==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=5-JUL-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER VIRAL PROTEIN 22-AUG-12 4GQ9 . COMPND 2 MOLECULE: CHIKUNGUNYA VIRUS NEUTRALIZING ANTIBODY 9.8B FAB . SOURCE 2 ORGANISM_SCIENTIFIC: MUS MUSCULUS; . AUTHOR S SUN,M.G.ROSSMANN . 430 2 4 4 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 20591.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 289 67.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 10 2.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 173 40.2 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 5 1.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 0.9 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 . 2 0.5 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 . 59 13.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 23 5.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 15 3.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 1.2 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 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 RESIDUES PER ALPHA HELIX . 0 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 PARALLEL BRIDGES PER LADDER . 6 2 6 2 3 4 6 0 1 1 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 5 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 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 L Q 0 0 165 0, 0.0 2,-0.2 0, 0.0 94,-0.1 0.000 360.0 360.0 360.0 -11.2 -5.7 -1.6 50.8 2 2 L I - 0 0 8 92,-0.6 2,-0.5 88,-0.1 87,-0.1 -0.462 360.0-135.3 -69.9 136.3 -7.9 -4.7 50.4 3 3 L V - 0 0 96 -2,-0.2 2,-0.6 93,-0.0 23,-0.5 -0.857 16.6-156.4 -96.3 123.4 -8.9 -5.7 46.9 4 4 L L E -A 25 0A 9 -2,-0.5 2,-0.6 93,-0.5 95,-0.3 -0.892 5.4-165.8-104.8 120.4 -12.6 -6.6 46.5 5 5 L T E -A 24 0A 80 19,-2.6 19,-2.6 -2,-0.6 2,-0.4 -0.926 5.8-155.8-107.8 120.8 -13.7 -8.9 43.6 6 6 L Q E -A 23 0A 15 -2,-0.6 17,-0.2 17,-0.2 -2,-0.0 -0.806 22.5-123.0 -93.9 133.9 -17.4 -9.1 42.8 7 7 L S E S+A 22 0A 54 15,-2.5 15,-1.6 -2,-0.4 2,-0.1 -0.995 79.9 20.2-136.0 135.3 -18.5 -12.3 41.0 8 8 L P - 0 0 65 0, 0.0 3,-0.1 0, 0.0 14,-0.1 0.669 67.0-152.7 -81.1 174.8 -19.9 -12.7 38.4 9 9 L A S S+ 0 0 66 1,-0.2 93,-2.7 92,-0.2 