==== 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 2GUE . 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) . 10468.0 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 . 129 53.3 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 3 1 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 0 106 0, 0.0 241,-2.6 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0 116.8 22.9 25.3 18.8 2 2 A L E +A 241 0A 37 239,-0.2 239,-0.2 122,-0.1 2,-0.2 -0.538 360.0 121.8 -75.2 127.9 23.6 28.1 16.4 3 3 A T E -A 240 0A 47 237,-2.6 237,-2.6 -2,-0.3 2,-0.3 -0.817 41.5-132.0-160.5-171.8 25.0 27.1 13.0 4 4 A H E -A 239 0A 68 235,-0.3 2,-0.3 -2,-0.2 235,-0.2 -0.983 5.4-155.1-154.2 166.8 24.4 27.2 9.2 5 5 A R E -A 238 0A 111 233,-2.0 233,-2.7 -2,-0.3 2,-0.4 -0.972 11.5-140.7-148.4 132.1 24.3 25.0 6.1 6 6 A K E -A 237 0A 150 -2,-0.3 2,-0.3 231,-0.2 231,-0.2 -0.812 18.1-174.1 -89.8 133.4 24.8 25.7 2.4 7 7 A F E +A 236 0A 9 229,-2.3 229,-1.9 -2,-0.4 2,-0.1 -0.882 50.2 19.0-121.8 150.0 22.6 23.9 -0.2 8 8 A G E S-A 235 0A 28 -2,-0.3 227,-0.3 227,-0.2 182,-0.2 -0.435 90.3 -47.4 89.9-160.3 23.1 24.1 -4.1 9 9 A G - 0 0 23 225,-1.6 180,-0.1 180,-1.2 -2,-0.1 -0.059 47.4 -92.4-105.9-159.0 26.2 25.2 -6.1 10 10 A S S S+ 0 0 130 -2,-0.0 180,-0.1 224,-0.0 225,-0.1 0.338 82.2 83.2-106.8 3.7 28.9 27.9 -6.5 11 11 A G + 0 0 32 178,-0.3 224,-0.1 217,-0.1 223,-0.1 -0.011 56.0 57.7 -92.6-162.8 27.6 30.5 -9.0 12 12 A G S S- 0 0 43 216,-0.1 218,-0.2 222,-0.1 221,-0.1 0.099 85.0 -65.5 71.2 179.0 25.4 33.6 -8.8 13 13 A S E -B 229 0A 73 216,-2.5 216,-2.2 1,-0.0 221,-0.1 -0.887 54.5-106.0-108.5 138.9 25.7 36.8 -6.7 14 14 A P E -B 228 0A 94 0, 0.0 41,-0.5 0, 0.0 2,-0.3 -0.264 38.4-177.5 -63.6 141.4 25.4 36.7 -3.0 15 15 A F E -B 227 0A 27 212,-2.7 212,-1.8 39,-0.1 2,-0.3 -0.949 14.4-146.7-132.4 157.8 22.2 38.0 -1.3 16 16 A S - 0 0 36 -2,-0.3 210,-0.2 210,-0.2 86,-0.0 -0.948 20.1-134.7-118.6 147.2 21.1 38.4 2.4 17 17 A G S S+ 0 0 1 -2,-0.3 2,-0.8 84,-0.2 142,-0.1 0.709 96.9 78.2 -66.0 -22.1 17.6 38.1 3.7 18 18 A L + 0 0 11 83,-0.3 -2,-0.1 1,-0.2 