B 0 25,-0.3 24,-3.2 -2,-0.3 2,-0.5 -0.957 15.0-139.9-136.7 157.6 13.6 52.4 13.1 24 24 A R E +FE 46 31B 55 7,-2.3 6,-2.2 -2,-0.3 7,-1.7 -0.990 44.1 160.0-110.0 130.7 11.1 54.5 15.0 25 25 A S E +FE 45 29B 12 20,-2.2 20,-2.5 -2,-0.5 4,-0.2 -0.986 31.3 157.0-151.6 155.5 12.8 56.3 17.8 26 26 A G S S- 0 0 38 2,-2.6 60,-0.2 -2,-0.3 3,-0.1 -0.096 92.7 -23.3-132.1-111.0 12.8 59.2 20.3 27 27 A S S S+ 0 0 100 59,-0.1 60,-0.6 -2,-0.1 62,-0.4 0.572 143.6 8.3 -81.6 -9.5 15.0 58.8 23.5 28 28 A Y S S- 0 0 76 58,-0.2 -2,-2.6 59,-0.1 2,-0.5 -0.917 101.8 -72.4-153.4 179.8 14.6 55.1 22.9 29 29 A L E +E 25 0B 0 40,-3.1 82,-2.7 -2,-0.3 -4,-0.3 -0.681 29.5 179.7 -90.4 128.4 13.3 52.8 20.2 30 30 A D E S- 0 0 13 -6,-2.2 11,-2.1 -2,-0.5 2,-0.3 0.767 71.5 -12.7 -81.4 -34.0 9.7 52.4 19.5 31 31 A A E -EG 24 40B 0 -7,-1.7 -7,-2.3 9,-0.3 2,-0.4 -0.992 49.1-138.9-162.7 156.9 10.1 50.0 16.7 32 32 A I E -EG 23 39B 1 7,-2.3 7,-2.5 -2,-0.3 2,-0.6 -0.987 17.5-151.8-121.7 139.4 12.4 48.3 14.2 33 33 A I E -EG 22 38B 19 -11,-3.2 -11,-1.9 -2,-0.4 2,-0.5 -0.956 14.2-170.9-112.8 111.6 11.3 47.8 10.7 34 34 A I E > S-EG 21 37B 0 3,-2.3 3,-2.2 -2,-0.6 -13,-0.2 -0.928 72.4 -19.1-113.6 117.1 13.0 44.8 9.1 35 35 A D T 3 S- 0 0 13 -15,-2.6 -1,-0.2 -2,-0.5 -14,-0.1 0.865 130.6 -51.3 53.3 38.7 12.6 44.2 5.4 36 36 A G T 3 S+ 0 0 60 1,-0.2 2,-0.5 -3,-0.2 -1,-0.3 0.319 110.9 123.8 84.8 -5.1 9.5 46.5 5.6 37 37 A V E < -G 34 0B 51 -3,-2.2 -3,-2.3 102,-0.1 2,-0.4 -0.800 57.5-135.3 -96.9 122.3 7.9 44.6 8.5 38 38 A H E -G 33 0B 87 -2,-0.5 2,-0.5 -5,-0.2 -5,-0.2 -0.641 20.9-176.1 -81.8 123.8 7.1 46.8 11.6 39 39 A H E +G 32 0B 24 -7,-2.5 -7,-2.3 -2,-0.4 2,-0.3 -0.928 55.9 13.8-123.7 104.8 8.1 45.4 15.0 40 40 A G E S-G 31 0B 23 -2,-0.5 -9,-0.3 -9,-0.2 70,-0.2 -0.852 93.1 -36.3 129.4-164.7 7.0 47.6 17.9 41 41 A G - 0 0 11 -11,-2.1 68,-0.1 68,-0.8 69,-0.1 -0.024 46.3-110.4 -90.9-170.5 4.7 50.6 18.5 42 42 A S S S+ 0 0 107 -11,-0.0 -11,-0.1 68,-0.0 68,-0.1 0.344 79.0 105.7-105.7 3.1 3.7 53.8 16.6 43 43 A G + 0 0 30 66,-0.4 -13,-0.2 -13,-0.1 -12,-0.0 -0.119 59.7 33.0 -75.1 177.2 5.5 56.3 18.8 44 44 A G S S- 0 0 34 -20,-0.1 2,-0.4 -14,-0.1 -18,-0.2 -0.097 95.8 -58.2 73.2-173.0 8.7 58.2 17.9 45 45 A N E -F 25 0B 123 -20,-2.5 -20,-2.2 0, 0.0 2,-0.5 -0.892 48.7-117.8-108.2 142.2 9.9 59.4 14.5 46 46 A L E -F 24 0B 102 -2,-0.4 -22,-0.2 -22,-0.2 3,-0.1 -0.658 25.7-145.2 -83.4 124.1 10.5 57.1 11.6 47 47 A S - 0 0 9 -24,-3.2 -1,-0.0 -2,-0.5 38,-0.0 -0.351 31.2 -90.9 -73.5 163.4 14.0 57.0 10.3 48 48 A P - 0 0 89 0, 0.0 2,-0.5 0, 0.0 -25,-0.3 -0.309 50.1-102.4 -61.7 162.7 14.8 56.7 6.6 49 49 A T - 0 0 83 -27,-0.1 2,-0.6 -3,-0.1 -27,-0.2 -0.788 24.4-146.6 -93.0 133.0 15.2 53.1 5.4 50 50 A F E -D 21 0B 25 -29,-3.1 -29,-2.2 -2,-0.5 2,-0.5 -0.869 15.5-165.5 -96.7 118.0 18.6 51.7 4.8 51 51 A T E -D 20 0B 99 -2,-0.6 -31,-0.2 -31,-0.2 2,-0.2 -0.951 17.5-129.2-107.9 125.3 18.6 