2,-0.5 0.889 85.3 32.6 -75.6 -43.1 -19.3 -9.4 36.4 10 10 L I E S-d 102 0B 113 91,-0.2 2,-0.4 93,-0.0 -1,-0.2 -0.975 75.4-161.7-121.2 120.3 -22.5 -9.6 34.3 11 11 L M E -d 103 0B 28 91,-3.3 93,-2.9 -2,-0.5 2,-0.5 -0.819 5.0-166.7-103.5 138.2 -25.6 -11.2 35.8 12 12 L S E +d 104 0B 79 -2,-0.4 2,-0.4 91,-0.2 93,-0.2 -0.946 20.8 159.0-126.8 109.8 -28.6 -12.4 33.7 13 13 L A E -d 105 0B 17 91,-1.4 93,-1.8 -2,-0.5 6,-0.1 -0.989 33.5-130.3-136.7 140.8 -31.8 -13.1 35.7 14 14 L S > - 0 0 47 -2,-0.4 3,-0.6 91,-0.2 63,-0.3 -0.611 42.8 -90.4 -86.3 146.7 -35.5 -13.4 34.8 15 15 L P T 3 S+ 0 0 76 0, 0.0 63,-0.2 0, 0.0 -1,-0.1 -0.360 108.0 30.5 -61.1 125.9 -38.2 -11.6 36.8 16 16 L G T 3 S+ 0 0 54 61,-1.3 2,-0.3 1,-0.3 62,-0.1 0.741 95.3 102.2 99.0 30.4 -39.6 -13.5 39.8 17 17 L E S < S- 0 0 128 -3,-0.6 60,-1.0 57,-0.0 -1,-0.3 -0.980 76.6 -86.2-142.8 155.1 -36.6 -15.7 40.8 18 18 L K - 0 0 142 -2,-0.3 2,-0.5 58,-0.2 57,-0.2 -0.319 38.5-161.6 -62.4 133.5 -33.9 -15.8 43.5 19 19 L V E - B 0 74A 4 55,-3.2 55,-3.3 -2,-0.1 2,-0.6 -0.975 5.8-170.7-123.9 118.6 -30.8 -13.7 42.7 20 20 L T E - B 0 73A 84 -2,-0.5 2,-0.4 53,-0.2 53,-0.2 -0.940 4.9-178.5-113.1 115.6 -27.5 -14.3 44.6 21 21 L M E - B 0 72A 0 51,-3.3 51,-3.1 -2,-0.6 2,-0.4 -0.917 10.7-157.6-111.9 140.1 -24.6 -11.9 44.1 22 22 L T E -AB 7 71A 43 -15,-1.6 -15,-2.5 -2,-0.4 2,-0.4 -0.930 12.7-167.4-125.1 141.0 -21.3 -12.4 45.8 23 23 L a E -AB 6 70A 2 47,-2.8 47,-2.6 -2,-0.4 2,-0.4 -0.980 11.5-158.6-120.8 139.9 -18.3 -10.2 46.8 24 24 L S E -AB 5 69A 41 -19,-2.6 -19,-2.6 -2,-0.4 2,-0.2 -0.970 4.2-152.2-123.7 132.2 -14.9 -11.6 47.9 25 25 L A E -A 4 0A 14 43,-2.8 -21,-0.2 -2,-0.4 4,-0.1 -0.658 20.8-128.9-101.5 155.5 -12.3 -9.8 50.0 26 26 L S E S- 0 0 76 -23,-0.5 2,-0.2 -2,-0.2 -1,-0.1 0.923 90.0 -1.7 -65.2 -48.0 -8.5 -10.3 50.1 27 27 L S E S- 0 0 61 1,-0.1 -1,-0.1 40,-0.1 -2,-0.0 -0.756 105.7 -42.0-134.6-178.1 -8.4 -10.6 53.9 28 28 L S E - 0 0 93 -2,-0.2 2,-0.4 -3,-0.1 40,-0.2 -0.144 53.0-171.5 -51.5 134.4 -10.7 -10.6 56.9 29 29 L V E - B 0 67A 5 38,-1.2 38,-0.7 1,-0.1 3,-0.1 -0.987 17.8-158.1-131.8 141.1 -13.4 -7.8 56.9 30 30 L T S S+ 0 0 77 -2,-0.4 2,-0.3 1,-0.3 37,-0.1 0.929 75.3 15.7 -84.6 -52.0 -15.8 -6.9 59.8 31 31 L Y - 0 0 124 35,-0.1 59,-0.6 19,-0.1 2,-0.3 -0.961 64.6-152.3-130.1 146.5 -18.6 -5.1 58.0 32 32 L M E -E 89 0B 2 -2,-0.3 18,-3.3 57,-0.1 2,-0.4 -0.861 4.6-161.7-118.1 151.8 -19.8 -4.9 54.4 33 33 L Y E -E 88 0B 14 55,-1.9 55,-0.7 -2,-0.3 2,-0.3 -0.993 4.1-157.2-135.5 139.8 -21.7 -2.3 52.4 34 34 L W E -EF 87 47B 1 13,-1.7 12,-2.4 -2,-0.4 13,-0.7 -0.902 4.2-163.3-121.9 147.1 -23.7 -2.5 49.1 35 35 L Y E -EF 86 45B 0 51,-1.5 51,-2.3 -2,-0.3 2,-0.4 -0.991 6.9-151.3-136.1 133.2 -24.6 0.2 46.6 36 36 L Q E -EF 85 44B 5 8,-2.5 8,-2.2 -2,-0.4 2,-0.4 -0.873 11.8-176.9-105.2 132.2 -27.2 0.3 43.7 37 37 L Q E -E 84 0B 22 47,-2.3 47,-2.2 -2,-0.4 5,-0.1 -0.921 7.9-161.8-132.1 109.1 -26.7 2.4 40.6 38 38 L K > - 0 0 74 -2,-0.4 3,-1.3 4,-0.4 45,-0.1 -0.607 43.9 -82.5 -82.6 146.9 -29.4 2.6 37.9 39 39 L P T 3 S+ 0 0 88 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 -0.252 114.7 10.2 -55.2 127.7 -28.3 3.9 34.5 40 40 L G T 3 S+ 0 0 91 1,-0.2 2,-0.3 -3,-0.1 -2,-0.0 0.764 114.0 94.1 74.3 28.9 -28.2 7.7 34.3 41 41 L S S < S- 0 0 49 -3,-1.3 -1,-0.2 0, 0.0 282,-0.0 -0.988 79.5 -93.6-149.1 156.1 -28.7 8.2 38.1 42 42 L S - 0 0 39 -2,-0.3 -4,-0.4 279,-0.1 281,-0.1 -0.382 47.8-107.2 -67.0 143.5 -26.7 8.7 41.3 43 43 L P - 0 0 4 0, 0.0 278,-0.4 0, 0.0 2,-0.3 -0.265 35.3-158.4 -66.8 158.5 -25.8 5.6 43.3 44 44 L R E -F 36 0B 88 -8,-2.2 -8,-2.5 276,-0.1 2,-0.3 -0.984 21.4-102.6-141.1 153.8 -27.6 4.8 46.6 45 45 L L E +F 35 0B 10 274,-1.1 -10,-0.2 -2,-0.3 3,-0.1 -0.594 37.4 166.3 -76.5 130.3 -26.9 2.8 49.8 46 46 L L E + 0 0 0 -12,-2.4 8,-2.5 1,-0.3 2,-0.4 0.820 62.6 18.9-104.5 -61.8 -28.8 -0.5 50.0 47 47 L I E -FG 34 53B 0 -13,-0.7 -13,-1.7 6,-0.2 2,-0.4 -0.918 63.4-167.3-118.2 140.6 -27.3 -2.6 52.8 48 48 L Y E > + G 0 52B 70 4,-2.7 4,-0.9 -2,-0.4 3,-0.4 -0.979 69.0 9.3-134.0 145.8 -25.1 -1.5 55.7 49 49 L D T 4 S- 0 0 40 -2,-0.4 2,-2.4 -17,-0.3 3,-0.3 0.916 120.4 -77.3 52.7 44.5 -23.1 -3.4 58.2 50 50 L T T 4 S+ 0 0 11 -18,-3.3 -1,-0.3 1,-0.2 21,-0.1 -0.214 125.3 37.1 76.2 -52.0 -23.7 -6.4 56.1 51 51 L S T 4 S+ 0 0 71 -2,-2.4 12,-0.5 -3,-0.4 -1,-0.2 0.873 91.1 84.8-103.4 -46.8 -27.2 -7.2 57.2 52 52 L N E < -G 48 0B 74 -4,-0.9 -4,-2.7 -3,-0.3 