3,-0.1 -0.819 53.4 144.2 -92.0 109.6 18.4 41.3 5.7 19 19 A S + 0 0 15 -2,-0.8 33,-2.6 1,-0.3 2,-0.3 0.663 53.9 31.8-125.7 -26.2 18.0 44.1 3.1 20 20 A S E -D 51 0B 15 31,-0.2 15,-3.0 2,-0.0 2,-0.4 -0.998 50.2-173.1-146.8 147.3 16.6 47.2 4.8 21 21 A I E +DE 50 34B 2 29,-2.5 29,-3.8 -2,-0.3 2,-0.3 -0.991 12.6 155.9-139.6 126.2 16.5 49.1 8.1 22 22 A A E - E 0 33B 2 11,-1.9 11,-3.0 -2,-0.4 2,-0.3 -0.915 19.4-158.4-129.2 167.5 14.6 52.1 9.4 23 23 A V E - E 0 32B 0 -2,-0.3 24,-3.1 25,-0.3 2,-0.4 -0.947 15.5-138.0-136.3 158.3 13.7 53.0 13.1 24 24 A R E +FE 46 31B 60 7,-2.4 6,-2.6 -2,-0.3 7,-1.6 -0.986 46.4 152.3-111.3 128.1 11.1 55.2 14.9 25 25 A S E +FE 45 29B 11 20,-2.0 20,-2.4 -2,-0.4 4,-0.2 -0.997 32.9 157.5-154.2 155.4 12.8 57.1 17.7 26 26 A G S S- 0 0 38 2,-1.9 60,-0.2 -2,-0.3 3,-0.1 -0.008 93.6 -18.6-130.1-101.3 13.2 60.1 20.0 27 27 A S S S+ 0 0 101 59,-0.2 60,-0.5 1,-0.1 62,-0.4 0.573 142.6 13.3 -91.9 -20.6 15.1 59.6 23.3 28 28 A Y S S- 0 0 73 58,-0.2 -2,-1.9 59,-0.1 2,-0.5 -0.927 99.4 -80.5-137.8 172.9 14.6 55.9 22.9 29 29 A L E +E 25 0B 0 40,-2.5 82,-2.6 -2,-0.3 -4,-0.3 -0.650 32.9 178.7 -74.5 124.4 13.6 53.5 20.1 30 30 A D E S- 0 0 11 -6,-2.6 11,-2.0 -2,-0.5 2,-0.3 0.785 70.1 -7.1 -82.4 -32.9 9.8 53.1 19.4 31 31 A A E -EG 24 40B 0 -7,-1.6 -7,-2.4 9,-0.3 2,-0.4 -0.995 50.7-145.5-162.4 152.2 10.2 50.7 16.5 32 32 A I E -EG 23 39B 1 7,-2.0 7,-2.4 -2,-0.3 2,-0.5 -0.963 17.6-151.9-124.1 140.9 12.6 49.1 14.1 33 33 A I E -EG 22 38B 17 -11,-3.0 -11,-1.9 -2,-0.4 2,-0.6 -0.977 11.9-167.8-117.3 113.0 11.5 48.4 10.6 34 34 A I E > S-EG 21 37B 0 3,-2.4 3,-2.0 -2,-0.5 -13,-0.2 -0.915 71.7 -23.7-115.4 122.0 13.2 45.4 9.0 35 35 A D T 3 S- 0 0 11 -15,-3.0 -1,-0.2 -2,-0.6 -14,-0.1 0.890 130.4 -47.4 38.2 48.2 12.8 45.0 5.3 36 36 A G T 3 S+ 0 0 59 1,-0.2 2,-0.5 -3,-0.2 -1,-0.3 0.155 110.6 122.5 91.5 -20.8 9.6 47.0 5.4 37 37 A V E < -G 34 0B 52 -3,-2.0 -3,-2.4 102,-0.1 2,-0.4 -0.673 57.1-136.1 -87.5 125.4 8.0 45.2 8.4 38 38 A H E -G 33 0B 87 -2,-0.5 2,-0.5 -5,-0.2 -5,-0.2 -0.623 21.0-176.5 -86.3 124.1 7.2 47.4 11.4 39 39 A H E +G 32 