==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=30-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HIV-INACTIVATING PROTEIN 06-MAY-98 2EZN . COMPND 2 MOLECULE: CYANOVIRIN-N; . SOURCE 2 ORGANISM_SCIENTIFIC: NOSTOC ELLIPSOSPORUM; . AUTHOR C.A.BEWLEY,A.M.GRONENBORN,G.M.CLORE . 101 1 2 2 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 5919.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 70 69.3 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 . 40 39.6 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 . 3 3.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 3 3.0 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-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 . 12 11.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 14 13.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 3 3.0 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 0 0 2 2 0 2 0 0 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 . 2 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 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 L 0 0 133 0, 0.0 90,-0.2 0, 0.0 89,-0.1 0.000 360.0 360.0 360.0 137.3 83.3 10.8 -4.4 2 2 A G + 0 0 14 88,-0.4 91,-0.3 1,-0.1 90,-0.2 -0.369 360.0 140.9 63.5-141.3 80.0 9.7 -2.7 3 3 A K > + 0 0 105 88,-0.3 3,-3.3 84,-0.2 4,-0.3 0.668 17.1 157.6 76.8 18.3 79.6 11.3 0.8 4 4 A F G > + 0 0 5 87,-1.6 3,-1.1 1,-0.3 4,-0.5 0.722 60.8 78.2 -47.3 -19.0 75.9 11.8 0.2 5 5 A S G 3 S+ 0 0 40 1,-0.2 -1,-0.3 2,-0.2 3,-0.2 0.689 77.9 71.5 -69.4 -11.6 75.6 11.9 4.0 6 6 A Q G < S+ 0 0 144 -3,-3.3 -1,-0.2 1,-0.2 -2,-0.2 0.827 116.1 19.0 -72.6 -28.8 76.9 15.5 3.9 7 7 A T S < S+ 0 0 66 -3,-1.1 16,-1.8 -4,-0.3 2,-0.3 0.162 115.7 75.3-127.0 20.2 73.6 16.8 2.4 8 8 A a E +A 22 0A 13 -4,-0.5 2,-0.3 14,-0.2 14,-0.2 -0.939 53.8 179.8-130.0 152.7 71.1 14.0 3.2 9 9 A Y E +A 21 0A 102 12,-1.9 12,-1.3 -2,-0.3 3,-0.1 -0.923 57.0 41.5-146.3 170.4 69.5 13.1 6.6 10 10 A N E S- 0 0 134 -2,-0.3 -1,-0.1 1,-0.2 2,-0.1 0.897 76.0-177.5 56.6 37.7 67.0 10.5 8.1 11 11 A S E + 0 0 26 -3,-0.1 2,-0.3 9,-0.1 9,-0.2 -0.389 3.8 179.5 -68.0 144.2 68.8 7.9 6.0 12 12 A A E -A 19 0A 52 7,-2.3 7,-2.1 -3,-0.1 2,-0.4 -0.987 17.3-152.0-145.4 154.1 67.3 4.4 6.3 13 13 A I E +A 