==== 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 2EZM . 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) . 6029.0 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 . 13 12.9 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 0 139 0, 0.0 90,-0.2 0, 0.0 89,-0.1 0.000 360.0 360.0 360.0 136.8 83.3 10.8 -4.5 2 2 A G + 0 0 14 88,-0.3 91,-0.3 1,-0.1 90,-0.2 -0.381 360.0 142.5 65.4-142.6 80.1 9.9 -2.7 3 3 A K > + 0 0 106 88,-0.3 3,-3.5 84,-0.2 4,-0.4 0.664 16.3 157.4 78.7 18.7 79.6 11.5 0.8 4 4 A F G > + 0 0 3 87,-1.6 3,-1.1 1,-0.3 4,-0.4 0.742 62.5 75.9 -47.0 -20.6 75.8 11.9 0.1 5 5 A S G 3 S+ 0 0 39 1,-0.2 -1,-0.3 2,-0.2 3,-0.2 0.704 79.0 71.0 -70.1 -13.3 75.5 11.9 3.9 6 6 A Q G < S+ 0 0 146 -3,-3.5 -1,-0.2 1,-0.2 -2,-0.2 0.824 116.7 19.7 -71.7 -27.6 76.9 15.5 3.9 7 7 A T S < S+ 0 0 69 -3,-1.1 16,-1.8 -4,-0.4 2,-0.3 0.170 116.7 74.4-126.7 19.3 73.6 16.8 2.4 8 8 A a E +A 22 0A 13 -4,-0.4 2,-0.3 14,-0.2 14,-0.2 -0.937 53.3 177.8-130.1 153.7 71.1 13.9 3.2 9 9 A Y E +A 21 0A 103 12,-1.9 12,-1.4 -2,-0.3 3,-0.1 -0.920 56.5 42.7-147.4 172.1 69.5 12.9 6.5 10 10 A N E S- 0 0 132 -2,-0.3 -1,-0.1 1,-0.2 2,-0.1 0.880 74.8-179.4 56.2 35.7 67.0 10.4 8.0 11 11 A S E - 0 0 25 9,-0.1 2,-0.3 -3,-0.1 9,-0.2 -0.385 2.6-179.8 -67.7 144.4 68.7 7.7 5.9 12 12 A A E -A 19 0A 51 7,-2.5 7,-2.5 -3,-0.1 2,-0.4 -0.986 16.7-153.8-144.9 154.4 67.3 4.2 6.3 13 13 A I E +A 18 0A 24 -2,-0.3 2,-0.4 5,-0.2 50,-0.3 -0.993 10.3 178.0-134.2 134.4 68.0 0.7 4.8 14 14 A Q E > -A 17 0A 165 3,-1.8 3,-2.0 -2,-0.4 2,-0.5 -0.945 69.3 -41.8-135.8 111.9 65.6 -2.2 4.4 15 15 A G T 3 S- 0 0 35 46,-0.5 44,-0.0 -2,-0.4 0, 0.0 -0.551 123.5 -29.0 70.0-118.2 66.9 -5.3 2.8 16 16 A S T 3 S+ 0 0 22 -2,-0.5 20,-1.8 -3,-0.1 2,-0.6 0.320 114.0 105.6-111.6 4.2 69.1 -4.1 -0.1 17 17 A V E < -AB 14 35A 58 -3,-2.0 -3,-1.8 18,-0.2 2,-0.5 -0.761 55.5-155.5 -92.8 123.5 67.1 -0.8 -0.8 18 18 A L E -AB 13 34A 0 16,-1.7 16,-1.4 -2,-0.6 2,-0.4 -0.802 15.5-177.9 -94.2 128.4 68.7 2.5 0.4 19 19 A T E +AB 12 33A 52 -7,-2.5 -7,-2.5 -2,-0.5 2,-0.3 -0.987 11.8 