==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=24-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER COMPLEX(ANTIBODY/HIV-1 FRAGMENT) 10-FEB-94 1ACY . COMPND 2 MOLECULE: IGG1-KAPPA 59.1 FAB (LIGHT CHAIN); . SOURCE 2 ORGANISM_SCIENTIFIC: MUS MUSCULUS; . AUTHOR J.B.GHIARA,I.A.WILSON . 446 3 5 5 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 19678.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 296 66.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 9 2.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 179 40.1 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 0.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 3 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 5 1.1 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 . 1 0.2 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 . 51 11.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 33 7.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 13 2.9 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+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 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 RESIDUES PER ALPHA HELIX . 0 1 0 0 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 0 PARALLEL BRIDGES PER LADDER . 4 3 5 2 5 7 2 1 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 . 2 0 6 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 L D 0 0 98 0, 0.0 97,-0.1 0, 0.0 25,-0.0 0.000 360.0 360.0 360.0 -54.6 58.3 62.5 8.6 2 2 L I - 0 0 0 97,-0.2 2,-0.6 95,-0.2 92,-0.2 -0.144 360.0-127.8 -28.7 126.9 57.3 63.5 12.1 3 3 L V - 0 0 88 98,-0.1 23,-1.8 2,-0.0 2,-0.6 -0.773 17.5-147.8 -92.5 128.1 56.8 60.8 14.4 4 4 L M E -A 25 0A 13 -2,-0.6 2,-0.7 98,-0.5 100,-0.5 -0.858 9.9-163.0-103.4 119.6 53.5 60.8 16.2 5 5 L T E -A 24 0A 79 19,-3.6 19,-2.3 -2,-0.6 2,-0.3 -0.873 5.0-170.6-111.5 106.8 53.6 59.5 19.7 6 6 L Q E -A 23 0A 19 -2,-0.7 17,-0.2 17,-0.2 98,-0.1 -0.714 15.1-139.9 -92.2 152.2 50.3 58.6 21.3 7 7 L S E S+A 22 0A 58 15,-1.8 15,-2.4 -2,-0.3 2,-0.1 -0.936 70.1 39.2-159.6 138.7 50.1 57.8 24.9 8 8 L P - 0 0 43 0, 0.0 -1,-0.2 0, 0.0 3,-0.1 0.617 64.5-151.7 -74.2 165.9 48.6 55.8 26.8 9 9 L A S S- 0 0 80 1,-0.2 98,-1.9 97,-0.1 2,-0.3 0.915 79.0 -7.4 -75.6 -35.0 48.9 52.7 24.7 10 10 L S E -d 107 0B 76 96,-0.2 2,-0.3 79,-0.0 -1,-0.2 -0.975 