==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=4-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ANTIVIRAL PROTEIN 30-APR-08 2RP3 . COMPND 2 MOLECULE: CYANOVIRIN-N; . SOURCE 2 ORGANISM_SCIENTIFIC: NOSTOC ELLIPSOSPORUM; . AUTHOR E.MATEI,W.FUREY,A.M.GRONENBORN . 101 1 2 2 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 5609.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 73 72.3 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 . 37 36.6 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 . 13 12.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 11 10.9 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 1 0 2 1 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 0 164 0, 0.0 2,-0.4 0, 0.0 90,-0.1 0.000 360.0 360.0 360.0 153.2 -3.6 -1.9 -13.7 2 2 A G + 0 0 10 88,-0.6 91,-0.5 1,-0.1 87,-0.2 -0.542 360.0 131.8 74.0-122.2 -3.9 -0.8 -10.1 3 3 A K > + 0 0 110 85,-1.8 3,-1.7 -2,-0.4 4,-0.4 0.801 22.9 155.7 39.0 40.9 -5.8 2.5 -9.7 4 4 A F G > + 0 0 2 87,-1.9 3,-2.0 1,-0.3 4,-0.2 0.863 63.5 71.3 -61.2 -33.4 -7.9 0.9 -6.9 5 5 A S G > S+ 0 0 42 1,-0.3 3,-0.6 86,-0.3 -1,-0.3 0.734 84.8 68.2 -54.3 -23.9 -8.5 4.4 -5.6 6 6 A Q G < S+ 0 0 148 -3,-1.7 -1,-0.3 1,-0.2 -2,-0.2 0.839 119.2 19.3 -66.4 -32.0 -10.7 5.0 -8.7 7 7 A T G < S+ 0 0 42 -3,-2.0 16,-1.5 -4,-0.4 2,-0.4 -0.009 116.7 82.5-126.5 27.6 -13.2 2.5 -7.2 8 8 A a E < +A 22 0A 16 -3,-0.6 2,-0.3 14,-0.2 14,-0.2 -0.997 49.6 172.2-136.3 138.1 -12.1 2.5 -3.6 9 9 A Y E +A 21 0A 100 12,-3.2 12,-1.5 -2,-0.4 -3,-0.0 -0.899 56.8 38.9-139.5 166.2 -12.9 5.0 -0.8 10 10 A N E S+ 0 0 120 -2,-0.3 11,-0.3 10,-0.2 -1,-0.2 0.894 77.2 176.0 58.9 41.3 -12.4 5.4 3.0 11 11 A S E - 0 0 24 9,-0.2 2,-0.3 -3,-0.2 9,-0.3 -0.471 7.9-179.1 -78.8 149.6 -8.9 3.9 2.6 12 12 A A E -A 19 0A 51 7,-2.3 7,-2.6 -2,-0.1 2,-0.4 -0.994 13.0-162.7-149.4 149.9 -6.6 3.7 5.5 13 13 A I E +A 18 0A 8 -2,-0.3 50,-0.4 5,-0.2 2,-0.2 -1.000 13.2 165.6-137.9 136.5 -3.0 2.6 6.2 14 14 A Q S S- 0 0 148 3,-1.1 2,-1.1 -2,-0.4 48,-0.2 -0.684 71.5 -32.6-156.4 94.9 -1.3 1.7 9.5 15 15 A G S S- 0 0 22 46,-0.5 47,-0.1 -2,-0.2 3,-0.0 -0.707 127.3 -26.9 98.7 -81.5 2.0 -0.1 9.6 16 16 A S S S+ 0 0 6 -2,-1.1 20,-1.6 45,-0.1 21,-0.9 0.047 110.6 101.5-157.1 28.7 1.8 -2.4 6.6 17 17 A V E - B 0 35A 58 18,-0.3 -3,-1.1 19,-0.1 2,-0.5 -0.972 49.2-161.1-126.4 121.3 -1.9 -3.0 6.1 18 18 A L E +AB 13 34A 0 16,-1.8 16,-2.2 -2,-0.5 2,-0.4 -0.854 15.7 177.8 -98.3 129.1 -4.0 -1.2 3.5 19 19 A T E +AB 12 33A 53 -7,-2.6 -7,-2.3 -2,-0.5 2,-0.3 -0.998 7.9 155.4-135.3 129.1 -7.8 -1.3 4.2 20 20 A S E - B 0 32A 1 12,-1.5 12,-0.7 -2,-0.4 2,-0.5 -0.972 42.1-117.9-157.2 141.2 -10.4 0.4 2.1 21 21 A T E +AB 9 31A 16 -12,-1.5 -12,-3.2 -2,-0.3 2,-0.3 -0.655 41.8 179.6 -79.1 123.2 -14.1 0.1 1.3 22 22 A a E -AB 8 30A 0 8,-2.8 8,-2.8 74,-0.5 2,-0.6 -0.871 33.5-100.4-126.4 158.5 -14.6 -0.6 -2.4 23 23 A E E - B 0 29A 93 -16,-1.5 73,-0.4 -2,-0.3 6,-0.2 -0.675 39.3-130.8 -81.4 120.1 -17.5 -1.2 -4.7 24 24 A R - 0 0 107 4,-2.9 72,-0.2 -2,-0.6 71,-0.1 -0.143 1.1-140.8 -62.9 163.8 -18.1 -4.9 -5.4 25 25 A T S S+ 0 0 114 4,-0.0 -1,-0.1 0, 0.0 71,-0.1 0.733 98.8 17.3 -97.1 -29.8 -18.6 -6.1 -9.0 26 26 A N S S+ 0 0 165 69,-0.1 -2,-0.0 2,-0.0 70,-0.0 0.817 132.3 27.5-104.5 -62.0 -21.3 -8.7 -8.2 27 27 A G S S- 0 0 45 68,-0.2 3,-0.1 1,-0.1 69,-0.0 0.481 94.8 -89.3 -76.9-138.7 -22.6 -7.7 -4.7 28 28 A G S S- 0 0 41 1,-0.3 -4,-2.9 -5,-0.1 2,-0.3 0.635 81.5 -11.7-105.1-101.6 -22.7 -4.3 -3.1 29 29 A Y E -B 23 0A 162 -6,-0.2 2,-0.4 -4,-0.0 -1,-0.3 -0.862 55.1-171.7-111.2 146.1 -19.8 -2.9 -1.0 30 30 A N E -B 22 0A 33 -8,-2.8 -8,-2.8 -2,-0.3 2,-0.6 -0.995 10.3-162.1-139.8 130.9 -16.8 -4.9 0.3 31 31 A T E +B 21 0A 79 -2,-0.4 -10,-0.2 -10,-0.2 2,-0.2 -0.839 29.2 153.6-116.4 93.9 -14.1 -3.7 2.8 32 32 A S E -B 20 0A 37 -12,-0.7 -12,-1.5 -2,-0.6 2,-0.3 -0.472 29.7-135.6-107.8-178.9 -11.1 -6.0 2.6 33 33 A S E -B 19 0A 73 -14,-0.2 2,-0.4 -2,-0.2 -14,-0.2 -0.978 7.1-159.7-141.4 152.5 -7.4 -5.4 3.4 34 34 A I E -B 18 0A 41 -16,-2.2 -16,-1.8 -2,-0.3 2,-0.4 -0.973 23.0-126.8-138.0 120.6 -4.1 -6.3 1.8 35 35 A D E > -B 17 0A 63 -2,-0.4 3,-1.4 -18,-0.2 -18,-0.3 -0.511 10.3-157.1 -67.8 120.1 -0.7 -6.4 3.6 36 36 A L G >> S+ 0 0 1 -20,-1.6 3,-1.2 -2,-0.4 4,-0.6 0.566 84.9 82.0 -73.3 -6.3 1.7 -4.2 1.6 37 37 A N G 34 S+ 0 0 