150.3-128.3 130.6 66.2 5.2 1.1 20 20 A S E - B 0 32A 3 12,-1.6 12,-1.5 -2,-0.4 2,-0.6 -1.000 43.6-117.3-157.3 157.2 67.0 8.8 2.1 21 21 A T E -AB 9 31A 27 -12,-1.4 -12,-1.9 -2,-0.3 2,-0.3 -0.850 37.9-175.7 -98.2 122.7 65.9 12.4 1.9 22 22 A a E -AB 8 30A 0 8,-3.1 8,-3.5 -2,-0.6 2,-0.3 -0.870 25.4-112.3-120.1 154.0 68.4 14.7 0.1 23 23 A E E - B 0 29A 82 -16,-1.8 73,-0.4 -2,-0.3 6,-0.2 -0.614 30.4-125.6 -84.9 141.6 68.6 18.4 -0.5 24 24 A R > - 0 0 122 4,-2.7 3,-1.7 -2,-0.3 72,-0.1 -0.459 18.5-118.8 -81.1 154.8 68.2 19.7 -4.1 25 25 A T T 3 S+ 0 0 114 1,-0.3 -1,-0.1 -2,-0.1 3,-0.1 0.896 117.7 49.7 -60.0 -40.0 70.8 22.0 -5.7 26 26 A N T 3 S- 0 0 161 1,-0.3 -1,-0.3 69,-0.1 -2,-0.1 0.092 126.9 -97.1 -88.3 26.5 68.1 24.7 -6.0 27 27 A G S < S+ 0 0 35 -3,-1.7 -1,-0.3 1,-0.2 2,-0.1 0.127 84.1 93.0 73.8 156.0 67.0 24.3 -2.4 28 28 A G S S- 0 0 43 -3,-0.1 -4,-2.7 -4,-0.1 2,-0.4 -0.216 73.8 -92.2 104.5 161.6 64.0 22.1 -1.4 29 29 A Y E -B 23 0A 134 -6,-0.2 2,-0.3 -2,-0.1 -6,-0.2 -0.895 32.1-165.3-116.6 145.9 64.2 18.4 -0.3 30 30 A N E -B 22 0A 35 -8,-3.5 -8,-3.1 -2,-0.4 2,-0.4 -0.943 7.2-150.8-126.7 146.9 63.8 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 27.7 152.7-119.9 130.1 63.3 11.6 -1.5 32 32 A S E -B 20 0A 26 -12,-1.5 -12,-1.6 -2,-0.4 2,-0.3 -0.966 27.0-146.4-151.3 167.5 64.5 8.7 -3.6 33 33 A S E -B 19 0A 70 -2,-0.3 2,-0.3 -14,-0.2 -14,-0.2 -0.985 9.5-172.5-138.5 148.9 65.6 5.0 -3.4 34 34 A I E -B 18 0A 51 -16,-1.4 -16,-1.7 -2,-0.3 2,-0.7 -1.000 28.5-118.8-142.8 140.3 68.2 2.9 -5.3 35 35 A D E > -B 17 0A 77 -2,-0.3 3,-0.7 -18,-0.2 -18,-0.2 -0.674 18.3-168.2 -81.5 116.5 68.9 -0.8 -5.3 36 36 A L G >> S+ 0 0 3 -20,-1.8 3,-1.9 -2,-0.7 4,-1.3 0.533 72.0 91.1 -79.9 -2.9 72.5 -1.3 -4.1 37 37 A N G 34 S+ 0 0 30 -21,-0.3 15,-0.9 1,-0.3 16,-0.8 0.901 79.1 58.3 -59.6 -38.5 72.2 -5.0 -5.2 38 38 A S G <4 S+ 0 0 73 -3,-0.7 -1,-0.3 1,-0.2 -2,-0.1 0.428 116.3 34.2 -72.5 3.8 73.5 -4.0 -8.7 39 39 A V T <4 S+ 0 0 22 -3,-1.9 11,-0.6 11,-0.2 2,-0.4 0.466 101.3 78.2-135.9 -5.0 76.8 -2.7 -7.2 40 40 A I E < -C 49 0B 0 -4,-1.3 