67.5-178.4-152.7 160.0 45.7 51.4 26.3 11 11 L L E -d 108 0B 35 96,-1.8 98,-2.2 -2,-0.3 2,-0.6 -0.996 21.8-137.2-159.3 157.5 43.4 52.4 29.1 12 12 L V E +d 109 0B 87 -2,-0.3 2,-0.4 96,-0.2 98,-0.3 -0.945 26.7 176.2-121.6 114.2 40.2 51.3 30.9 13 13 L V E -d 110 0B 18 96,-1.7 98,-2.8 -2,-0.6 2,-0.2 -0.911 24.6-126.1-119.9 145.4 37.8 54.0 31.7 14 14 L S E > -d 111 0B 46 -2,-0.4 3,-2.0 96,-0.2 68,-0.3 -0.571 42.1 -81.1 -90.0 153.3 34.3 53.5 33.3 15 15 L L T 3 S+ 0 0 77 96,-2.2 68,-0.2 1,-0.3 -1,-0.1 -0.076 116.6 22.3 -44.6 141.2 31.1 54.8 31.8 16 16 L G T 3 S+ 0 0 39 66,-3.1 -1,-0.3 1,-0.2 67,-0.1 0.244 106.2 112.2 81.8 -14.6 30.3 58.5 32.4 17 17 L Q < - 0 0 97 -3,-2.0 65,-3.0 64,-0.2 2,-0.5 -0.067 67.6-102.9 -82.9-175.6 34.0 59.1 33.0 18 18 L R - 0 0 151 63,-0.2 2,-0.4 62,-0.2 62,-0.2 -0.916 23.9-170.8-121.5 138.6 36.7 60.9 31.2 19 19 L A E - B 0 79A 1 60,-2.8 60,-2.5 -2,-0.5 2,-0.4 -0.912 4.9-163.0-118.6 150.6 39.4 59.6 29.1 20 20 L T E - B 0 78A 67 -2,-0.4 2,-0.4 58,-0.2 58,-0.2 -0.954 5.5-174.6-138.0 102.6 42.3 61.7 27.8 21 21 L I E - B 0 77A 0 56,-2.6 56,-2.3 -2,-0.4 2,-0.4 -0.827 11.4-159.4 -98.8 144.2 44.4 60.4 24.9 22 22 L S E -AB 7 76A 35 -15,-2.4 -15,-1.8 -2,-0.4 2,-0.4 -0.969 9.2-167.2-129.0 146.5 47.5 62.5 23.9 23 23 L a E -AB 6 75A 0 52,-2.9 52,-1.7 -2,-0.4 2,-0.4 -0.994 5.7-165.6-137.9 124.3 49.5 62.6 20.8 24 24 L R E -AB 5 74A 156 -19,-2.3 -19,-3.6 -2,-0.4 2,-0.5 -0.943 6.9-151.3-117.9 137.7 52.8 64.3 20.4 25 25 L A E -A 4 0A 7 48,-1.9 -21,-0.2 -2,-0.4 4,-0.1 -0.924 18.0-133.7-114.3 130.1 54.6 65.2 17.2 26 26 L S S S+ 0 0 64 -23,-1.8 2,-0.3 -2,-0.5 -22,-0.1 0.475 92.1 12.3 -51.5 -14.3 58.4 65.3 16.9 27 27 L E S S- 0 0 106 45,-0.2 2,-0.2 -24,-0.1 -25,-0.0 -0.948 104.7 -65.6-162.6 162.7 58.1 68.6 15.1 28 27AL S - 0 0 30 -2,-0.3 45,-0.2 1,-0.1 -26,-0.1 -0.314 27.4-162.8 -68.4 135.3 55.5 71.1 14.5 29 27BL V + 0 0 0 43,-2.2 7,-2.5 -2,-0.2 2,-0.3 -0.044 52.7 121.5-103.7 35.5 52.6 70.2 12.5 30 27CL D E +J 35 0C 42 5,-0.2 2,-0.3 6,-0.1 5,-0.2 -0.750 22.8 147.1-110.0 145.0 51.6 73.8 11.9 31 27DL S E > S+J 34 0C 16 3,-1.9 3,-2.6 -2,-0.3 410,-0.1 -0.919 70.1 19.7-162.3 152.2 51.2 75.9 8.8 32 28 L Y T 3 S- 0 0 175 1,-0.3 3,-0.1 -2,-0.3 409,-0.0 0.761 129.1 -71.6 49.6 31.3 48.8 78.9 7.8 33 29 L G T 3 S+ 0 0 80 1,-0.2 -1,-0.3 0, 0.0 2,-0.3 0.714 114.1 109.4 55.0 30.5 