34 -21,-0.9 16,-0.8 1,-0.2 -1,-0.3 0.687 84.9 56.0 -71.2 -19.7 4.4 -6.3 3.3 38 38 A S G <4 S+ 0 0 81 -3,-1.4 -1,-0.2 14,-0.2 -2,-0.2 0.413 120.2 28.9 -92.5 1.1 3.9 -9.0 0.6 39 39 A V T <4 S+ 0 0 15 -3,-1.2 2,-0.4 1,-0.1 11,-0.3 0.239 110.5 71.7-142.2 11.1 4.6 -6.6 -2.3 40 40 A I < - 0 0 3 -4,-0.6 14,-0.4 11,-0.6 2,-0.3 -0.998 53.6-172.3-136.5 135.4 6.9 -3.9 -0.7 41 41 A A E -C 48 0B 19 7,-1.9 7,-1.7 -2,-0.4 2,-0.6 -0.908 18.8-133.8-124.9 151.9 10.6 -4.2 0.3 42 42 A A E +C 47 0B 25 11,-0.6 2,-0.4 10,-0.4 5,-0.2 -0.922 27.8 168.4-110.2 115.9 12.9 -1.7 2.1 43 43 A V S S- 0 0 91 3,-1.6 32,-0.1 -2,-0.6 -2,-0.0 -0.928 75.2 -26.3-130.9 108.5 16.4 -1.1 0.6 44 44 A D S S- 0 0 100 -2,-0.4 31,-0.3 30,-0.3 3,-0.1 0.800 128.6 -48.8 60.2 29.3 18.6 1.7 1.9 45 45 A G S S+ 0 0 7 29,-0.7 2,-0.4 1,-0.2 -1,-0.2 0.891 111.9 122.4 78.8 41.6 15.4 3.5 2.9 46 46 A S - 0 0 52 28,-0.2 -3,-1.6 37,-0.1 2,-0.6 -0.960 53.5-142.7-139.7 118.8 13.6 3.0 -0.4 47 47 A L E +C 42 0B 10 -2,-0.4 2,-0.3 37,-0.2 -5,-0.2 -0.706 27.5 175.0 -84.3 121.7 10.2 1.3 -0.8 48 48 A K E -C 41 0B 138 -7,-1.7 -7,-1.9 -2,-0.6 3,-0.1 -0.902 27.2-115.4-124.9 153.3 10.0 -0.7 -4.0 49 49 A W S S+ 0 0 28 -2,-0.3 -8,-0.2 -9,-0.2 -9,-0.1 0.072 91.1 45.8 -73.3-170.4 7.3 -3.0 -5.4 50 50 A Q S S+ 0 0 177 -11,-0.3 2,-0.3 1,-0.2 -1,-0.2 0.876 101.2 95.0 35.3 59.0 7.6 -6.8 -6.0 51 51 A G - 0 0 18 -3,-0.1 -11,-0.6 -10,-0.0 2,-0.3 -0.935 53.4-156.3-159.3 179.2 9.2 -7.2 -2.6 52 52 A S + 0 0 61 -2,-0.3 -10,-0.4 -13,-0.3 -14,-0.2 -0.922 59.4 61.3-155.5 176.8 8.7 -7.9 1.1 53 53 A N + 0 0 90 -16,-0.8 -11,-0.6 -2,-0.3 -1,-0.2 0.948 63.7 123.2 61.3 54.2 10.2 -7.4 4.6 54 54 A F > + 0 0 1 -14,-0.4 3,-0.9 -13,-0.2 -13,-0.1 0.696 64.0 59.2-109.8 -34.4 9.9 -3.6 4.6 55 55 A I G > S+ 0 0 57 1,-0.3 3,-1.6 -15,-0.2 -14,-0.1 0.859 96.3 63.6 -63.9 -35.7 7.7 -3.1 7.7 56 56 A E G 3 S+ 0 0 140 1,-0.3 -1,-0.3 -19,-0.1 -2,-0.1 0.792 116.3 30.7 -59.0 -27.5 10.4 -4.8 9.7 57 57 A A G < S+ 0 0 28 -3,-0.9 17,-2.4 17,-0.0 2,-0.3 0.113 120.5 62.4-116.3 17.5 12.7 -1.9 8.8 58 58 A b E < +D 73 0C 6 -3,-1.6 2,-0.3 15,-0.2 15,-0.2 -0.986 52.3 166.4-143.9 154.0 9.9 0.7 8.5 59 59 A R E +D 72 