18 0A 26 -2,-0.3 2,-0.4 5,-0.2 50,-0.3 -0.991 11.4 177.8-132.3 133.9 68.0 0.9 4.9 14 14 A Q E > -A 17 0A 160 3,-1.8 3,-2.0 -2,-0.4 2,-0.4 -0.963 66.9 -42.8-136.0 116.3 65.6 -2.0 4.3 15 15 A G T 3 S- 0 0 38 46,-0.4 44,-0.0 -2,-0.4 0, 0.0 -0.475 121.1 -31.9 64.7-119.1 66.8 -5.2 2.7 16 16 A S T 3 S+ 0 0 20 -2,-0.4 20,-2.0 -3,-0.1 2,-0.5 0.380 114.4 104.9-111.4 -0.3 69.0 -4.0 -0.2 17 17 A V E < -AB 14 35A 57 -3,-2.0 -3,-1.8 18,-0.2 2,-0.5 -0.718 58.2-152.0 -88.5 125.0 67.1 -0.8 -0.9 18 18 A L E -AB 13 34A 1 16,-2.4 16,-1.8 -2,-0.5 2,-0.4 -0.796 18.0-178.8 -93.2 128.5 68.8 2.5 0.2 19 19 A T E +AB 12 33A 49 -7,-2.1 -7,-2.3 -2,-0.5 2,-0.3 -0.989 11.7 146.6-130.5 130.7 66.2 5.2 1.0 20 20 A S E - B 0 32A 3 12,-1.6 12,-1.5 -2,-0.4 2,-0.6 -1.000 45.7-112.5-159.2 160.3 67.0 8.8 2.1 21 21 A T E -AB 9 31A 25 -12,-1.3 -12,-1.9 -2,-0.3 2,-0.3 -0.847 39.4-175.8 -97.9 122.8 65.9 12.5 1.9 22 22 A a E -AB 8 30A 0 8,-3.3 8,-3.7 -2,-0.6 2,-0.2 -0.888 26.7-108.6-121.6 152.0 68.5 14.6 0.0 23 23 A E E - B 0 29A 80 -16,-1.8 73,-0.4 -2,-0.3 6,-0.2 -0.541 31.1-128.2 -78.8 140.4 68.6 18.4 -0.6 24 24 A R > - 0 0 127 4,-2.7 3,-1.3 -2,-0.2 72,-0.2 -0.460 18.8-118.1 -83.1 155.4 68.0 19.7 -4.2 25 25 A T T 3 S+ 0 0 103 1,-0.3 -1,-0.1 -2,-0.1 3,-0.1 0.893 115.1 47.4 -63.4 -40.0 70.5 22.0 -5.9 26 26 A N T 3 S- 0 0 152 1,-0.3 -1,-0.3 69,-0.1 -2,-0.0 0.062 129.1 -90.0 -91.4 29.4 67.9 24.8 -6.2 27 27 A G S < S+ 0 0 38 -3,-1.3 -1,-0.3 1,-0.2 2,-0.1 0.144 86.9 89.1 78.7 153.3 66.9 24.4 -2.6 28 28 A G S S- 0 0 42 -4,-0.1 -4,-2.7 -3,-0.1 2,-0.4 -0.307 73.3 -90.6 106.9 167.0 64.1 22.1 -1.3 29 29 A Y E -B 23 0A 134 -6,-0.2 2,-0.3 -2,-0.1 -6,-0.2 -0.922 31.6-163.2-120.0 145.5 64.3 18.4 -0.3 30 30 A N E -B 22 0A 48 -8,-3.7 -8,-3.3 -2,-0.4 2,-0.4 -0.944 5.7-152.3-125.7 145.6 63.9 15.3 -2.5 31 31 A T E +B 21 0A 89 -2,-0.3 2,-0.3 -10,-0.2 -10,-0.2 -0.965 27.2 151.9-119.9 129.9 63.2 11.7 -1.4 32 32 A S E -B 20 0A 26 -12,-1.5 -12,-1.6 -2,-0.4 2,-0.3 -0.958 28.7-141.2-150.9 169.2 64.3 8.7 -3.6 33 33 A S E -B 19 0A 72 -2,-0.3 2,-0.3 -14,-0.2 -14,-0.2 -0.981 13.6-177.9-135.6 148.1 65.4 5.0 -3.4 34 34 A I E -B 18 0A 52 -16,-1.8 -16,-2.4 -2,-0.3 2,-0.6 -0.999 29.8-116.8-145.3 145.3 68.0 3.0 -5.3 35 35 A D E > -B 17 0A 72 -2,-0.3 