14,-1.0 -3,-0.4 12,-0.5 -0.913 51.1-178.7-114.1 133.4 77.7 -4.8 -4.1 41 41 A E E -C 48 0B 43 7,-2.9 7,-3.5 -2,-0.4 2,-0.6 -0.894 26.7-125.4-122.3 155.8 79.3 -8.4 -4.2 42 42 A N E -C 47 0B 27 -2,-0.3 2,-0.7 5,-0.2 5,-0.2 -0.880 23.8-168.1-102.1 117.9 80.2 -10.8 -1.4 43 43 A V E > -C 46 0B 62 3,-3.8 3,-1.3 -2,-0.6 32,-0.0 -0.810 67.1 -49.3-111.7 98.3 83.9 -11.9 -1.6 44 44 A D T 3 S- 0 0 81 -2,-0.7 31,-0.2 1,-0.3 -1,-0.1 0.848 128.8 -25.3 48.6 39.7 84.7 -14.8 0.7 45 45 A G T 3 S+ 0 0 8 29,-0.5 2,-0.4 1,-0.2 -1,-0.3 0.255 122.3 89.2 115.1 -16.8 83.0 -13.1 3.6 46 46 A S E < S-C 43 0B 53 -3,-1.3 -3,-3.8 37,-0.1 2,-0.4 -0.934 71.4-122.9-121.6 143.6 83.2 -9.3 2.8 47 47 A L E -C 42 0B 5 -2,-0.4 2,-0.3 -5,-0.2 -5,-0.2 -0.618 35.5-176.3 -79.6 130.0 81.0 -7.0 0.8 48 48 A K E -C 41 0B 113 -7,-3.5 -7,-2.9 -2,-0.4 2,-1.9 -0.858 39.2 -95.0-125.5 161.6 82.8 -5.3 -2.2 49 49 A W E S+C 40 0B 53 -2,-0.3 -9,-0.3 -9,-0.2 -7,-0.0 -0.485 87.4 95.4 -76.4 80.9 81.8 -2.7 -4.8 50 50 A Q S S- 0 0 105 -2,-1.9 -11,-0.2 -11,-0.6 -2,-0.2 -0.928 77.6-100.4-165.7 139.3 80.7 -5.0 -7.6 51 51 A P + 0 0 82 0, 0.0 -13,-0.2 0, 0.0 -10,-0.2 -0.338 63.9 120.8 -64.3 144.3 77.3 -6.6 -8.8 52 52 A S S S- 0 0 70 -15,-0.9 -10,-0.1 -12,-0.5 -14,-0.1 0.285 83.5 -95.1 174.4 12.4 76.6 -10.2 -7.8 53 53 A N > - 0 0 62 -16,-0.8 3,-1.2 -13,-0.2 4,-0.5 0.991 50.1-178.7 58.5 59.7 73.3 -10.2 -5.8 54 54 A F G > S+ 0 0 2 -14,-1.0 3,-2.1 -17,-0.4 4,-0.4 0.895 74.8 65.0 -60.0 -40.0 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 0.788 88.0 71.5 -57.8 -21.4 71.8 -10.1 -0.5 56 56 A E G < S+ 0 0 143 -3,-1.2 -1,-0.3 1,-0.2 -2,-0.2 0.861 113.5 25.2 -63.4 -31.4 71.3 -13.6 -1.9 57 57 A T G < S+ 0 0 57 -3,-2.1 17,-2.0 -4,-0.5 2,-0.3 0.169 118.6 70.0-117.6 18.3 74.1 -14.8 0.5 58 58 A b E < -D 73 0C 9 -3,-0.7 2,-0.3 -4,-0.4 15,-0.2 -0.935 55.6-177.4-134.0 155.6 73.8 -12.1 3.2 59 59 A R E +D 72 0C 122 13,-2.0 13,-1.7 -2,-0.3 -3,-0.0 -0.863 56.0 43.2-141.3 178.5 71.1 -11.3 5.9 60 60 A N E - 0 0 91 -2,-0.3 2,-0.3 1,-0.2 -1,-0.2 0.911 66.8-175.7 47.9 49.9 70.3 -8.8 8.6 