0B 23 -7,-2.4 -7,-2.0 -2,-0.4 2,-0.3 -0.906 53.9 6.3-128.7 106.7 8.1 46.1 14.9 40 40 A G E S-G 31 0B 25 -2,-0.5 -9,-0.3 -9,-0.2 70,-0.2 -0.837 92.5 -20.6 123.8-162.3 7.0 48.3 17.8 41 41 A G - 0 0 8 -11,-2.0 68,-0.1 68,-0.8 69,-0.1 0.108 45.9-114.5 -82.8-178.9 4.9 51.5 18.4 42 42 A S S S+ 0 0 107 -11,-0.0 -11,-0.1 68,-0.0 68,-0.1 0.421 81.0 108.4 -90.9 -6.1 3.6 54.6 16.5 43 43 A G + 0 0 26 66,-0.4 -13,-0.1 -13,-0.1 -12,-0.1 -0.006 58.1 18.3 -74.2 172.7 5.7 56.9 18.6 44 44 A G S S- 0 0 33 -20,-0.1 2,-0.4 -14,-0.1 -18,-0.2 -0.050 94.7 -47.8 67.9-158.8 8.8 58.9 17.9 45 45 A N E -F 25 0B 119 -20,-2.4 -20,-2.0 0, 0.0 2,-0.5 -0.928 49.7-119.7-117.6 138.4 10.1 60.0 14.5 46 46 A L E -F 24 0B 106 -2,-0.4 -22,-0.2 -22,-0.2 3,-0.1 -0.597 25.7-146.2 -83.2 119.2 10.7 57.8 11.4 47 47 A S - 0 0 9 -24,-3.1 -1,-0.0 -2,-0.5 3,-0.0 -0.371 30.4 -90.6 -72.7 165.0 14.2 57.6 10.1 48 48 A P - 0 0 86 0, 0.0 2,-0.5 0, 0.0 -25,-0.3 -0.303 51.8-102.6 -64.2 155.1 15.1 57.3 6.4 49 49 A T - 0 0 84 -27,-0.1 2,-0.6 -3,-0.1 -27,-0.3 -0.762 25.2-145.3 -83.1 130.9 15.3 53.7 5.3 50 50 A F E -D 21 0B 26 -29,-3.8 -29,-2.5 -2,-0.5 2,-0.5 -0.813 16.5-168.5 -90.5 125.4 18.8 52.2 4.9 51 51 A T E -D 20 0B 98 -2,-0.6 -31,-0.2 -31,-0.2 2,-0.2 -0.965 19.5-128.9-120.1 123.3 18.8 49.7 1.9 52 52 A F - 0 0 25 -33,-2.6 3,-0.1 -2,-0.5 2,-0.1 -0.503 20.3-136.9 -78.8 135.3 21.9 47.5 1.6 53 53 A G > - 0 0 36 -2,-0.2 3,-2.0 1,-0.2 -1,-0.1 -0.307 46.0 -62.6 -76.5 168.8 23.5 47.4 -1.8 54 54 A S T 3 S+ 0 0 119 1,-0.3 -1,-0.2 -2,-0.1 -39,-0.1 -0.294 126.7 7.2 -47.4 131.4 24.8 44.2 -3.5 55 55 A G T 3 S+ 0 0 45 -41,-0.5 2,-0.4 1,-0.2 -1,-0.3 0.512 100.3 125.3 63.6 10.4 27.5 42.8 -1.3 56 56 A E < + 0 0 16 -3,-2.0 2,-0.3 21,-0.1 -1,-0.2 -0.793 27.4 158.9-102.8 142.6 27.0 45.3 1.6 57 57 A Y - 0 0 75 -2,-0.4 20,-1.6 -3,-0.1 2,-0.6 -0.920 49.9 -79.7-150.2 169.4 26.4 44.2 5.2 58 58 A I E +H 76 0C 1 42,-0.4 42,-1.5 -2,-0.3 18,-0.3 -0.710 43.2 171.5 -79.7 122.5 26.7 45.8 8.7 59 59 A S E + 0 0 16 16,-1.7 39,-2.6 -2,-0.6 38,-0.7 0.670 69.4 20.5 -98.6 -20.6 30.4 45.6 9.8 60 60 A N E +HI 75 