==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=8-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ANTIVIRAL PROTEIN 30-APR-08 3CZZ . COMPND 2 MOLECULE: CYANOVIRIN-N; . SOURCE 2 ORGANISM_SCIENTIFIC: NOSTOC ELLIPSOSPORUM; . AUTHOR E.MATEI,W.FUREY,A.M.GRONENBORN . 202 2 4 4 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10265.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 144 71.3 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 . 78 38.6 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 . 6 3.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 6 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 . 23 11.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 29 14.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 8 4.0 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 2 2 4 0 4 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 . 4 4 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 0 135 0, 0.0 2,-0.3 0, 0.0 90,-0.1 0.000 360.0 360.0 360.0 154.9 -14.8 14.9 -9.0 2 2 A G + 0 0 11 88,-0.3 91,-0.4 1,-0.1 87,-0.2 -0.527 360.0 142.7 75.0-131.5 -16.6 12.3 -7.0 3 3 A K > + 0 0 85 85,-2.6 3,-2.0 -2,-0.3 4,-0.4 0.716 15.4 154.9 63.6 29.0 -18.2 13.4 -3.7 4 4 A F G > + 0 0 1 87,-2.4 3,-1.8 1,-0.3 4,-0.5 0.846 63.8 69.6 -54.5 -33.2 -21.3 11.3 -3.9 5 5 A S G 3 S+ 0 0 25 86,-0.3 3,-0.5 1,-0.3 -1,-0.3 0.759 87.0 67.1 -61.6 -20.8 -21.7 11.3 -0.1 6 6 A Q G < S+ 0 0 148 -3,-2.0 -1,-0.3 1,-0.2 -2,-0.2 0.746 115.8 23.9 -70.3 -22.2 -22.6 15.0 -0.2 7 7 A T S < S+ 0 0 67 -3,-1.8 16,-2.5 -4,-0.4 2,-0.3 0.155 116.3 67.5-129.7 18.6 -25.9 14.3 -2.0 8 8 A a E -A 22 0A 14 -4,-0.5 2,-0.3 -3,-0.5 14,-0.3 -0.917 53.7-179.6-134.4 160.8 -26.7 10.7 -1.1 9 9 A Y E +A 21 0A 117 12,-2.5 12,-2.6 -2,-0.3 -3,-0.0 -0.931 56.1 49.4-152.6 175.2 -27.6 8.9 2.1 10 10 A N E S+ 0 0 124 -2,-0.3 2,-0.1 10,-0.2 -1,-0.1 0.901 74.0 177.3 54.0 44.4 -28.4 5.5 3.5 11 11 A S E + 0 0 30 9,-0.1 2,-0.3 -3,-0.1 9,-0.2 -0.473 6.7 177.5 -79.0 151.7 -25.3 4.1 1.8 12 12 A A E -A 19 0A 52 7,-2.3 7,-2.8 -2,-0.1 2,-0.4 -0.994 21.3-145.4-153.0 150.1 -24.3 0.5 2.2 13 13 A I E +A 18 0A 21 -2,-0.3 2,-0.4 5,-0.2 50,-0.2 -0.982 15.0 176.4-120.6 128.7 -21.7 -1.9 0.9 14 14 A