0C 108 13,-2.1 13,-2.2 -2,-0.3 -3,-0.0 -0.888 50.6 56.6-152.2-179.5 7.3 2.4 10.7 60 60 A N E + 0 0 103 -2,-0.3 2,-0.3 11,-0.2 -1,-0.2 0.958 67.7 172.3 52.2 58.4 4.9 5.4 10.9 61 61 A T E + 0 0 1 10,-0.2 -46,-0.5 -3,-0.1 2,-0.3 -0.774 3.1 149.2-100.5 143.3 3.1 4.4 7.7 62 62 A Q E -D 70 0C 87 8,-2.0 8,-1.6 -2,-0.3 2,-0.5 -0.961 47.5 -77.7-160.6 175.0 -0.1 6.1 6.5 63 63 A L E -D 69 0C 50 -50,-0.4 2,-0.4 -2,-0.3 6,-0.2 -0.728 41.9-171.2 -87.9 127.4 -2.2 7.3 3.6 64 64 A A E > -D 68 0C 27 4,-2.1 2,-2.7 -2,-0.5 4,-1.3 -0.969 63.3 -18.1-122.6 134.2 -1.1 10.4 1.7 65 65 A G T 4 S- 0 0 79 -2,-0.4 -2,-0.1 1,-0.2 4,-0.0 -0.293 115.9 -67.1 73.4 -58.0 -3.0 12.3 -1.0 66 66 A S T 4 S+ 0 0 80 -2,-2.7 -1,-0.2 2,-0.1 -55,-0.1 0.013 127.9 25.7 168.8 -44.2 -5.4 9.4 -1.6 67 67 A S T 4 S+ 0 0 10 -3,-0.4 20,-2.7 -4,-0.0 21,-1.1 -0.055 98.0 99.5-133.7 32.6 -3.5 6.5 -3.2 68 68 A E E < -DE 64 86C 66 -4,-1.3 -4,-2.1 18,-0.3 2,-0.5 -0.851 58.7-142.1-120.1 155.7 0.1 7.1 -1.9 69 69 A L E -DE 63 85C 4 16,-2.4 16,-0.7 -2,-0.3 2,-0.4 -0.931 15.2-171.7-124.6 109.3 1.9 5.5 1.0 70 70 A A E +DE 62 84C 33 -8,-1.6 -8,-2.0 -2,-0.5 2,-0.3 -0.788 21.4 142.8 -98.8 138.4 4.3 7.6 3.1 71 71 A A E - E 0 83C 7 12,-2.4 12,-2.9 -2,-0.4 2,-0.5 -0.983 46.5-107.6-165.8 165.2 6.5 6.0 5.7 72 72 A E E -DE 59 82C 80 -13,-2.2 -13,-2.1 -2,-0.3 2,-0.4 -0.905 33.1-174.6-107.4 127.3 9.9 6.1 7.3 73 73 A b E -DE 58 81C 0 8,-1.4 8,-2.4 -2,-0.5 2,-0.3 -0.966 27.5-113.9-125.6 138.8 12.5 3.4 6.5 74 74 A K E - E 0 80C 93 -17,-2.4 -29,-0.7 -2,-0.4 6,-0.3 -0.517 31.8-136.8 -72.5 128.1 16.0 2.8 8.0 75 75 A T > - 0 0 28 4,-2.4 3,-1.3 -2,-0.3 -30,-0.1 -0.186 31.8 -95.2 -76.1 173.0 18.9 3.3 5.5 76 76 A A T 3 S+ 0 0 79 1,-0.3 -1,-0.1 2,-0.1 -2,-0.1 0.791 129.8 52.4 -60.2 -27.2 21.9 1.0 5.2 77 77 A A T 3 S- 0 0 94 2,-0.1 -1,-0.3 -33,-0.1 -3,-0.0 0.634 127.5-100.6 -83.3 -14.9 23.7 3.4 7.6 78 78 A G S < S+ 0 0 28 -3,-1.3 2,-0.4 1,-0.3 -2,-0.1 0.780 77.9 132.6 98.8 35.5 20.8 3.1 10.1 79 79 A Q - 0 0 137 -6,-0.1 -4,-2.4 0, 0.0 2,-0.6 -0.976 54.8-128.9-123.7 129.1 18.9 6.4 9.4 80 80 A F E -E 74 0C 58 -2,-0.4 -6,-0.3 -6,-0.3 2,-0.2 -0.631 33.4-177.9 -77.2 115.4 15.2 