==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=19-APR-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER IMMUNE SYSTEM 26-MAR-13 4JVP . COMPND 2 MOLECULE: ANTI-HCV E2 ALPACA NANOBODY D03; . SOURCE 2 ORGANISM_SCIENTIFIC: VICUGNA PACOS; . AUTHOR T.KREY,F.A.REY . 258 5 4 1 3 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13167.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 169 65.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 8 3.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 98 38.0 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 1.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), 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-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 . 19 7.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 30 11.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 6 2.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 0.8 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 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 PARALLEL BRIDGES PER LADDER . 0 1 3 0 1 7 3 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 . 0 0 2 0 1 1 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 E 0 0 199 0, 0.0 2,-0.3 0, 0.0 26,-0.1 0.000 360.0 360.0 360.0 137.4 -2.5 14.6 -20.5 2 2 A V + 0 0 45 24,-0.2 2,-0.3 22,-0.1 240,-0.2 -0.490 360.0 165.0 -65.4 118.6 -3.7 11.2 -19.0 3 3 A Q E -A 25 0A 85 22,-1.4 22,-2.4 -2,-0.3 2,-0.4 -0.973 31.1-161.4-138.5 150.2 -5.0 11.9 -15.5 4 4 A L E -A 24 0A 10 -2,-0.3 2,-0.6 20,-0.2 115,-0.4 -0.912 17.3-170.0-131.4 96.2 -7.1 10.0 -12.9 5 5 A Q E -A 23 0A 138 18,-3.0 18,-2.9 -2,-0.4 2,-0.2 -0.858 8.6-168.0 -98.5 121.4 -8.5 12.5 -10.3 6 6 A A E +A 22 0A 20 -2,-0.6 2,-0.3 16,-0.2 16,-0.2 -0.621 14.8 151.9-103.6 164.9 -10.1 10.8 -7.3 7 7 A S E +A 21 0A 62 14,-1.4 14,-2.6 -2,-0.2 114,-0.1 -0.948 31.5 79.9-176.7 166.7 -12.3 12.0 -4.3 8 8 A G + 0 0 34 -2,-0.3 11,-0.3 12,-0.2 113,-0.0 0.506 50.4 141.0 105.4 9.6 -15.0 11.1 -1.8 9 9 A G + 0 0 33 9,-0.1 2,-0.3 114,-0.1 114,-0.2 -0.136 16.9 120.4 -74.7 177.9 -13.4 9.1 1.0 10 10 A G E -d 123 0B 27 112,-1.5 114,-2.8 2,-0.0 2,-0.5 -0.969 58.5 -61.8 157.7-173.9 -14.3 9.4 4.7 11 11 A L E +d 124 0B 105 -2,-0.3 2,-0.3 112,-0.2 114,-0.2 -0.928 49.9 169.0-108.0 128.5 -15.5 7.7 7.9 12 12 A V E -d 125 0B 22 112,-2.8 114,-2.3 -2,-0.5 117,-0.3 -0.928 34.2-107.7-137.6 155.3 -18.9 6.2 7.9 13 13 A Q > - 0 0 103 -2,-0.3 3,-2.4 112,-0.2 73,-0.2 -0.531 51.0 -83.3 -78.3 154.2 -20.9 3.9 10.3 14 14 A P T 3 S+ 0 0 64 0, 0.0 73,-0.2 0, 0.0 -1,-0.1 -0.261 122.5 30.8 -55.4 140.2 -21.6 0.3 9.4 15 15 A G T 3 S+ 0 0 53 71,-3.4 70,-0.7 1,-0.3 72,-0.1 0.243 102.0 121.2 90.2 -9.1 -24.7 0.2 7.2 16 16 A G < - 0 0 18 -3,-2.4 70,-2.2 70,-0.2 2,-0.3 0.054 55.4-124.3 -77.5-176.1 -23.8 3.6 5.8 17 17 A S + 0 0 62 67,-0.2 2,-0.3 68,-0.2 67,-0.2 -0.977 23.1 171.5-134.8 148.7 -23.1 5.0 2.3 18 18 A L E - B 0 83A 33 65,-1.8 65,-3.2 -2,-0.3 2,-0.5 -0.978 19.6-143.7-151.6 151.2 -20.3 6.9 0.6 19 19 A R E - B 0 82A 130 -2,-0.3 2,-0.3 -11,-0.3 63,-0.2 -0.983 10.9-163.4-124.2 129.4 -19.6 7.7 -3.0 20 20 A L E - B 0 81A 2 61,-2.7 61,-2.5 -2,-0.5 2,-0.3 -0.793 8.8-159.3-103.3 149.7 -16.2 7.8 -4.6 21 21 A S E -AB 7 80A 18 -14,-2.6 -14,-1.4 -2,-0.3 2,-0.4 -0.955 11.4-170.7-129.6 154.1 -15.5 9.5 -7.9 22 22 A a E -AB 6 79A 0 57,-2.4 57,-3.0 -2,-0.3 2,-0.6 -0.957 8.3-158.8-143.4 119.0 -12.8 9.2 -10.5 23 23 A T E -AB 5 78A 40 -18,-2.9 -18,-3.0 -2,-0.4 2,-0.6 -0.920 9.5-159.6-103.0 118.4 -12.4 11.7 -13.3 24 24 A A E -A 4 0A 5 53,-2.5 2,-0.3 -2,-0.6 -20,-0.2 -0.901 12.6-175.0 -99.8 118.0 -10.4 10.2 -16.3 25 25 A S E +A 3 0A 36 -22,-2.4 -22,-1.4 -2,-0.6 3,-0.1 -0.803 58.0 20.4-114.2 154.9 -8.9 12.8 -18.6 26 26 A G S S+ 0 0 47 -2,-0.3 2,-0.6 1,-0.2 -24,-0.2 0.466 74.4 140.2 72.3 6.2 -7.0 12.4 -21.9 27 27 A F + 0 0 49 1,-0.2 -1,-0.2 -24,-0.1 -3,-0.0 -0.730 12.3 159.4 -83.7 114.7 -8.2 8.9 -22.7 28 28 A T + 0 0 144 -2,-0.6 2,-0.3 -3,-0.1 -1,-0.2 0.417 44.1 92.3-115.3 -4.8 -8.9 8.8 -26.5 29 29 A D > - 0 0 59 1,-0.1 3,-0.7 2,-0.0 24,-0.1 -0.735 69.4-142.4 -88.0 143.7 -8.8 5.1 -27.2 30 30 A D T 3 S+ 0 0 104 -2,-0.3 -1,-0.1 1,-0.2 24,-0.1 0.769 89.0 71.2 -72.6 -24.2 -12.3 3.4 -27.0 31 31 A Y T 3 + 0 0 124 22,-0.2 -1,-0.2 21,-0.1 68,-0.0 0.307 67.0 116.6 -84.9 13.1 -10.9 0.3 -25.4 32 32 A Y < - 0 0 31 -3,-0.7 21,-2.9 68,-0.2 22,-0.4 -0.217 47.9-151.3 -75.1 164.8 -9.9 1.4 -21.9 33 33 A A E -EF 52 99B 0 66,-2.3 66,-2.3 19,-0.3 2,-0.3 -0.960 12.2-168.1-130.4 148.0 -11.5 0.0 -18.7 34 34 A I E +EF 51 98B 3 17,-2.3 17,-2.8 -2,-0.3 2,-0.3 -0.976 26.5 104.9-138.8 148.7 -11.8 2.1 -15.5 35 35 A G E -EF 50 97B 0 62,-2.6 62,-2.7 -2,-0.3 2,-0.4 -0.952 52.4 -67.1 174.6-153.1 -12.6 1.2 -11.9 36 36 A W E -EF 49 96B 5 13,-1.8 12,-2.7 -2,-0.3 13,-1.8 -0.975 21.9-178.0-132.8 152.3 -11.4 0.6 -8.5 37 37 A F E -EF 47 95B 0 58,-1.8 58,-3.0 -2,-0.4 2,-0.3 -0.852 20.8-149.1-131.8 166.4 -9.2 -1.8 -6.4 38 38 A R E -EF 46 94B 6 8,-3.2 8,-2.5 -2,-0.3 2,-0.5 -0.943 14.7-147.4-138.5 162.8 -8.6 -1.5 -2.7 39 39 A Q E - F 0 93B 33 54,-2.3 54,-2.4 -2,-0.3 6,-0.1 -0.933 22.1-161.4-131.6 98.3 -6.0 -2.3 -0.1 40 40 A A > - 0 0 13 -2,-0.5 3,-2.5 4,-0.4 52,-0.2 -0.550 39.7 -82.0 -78.7 145.8 -7.6 -3.2 3.3 41 41 A P T 3 S+ 0 0 97 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 -0.301 115.3 0.8 -53.5 129.1 -5.4 -3.0 6.5 42 42 A G T 3 S+ 0 0 92 1,-0.2 2,-0.3 -3,-0.1 -2,-0.0 0.536 115.3 106.7 68.0 13.3 -3.3 -6.2 6.8 43 43 A K S < S- 0 0 149 -3,-2.5 -1,-0.2 3,-0.0 3,-0.1 -0.862 73.3-107.9-122.4 157.9 -4.7 -7.6 3.5 44 44 A E - 0 0 163 -2,-0.3 -4,-0.4 1,-0.1 66,-0.1 -0.381 56.5 -79.3 -72.7 156.9 -3.5 -8.1 -0.1 45 45 A R - 0 0 19 64,-0.3 2,-0.4 -6,-0.1 64,-0.2 -0.203 49.5-164.1 -55.3 148.9 -5.0 -5.8 -2.8 46 46 A E E -E 38 0B 69 -8,-2.5 -8,-3.2 64,-0.2 60,-0.1 -0.997 18.6-121.2-140.2 135.2 -8.5 -6.8 -4.0 47 47 A G E -E 37 0B 5 58,-0.4 -10,-0.3 60,-0.4 59,-0.1 -0.377 26.1-178.7 -71.3 148.7 -10.3 -5.6 -7.1 48 48 A V E - 0 0 0 -12,-2.7 13,-2.5 1,-0.4 2,-0.3 0.725 53.6 -22.7-113.3 -57.2 -13.6 -3.8 -6.5 49 49 A S E -EG 36 60B 0 -13,-1.8 -13,-1.8 11,-0.2 -1,-0.4 -0.986 47.0-164.4-158.0 162.4 -15.3 -2.9 -9.8 50 50 A b E -EG 35 59B 0 9,-2.2 9,-3.0 -2,-0.3 2,-0.4 -0.976 5.3-163.1-153.3 141.2 -14.6 -2.2 -13.5 51 51 A I E -EG 34 58B 6 -17,-2.8 -17,-2.3 -2,-0.3 2,-0.5 -0.987 19.8-139.8-126.0 129.1 -16.5 -0.6 -16.4 52 52 A T E > -E 33 0B 5 5,-2.3 4,-1.2 -2,-0.4 -19,-0.3 -0.831 7.3-143.4 -90.7 128.6 -15.3 -1.2 -19.9 53 53 A N T 4 S+ 0 0 45 -21,-2.9 2,-0.3 -2,-0.5 -22,-0.2 0.875 89.8 73.4 -58.4 -37.9 -15.5 2.0 -22.1 54 54 A F T >4 S- 0 0 74 -22,-0.4 3,-0.7 1,-0.2 2,-0.3 -0.641 123.0 -7.2 -75.7 126.5 -16.5 -0.3 -25.0 55 55 A D T 34 S- 0 0 130 -2,-0.3 -1,-0.2 1,-0.2 -2,-0.1 0.095 97.6-109.2 71.7 -18.8 -20.2 -1.3 -24.4 56 56 A G T 3< + 0 0 16 -4,-1.2 -1,-0.2 -2,-0.3 -3,-0.1 0.650 57.7 171.6 69.8 18.0 -20.3 0.2 -20.9 57 57 A G < - 0 0 19 -3,-0.7 -5,-2.3 -5,-0.2 2,-0.4 -0.334 21.4-143.6 -61.2 136.6 -20.3 -3.3 -19.3 58 58 A T E -G 51 0B 56 -7,-0.2 2,-0.4 -2,-0.0 -7,-0.2 -0.919 14.9-170.9-114.2 134.0 -19.9 -3.4 -15.5 59 59 A Y E -G 50 0B 115 -9,-3.0 -9,-2.2 -2,-0.4 2,-0.4 -0.946 3.2-169.6-126.2 138.3 -18.0 -6.0 -13.4 60 60 A Y E -G 49 0B 63 -2,-0.4 -11,-0.2 -11,-0.2 5,-0.1 -0.988 27.7-113.1-130.3 145.7 -17.9 -6.4 -9.6 61 61 A A >> - 0 0 18 -13,-2.5 3,-1.9 -2,-0.4 4,-1.2 -0.386 36.6-116.1 -66.1 147.2 -15.8 -8.4 -7.2 