==== 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 07-AUG-06 2HYQ . 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) . 10343.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 174 71.9 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 76 0, 0.0 241,-0.6 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0 56.6 -48.5 -6.3 25.4 2 2 A L E +A 241 0A 28 239,-0.1 2,-0.2 122,-0.1 239,-0.2 -0.295 360.0 138.5 -65.4 116.9 -47.3 -7.3 21.8 3 3 A T E -A 240 0A 50 237,-2.6 237,-2.3 -2,-0.3 2,-0.3 -0.822 32.2-153.4-137.8 170.7 -50.4 -8.5 19.9 4 4 A H E -A 239 0A 76 -2,-0.2 2,-0.3 235,-0.2 235,-0.2 -0.991 4.6-159.9-146.5 163.6 -51.7 -8.0 16.4 5 5 A R E -A 238 0A 91 233,-2.2 233,-2.9 -2,-0.3 2,-0.4 -0.991 12.4-141.5-144.2 144.1 -54.9 -8.0 14.6 6 6 A K E -A 237 0A 110 -2,-0.3 2,-0.3 231,-0.2 231,-0.2 -0.799 16.5-169.7-102.6 134.8 -55.6 -8.3 10.8 7 7 A F E +A 236 0A 7 229,-2.9 229,-1.7 -2,-0.4 2,-0.2 -0.976 47.2 18.4-124.2 147.5 -58.4 -6.3 9.1 8 8 A G E S-A 235 0A 23 -2,-0.3 227,-0.2 227,-0.2 182,-0.2 -0.542 86.9 -45.0 93.9-164.2 -59.7 -6.8 5.6 9 9 A G - 0 0 13 225,-1.8 180,-0.1 180,-1.3 -2,-0.1 -0.070 51.0 -94.1-106.1-162.2 -59.7 -9.7 3.0 10 10 A S S S+ 0 0 121 -2,-0.0 225,-0.1 225,-0.0 180,-0.1 0.640 81.6 94.8 -95.2 -14.6 -57.3 -12.2 1.5 11 11 A G + 0 0 31 178,-0.3 223,-0.1 223,-0.1 224,-0.0 0.069 55.3 45.6 -77.4-175.4 -56.0 -10.6 -1.6 12 12 A G S S- 0 0 43 216,-0.1 218,-0.3 222,-0.1 221,-0.1 -0.022 84.7 -73.5 75.8 179.3 -53.0 -8.6 -2.6 13 13 A S E -B 229 0A 77 216,-2.2 216,-1.7 1,-0.1 221,-0.1 -0.903 51.9 -99.8-110.9 145.1 -49.4 -9.2 -1.7 14 14 A P E -B 228 0A 102 0, 0.0 2,-0.3 0, 0.0 214,-0.3 -0.144 36.7-176.0 -63.2 153.6 -47.8 -8.6 1.8 15 15 A F E -B 227 0A 21 212,-3.0 212,-1.9 39,-0.1 2,-0.4 -0.975 14.1-140.9-139.4 157.2 -45.9 -5.6 2.7 16 16 A S - 0 0 44 -2,-0.3 210,-0.2 210,-0.2 36,-0.0 -0.930 14.6-137.7-115.4 146.7 -44.0 -4.6 5.8 17 17 A G S S+ 0 0 1 -2,-0.4 2,-0.9 84,-0.1 142,-0.1 0.781 93.5 74.7 -62.4 -28.8 -43.8 -1.2 7.5 18 18 A L + 0 0 9 83,-0.3 -1,-0.1 1,-0.2 3,-0.1 -0.775 56.9 155.6 -91.4 100.4 -40.0 -1.6 8.1 19 19 A S + 0 0 18 -2,-0.9 33,-2.3 1,-0.3 2,-0.3 0.690 53.5 11.4-107.0 -21.0 -38.5 -1.1 4.6 20 20 A S E -D 51 0B 15 31,-0.3 15,-2.6 2,-0.0 2,-0.3 -0.998 50.9-166.1-158.8 159.5 -34.9 0.0 5.0 21 21 A I E +DE 50 34B 2 29,-2.4 29,-3.7 -2,-0.3 2,-0.3 -0.996 12.0 160.4-149.0 136.7 -32.0 0.4 7.5 22 22 A A E - E 0 33B 2 11,-2.0 11,-3.5 -2,-0.3 2,-0.3 -0.907 18.0-156.8-141.0 163.7 -28.6 2.2 7.6 23 23 A V E - E 0 32B 0 -2,-0.3 24,-2.7 25,-0.3 2,-0.4 -0.931 16.6-136.7-132.7 157.0 -26.4 3.2 10.7 24 24 A R E +FE 46 31B 60 7,-1.9 6,-2.1 -2,-0.3 7,-2.0 -0.970 41.6 170.9-106.9 141.2 -23.7 5.6 11.4 25 25 A S E +FE 45 29B 15 20,-1.5 20,-2.4 -2,-0.4 4,-0.2 -0.993 27.1 145.2-154.1 146.3 -21.0 3.8 13.4 26 26 A G S S- 0 0 38 2,-2.6 60,-0.2 -2,-0.3 3,-0.0 -0.125 94.0 -20.6-142.1-112.4 -17.4 4.2 14.8 27 27 A S S S+ 0 0 92 -2,-0.1 60,-0.8 59,-0.1 62,-0.4 0.638 142.8 11.1 -73.7 -22.0 -16.6 2.5 18.1 28 28 A Y S S- 0 0 83 58,-0.2 -2,-2.6 60,-0.1 2,-0.6 -0.880 101.5 -75.1-135.1 178.7 -20.4 2.5 18.7 29 29 A L E -E 25 0B 0 40,-2.4 82,-2.6 -2,-0.3 -4,-0.3 -0.707 39.3-178.7 -74.6 118.4 -23.5 3.2 16.9 30 30 A D E - 0 0 12 -6,-2.1 11,-2.1 -2,-0.6 2,-0.3 0.801 67.5 -6.7 -82.4 -36.6 -23.8 7.0 16.4 31 31 A A E -EG 24 40B 0 -7,-2.0 -7,-1.9 9,-0.3 2,-0.4 -0.991 51.9-144.1-154.3 158.9 -27.2 6.7 14.6 32 32 A I E -EG 23 39B 0 7,-2.3 7,-2.6 -2,-0.3 2,-0.6 -0.987 14.8-155.5-124.4 142.0 -29.7 4.4 13.1 33 33 A I E -EG 22 38B 21 -11,-3.5 -11,-2.0 -2,-0.4 2,-0.5 -0.977 13.4-171.6-120.7 116.7 -31.6 5.4 10.0 34 34 A I E > S-EG 21 37B 1 3,-2.2 3,-2.3 -2,-0.6 -13,-0.2 -0.943 71.4 -18.1-116.9 123.3 -35.0 3.7 9.7 35 35 A D T 3 S- 0 0 14 -15,-2.6 -1,-0.2 -2,-0.5 -14,-0.1 0.863 131.0 -53.1 44.9 35.7 -37.0 4.0 6.5 36 36 A G T 3 S+ 0 0 59 1,-0.2 2,-0.5 -16,-0.2 -1,-0.3 0.442 110.4 123.5 87.5 -3.8 -34.8 7.0 5.8 37 37 A V E < -G 34 0B 54 -3,-2.3 -3,-2.2 102,-0.1 2,-0.3 -0.860 56.8-133.3 -94.0 126.3 -35.4 8.8 9.1 38 38 A H E +G 33 0B 88 -2,-0.5 2,-0.4 -5,-0.2 -5,-0.2 -0.553 23.8 179.0 -79.6 124.8 -32.2 9.6 11.1 39 39 A H E +G 32 0B 33 -7,-2.6 -7,-2.3 -2,-0.3 2,-0.3 -0.913 51.2 21.5-128.8 115.1 -31.9 8.9 14.9 40 40 A G E S-G 31 0B 22 -2,-0.4 -9,-0.3 -9,-0.2 70,-0.2 -0.881 90.2 -44.8 131.0-164.7 -28.7 9.7 16.7 41 41 A G - 0 0 15 -11,-2.1 68,-0.1 68,-1.0 -2,-0.1 0.012 47.1-107.0 -92.6-166.4 -25.7 12.0 16.3 42 42 A S S S+ 0 0 105 -11,-0.0 4,-0.1 4,-0.0 -11,-0.1 0.169 78.1 112.0-105.2 5.3 -23.4 12.9 13.3 43 43 A G + 0 0 33 66,-0.4 -13,-0.2 -13,-0.1 -12,-0.1 -0.260 60.2 24.0 -80.3 178.8 -20.4 11.0 14.4 44 44 A G S S- 0 0 27 -20,-0.1 2,-0.4 -14,-0.1 -18,-0.2 -0.098 97.3 -56.8 61.7-164.5 -18.9 7.9 12.8 45 45 A N E -F 25 0B 125 -20,-2.4 -20,-1.5 0, 0.0 2,-0.4 -0.919 47.5-115.1-118.5 138.8 -19.4 6.9 9.2 46 46 A L E -F 24 0B 102 -2,-0.4 -22,-0.2 -22,-0.2 3,-0.1 -0.605 30.8-145.0 -75.0 126.6 -22.6 6.3 7.3 47 47 A S - 0 0 12 -24,-2.7 -1,-0.1 -2,-0.4 3,-0.0 -0.294 30.8 -83.6 -80.8 161.3 -23.2 2.7 6.1 48 48 A P - 0 0 91 0, 0.0 2,-0.5 0, 0.0 -25,-0.3 -0.329 51.7-107.3 -52.9 151.1 -24.9 1.6 2.9 49 49 A T - 0 0 84 -27,-0.1 2,-0.6 -3,-0.1 -27,-0.3 -0.755 25.9-146.9 -86.2 126.5 -28.7 1.5 3.2 50 50 A F E -D 21 0B 27 -29,-3.7 -29,-2.4 -2,-0.5 2,-0.5 -0.881 14.6-165.7 -94.1 120.4 -30.1 -2.0 3.4 51 51 A T E -D 20 0B 97 -2,-0.6 -31,-0.3 -31,-0.2 2,-0.1 -0.915 19.1-124.9-114.2 125.4 -33.5 -2.1 1.7 52 52 A F - 0 0 23 -33,-2.3 3,-0.1 -2,-0.5 -36,-0.1 -0.462 21.3-136.9 -74.3 138.1 -35.8 -5.2 2.3 53 53 A G > - 0 0 36 1,-0.2 3,-1.6 -2,-0.1 2,-0.2 -0.214 45.9 -66.3 -77.0 178.1 -37.0 -7.0 -0.8 54 54 A S T 3 S+ 0 0 123 1,-0.2 -1,-0.2 -39,-0.1 3,-0.1 -0.508 126.2 6.4 -65.0 136.1 -40.5 -8.2 -1.1 55 55 A G T 3 S+ 0 0 58 -41,-0.2 2,-0.4 1,-0.2 -1,-0.2 0.526 101.3 129.0 63.4 13.7 -41.1 -11.0 1.5 56 56 A E < + 0 0 16 -3,-1.6 2,-0.3 20,-0.1 -1,-0.2 -0.815 27.6 161.4-100.2 133.8 -37.6 -10.4 3.0 57 57 A Y - 0 0 69 -2,-0.4 20,-2.2 -3,-0.1 2,-0.5 -0.949 47.5 -87.9-144.8 164.4 -37.2 -9.9 6.8 58 58 A I E +H 76 0C 2 42,-0.3 42,-2.4 -2,-0.3 18,-0.3 -0.690 44.1 168.1 -76.1 120.9 -34.5 -10.0 9.5 59 59 A S E + 0 0 23 16,-1.5 39,-2.1 -2,-0.5 38,-0.8 0.538 66.6 30.7-106.4 -17.8 -34.3 -13.7 10.7 60 60 A N E +HI 75 96C 62 15,-1.4 15,-2.5 