==== 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 ANTIVIRAL PROTEIN,SUGAR BINDING PROTEIN 08-NOV-06 2NU5 . COMPND 2 MOLECULE: GRIFFITHSIN; . SOURCE 2 ORGANISM_SCIENTIFIC: GRIFFITHSIA SP.; . 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) . 10229.0 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 0 126 0, 0.0 241,-0.7 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 138.5 25.1 -14.5 -3.2 2 2 A L E +A 241 0A 9 122,-0.3 2,-0.3 239,-0.2 239,-0.2 -0.619 360.0 163.4 -83.0 130.4 25.1 -10.9 -4.2 3 3 A T E -A 240 0A 51 237,-2.6 237,-2.3 -2,-0.4 2,-0.3 -0.832 20.0-146.8-136.7 175.0 26.2 -10.3 -7.8 4 4 A H E -A 239 0A 80 -2,-0.3 2,-0.4 235,-0.2 235,-0.2 -0.991 8.2-168.5-147.0 150.4 26.0 -7.5 -10.4 5 5 A R E -A 238 0A 87 233,-1.9 233,-2.7 -2,-0.3 2,-0.4 -0.991 13.9-146.7-138.3 138.3 25.6 -7.0 -14.1 6 6 A K E -A 237 0A 116 -2,-0.4 2,-0.3 231,-0.2 231,-0.2 -0.864 14.6-174.1-101.1 143.5 26.1 -3.7 -16.0 7 7 A F E +A 236 0A 6 229,-2.7 229,-2.4 -2,-0.4 2,-0.2 -0.967 44.3 25.8-132.8 144.9 24.0 -2.9 -19.1 8 8 A G E S-A 235 0A 23 -2,-0.3 227,-0.3 227,-0.2 182,-0.2 -0.604 83.0 -45.7 109.7-164.4 24.4 0.1 -21.4 9 9 A G - 0 0 8 225,-2.2 180,-0.1 180,-0.9 181,-0.1 -0.125 48.1 -98.6-105.6-168.1 27.1 2.5 -22.4 10 10 A S S S+ 0 0 123 -2,-0.1 225,-0.1 225,-0.0 180,-0.1 0.456 82.5 97.7 -95.3 -6.7 30.0 4.6 -21.0 11 11 A G + 0 0 27 178,-0.4 223,-0.1 223,-0.1 224,-0.1 -0.096 54.5 41.7 -82.2-177.6 28.3 8.0 -20.8 12 12 A G S S- 0 0 45 222,-0.1 218,-0.3 216,-0.1 221,-0.1 -0.077 85.4 -69.8 76.3 179.2 26.5 10.1 -18.1 13 13 A S E -B 229 0A 78 216,-2.6 216,-2.5 1,-0.1 221,-0.1 -0.844 54.6-100.5-110.9 143.8 27.3 10.6 -14.5 14 14 A P E +B 228 0A 92 0, 0.0 2,-0.3 0, 0.0 214,-0.3 -0.249 39.1 179.5 -69.3 147.0 27.0 7.9 -11.9 15 15 A F E -B 227 0A 25 212,-2.9 212,-2.3 39,-0.1 2,-0.4 -0.973 16.5-140.2-136.4 162.9 24.1 7.5 -9.5 16 16 A S - 0 0 44 -2,-0.3 210,-0.2 210,-0.2 140,-0.1 -0.952 16.9-136.0-121.1 145.6 23.0 5.2 -6.7 17 17 A G S S+ 0 0 2 -2,-0.4 2,-0.8 208,-0.2 142,-0.1 0.661 93.8 78.5 -63.6 -24.9 19.6 3.8 -5.8 18 18 A L + 0 0 8 83,-0.2 -2,-0.1 1,-0.2 3,-0.1 -0.841 54.9 154.0 -92.9 111.2 20.4 4.5 -2.1 19 19 A S + 0 0 21 -2,-0.8 33,-1.9 1,-0.3 2,-0.3 0.763 53.0 9.4-111.7 -38.3 19.8 8.2 -1.8 20 20 A S E -D 51 0B 18 31,-0.2 15,-2.6 2,-0.0 2,-0.3 -0.999 48.5-165.4-149.5 156.0 18.9 9.1 1.9 21 21 A I E +DE 50 34B 2 29,-2.4 29,-3.3 -2,-0.3 2,-0.3 -0.998 14.4 158.8-142.2 136.3 18.7 7.7 5.4 22 22 A A E - E 0 33B 2 11,-1.7 11,-3.3 -2,-0.3 2,-0.3 -0.924 18.6-155.8-137.0 168.5 17.1 8.9 8.6 23 23 A V E - E 0 32B 1 25,-0.3 24,-3.3 -2,-0.3 2,-0.5 -0.958 17.4-137.0-136.2 160.2 16.0 7.1 11.7 24 24 A R E +FE 46 31B 67 7,-2.2 7,-1.8 -2,-0.3 6,-1.6 -0.984 43.2 168.4-106.0 134.7 13.6 7.3 14.6 25 25 A S E +FE 45 29B 14 20,-2.2 20,-2.6 -2,-0.5 4,-0.2 -0.996 28.2 144.3-147.0 153.1 15.4 6.3 17.8 26 26 A G S S- 0 0 36 2,-2.5 60,-0.2 -2,-0.4 3,-0.0 -0.065 94.2 -21.6-141.9-107.7 15.3 6.3 21.6 27 27 A S S S+ 0 0 92 59,-0.1 60,-1.1 -2,-0.1 62,-0.4 0.736 142.4 21.2 -75.0 -26.6 16.9 3.3 23.4 28 28 A Y S S- 0 0 83 58,-0.2 -2,-2.5 60,-0.1 2,-1.0 -0.705 99.6 -87.4-122.5 176.4 16.5 1.4 20.1 29 29 A L E -E 25 0B 1 40,-3.1 82,-2.8 82,-0.3 40,-0.3 -0.844 39.2-174.7 -84.7 109.2 16.1 2.2 16.5 30 30 A D E - 0 0 15 -6,-1.6 11,-2.4 -2,-1.0 2,-0.3 0.833 66.9 -10.2 -69.6 -32.5 12.3 2.5 16.3 31 31 A A E -EG 24 40B 0 -7,-1.8 -7,-2.2 9,-0.3 2,-0.4 -0.992 53.6-140.8-160.7 156.1 12.5 2.9 12.5 32 32 A I E -EG 23 39B 1 7,-2.4 7,-2.3 -2,-0.3 2,-0.6 -0.981 16.7-153.2-120.6 138.9 14.8 3.4 9.6 33 33 A I E -EG 22 38B 21 -11,-3.3 -11,-1.7 -2,-0.4 2,-0.5 -0.938 13.5-171.2-116.1 111.5 13.7 5.7 6.8 34 34 A I E > S-EG 21 37B 1 3,-2.3 3,-2.2 -2,-0.6 -13,-0.2 -0.903 72.7 -18.3-113.4 120.8 15.3 4.8 3.5 35 35 A D T 3 S- 0 0 13 -15,-2.6 -1,-0.2 -2,-0.5 -14,-0.1 0.896 131.3 -52.1 48.1 39.9 14.8 7.2 0.5 36 36 A G T 3 S+ 0 0 59 -3,-0.3 2,-0.6 1,-0.2 -1,-0.3 0.381 109.8 126.5 82.2 1.7 11.8 8.6 2.5 37 37 A V E < -G 34 0B 43 -3,-2.2 -3,-2.3 102,-0.1 2,-0.4 -0.813 55.5-135.5 -99.0 121.6 10.2 5.2 3.1 38 38 A H E -G 33 0B 87 -2,-0.6 2,-0.5 -5,-0.2 -5,-0.2 -0.600 22.2-178.4 -80.1 125.5 9.4 4.5 6.8 39 39 A H E +G 32 0B 28 -7,-2.3 -7,-2.4 -2,-0.4 2,-0.3 -0.943 52.7 15.4-127.0 112.2 10.2 1.0 8.1 40 40 A G E S-G 31 0B 24 -2,-0.5 -9,-0.3 -9,-0.2 70,-0.2 -0.915 90.8 -35.4 129.8-158.1 9.4 0.4 11.8 41 41 A G - 0 0 8 -11,-2.4 68,-0.1 68,-0.7 69,-0.1 -0.021 46.9-106.7 -95.8-166.5 7.2 1.9 14.5 42 42 A S S S+ 0 0 108 -2,-0.0 -11,-0.1 67,-0.0 68,-0.1 0.428 80.7 103.3-106.2 -6.1 6.1 5.3 15.7 43 43 A G + 0 0 31 66,-0.4 -13,-0.1 -13,-0.1 -12,-0.0 -0.017 60.8 30.4 -70.6-179.2 8.3 5.5 18.8 44 44 A G S S- 0 0 27 -20,-0.1 2,-0.3 -14,-0.1 -18,-0.2 -0.055 92.1 -60.7 64.0-173.9 11.5 7.4 19.4 45 45 A N E -F 25 0B 120 -20,-2.6 -20,-2.2 0, 0.0 2,-0.4 -0.892 47.4-110.3-111.3 147.7 12.6 10.8 17.9 46 46 A L E -F 24 0B 106 -2,-0.3 -22,-0.2 -22,-0.2 3,-0.1 -0.568 30.4-148.8 -81.0 126.6 13.2 11.6 14.3 47 47 A S - 0 0 11 -24,-3.3 -1,-0.1 -2,-0.4 2,-0.0 -0.330 30.0 -88.5 -80.8 167.2 16.8 12.2 13.3 48 48 A P - 0 0 89 0, 0.0 2,-0.5 0, 0.0 -25,-0.3 -0.383 49.8-103.7 -62.4 157.7 17.9 14.5 10.5 49 49 A T - 0 0 91 -27,-0.1 2,-0.5 -3,-0.1 -27,-0.2 -0.769 25.5-148.9 -86.0 130.5 18.1 13.0 7.0 50 50 A F E -D 21 0B 15 -29,-3.3 -29,-2.4 -2,-0.5 2,-0.5 -0.870 14.0-165.0 -96.7 127.8 21.5 12.1 5.6 51 51 A T E -D 20 0B 83 -2,-0.5 -31,-0.2 -31,-0.2 2,-0.1 -0.974 16.7-128.8-120.3 124.6 21.6 12.5 1.8 52 52 A F - 0 0 27 -33,-1.9 2,-0.1 -2,-0.5 -36,-0.1 -0.451 19.4-144.2 -70.1 140.0 24.5 10.9 -0.2 53 53 A G > - 0 0 41 1,-0.2 3,-1.6 -2,-0.1 2,-0.2 -0.289 45.1 -59.0 -84.8-177.4 26.4 13.1 -2.7 54 54 A S T 3 S+ 0 0 111 1,-0.3 -1,-0.2 -2,-0.1 3,-0.1 -0.441 125.6 4.6 -60.5 130.5 27.8 12.0 -6.0 55 55 A G T 3 S+ 0 0 53 1,-0.2 2,-0.4 -2,-0.2 -1,-0.3 0.576 102.3 132.8 77.4 4.3 30.3 9.2 -5.6 56 56 A E < + 0 0 14 -3,-1.6 2,-0.3 21,-0.1 -1,-0.2 -0.787 24.0 156.6 -99.5 138.0 29.6 9.0 -1.9 57 57 A Y - 0 0 63 -2,-0.4 20,-2.0 -3,-0.1 2,-0.4 -0.974 49.0 -86.5-150.9 161.2 28.9 5.8 0.0 58 58 A I E +H 76 0C 2 42,-0.3 42,-2.3 -2,-0.3 18,-0.3 -0.611 41.9 169.8 -70.9 123.6 29.1 4.3 3.5 59 59 A S E + 0 0 26 16,-2.4 39,-2.1 -2,-0.4 38,-0.6 0.529 67.6 27.7-109.4 -16.7 32.6 3.0 4.0 60 60 A N E +HI 75 96C 51 15,-1.8 15,-2.5 36,-0.2 2,-0.3 -0.991 67.4 177.9-145.9 139.7 32.4 2.2 7.8 61 61 A M E -HI 74 95C 2 34,-2.5 34,-2.9 -2,-0.3 2,-0.5 -0.993 14.5-160.2-148.8 137.0 29.4 1.3 9.9 62 62 A T E -HI 73 94C 33 11,-2.4 