2,-0.3 -0.183 65.0-129.8 -72.2 155.4 -29.3 -4.2 57.8 53 53 L L E -G 47 0B 58 -6,-0.2 -6,-0.2 1,-0.1 -1,-0.1 -0.775 15.9-119.3-113.9 145.4 -31.2 -2.2 55.2 54 54 L A > - 0 0 19 -8,-2.5 3,-1.5 -2,-0.3 2,-0.2 -0.334 44.0 -84.4 -75.7 160.5 -31.2 1.4 54.5 55 55 L S T 3 S+ 0 0 124 1,-0.2 -1,-0.1 -2,-0.1 -10,-0.1 -0.458 115.7 25.3 -67.0 135.7 -34.4 3.6 54.7 56 56 L G T 3 S+ 0 0 68 1,-0.3 -1,-0.2 -2,-0.2 -2,-0.0 0.345 86.4 135.1 91.6 -4.7 -36.5 3.4 51.5 57 57 L V < - 0 0 15 -3,-1.5 -1,-0.3 -11,-0.1 -4,-0.1 -0.689 58.1-118.5 -82.3 121.1 -35.1 0.0 50.5 58 58 L P > - 0 0 37 0, 0.0 2,-1.6 0, 0.0 3,-1.3 -0.176 29.1-102.2 -57.9 147.9 -37.9 -2.3 49.3 59 59 L V T 3 S+ 0 0 148 1,-0.2 3,-0.1 3,-0.0 -2,-0.0 -0.577 105.0 70.0 -78.7 86.6 -38.5 -5.6 51.2 60 60 L R T 3 S+ 0 0 33 -2,-1.6 15,-2.3 1,-0.2 2,-0.3 0.190 72.4 96.6-165.4 -22.3 -36.8 -8.1 48.9 61 61 L F E < +C 74 0A 12 -3,-1.3 2,-0.3 13,-0.2 -1,-0.2 -0.602 48.0 174.2 -82.1 139.4 -33.1 -7.3 49.3 62 62 L S E -C 73 0A 51 11,-2.2 11,-3.5 -2,-0.3 2,-0.3 -0.995 12.7-163.0-146.1 149.6 -31.0 -9.3 51.8 63 63 L G E +C 72 0A 14 -12,-0.5 2,-0.3 -2,-0.3 9,-0.2 -0.977 16.9 149.3-134.7 147.7 -27.4 -9.5 52.8 64 64 L S E +C 71 0A 66 7,-2.1 7,-2.9 -2,-0.3 2,-0.2 -0.932 15.5 101.7-158.3 178.5 -25.2 -12.0 54.7 65 65 L G E -C 70 0A 43 -2,-0.3 2,-0.3 5,-0.3 5,-0.2 -0.613 38.8-127.3 126.5 175.8 -21.6 -13.3 55.0 66 66 L S E > -C 69 0A 91 3,-2.1 3,-1.4 -2,-0.2 2,-1.0 -0.989 59.7 -13.9-159.8 153.2 -18.4 -13.1 57.1 67 67 L G E 3 S-B 29 0A 24 -38,-0.7 -38,-1.2 -2,-0.3 -40,-0.1 -0.321 128.8 -8.4 61.6 -91.6 -14.7 -12.5 56.9 68 68 L T E 3 S+ 0 0 68 -2,-1.0 -43,-2.8 -40,-0.2 2,-0.5 0.711 124.3 65.6-110.5 -32.7 -13.8 -12.8 53.2 69 69 L S E < +BC 24 66A 69 -3,-1.4 -3,-2.1 -45,-0.2 2,-0.3 -0.866 58.2 166.6-104.5 121.9 -17.0 -14.1 51.5 70 70 L Y E -BC 23 65A 7 -47,-2.6 -47,-2.8 -2,-0.5 2,-0.4 -0.946 13.9-157.7-132.2 152.7 -20.1 -11.9 51.5 71 71 L S E -BC 22 64A 28 -7,-2.9 -7,-2.1 -2,-0.3 2,-0.5 -0.981 15.0-156.4-136.6 141.2 -23.4 -12.0 49.6 72 72 L L E -BC 21 63A 0 -51,-3.1 -51,-3.3 -2,-0.4 2,-0.5 -0.985 24.2-166.5-109.1 123.3 -26.3 -9.8 48.4 73 73 L T E -BC 20 62A 14 -11,-3.5 -11,-2.2 -2,-0.5 2,-0.6 -0.937 14.8-162.1-115.8 128.7 -29.4 -11.8 47.8 74 74 L I E -BC 19 61A 0 -55,-3.3 -55,-3.2 -2,-0.5 3,-0.2 -0.950 6.7-161.5-105.1 114.0 -32.5 -10.7 46.0 75 75 L S S S+ 0 0 49 -15,-2.3 2,-0.4 -2,-0.6 -1,-0.1 0.873 80.2 16.1 -64.1 -41.2 -35.4 -13.0 46.9 76 76 L R S S- 0 0 187 -16,-0.2 -1,-0.3 -58,-0.1 2,-0.3 -0.947 81.3-132.9-140.5 116.6 -37.6 -12.0 43.9 77 77 L M - 0 0 6 -60,-1.0 -61,-1.3 -2,-0.4 2,-0.3 -0.484 25.3-169.7 -74.3 129.3 -36.2 -10.1 40.9 78 78 L E > - 0 0 84 -2,-0.3 3,-1.5 -63,-0.2 4,-0.2 -0.784 34.3-112.5-117.0 161.7 -38.3 -7.1 39.7 79 79 L A G > S+ 0 0 71 1,-0.3 3,-1.0 -2,-0.3 26,-0.1 0.817 115.1 57.1 -61.3 -34.6 -38.1 -4.9 36.6 80 80 L E G 3 S+ 0 0 98 1,-0.2 -1,-0.3 -42,-0.0 -42,-0.0 0.233 93.3 72.2 -83.5 14.2 -36.9 -1.9 38.6 81 81 L D G < + 0 0 3 -3,-1.5 2,-1.2 2,-0.0 -1,-0.2 0.519 58.7 118.1-104.8 -9.9 -33.9 -3.8 39.9 82 82 L A < + 0 0 30 -3,-1.0 2,-0.3 -4,-0.2 22,-0.1 -0.449 50.0 113.9 -62.6 94.7 -31.9 -3.9 36.7 83 83 L A S S- 0 0 5 -2,-1.2 20,-2.5 -45,-0.1 2,-0.4 -0.933 71.1 -87.5-154.4 170.6 -28.8 -2.0 37.9 84 84 L T E -EH 37 102B 25 -47,-2.2 -47,-2.3 -2,-0.3 2,-0.4 -0.778 39.4-153.8 -89.3 135.5 -25.1 -2.2 38.7 85 85 L Y E -EH 36 101B 0 16,-3.0 16,-2.5 -2,-0.4 2,-0.4 -0.937 7.8-157.0-117.7 133.9 -24.3 -3.3 42.2 86 86 L Y E -E 35 0B 25 -51,-2.3 -51,-1.5 -2,-0.4 2,-0.2 -0.864 11.6-132.7-119.7 142.8 -21.1 -2.4 44.0 87 87 L a E -E 34 0B 0 -2,-0.4 11,-1.1 -53,-0.2 2,-0.3 -0.498 23.9-170.5 -81.7 154.7 -19.0 -3.8 46.9 88 88 L Q E -EI 33 97B 0 -55,-0.7 -55,-1.9 9,-0.2 2,-0.3 -0.956 4.6-179.6-154.7 134.9 -17.7 -1.5 49.7 89 89 L Q E +E 32 0B 0 7,-1.5 6,-0.4 -2,-0.3 7,-0.3 -0.901 9.0 173.5-136.1 154.5 -15.3 -2.0 52.6 90 90 L R + 0 0 58 -59,-0.6 -88,-0.1 -2,-0.3 -60,-0.1 -0.459 52.2 81.0-132.1-147.1 -13.7 -0.3 55.7 91 91 L T S S+ 0 0 75 -2,-0.2 4,-0.1 1,-0.1 -1,-0.1 0.628 99.3 60.6 48.6 19.8 -11.4 -1.4 58.6 92 92 L N S S- 0 0 57 -3,-0.1 -1,-0.1 -90,-0.1 3,-0.1 0.310 105.3-117.7-149.3 1.2 -8.4 -1.1 56.2 93 93 L Y S S+ 0 0 74 -92,-0.1 2,-0.2 3,-0.0 -3,-0.1 0.645 89.8 79.1 15.8 99.9 -8.5 2.5 55.1 94 94 L P S S- 0 0 20 0, 0.0 -92,-0.6 0, 0.0 2,-0.2 0.594 71.9-152.4 -59.6 153.2 -8.9 2.6 52.1 95 95 L L - 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