6.7 8.9 81 81 A V E -E 73 0C 53 -8,-2.4 -8,-1.4 -2,-0.6 2,-0.8 -0.564 35.7 -93.9-106.4 172.7 14.4 8.6 5.7 82 82 A S E -E 72 0C 109 -10,-0.2 2,-0.4 -2,-0.2 -10,-0.2 -0.788 45.6-174.0 -94.1 105.4 11.1 9.6 4.2 83 83 A T E -E 71 0C 10 -12,-2.9 -12,-2.4 -2,-0.8 2,-0.3 -0.793 4.3-179.9-102.8 142.9 9.9 7.0 1.7 84 84 A K E +E 70 0C 146 -2,-0.4 2,-0.3 -14,-0.2 -14,-0.2 -0.952 5.6 172.9-137.0 155.2 6.9 7.3 -0.6 85 85 A I E -E 69 0C 17 -16,-0.7 -16,-2.4 -2,-0.3 2,-0.5 -0.935 34.7-111.9-164.6 138.3 5.3 5.1 -3.2 86 86 A N E > -E 68 0C 46 -2,-0.3 3,-1.1 -18,-0.2 -18,-0.3 -0.640 17.1-161.2 -78.8 121.0 2.0 5.2 -5.3 87 87 A L G >> S+ 0 0 1 -20,-2.7 4,-1.9 -2,-0.5 3,-1.5 0.806 90.6 64.1 -68.5 -31.1 -0.4 2.5 -4.3 88 88 A D G 34 S+ 0 0 25 -21,-1.1 -85,-1.8 1,-0.3 -1,-0.3 0.611 79.1 85.6 -68.6 -11.9 -2.2 2.9 -7.6 89 89 A D G <4 S- 0 0 90 -3,-1.1 -1,-0.3 -22,-0.3 -2,-0.2 0.722 125.1 -20.6 -62.9 -19.3 0.9 1.7 -9.3 90 90 A H T <4 S+ 0 0 40 -3,-1.5 11,-0.9 1,-0.2 -88,-0.6 0.372 105.6 107.7-154.8 -43.4 -0.3 -1.8 -8.8 91 91 A I E < +F 100 0D 0 -4,-1.9 -87,-1.9 9,-0.2 -86,-0.3 -0.323 50.9 175.2 -53.9 114.6 -2.9 -2.1 -6.0 92 92 A A E -F 99 0D 8 7,-2.7 7,-2.3 -89,-0.2 2,-0.5 -0.567 31.7-113.2-115.3-179.6 -6.1 -2.7 -7.8 93 93 A N E -F 98 0D 24 -91,-0.5 2,-0.5 5,-0.2 5,-0.2 -0.955 28.9-179.1-123.0 113.2 -9.7 -3.5 -6.9 94 94 A I E > S-F 97 0D 76 3,-3.0 3,-2.7 -2,-0.5 -72,-0.1 -0.952 75.0 -24.0-115.8 120.9 -11.2 -6.9 -7.8 95 95 A D T 3 S- 0 0 59 -2,-0.5 -71,-0.2 1,-0.3 -68,-0.2 0.788 128.5 -51.1 49.7 31.8 -14.8 -7.6 -6.9 96 96 A G T 3 S+ 0 0 0 -73,-0.4 -74,-0.5 1,-0.3 -64,-0.5 0.524 118.1 113.8 85.8 7.5 -14.5 -4.9 -4.2 97 97 A T E < S-F 94 0D 13 -3,-2.7 -3,-3.0 -74,-0.1 2,-0.7 -0.832 72.0-112.9-111.0 150.1 -11.3 -6.4 -2.7 98 98 A L E +F 93 0D 5 -2,-0.3 -5,-0.2 -5,-0.2 2,-0.2 -0.725 45.0 169.6 -86.0 116.4 -7.8 -4.9 -2.8 99 99 A K E -F 92 0D 93 -7,-2.3 -7,-2.7 -2,-0.7 2,-0.5 -0.700 33.4-111.8-119.1 172.4 -5.5 -6.9 -4.9 100 100 A Y E F 91 0D 71 -9,-0.3 -9,-0.2 -2,-0.2 -7,-0.0 -0.913 360.0 360.0-109.6 130.5 -1.9 -6.4 -6.3 101 101 A E 0 0 95 -11,-0.9 -2,-0.0 -2,-0.5 0, 0.0 -0.742 360.0 360.0-133.1 360.0 -1.4 -5.9 -10.1