3,-0.7 -18,-0.2 -18,-0.2 -0.726 15.8-166.6 -87.2 119.2 69.0 -0.7 -5.1 36 36 A L G >> S+ 0 0 3 -20,-2.0 3,-1.8 -2,-0.6 4,-1.1 0.544 73.7 90.3 -78.4 -5.0 72.6 -1.2 -3.9 37 37 A N G 34 S+ 0 0 30 -21,-0.3 16,-0.8 1,-0.3 15,-0.8 0.895 77.8 59.3 -60.1 -39.4 72.3 -4.9 -5.2 38 38 A S G <4 S+ 0 0 75 -3,-0.7 -1,-0.3 1,-0.2 -2,-0.1 0.441 116.2 33.7 -71.2 3.8 73.6 -3.9 -8.7 39 39 A V T <4 S+ 0 0 23 -3,-1.8 11,-0.6 11,-0.2 2,-0.4 0.456 103.2 75.1-136.3 -4.2 76.9 -2.6 -7.1 40 40 A I E < +C 49 0B 0 -4,-1.1 14,-1.2 -3,-0.5 12,-0.6 -0.940 51.0 176.7-118.7 130.9 77.7 -4.8 -4.0 41 41 A E E -C 48 0B 39 7,-2.5 7,-3.2 -2,-0.4 2,-0.6 -0.891 30.4-119.6-124.9 158.2 79.1 -8.4 -4.1 42 42 A N E -C 47 0B 26 -2,-0.3 2,-0.8 5,-0.2 5,-0.2 -0.859 24.6-167.4-100.0 118.5 80.2 -10.8 -1.4 43 43 A V E > -C 46 0B 56 3,-3.7 3,-1.4 -2,-0.6 33,-0.0 -0.815 68.6 -49.0-110.6 98.4 83.9 -11.8 -1.7 44 44 A D T 3 S- 0 0 76 -2,-0.8 32,-0.2 1,-0.3 31,-0.1 0.846 129.0 -25.4 47.9 40.0 84.7 -14.8 0.6 45 45 A G T 3 S+ 0 0 10 29,-0.4 2,-0.4 1,-0.2 -1,-0.3 0.231 122.4 88.8 115.5 -18.7 83.0 -13.1 3.6 46 46 A S E < S-C 43 0B 54 -3,-1.4 -3,-3.7 37,-0.1 2,-0.4 -0.932 71.2-124.5-120.4 142.0 83.3 -9.3 2.7 47 47 A L E -C 42 0B 10 -2,-0.4 2,-0.3 -5,-0.2 -5,-0.2 -0.627 35.5-176.6 -79.0 128.4 81.0 -7.0 0.7 48 48 A K E -C 41 0B 116 -7,-3.2 -7,-2.5 -2,-0.4 2,-2.0 -0.847 39.8 -95.1-123.7 161.6 82.9 -5.3 -2.1 49 49 A W E S+C 40 0B 52 -2,-0.3 -9,-0.3 -9,-0.2 -7,-0.0 -0.480 88.1 96.8 -76.2 81.3 81.9 -2.6 -4.7 50 50 A Q S S- 0 0 108 -2,-2.0 -11,-0.2 -11,-0.6 -2,-0.2 -0.922 77.2-101.4-165.6 137.2 80.9 -5.0 -7.6 51 51 A P + 0 0 84 0, 0.0 -10,-0.2 0, 0.0 -13,-0.2 -0.374 64.0 120.1 -65.9 140.6 77.6 -6.6 -8.8 52 52 A S S S- 0 0 63 -15,-0.8 -10,-0.1 -12,-0.6 -11,-0.1 0.245 83.8 -95.0 178.8 12.3 76.7 -10.2 -7.8 53 53 A N > - 0 0 59 -16,-0.8 3,-1.1 -13,-0.2 4,-0.5 0.996 48.6-176.6 60.0 62.6 73.5 -10.1 -5.8 54 54 A F G > S+ 0 0 2 -14,-1.2 3,-2.3 -17,-0.4 4,-0.5 0.917 76.3 64.9 -60.0 -42.9 75.1 -10.0 -2.4 55 55 A I G > S+ 0 0 53 1,-0.3 3,-0.7 2,-0.2 -1,-0.3 0.796 88.6 71.1 -54.2 -23.0 71.8 -10.1 -0.6 56 56 A E G < S+ 0 0 144 -3,-1.1 -1,-0.3 1,-0.2 -2,-0.2 0.871 114.5 23.9 -62.6 -32.6 71.4 -13.6 -2.1 57 57 A T G < S+ 0 0 58 -3,-2.3 17,-1.8 -4,-0.5 2,-0.3 