36,-0.2 2,-0.3 -0.994 69.8 177.1-145.6 136.8 -31.1 -13.6 12.7 61 61 A M E -HI 74 95C 2 34,-2.5 34,-2.9 -2,-0.3 2,-0.4 -0.985 14.8-161.0-151.7 136.3 -29.6 -10.5 14.6 62 62 A T E -HI 73 94C 39 11,-3.3 11,-2.0 -2,-0.3 2,-0.4 -0.971 10.8-179.6-124.9 125.5 -26.6 -9.7 16.8 63 63 A I E -HI 72 93C 4 30,-2.6 30,-2.9 -2,-0.4 2,-0.4 -0.973 14.5-159.2-120.8 127.7 -26.3 -6.7 19.1 64 64 A R E +HI 71 92C 71 7,-2.3 6,-2.2 -2,-0.4 7,-1.4 -0.877 29.8 169.9 -93.6 139.3 -23.4 -5.7 21.4 65 65 A S E +HI 69 91C 17 26,-1.4 26,-1.9 -2,-0.4 4,-0.2 -0.990 25.3 143.4-157.8 135.4 -24.6 -3.3 24.1 66 66 A G S S- 0 0 39 2,-2.3 64,-0.1 -2,-0.3 25,-0.0 -0.083 93.5 -24.3-126.2-113.5 -23.6 -1.6 27.4 67 67 A D S S+ 0 0 125 63,-0.2 64,-0.9 -2,-0.1 66,-0.3 0.696 141.7 21.6 -71.2 -22.6 -24.8 1.9 28.1 68 68 A Y S S- 0 0 68 62,-0.2 -2,-2.3 63,-0.1 2,-0.7 -0.777 100.9 -83.6-126.1 177.4 -25.2 2.3 24.3 69 69 A I E -H 65 0C 0 42,-2.6 -40,-2.4 -2,-0.2 -4,-0.3 -0.797 44.4-178.3 -81.4 119.5 -25.5 0.1 21.3 70 70 A D E - 0 0 9 -6,-2.2 17,-2.4 -2,-0.7 2,-0.3 0.824 59.7 -4.6 -90.0 -34.8 -22.0 -0.9 20.5 71 71 A N E -HJ 64 86C 23 -7,-1.4 -7,-2.3 15,-0.3 -1,-0.3 -0.983 56.5-168.3-157.9 150.3 -22.4 -3.0 17.5 72 72 A I E +HJ 63 85C 3 13,-2.0 13,-2.3 -2,-0.3 2,-0.3 -0.992 11.3 161.9-142.6 140.8 -25.2 -4.5 15.3 73 73 A S E +H 62 0C 26 -11,-2.0 -11,-3.3 -2,-0.3 2,-0.3 -0.968 10.7 178.7-142.1 157.7 -25.3 -7.1 12.5 74 74 A F E -HJ 61 82C 8 8,-2.2 8,-2.7 -2,-0.3 2,-0.3 -0.973 16.7-148.0-148.1 168.2 -28.2 -9.0 11.1 75 75 A E E -HJ 60 81C 55 -15,-2.5 -16,-1.5 -2,-0.3 -15,-1.4 -0.906 18.4-137.5-132.2 156.1 -29.1 -11.6 8.4 76 76 A T E > -H 58 0C 0 4,-1.7 3,-2.2 -2,-0.3 -18,-0.2 -0.726 31.9-100.6-112.1 164.8 -32.4 -11.9 6.4 77 77 A N T 3 S+ 0 0 63 -20,-2.2 -19,-0.1 1,-0.3 -21,-0.1 0.605 122.2 58.6 -62.1 -9.1 -34.5 -14.9 5.4 78 78 A M T 3 S- 0 0 94 -21,-0.3 -1,-0.3 2,-0.2 3,-0.1 0.175 120.7-104.4-106.9 20.1 -32.8 -14.6 2.0 79 79 A G S < S+ 0 0 47 -3,-2.2 2,-0.3 1,-0.3 -2,-0.1 0.610 73.6 142.1 73.4 15.6 -29.3 -15.0 3.2 80 80 A R - 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