96C 54 15,-1.8 15,-2.5 36,-0.2 2,-0.3 -0.982 66.0 179.6-147.8 147.5 30.2 47.7 13.0 61 61 A M E -HI 74 95C 4 34,-2.3 34,-3.1 -2,-0.3 2,-0.5 -0.958 13.0-159.2-159.8 126.6 27.2 48.6 15.1 62 62 A T E -HI 73 94C 46 11,-2.2 11,-2.4 -2,-0.3 2,-0.4 -0.948 13.7-175.0-112.6 127.9 26.7 50.6 18.3 63 63 A I E -HI 72 93C 2 30,-2.5 30,-2.2 -2,-0.5 2,-0.4 -0.994 10.9-160.1-119.0 128.5 23.7 50.0 20.4 64 64 A R E +HI 71 92C 70 7,-2.9 6,-3.1 -2,-0.4 7,-1.6 -0.916 29.2 158.2 -99.4 142.6 22.7 52.0 23.5 65 65 A S E +HI 69 91C 12 26,-2.3 26,-2.8 -2,-0.4 4,-0.2 -0.999 25.8 151.5-159.9 157.3 20.3 50.2 25.8 66 66 A G S S- 0 0 34 2,-2.7 64,-0.1 -2,-0.3 3,-0.0 -0.061 92.8 -21.7-144.5-104.0 18.8 49.8 29.2 67 67 A D S S+ 0 0 126 64,-0.1 64,-1.2 63,-0.1 66,-0.4 0.683 142.6 30.0 -83.1 -25.0 15.2 48.6 29.7 68 68 A Y S S- 0 0 83 62,-0.2 -2,-2.7 63,-0.1 2,-0.5 -0.827 98.9 -94.7-120.9 162.8 14.7 49.7 26.1 69 69 A I E -H 65 0C 0 42,-2.6 -40,-2.5 -2,-0.3 -4,-0.3 -0.739 45.0-179.0 -70.9 129.0 16.9 50.0 23.0 70 70 A D E + 0 0 20 -6,-3.1 17,-2.7 -2,-0.5 2,-0.3 0.756 55.9 3.6-107.3 -31.2 17.9 53.7 23.3 71 71 A N E -HJ 64 86C 20 -7,-1.6 -7,-2.9 15,-0.3 -1,-0.4 -0.971 54.8-167.9-156.6 140.9 20.0 54.3 20.3 72 72 A I E +HJ 63 85C 2 13,-1.8 13,-2.4 -2,-0.3 2,-0.3 -0.996 13.9 160.2-129.1 135.3 21.3 52.5 17.2 73 73 A S E +H 62 0C 23 -11,-2.4 -11,-2.2 -2,-0.4 2,-0.3 -0.958 11.7 179.3-136.4 153.8 23.9 53.4 14.8 74 74 A F E -HJ 61 82C 4 8,-2.2 8,-3.0 -2,-0.3 2,-0.4 -0.990 18.4-148.3-146.0 158.9 25.8 51.2 12.3 75 75 A E E -HJ 60 81C 57 -15,-2.5 -15,-1.8 -2,-0.3 -16,-1.7 -0.949 19.1-141.2-116.5 147.4 28.5 51.2 9.6 76 76 A T E > -H 58 0C 1 4,-2.0 3,-1.9 -2,-0.4 -18,-0.2 -0.561 31.5-102.7 -98.8 164.5 28.6 48.9 6.5 77 77 A N T 3 S+ 0 0 59 -20,-1.6 -19,-0.1 1,-0.3 -21,-0.1 0.721 121.2 59.6 -57.2 -17.1 31.6 47.3 4.9 78 78 A M T 3 S- 0 0 91 -21,-0.3 -1,-0.3 2,-0.1 -20,-0.0 0.231 121.7-100.7-102.2 16.8 31.3 50.0 2.2 79 79 A G S < S+ 0 0 44 -3,-1.9 2,-0.3 1,-0.3 -2,-0.1 0.636 74.5 140.4 79.8 16.0 31.7 53.0 4.5 80 80 A R - 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