Q E > S-A 17 0A 161 3,-2.3 3,-2.4 -2,-0.4 2,-0.4 -0.961 71.2 -44.9-129.8 111.5 -22.3 -5.6 0.3 15 15 A G T 3 S- 0 0 28 -2,-0.4 44,-0.0 46,-0.3 20,-0.0 -0.522 125.2 -25.7 65.2-120.2 -19.3 -7.4 -1.1 16 16 A S T 3 S+ 0 0 16 -2,-0.4 20,-2.4 -3,-0.1 2,-0.5 0.369 116.3 105.4-105.1 7.1 -18.0 -5.0 -3.8 17 17 A V E < -AB 14 35A 43 -3,-2.4 -3,-2.3 18,-0.2 2,-0.5 -0.771 52.2-160.2 -98.8 124.0 -21.4 -3.4 -4.4 18 18 A L E -AB 13 34A 0 16,-2.9 16,-2.1 -2,-0.5 2,-0.4 -0.870 9.8-173.5 -99.6 129.3 -22.2 0.1 -3.1 19 19 A T E +AB 12 33A 48 -7,-2.8 -7,-2.3 -2,-0.5 2,-0.3 -0.952 12.1 159.3-120.7 140.3 -25.9 1.1 -2.9 20 20 A S E - B 0 32A 0 12,-2.3 12,-2.5 -2,-0.4 2,-0.6 -0.994 39.6-120.7-156.4 159.5 -27.1 4.6 -2.0 21 21 A T E -AB 9 31A 20 -12,-2.6 -12,-2.5 -2,-0.3 2,-0.3 -0.922 39.9-173.5-106.7 118.8 -30.1 6.9 -2.2 22 22 A a E -AB 8 30A 0 8,-3.1 8,-2.0 -2,-0.6 2,-0.2 -0.876 25.5-116.0-122.0 145.0 -29.2 10.0 -4.1 23 23 A E E - B 0 29A 80 -16,-2.5 73,-0.8 -2,-0.3 6,-0.3 -0.546 32.2-126.5 -79.2 137.9 -30.9 13.3 -5.0 24 24 A R > - 0 0 82 4,-3.1 3,-1.4 71,-0.3 4,-0.1 -0.371 30.8-100.2 -76.0 161.3 -31.7 14.0 -8.6 25 25 A T T 3 S+ 0 0 94 1,-0.3 3,-0.1 -2,-0.1 -1,-0.1 0.884 120.4 29.1 -51.7 -48.0 -30.4 17.2 -10.2 26 26 A N T 3 S- 0 0 164 1,-0.4 -1,-0.3 69,-0.0 2,-0.1 0.251 130.8 -72.6 -99.9 12.1 -33.7 19.1 -10.1 27 27 A G S < S+ 0 0 32 -3,-1.4 -1,-0.4 1,-0.3 -2,-0.1 -0.374 86.4 86.7 117.1 163.9 -35.1 17.3 -7.0 28 28 A G - 0 0 42 -2,-0.1 -4,-3.1 -3,-0.1 2,-0.3 -0.105 63.8-105.0 89.6 164.1 -36.5 13.9 -6.2 29 29 A Y E -B 23 0A 122 -6,-0.3 2,-0.3 -2,-0.1 -6,-0.2 -0.888 23.9-169.7-131.5 158.1 -34.5 10.8 -5.1 30 30 A N E -B 22 0A 41 -8,-2.0 -8,-3.1 -2,-0.3 2,-0.5 -0.994 17.8-139.1-146.6 137.7 -33.3 7.5 -6.6 31 31 A T E +B 21 0A 86 -2,-0.3 2,-0.3 -10,-0.3 -10,-0.2 -0.865 37.5 160.5 -97.1 125.0 -31.7 4.4 -5.1 32 32 A S E -B 20 0A 8 -12,-2.5 -12,-2.3 -2,-0.5 2,-0.3 -0.866 25.7-140.9-137.2 175.6 -28.9 3.0 -7.3 33 33 A S E -B 19 0A 41 102,-0.4 2,-0.4 -2,-0.3 -14,-0.2 -0.950 5.8-166.1-136.3 156.3 -25.9 0.8 -7.1 34 34 A I E -B 18 0A 9 -16,-2.1 -16,-2.9 -2,-0.3 2,-1.0 -0.990 24.6-128.9-141.5 136.7 -22.4 0.7 -8.5 35 35 A D E > -B 17 0A 65 -2,-0.4 3,-1.8 -18,-0.2 -18,-0.2 -0.787 16.3-165.4 -89.5 