0.161 119.7 69.0-117.7 18.7 74.1 -14.8 0.3 58 58 A b E < -D 73 0C 8 -3,-0.7 2,-0.3 -4,-0.5 15,-0.2 -0.937 55.9-177.1-135.0 156.3 73.8 -12.1 3.1 59 59 A R E +D 72 0C 124 13,-2.1 13,-1.8 -2,-0.3 -3,-0.0 -0.871 54.6 44.3-142.0 178.8 71.1 -11.3 5.7 60 60 A N E - 0 0 92 -2,-0.3 2,-0.3 11,-0.2 -1,-0.2 0.919 65.7-175.3 49.1 51.1 70.2 -8.8 8.5 61 61 A T E + 0 0 22 10,-0.1 -46,-0.4 -3,-0.1 2,-0.3 -0.598 13.9 158.9 -76.7 132.7 71.2 -5.8 6.4 62 62 A Q E -D 70 0C 93 8,-1.8 8,-1.3 -2,-0.3 2,-0.6 -0.950 45.6 -92.5-148.5 169.5 70.9 -2.6 8.6 63 63 A L E -D 69 0C 65 -2,-0.3 2,-0.5 -50,-0.3 6,-0.2 -0.748 39.6-172.4 -88.9 123.8 72.1 1.0 8.9 64 64 A A E > -D 68 0C 22 4,-2.6 4,-1.3 -2,-0.6 3,-0.1 -0.957 52.9 -29.5-118.5 128.8 75.3 1.4 11.1 65 65 A G T 4 S- 0 0 67 -2,-0.5 -2,-0.0 1,-0.2 0, 0.0 -0.299 104.4 -51.5 65.9-152.2 76.7 4.8 12.0 66 66 A S T 4 S+ 0 0 88 1,-0.1 -1,-0.2 3,-0.0 -55,-0.1 0.839 133.1 1.9 -90.4 -38.6 76.1 7.7 9.6 67 67 A S T 4 S+ 0 0 9 -3,-0.1 20,-2.1 -4,-0.0 21,-0.4 0.293 102.8 106.0-132.6 8.1 77.4 6.1 6.3 68 68 A E E < -DE 64 86C 83 -4,-1.3 -4,-2.6 18,-0.2 2,-0.6 -0.773 51.5-153.8 -97.3 138.3 78.4 2.5 7.2 69 69 A L E -DE 63 85C 2 16,-2.1 16,-1.5 -2,-0.4 2,-0.4 -0.920 12.8-167.1-109.1 119.9 76.3 -0.5 6.2 70 70 A A E +DE 62 84C 22 -8,-1.3 -8,-1.8 -2,-0.6 2,-0.3 -0.869 19.0 147.6-109.0 140.2 76.7 -3.6 8.5 71 71 A A E - E 0 83C 5 12,-2.2 12,-2.6 -2,-0.4 2,-0.4 -0.948 44.2-108.1-156.1 175.9 75.4 -7.0 7.6 72 72 A E E -DE 59 82C 59 -13,-1.8 -13,-2.1 -2,-0.3 2,-0.3 -0.947 36.6-175.7-115.2 132.7 76.2 -10.8 8.0 73 73 A b E -DE 58 81C 0 8,-1.7 8,-1.8 -2,-0.4 2,-0.3 -0.962 27.8-108.1-133.2 148.8 77.6 -12.7 5.0 74 74 A K E - E 0 80C 70 -17,-1.8 -29,-0.4 -2,-0.3 6,-0.2 -0.538 30.3-149.5 -74.8 133.5 78.5 -16.4 4.3 75 75 A T > - 0 0 25 4,-1.4 3,-2.4 -2,-0.3 -30,-0.2 -0.378 40.6 -89.3 -90.8 174.6 82.2 -17.2 4.0 76 76 A R T 3 S+ 0 0 194 1,-0.3 -1,-0.1 -32,-0.2 -2,-0.1 0.772 129.4 61.2 -57.6 -21.6 83.5 -20.0 1.8 77 77 A A T 3 S- 0 0 66 2,-0.2 -1,-0.3 -33,-0.1 3,-0.1 0.335 116.8-112.3 -89.3 11.0 83.0 -22.2 4.9 78 78 A Q S < S+ 0 0 124 -3,-2.4 2,-0.4 1,-0.2 -2,-0.1 0.843 75.7 129.0 65.2 34.7 79.2 -21.6 5.1 79 79 A Q - 0 0 131 -4,-0.1 -4,-1.4 -6,-0.1 2,-0.4 -0.967 59.7-125.3-122.0 133.1 79.4 -19.6 8.4 80 80 A F E +E 74 0C 83 -2,-0.4 2,-0.3 -6,-0.2 -6,-0.2 -0.618 36.8 174.8 -78.0 126.9 77.8 -16.1 8.8 81 81 A V E -E 73 0C 56 -8,-1.8 -8,-1.7 -2,-0.4 2,-0.3 -0.834 38.7 -85.9-127.2 165.2 80.4 -13.5 10.0 82 82 A S E +E 72 0C 110 -2,-0.3 2,-0.3 -10,-0.2 -10,-0.2 -0.535 50.2 175.3 -73.6 131.7 80.2 -9.7 10.6 83 83 A T E -E 71 0C 7 -12,-2.6 -12,-2.2 -2,-0.3 2,-0.3 -0.939 7.4-177.4-133.6 156.7 80.9 -7.6 7.4 84 84 A K E -E 70 0C 135 -2,-0.3 2,-0.3 -14,-0.2 -14,-0.2 -0.995 6.6-169.6-152.7 156.2 80.8 -3.9 6.7 85 85 A I E -E 69 0C 17 -16,-1.5 -16,-2.1 -2,-0.3 2,-0.8 -0.998 28.8-116.3-147.6 146.2 81.2 -1.5 3.7 86 86 A N E > -E 68 0C 59 -2,-0.3 3,-1.3 -18,-0.2 4,-0.3 -0.744 17.8-166.1 -87.9 113.0 81.5 2.3 3.5 87 87 A L G >> S+ 0 0 1 -20,-2.1 4,-1.7 -2,-0.8 3,-0.8 0.750 83.6 72.0 -68.3 -21.8 78.5 3.8 1.5 88 88 A D G 34 S+ 0 0 25 -21,-0.4 -1,-0.2 1,-0.2 -20,-0.1 0.671 78.1 79.2 -69.2 -14.6 80.4 7.1 1.1 89 89 A D G <4 S- 0 0 67 -3,-1.3 -1,-0.2 -87,-0.2 -2,-0.1 0.882 122.0 -11.2 -62.5 -40.0 82.9 5.5 -1.4 90 90 A H T <4 S+ 0 0 47 -3,-0.8 11,-1.6 -4,-0.3 2,-0.8 0.488 104.9 101.4-139.3 -11.6 80.5 5.7 -4.4 91 91 A I E < +F 100 0D 2 -4,-1.7 -87,-1.6 9,-0.2 -88,-0.3 -0.690 51.0 168.5 -83.5 111.3 77.0 6.6 -3.3 92 92 A A E -F 99 0D 6 7,-1.2 7,-2.0 -2,-0.8 2,-0.6 -0.758 37.0-120.9-118.8 168.4 76.6 10.4 -4.0 93 93 A N E -F 98 0D 32 -91,-0.3 2,-0.6 -2,-0.2 5,-0.2 -0.922 27.6-176.2-110.0 113.7 73.6 12.9 -4.1 94 94 A I E > S-F 97 0D 73 3,-3.0 3,-1.2 -2,-0.6 -70,-0.0 -0.893 73.8 -25.6-114.9 106.5 73.2 14.5 -7.5 95 95 A D T 3 S- 0 0 85 -2,-0.6 -1,-0.2 1,-0.2 -71,-0.1 0.824 124.8 -50.9 65.1 32.1 70.4 17.2 -7.5 96 96 A G T 3 S+ 0 0 0 -73,-0.4 2,-0.4 1,-0.3 -74,-0.4 0.462 122.4 102.1 86.7 -1.8 68.5 15.6 -4.6 97 97 A T E < S-F 94 0D 50 -3,-1.2 -3,-3.0 -74,-0.1 2,-0.3 -0.933 74.1-121.6-117.6 137.6 68.6 12.2 -6.3 98 98 A L E +F 93 0D 6 -2,-0.4 2,-0.3 -5,-0.2 -5,-0.2 -0.571 35.9 171.2 -78.1 138.1 71.0 9.3 -5.4 99 99 A K E -F 92 0D 112 -7,-2.0 -7,-1.2 -2,-0.3 2,-0.2 -0.962 31.6-125.3-148.6 128.6 73.3 8.1 -8.2 100 100 A Y E F 91 0D 90 -2,-0.3 -9,-0.2 -9,-0.2 -10,-0.0 -0.475 360.0 360.0 -70.9 140.5 76.2 5.6 -8.0 101 101 A E 0 0 96 -11,-1.6 -1,-0.1 -2,-0.2 -10,-0.1 0.085 360.0 360.0-144.0 360.0 79.5 7.1 -9.5