62 62 A D T 34 S+ 0 0 129 1,-0.3 3,-0.3 2,-0.2 4,-0.3 0.843 113.0 63.5 -55.4 -35.2 -18.0 -11.1 -5.5 63 63 A S T 34 S+ 0 0 36 1,-0.2 -1,-0.3 2,-0.1 -15,-0.0 0.598 118.2 24.3 -65.1 -16.1 -17.4 -9.4 -2.0 64 64 A V T X> S+ 0 0 0 -3,-1.9 4,-2.6 -16,-0.2 3,-1.7 0.439 86.2 112.6-128.4 -2.6 -19.2 -6.2 -3.2 65 65 A K T 3< S+ 0 0 122 -4,-1.2 -2,-0.1 -3,-0.3 -3,-0.1 0.720 85.9 34.4 -48.9 -38.1 -21.6 -7.2 -6.1 66 66 A S T 34 S+ 0 0 114 -4,-0.3 -1,-0.3 1,-0.1 3,-0.1 0.447 124.0 42.8 -99.0 -3.0 -25.0 -6.6 -4.4 67 67 A R T <4 S+ 0 0 28 -3,-1.7 17,-1.1 1,-0.1 2,-0.4 0.649 102.5 63.1-112.9 -28.6 -23.9 -3.6 -2.3 68 68 A F E < -C 83 0A 2 -4,-2.6 2,-0.4 15,-0.2 15,-0.2 -0.865 57.3-166.8-107.6 147.4 -21.8 -1.4 -4.6 69 69 A T E -C 82 0A 78 13,-2.5 13,-3.3 -2,-0.4 2,-0.3 -0.993 5.2-157.1-133.1 132.3 -22.9 0.3 -7.8 70 70 A M E +C 81 0A 9 -2,-0.4 2,-0.3 11,-0.2 11,-0.2 -0.824 19.6 165.9-103.9 144.7 -20.7 1.9 -10.5 71 71 A S E -C 80 0A 49 9,-2.0 9,-3.1 -2,-0.3 2,-0.3 -0.914 21.8-134.5-148.7 167.8 -22.0 4.6 -12.9 72 72 A R E -C 79 0A 117 -2,-0.3 2,-0.5 7,-0.2 7,-0.2 -0.967 4.0-151.6-129.8 151.1 -20.6 7.2 -15.3 73 73 A D E C 78 0A 73 5,-3.0 5,-2.2 -2,-0.3 4,-0.2 -0.974 360.0 360.0-120.4 111.2 -21.1 10.8 -16.1 74 74 A N 0 0 170 -2,-0.5 3,-1.5 2,-0.2 -1,-0.1 0.922 360.0 360.0 -65.1 360.0 -20.2 11.5 -19.8 75 ! 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 76 76 A K 0 0 184 0, 0.0 -2,-0.2 0, 0.0 3,-0.1 0.000 360.0 360.0 360.0 110.0 -17.8 15.1 -17.3 77 77 A N + 0 0 98 -3,-1.5 -53,-2.5 -4,-0.2 2,-0.4 0.802 360.0 136.1 51.5 40.4 -15.4 12.1 -17.9 78 78 A T E -BC 23 73A 11 -5,-2.2 -5,-3.0 -55,-0.3 2,-0.3 -0.914 42.2-161.2-121.0 143.5 -16.2 10.7 -14.4 79 79 A V E -BC 22 72A 7 -57,-3.0 -57,-2.4 -2,-0.4 2,-0.4 -0.907 14.9-153.3-117.4 146.7 -17.0 7.3 -13.0 80 80 A Y E -BC 21 71A 44 -9,-3.1 -9,-2.0 -2,-0.3 2,-0.6 -0.963 11.9-157.3-125.6 141.8 -18.7 6.9 -9.6 81 81 A L E -BC 20 70A 0 -61,-2.5 -61,-2.7 -2,-0.4 2,-0.7 -0.973 13.3-162.8-116.7 107.3 -18.6 4.1 -7.1 82 82 A Q E -BC 19 69A 57 -13,-3.3 -13,-2.5 -2,-0.6 2,-0.5 -0.854 8.3-162.9 -90.8 116.2 -21.7 4.3 -4.8 83 83 A M E +BC 18 68A 0 -65,-3.2 -65,-1.8 -2,-0.7 2,-0.3 -0.910 14.2 171.6-106.2 128.0 -21.0 2.2 -1.8 84 84 A N + 0 0 55 -17,-1.1 -67,-0.2 -2,-0.5 -68,-0.2 -0.868 56.9 26.7-131.0 165.8 -24.0 1.1 0.3 85 85 A S S S- 0 0 72 -70,-0.7 -1,-0.2 -2,-0.3 -69,-0.2 0.909 86.2-158.0 47.3 46.2 -24.7 -1.2 3.3 86 86 A L - 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