105.1 -20.1 -2.3 -8.5 36 36 A L G >> S+ 0 0 0 -20,-2.4 3,-1.5 -2,-1.0 4,-1.2 0.673 79.1 79.9 -63.2 -16.7 -16.8 -1.0 -7.1 37 37 A N G 34 S+ 0 0 29 -21,-0.4 16,-3.1 1,-0.3 -1,-0.3 0.742 85.8 60.6 -65.3 -19.6 -15.1 -4.2 -8.3 38 38 A S G <4 S+ 0 0 28 -3,-1.8 -1,-0.3 14,-0.2 -2,-0.2 0.702 117.3 26.2 -77.8 -16.8 -15.0 -2.6 -11.7 39 39 A V T <4 S+ 0 0 1 -3,-1.5 11,-0.5 -4,-0.2 2,-0.4 0.345 107.3 69.9-132.8 5.4 -12.9 0.4 -10.6 40 40 A I < - 0 0 0 -4,-1.2 14,-2.2 9,-0.1 15,-0.3 -0.993 54.7-171.4-129.6 134.9 -10.8 -0.5 -7.5 41 41 A A E -C 48 0B 11 7,-2.8 7,-2.5 -2,-0.4 2,-0.5 -0.722 18.8-135.2-114.0 168.1 -7.8 -2.9 -7.5 42 42 A A E -C 47 0B 25 10,-0.3 2,-0.5 -2,-0.2 5,-0.2 -0.980 22.2-175.4-127.1 116.1 -5.8 -4.4 -4.6 43 43 A V E > S-C 46 0B 85 3,-2.6 3,-2.0 -2,-0.5 32,-0.1 -0.961 71.9 -23.4-119.8 117.3 -2.1 -4.3 -5.1 44 44 A D T 3 S- 0 0 104 -2,-0.5 31,-0.2 1,-0.3 -1,-0.2 0.860 130.9 -46.0 48.8 42.8 0.2 -6.0 -2.5 45 45 A G T 3 S+ 0 0 0 29,-0.7 2,-0.5 1,-0.2 28,-0.4 0.256 115.8 110.6 91.5 -11.0 -2.6 -5.6 0.0 46 46 A S E < -C 43 0B 70 -3,-2.0 -3,-2.6 28,-0.1 -1,-0.2 -0.856 64.1-130.5-105.9 128.5 -3.6 -2.0 -0.7 47 47 A L E +C 42 0B 15 -2,-0.5 2,-0.3 -5,-0.2 -5,-0.2 -0.496 38.3 170.3 -67.1 140.6 -6.8 -0.8 -2.3 48 48 A K E -C 41 0B 84 -7,-2.5 -7,-2.8 -2,-0.2 6,-0.1 -0.993 32.4-119.6-152.3 154.3 -6.2 1.6 -5.2 49 49 A W S S+ 0 0 26 -2,-0.3 -9,-0.1 -9,-0.2 3,-0.1 -0.301 85.6 59.7 -80.5 175.8 -7.9 3.4 -8.1 50 50 A Q S S+ 0 0 120 -11,-0.5 2,-0.3 1,-0.3 -1,-0.2 0.952 101.9 53.3 65.5 53.4 -6.8 2.8 -11.7 51 51 A G - 0 0 32 -12,-0.3 -1,-0.3 -3,-0.1 2,-0.3 -0.958 69.8-130.9 174.3-175.1 -7.5 -0.9 -11.8 52 52 A S + 0 0 72 -2,-0.3 -10,-0.3 -13,-0.2 -14,-0.2 -0.921 63.8 54.5-151.6 172.9 -10.2 -3.5 -11.1 53 53 A N > + 0 0 77 -16,-3.1 3,-1.5 -2,-0.3 4,-0.4 0.715 45.7 151.3 69.5 33.6 -11.0 -6.8 -9.3 54 54 A F G >> + 0 0 0 -14,-2.2 3,-1.9 1,-0.3 4,-0.8 0.821 64.5 72.4 -60.0 -28.3 -10.0 -6.0 -5.8 55 55 A I G 34 S+ 0 0 56 1,-0.3 3,-0.4 -15,-0.3 -1,-0.3 0.774 84.3 67.4 -62.9 -21.8 -12.6 -8.4 -4.5 56 56 A E G <4 S+ 0 0 145 -3,-1.5 -1,-0.3 1,-0.2 -2,-0.2 0.767 112.8 30.9 -66.7 -24.8 -10.5 -11.4 -5.7 57 57 A A T <4 S+ 0 0 20 -3,-1.9 17,-2.8 -4,-0.4 2,-0.3 0.421 113.8 73.1-113.5 2.1 -7.8 -10.5 -3.1 58 58 A b E < -D 73 0C 16 -4,-0.8 2,-0.3 -3,-0.4 15,-0.2 -0.815 47.2-178.7-127.6 158.4 -10.0 -9.1 -0.3 59 59 A R E +D 72 0C 124 13,-2.7 13,-2.2 -2,-0.3 -3,-0.0 -0.866 60.0 39.0-140.0 173.6 -12.5 -10.0 2.4 60 60 A N E - 0 0 86 -2,-0.3 2,-0.2 11,-0.2 -1,-0.1 0.892 69.2-170.9 48.9 51.3 -14.6 -8.3 5.0 61 61 A T E + 0 0 22 10,-0.1 2,-0.3 -3,-0.1 -46,-0.3 -0.493 11.0 168.4 -73.0 141.5 -15.6 -5.3 3.0 62 62 A Q E -D 70 0C 106 8,-2.4 8,-2.7 -2,-0.2 2,-0.6 -0.982 39.0-115.8-150.0 156.8 -17.4 -2.6 4.9 63 63 A L E -D 69 0C 50 -2,-0.3 2,-0.5 -50,-0.2 6,-0.2 -0.877 31.1-162.3 -94.3 123.9 -18.5 1.0 4.6 64 64 A A E >> -D 68 0C 28 4,-3.0 4,-2.2 -2,-0.6 3,-0.6 -0.928 58.9 -30.6-108.6 129.1 -16.7 3.2 7.2 65 65 A G T 34 S- 0 0 72 -2,-0.5 -2,-0.0 1,-0.2 0, 0.0 -0.350 112.2 -45.5 63.5-141.7 -18.3 6.5 7.9 66 66 A S T 34 S+ 0 0 73 1,-0.1 -1,-0.2 -56,-0.0 -55,-0.1 0.651 134.0 14.6 -98.4 -18.1 -20.1 8.0 4.9 67 67 A S T <4 S+ 0 0 13 -3,-0.6 20,-2.5 -63,-0.0 21,-0.5 0.378 91.2 104.4-142.6 6.8 -17.6 7.4 2.1 68 68 A E E < -DE 64 86C 65 -4,-2.2 -4,-3.0 18,-0.2 2,-0.5 -0.799 48.6-151.3-103.3 138.4 -14.8 5.0 2.9 69 69 A L E -DE 63 85C 0 16,-2.9 16,-2.0 -2,-0.4 2,-0.4 -0.908 20.5-172.7 -98.1 125.3 -14.5 1.4 1.7 70 70 A A E +DE 62 84C 15 -8,-2.7 -8,-2.4 -2,-0.5 2,-0.3 -0.925 15.0 145.7-117.8 146.1 -12.5 -0.7 4.3 71 71 A A E - E 0 83C 5 12,-2.5 12,-2.5 -2,-0.4 2,-0.5 -0.939 46.3-109.3-161.1 179.5 -11.4 -4.3 3.7 72 72 A E E -DE 59 82C 55 -13,-2.2 -13,-2.7 -2,-0.3 2,-0.4 -0.998 39.7-170.5-122.1 124.5 -8.7 -6.9 4.5 73 73 A b E -DE 58 81C 0 8,-2.6 8,-2.3 -2,-0.5 2,-0.4 -0.919 23.8-108.8-125.8 148.7 -6.6 -7.7 1.4 74 74 A K E - E 0 80C 111 -17,-2.8 -29,-0.7 -2,-0.4 6,-0.2 -0.554 28.7-145.8 -79.4 124.3 -3.9 -10.4 0.6 75 75 A T > - 0 0 25 4,-2.8 3,-1.1 -2,-0.4 -30,-0.1 -0.354 29.6-106.3 -79.5 166.3 -0.3 -9.3 0.2 76 76 A A T 3 S+ 0 0 96 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.856 121.8 58.3 -60.2 -35.7 2.1 -10.9 -2.2 77 77 A A T 3 S- 0 0 100 2,-0.1 -1,-0.3 1,-0.1 3,-0.1 0.697 121.6-107.3 -69.1 -20.0 3.8 -12.5 0.8 78 78 A G S < S+ 0 0 39 -3,-1.1 2,-0.1 1,-0.4 -2,-0.1 -0.059 80.9 107.5 123.6 -37.9 0.5 -14.2 1.8 79 79 A Q - 0 0 159 -5,-0.1 -4,-2.8 1,-0.1 -1,-0.4 -0.390 