11,-2.0 -2,-0.3 2,-0.4 -0.993 12.2-177.3-121.0 123.4 28.7 0.4 13.5 63 63 A I E -HI 72 93C 2 30,-3.0 30,-1.9 -2,-0.5 2,-0.4 -0.990 11.7-159.6-120.3 124.4 25.6 -1.4 14.5 64 64 A R E +HI 71 92C 66 7,-2.4 6,-1.9 -2,-0.4 7,-1.6 -0.867 30.5 161.5 -96.8 134.4 24.7 -2.3 18.1 65 65 A S E +HI 69 91C 11 26,-2.2 26,-2.1 -2,-0.4 4,-0.2 -0.996 25.4 149.0-153.4 158.9 22.2 -5.1 18.2 66 66 A G S S- 0 0 36 2,-2.6 64,-0.1 -2,-0.3 3,-0.0 -0.213 92.6 -18.1-146.3-114.1 20.6 -7.8 20.2 67 67 A D S S+ 0 0 126 63,-0.1 64,-1.0 -2,-0.1 66,-0.4 0.808 143.3 16.1 -68.6 -28.5 17.0 -8.8 19.6 68 68 A Y S S- 0 0 76 62,-0.2 -2,-2.6 63,-0.1 2,-0.7 -0.671 101.6 -80.7-127.7-179.6 16.6 -5.5 17.8 69 69 A I E -H 65 0C 0 42,-2.8 -40,-3.1 -40,-0.3 42,-0.3 -0.849 43.4-177.7 -86.6 116.8 18.9 -2.9 16.3 70 70 A D E - 0 0 9 -6,-1.9 17,-2.4 -2,-0.7 2,-0.3 0.782 60.8 -4.9 -81.9 -30.6 20.0 -0.8 19.4 71 71 A N E -HJ 64 86C 19 -7,-1.6 -7,-2.4 15,-0.3 2,-0.4 -0.987 54.7-161.4-165.8 144.2 22.1 1.8 17.6 72 72 A I E +HJ 63 85C 3 13,-2.1 13,-1.9 -2,-0.3 2,-0.3 -0.999 13.3 163.6-135.0 142.1 23.6 2.8 14.2 73 73 A S E +H 62 0C 24 -11,-2.0 -11,-2.4 -2,-0.4 2,-0.3 -0.967 10.8 179.1-138.8 153.7 26.4 5.1 13.2 74 74 A F E -HJ 61 82C 8 8,-2.6 8,-2.4 -2,-0.3 2,-0.3 -0.989 17.1-151.2-151.6 166.4 28.2 5.3 9.9 75 75 A E E -HJ 60 81C 62 -15,-2.5 -16,-2.4 -2,-0.3 -15,-1.8 -0.966 19.1-137.1-132.2 142.1 31.0 7.2 8.0 76 76 A T E > -H 58 0C 2 4,-2.3 3,-2.6 -2,-0.3 -18,-0.2 -0.598 29.8-106.5 -98.9 169.6 31.2 7.8 4.3 77 77 A N T 3 S+ 0 0 66 -20,-2.0 -19,-0.1 1,-0.3 -1,-0.1 0.713 122.8 59.5 -65.2 -19.7 34.2 7.6 2.0 78 78 A M T 3 S- 0 0 118 -21,-0.3 -1,-0.3 2,-0.1 -20,-0.1 0.281 122.0-106.0 -90.2 7.6 34.0 11.5 2.0 79 79 A G S < S+ 0 0 48 -3,-2.6 2,-0.2 1,-0.3 -2,-0.1 0.604 73.8 139.3 79.1 14.7 34.5 11.7 5.9 80 80 A R - 0 0 102 2,-0.0 -4,-2.3 1,-0.0 2,-0.3 -0.631 37.8-148.8 -87.6 151.9 30.9 12.5 6.6 81 81 A R E -J 75 0C 182 -2,-0.2 2,-0.4 -6,-0.2 -6,-0.2 -0.877 14.9-166.4-125.4 151.0 29.2 11.0 9.6 82 82 A F E -J 74 0C 9 -8,-2.4 -8,-2.6 -2,-0.3 3,-0.2 -0.997 46.9 -57.9-131.0 126.9 25.6 9.9 10.6 83 83 A G E - 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