49.2 2.0 52 52 A F - 0 0 23 -33,-2.2 3,-0.1 -2,-0.5 2,-0.1 -0.487 20.4-141.2 -72.4 135.7 21.6 46.9 1.6 53 53 A G > - 0 0 38 -2,-0.2 3,-2.3 1,-0.2 -1,-0.1 -0.325 43.3 -63.0 -84.3 174.8 23.2 46.7 -1.9 54 54 A S T 3 S+ 0 0 120 1,-0.3 -1,-0.2 -2,-0.1 3,-0.1 -0.343 126.9 10.3 -54.1 131.3 24.6 43.6 -3.5 55 55 A G T 3 S+ 0 0 47 -41,-0.4 2,-0.4 1,-0.2 -1,-0.3 0.556 101.7 128.0 75.9 7.2 27.5 42.3 -1.4 56 56 A E < + 0 0 17 -3,-2.3 2,-0.3 21,-0.1 -1,-0.2 -0.811 25.6 155.8-105.1 139.4 26.8 44.7 1.4 57 57 A Y - 0 0 74 -2,-0.4 20,-2.1 -3,-0.1 2,-0.5 -0.960 49.4 -85.2-149.8 164.8 26.3 43.7 5.1 58 58 A I E +H 76 0C 2 42,-0.3 42,-1.9 -2,-0.3 18,-0.3 -0.641 42.1 169.8 -76.2 122.9 26.6 45.2 8.6 59 59 A S E + 0 0 15 16,-2.3 39,-2.1 -2,-0.5 38,-0.6 0.566 66.5 25.3-109.0 -15.3 30.2 45.0 9.7 60 60 A N E +HI 75 96C 53 15,-1.7 15,-2.6 36,-0.2 2,-0.3 -0.986 65.3 178.3-151.7 138.7 30.0 47.1 12.8 61 61 A M E -HI 74 95C 4 34,-2.4 34,-3.0 -2,-0.3 2,-0.5 -0.995 14.0-161.9-148.6 140.6 27.2 47.9 15.1 62 62 A T E -HI 73 94C 42 11,-2.6 11,-2.0 -2,-0.3 2,-0.5 -0.990 12.4-176.0-124.6 124.5 26.6 49.9 18.3 63 63 A I E -HI 72 93C 1 30,-2.9 30,-2.2 -2,-0.5 2,-0.5 -0.981 11.5-159.8-120.1 128.2 23.6 49.3 20.4 64 64 A R E +HI 71 92C 75 7,-2.3 6,-2.9 -2,-0.5 7,-1.7 -0.918 30.0 160.5-100.3 132.4 22.7 51.2 23.5 65 65 A S E +HI 69 91C 11 26,-2.2 26,-2.9 -2,-0.5 4,-0.2 -0.990 23.6 148.8-150.8 158.7 20.3 49.3 25.7 66 66 A G S S- 0 0 35 2,-2.7 64,-0.1 -2,-0.3 3,-0.0 -0.194 91.7 -19.0-146.6-111.4 18.8 49.0 29.2 67 67 A D S S+ 0 0 128 63,-0.1 64,-0.9 -2,-0.1 2,-0.3 0.691 142.1 23.2 -72.1 -24.6 15.3 47.8 29.8 68 68 A Y S S- 0 0 77 62,-0.2 -2,-2.7 63,-0.0 2,-0.6 -0.833 99.4 -87.3-128.0 169.8 14.8 48.8 26.1 69 69 A I E +H 65 0C 0 42,-2.8 -40,-3.1 -2,-0.3 -4,-0.3 -0.787 46.0 179.3 -75.2 124.2 16.7 49.2 23.0 70 70 A D E + 0 0 21 -6,-2.9 17,-2.5 -2,-0.6 2,-0.3 0.753 57.5 2.4 -99.8 -31.4 17.8 52.9 23.3 71 71 A N E -HJ 64 86C 17 -7,-1.7 -7,-2.3 15,-0.3 2,-0.4 -0.974 54.4-163.1-161.1 140.7 19.9 53.5 20.2 72 72 A I E +HJ 63 85C 1 13,-2.1 13,-2.1 -2,-0.3 2,-0.3 -0.999 15.7 161.8-127.6 136.3 21.0 51.7 17.1 73 73 A S E +H 62 0C 22 -11,-2.0 -11,-2.6 -2,-0.4 2,-0.3 -0.984 9.5 174.5-141.8 149.1 23.9 52.6 14.8 74 74 A F E -HJ 61 82C 6 8,-2.2 8,-2.9 -2,-0.3 2,-0.4 -0.993 19.4-149.9-150.1 161.4 25.7 50.5 12.2 75 75 A E E -HJ 60 81C 52 -15,-2.6 -16,-2.3 -2,-0.3 -15,-1.7 -0.971 18.6-138.3-124.8 148.0 28.3 50.6 9.5 76 76 A T E > -H 58 0C 2 4,-2.2 3,-2.1 -2,-0.4 -18,-0.2 -0.546 30.8-104.8 -97.8 169.1 28.5 48.4 6.5 77 77 A N T 3 S+ 0 0 60 -20,-2.1 -19,-0.1 1,-0.3 -1,-0.1 0.671 122.7 56.3 -65.3 -12.9 31.4 46.8 4.8 78 78 A M T 3 S- 0 0 94 -21,-0.3 -1,-0.3 2,-0.1 -20,-0.1 0.280 122.7-103.0-103.1 9.4 31.1 49.5 2.2 79 79 A G S < S+ 0 0 45 -3,-2.1 2,-0.3 1,-0.3 -2,-0.1 0.612 72.3 142.0 82.9 17.2 31.4 52.4 4.6 80 80 A R - 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