65.3-118.0 -78.2 154.8 -0.9 -12.5 4.9 80 80 A F E -E 74 0C 65 -6,-0.2 2,-0.3 -2,-0.1 -6,-0.2 -0.658 26.8-165.0 -89.5 148.2 -3.9 -10.1 4.8 81 81 A V E -E 73 0C 62 -8,-2.3 -8,-2.6 -2,-0.3 2,-0.3 -0.947 26.1-108.2-130.3 152.6 -3.6 -6.5 5.8 82 82 A S E +E 72 0C 101 -2,-0.3 2,-0.3 -10,-0.2 -10,-0.2 -0.604 46.1 170.5 -76.4 140.3 -6.3 -3.9 6.7 83 83 A T E -E 71 0C 14 -12,-2.5 -12,-2.5 -2,-0.3 2,-0.3 -0.982 14.3-168.9-149.8 154.7 -6.7 -1.3 4.0 84 84 A K E -E 70 0C 108 -2,-0.3 2,-0.3 -14,-0.2 -14,-0.2 -0.966 4.1-168.8-144.3 159.2 -9.1 1.6 3.1 85 85 A I E -E 69 0C 16 -16,-2.0 -16,-2.9 -2,-0.3 2,-0.8 -0.982 28.0-119.1-149.9 142.8 -9.9 3.9 0.2 86 86 A N E > -E 68 0C 58 -2,-0.3 3,-1.8 -18,-0.2 4,-0.3 -0.775 17.3-164.2 -90.7 107.1 -12.1 7.0 0.1 87 87 A L G >> S+ 0 0 0 -20,-2.5 4,-2.3 -2,-0.8 3,-1.1 0.723 83.0 74.1 -61.2 -24.6 -14.9 6.4 -2.4 88 88 A D G 34 S+ 0 0 15 -21,-0.5 -85,-2.6 1,-0.2 -1,-0.3 0.657 82.5 71.4 -65.4 -12.9 -15.6 10.2 -2.5 89 89 A D G <4 S+ 0 0 73 -3,-1.8 -1,-0.2 -87,-0.2 -2,-0.2 0.877 123.3 1.2 -68.6 -35.1 -12.5 10.6 -4.6 90 90 A H T <4 S+ 0 0 37 -3,-1.1 11,-2.2 -4,-0.3 2,-0.5 0.377 107.6 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-0.774 360.0 360.0 -94.7 138.7 -17.3 6.5 -11.5 101 101 A E 0 0 56 -11,-2.2 -10,-0.2 -2,-0.4 -1,-0.1 0.397 360.0 360.0-157.2 360.0 -15.3 9.6 -12.7 102 !* 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 103 1 B L 0 0 127 0, 0.0 2,-0.3 0, 0.0 90,-0.2 0.000 360.0 360.0 360.0 156.2 -23.4 -12.6 -22.0 104 2 B G + 0 0 12 88,-0.3 91,-0.5 1,-0.1 87,-0.2 -0.518 360.0 149.1 75.7-127.6 -25.3 -9.3 -21.9 105 3 B K > + 0 0 104 85,-2.2 3,-2.0 -2,-0.3 4,-0.3 0.665 14.0 153.6 64.4 28.2 -28.1 -8.9 -24.3 106 4 B F G > + 0 0 0 87,-2.5 3,-1.9 1,-0.3 4,-0.3 0.814 61.8 71.3 -54.0 -32.6 -30.2 -6.6 -22.1 107 5 B S G > S+ 0 0 24 1,-0.3 3,-0.5 86,-0.3 -1,-0.3 0.730 85.9 66.0 -62.2 -19.2 -31.9 -5.1 -25.2 108 6 B Q G < S+ 0 0 136 -3,-2.0 -1,-0.3 1,-0.2 -2,-0.2 0.699 115.2 26.1 -74.9 -17.4 -33.9 -8.3 -25.9 109 7 B T G < S+ 0 0 45 -3,-1.9 16,-2.7 -4,-0.3 2,-0.3 0.093 113.3 67.8-133.8 25.1 -35.9 -7.9 -22.6 110 8 B c E < -G 124 0E 17 -3,-0.5 2,-0.3 -4,-0.3 14,-0.2 -0.900 53.7-170.8-138.6 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