61 61 A T E + 0 0 17 10,-0.1 -46,-0.5 -3,-0.1 2,-0.3 -0.584 13.3 161.4 -75.3 132.2 71.3 -5.8 6.5 62 62 A Q E -D 70 0C 122 8,-2.1 8,-1.7 -2,-0.3 2,-0.5 -0.978 43.9 -97.6-149.2 162.6 71.0 -2.6 8.6 63 63 A L E -D 69 0C 56 -2,-0.3 2,-0.4 -50,-0.3 6,-0.2 -0.706 38.3-170.0 -85.7 127.5 72.2 1.0 8.7 64 64 A A E > -D 68 0C 30 4,-3.0 4,-1.4 -2,-0.5 3,-0.2 -0.962 51.6 -28.9-119.8 130.0 75.3 1.5 11.0 65 65 A G T 4 S- 0 0 68 -2,-0.4 -2,-0.0 1,-0.2 0, 0.0 -0.319 105.9 -48.8 66.3-150.4 76.6 5.0 11.9 66 66 A S T 4 S+ 0 0 96 1,-0.0 -1,-0.2 3,-0.0 -55,-0.1 0.838 133.6 1.1 -89.9 -39.3 76.0 7.8 9.5 67 67 A S T 4 S+ 0 0 14 -3,-0.2 20,-2.1 -4,-0.0 21,-0.4 0.287 102.5 105.8-133.6 9.1 77.2 6.2 6.2 68 68 A E E < -DE 64 86C 87 -4,-1.4 -4,-3.0 18,-0.2 2,-0.6 -0.779 51.6-152.5 -99.2 140.1 78.3 2.6 7.1 69 69 A L E -DE 63 85C 2 16,-2.0 16,-1.4 -2,-0.4 2,-0.4 -0.920 12.2-163.8-109.5 120.1 76.2 -0.5 6.2 70 70 A A E +DE 62 84C 34 -8,-1.7 -8,-2.1 -2,-0.6 2,-0.3 -0.842 21.0 148.2-105.6 140.5 76.6 -3.5 8.5 71 71 A A E - E 0 83C 4 12,-2.4 12,-2.8 -2,-0.4 2,-0.4 -0.955 43.1-113.2-155.9 175.0 75.5 -7.0 7.5 72 72 A E E -DE 59 82C 60 -13,-1.7 -13,-2.0 -2,-0.3 2,-0.3 -0.962 35.0-174.3-118.1 132.6 76.3 -10.7 8.0 73 73 A b E -DE 58 81C 0 8,-1.7 8,-1.7 -2,-0.4 2,-0.3 -0.962 27.5-107.6-132.7 148.3 77.6 -12.7 4.9 74 74 A K E - E 0 80C 68 -17,-2.0 -29,-0.5 -2,-0.3 6,-0.2 -0.522 30.3-150.4 -73.5 133.3 78.4 -16.4 4.3 75 75 A T > - 0 0 24 4,-1.9 3,-2.5 -2,-0.3 4,-0.2 -0.408 39.8 -91.2 -91.6 173.2 82.1 -17.2 3.9 76 76 A R T 3 S+ 0 0 200 1,-0.3 -1,-0.1 2,-0.1 -2,-0.1 0.794 128.5 63.6 -58.6 -22.4 83.3 -20.1 1.7 77 77 A A T 3 S- 0 0 71 2,-0.1 -1,-0.3 -33,-0.1 3,-0.1 0.379 118.1-112.8 -83.8 10.1 83.1 -22.2 4.9 78 78 A Q S < S+ 0 0 128 -3,-2.5 2,-0.4 1,-0.2 -2,-0.1 0.853 75.6 130.5 65.1 35.5 79.2 -21.6 5.0 79 79 A Q - 0 0 132 -4,-0.2 -4,-1.9 -6,-0.1 2,-0.5 -0.940 58.8-126.0-120.1 141.3 79.5 -19.5 8.2 80 80 A F E +E 74 0C 75 -2,-0.4 2,-0.3 -6,-0.2 -6,-0.2 -0.735 35.9 174.2 -87.1 124.4 77.9 -16.1 8.8 81 81 A V E -E 73 0C 59 -8,-1.7 -8,-1.7 -2,-0.5 2,-0.3 -0.850 39.6 -88.5-125.7 161.6 80.5 -13.5 10.0 82 82 A S E +E 72 0C 109 -2,-0.3 2,-0.3 -10,-0.2 -10,-0.2 -0.524 51.5 171.9 -72.1 130.1 80.2 -9.7 10.6 83 83 A T E +E 71 0C 7 -12,-2.8 -12,-2.4 -2,-0.3 2,-0.3 -0.940 7.4 179.3-135.2 157.5 81.0 -7.6 7.4 84 84 A K E -E 70 0C 138 -2,-0.3 2,-0.3 -14,-0.2 -14,-0.2 -0.991 8.9-165.2-155.7 160.3 80.7 -3.9 6.6 85 85 A I E -E 69 0C 16 -16,-1.4 -16,-2.0 -2,-0.3 2,-0.8 -0.997 28.6-113.8-148.8 148.1 81.2 -1.4 3.7 86 86 A N E > -E 68 0C 59 -2,-0.3 3,-1.4 -18,-0.2 4,-0.3 -0.743 18.4-165.4 -87.7 112.8 81.5 2.4 3.5 87 87 A L G >> S+ 0 0 0 -20,-2.1 4,-1.8 -2,-0.8 3,-0.8 0.746 83.4 73.6 -67.6 -21.5 78.5 3.8 1.4 88 88 A D G 34 S+ 0 0 29 -21,-0.4 -1,-0.3 1,-0.2 -20,-0.1 0.667 77.1 79.6 -68.3 -13.7 80.4 7.1 1.1 89 89 A D G <4 S- 0 0 68 -3,-1.4 -1,-0.2 -87,-0.2 -2,-0.1 0.878 121.4 -9.7 -62.9 -39.9 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,-0.9 0.477 105.4 101.0-138.7 -9.9 80.5 5.8 -4.5 91 91 A I E < +F 100 0D 0 -4,-1.8 -87,-1.6 9,-0.2 -88,-0.3 -0.700 50.5 167.1 -84.7 110.2 77.0 6.8 -3.3 92 92 A A E -F 99 0D 6 7,-1.3 7,-1.7 -2,-0.9 2,-0.6 -0.756 37.3-121.8-118.8 168.6 76.6 10.5 -4.0 93 93 A N E -F 98 0D 30 -91,-0.3 2,-0.7 -2,-0.2 5,-0.2 -0.919 27.2-178.0-111.4 111.0 73.7 13.0 -4.1 94 94 A I E > S-F 97 0D 83 3,-2.9 3,-1.0 -2,-0.6 -70,-0.1 -0.893 75.5 -24.2-113.5 107.0 73.3 14.7 -7.5 95 95 A D T 3 S- 0 0 92 -2,-0.7 -1,-0.2 1,-0.2 -71,-0.2 0.830 125.1 -51.2 65.7 33.2 70.5 17.3 -7.5 96 96 A G T 3 S+ 0 0 0 -73,-0.4 2,-0.4 1,-0.3 -74,-0.4 0.511 121.3 104.1 84.6 1.2 68.6 15.6 -4.6 97 97 A T E < S-F 94 0D 50 -3,-1.0 -3,-2.9 -74,-0.1 2,-0.3 -0.940 71.1-126.0-118.7 137.4 68.8 12.2 -6.4 98 98 A L E +F 93 0D 7 -2,-0.4 2,-0.3 -5,-0.2 -5,-0.2 -0.621 33.8 169.9 -82.3 138.6 71.2 9.4 -5.4 99 99 A K E -F 92 0D 115 -7,-1.7 -7,-1.3 -2,-0.3 2,-0.1 -0.969 33.4-121.5-149.3 130.3 73.4 8.0 -8.2 100 100 A Y E F 91 0D 94 -2,-0.3 -9,-0.2 -9,-0.2 -10,-0.0 -0.466 360.0 360.0 -70.0 139.8 76.4 5.5 -8.0 101 101 A E 0 0 98 -11,-1.6 -1,-0.2 -2,-0.1 -10,-0.1 0.502 360.0 360.0-145.9 360.0 79.6 7.0 -9.5