48.5 79.1 11.6 34 30 L K E < S-J 31 0C 113 -3,-2.6 -3,-1.9 -5,-0.0 2,-0.7 -0.866 70.2-122.5-123.1 154.6 46.4 75.8 11.8 35 31 L S E -J 30 0C 6 -2,-0.3 2,-1.6 19,-0.3 -5,-0.2 -0.905 19.1-152.4-107.4 117.2 47.6 72.5 13.2 36 32 L F + 0 0 5 -7,-2.5 59,-2.2 -2,-0.7 2,-0.4 -0.341 53.6 111.1 -91.5 57.3 47.2 69.9 10.6 37 33 L M E -E 94 0B 0 -2,-1.6 18,-3.1 57,-0.2 2,-0.3 -0.947 43.5-167.2-132.3 145.2 46.7 66.9 12.7 38 34 L H E -E 93 0B 0 55,-2.4 55,-2.4 -2,-0.4 2,-0.3 -0.919 14.6-133.3-130.9 153.2 43.6 64.9 13.0 39 35 L W E -EF 92 52B 0 13,-2.5 12,-2.2 -2,-0.3 13,-1.0 -0.874 20.6-169.6-108.4 148.3 42.1 62.1 15.2 40 36 L Y E -EF 91 50B 0 51,-2.7 51,-2.0 -2,-0.3 2,-0.4 -0.913 11.0-148.6-133.8 160.7 40.4 59.0 13.9 41 37 L Q E -EF 90 49B 3 8,-2.7 8,-2.7 -2,-0.3 2,-0.5 -0.964 8.4-167.5-127.0 141.8 38.4 56.3 15.6 42 38 L Q E -E 89 0B 16 47,-2.7 47,-2.5 -2,-0.4 3,-0.1 -0.939 5.1-162.3-138.6 104.1 38.3 52.7 14.4 43 39 L K > - 0 0 46 -2,-0.5 3,-0.8 4,-0.4 45,-0.1 -0.529 56.3 -70.6 -68.3 152.9 35.7 50.4 15.9 44 40 L P T 3 S+ 0 0 80 0, 0.0 -1,-0.2 0, 0.0 125,-0.0 -0.254 118.6 4.2 -56.6 135.7 36.9 46.8 15.1 45 41 L G T 3 S+ 0 0 61 1,-0.3 -2,-0.0 -3,-0.1 -3,-0.0 0.934 107.8 110.7 56.8 40.5 36.7 45.8 11.4 46 42 L Q S < S- 0 0 103 -3,-0.8 -1,-0.3 3,-0.0 3,-0.1 -0.971 77.2-108.1-131.4 143.8 35.6 49.3 10.5 47 43 L P - 0 0 36 0, 0.0 -4,-0.4 0, 0.0 -6,-0.1 -0.400 54.4 -82.2 -55.5 150.0 37.7 51.7 8.5 48 44 L P - 0 0 4 0, 0.0 2,-0.4 0, 0.0 -6,-0.2 -0.299 46.6-146.3 -52.9 148.5 39.0 54.6 10.6 49 45 L K E -F 41 0B 97 -8,-2.7 -8,-2.7 -3,-0.1 2,-0.2 -0.952 17.5-118.2-116.5 137.0 36.3 57.3 11.1 50 46 L V E +F 40 0B 9 -2,-0.4 -10,-0.2 -10,-0.2 3,-0.1 -0.555 37.1 168.9 -69.4 145.5 37.4 60.9 11.3 51 47 L L E + 0 0 2 -12,-2.2 8,-2.4 1,-0.4 2,-0.4 0.638 65.7 11.5-119.1 -55.4 36.4 62.4 14.6 52 48 L I E -FG 39 58B 0 -13,-1.0 -13,-2.5 6,-0.2 -1,-0.4 -0.984 66.0-165.4-133.8 131.3 38.3 65.6 14.8 53 49 L Y E > + G 0 57B 53 4,-3.0 4,-1.4 -2,-0.4 3,-0.4 -0.801 66.3 16.8-119.3 168.2 40.2 67.5 12.1 54 50 L I T >4 S- 0 0 10 -2,-0.3 2,-2.8 267,-0.3 3,-0.6 0.903 120.3 -73.9 29.2 59.7 42.6 70.3 12.1 55 51 L A T 34 S+ 0 0 2 -18,-3.1 -1,-0.3 -3,-0.3 21,-0.1 -0.142 127.0 24.8 64.7 -40.7 43.3 69.8 15.7 56 52 L S T 34 S+ 0 0 76 -2,-2.8 12,-0.5 -3,-0.4 2,-0.4 0.634 89.2 106.2-125.2 -22.7 40.0 71.3 17.2 57 53 L N E << -G 53 0B 78 -4,-1.4 -4,-3.0 -3,-0.6 2,-0.3 -0.482 60.1-137.8 -76.1 124.9 37.3 71.0 14.6 58 54 L L E -G 52 0B 61 -2,-0.4 -6,-0.2 -6,-0.2 2,-0.2 -0.565 14.5-127.2 -81.8 132.1 34.6 68.5 15.1 59 55 L E > - 0 0 49 -8,-2.4 3,-1.1 -2,-0.3 -1,-0.1 -0.474 41.3 -86.3 -74.2 146.2 33.4 66.4 12.2 60 56 L S T 3 S+ 0 0 105 1,-0.3 2,-1.0 -2,-0.2 -1,-0.1 -0.096 112.4 17.8 -47.4 141.5 29.7 66.3 11.6 61 57 L G T 3 S+ 0 0 69 1,-0.2 -1,-0.3 -3,-0.1 -10,-0.0 -0.181 88.4 122.6 85.6 -42.5 27.9 63.8 13.5 62 58 L V < - 0 0 18 -3,-1.1 -1,-0.2 -2,-1.0 4,-0.1 -0.252 69.0-112.1 -60.4 127.1 30.6 63.2 16.1 63 59 L P > - 0 0 61 0, 0.0 3,-1.0 0, 0.0 -1,-0.1 -0.262 21.3-100.7 -64.5 157.5 29.0 64.0 19.5 64 60 L A T 3 S+ 0 0 96 1,-0.3 -2,-0.1 15,-0.0 -6,-0.0 0.613 110.0 75.7 -39.3 -32.7 29.6 66.9 21.9 65 61 L R T 3 S+ 0 0 30 16,-0.1 15,-1.2 14,-0.1 2,-0.5 0.060 73.2 89.8 -81.6 21.4 31.7 64.8 24.1 66 62 L F E < -C 79 0A 8 -3,-1.0 2,-0.6 13,-0.2 13,-0.2 -0.981 58.3-167.0-115.0 122.0 34.7 64.8 21.9 67 63 L S E -C 78 0A 60 11,-2.6 11,-1.0 -2,-0.5 2,-0.7 -0.906 9.4-161.8-124.4 121.3 37.2 67.5 22.4 68 64 L G E +C 77 0A 18 -2,-0.6 2,-0.3 -12,-0.5 9,-0.2 -0.843 26.1 158.6 -92.3 119.2 40.1 68.4 20.2 69 65 L S E +C 76 0A 47 7,-1.4 7,-1.5 -2,-0.7 2,-0.1 -0.886 17.5 53.7-132.0 168.8 42.8 70.5 21.8 70 66 L G E -C 75 0A 35 -2,-0.3 2,-0.3 5,-0.3 5,-0.2 -0.222 45.1-133.4 103.1 174.9 46.4 71.5 21.5 71 67 L S E > +C 74 0A 65 3,-1.3 3,-2.1 -2,-0.1 2,-1.9 -0.975 61.1 6.5-163.7 164.5 49.0 73.0 19.1 72 68 L R T 3 S- 0 0 164 1,-0.3 -43,-2.2 -2,-0.3 -45,-0.2 -0.457 133.4 -15.1 63.5 -74.1 52.4 72.8 17.6 73 69 L T T 3 S+ 0 0 51 -2,-1.9 -48,-1.9 -45,-0.2 2,-0.5 0.417 123.3 76.8-132.4 -6.6 53.6 69.5 19.1 74 70 L D E < +BC 24 71A 77 -3,-2.1 -3,-1.3 -50,-0.2 2,-0.3 -0.960 52.2 166.5-123.1 114.5 51.1 68.8 21.9 75 71 L F E -BC 23 70A 0 -52,-1.7 -52,-2.9 -2,-0.5 2,-0.4 -1.000 13.8-165.4-137.6 139.2 47.6 67.6 21.2 76 72 L T E -BC 22 69A 34 -7,-1.5 -7,-1.4 -2,-0.3 2,-0.4 -0.963 7.7-164.5-131.2 117.6 44.8 66.1 23.4 77 73 L L E -BC 21 68A 0 -56,-2.3 -56,-2.6 -2,-0.4 2,-0.4 -0.867 18.3-171.7 -99.7 140.1 41.6 64.2 22.5 78 74 L T E -BC 20 67A 29 -11,-1.0 -11,-2.6 -2,-0.4 2,-0.5 -0.994 11.9-169.4-133.5 126.5 39.3 64.1 25.4 79 75 L I E -BC 19 66A 0 -60,-2.5 -60,-2.8 -2,-0.4 3,-0.3 -0.994 15.9-170.3-122.2 124.3 36.1 62.0 25.5 80 76 L D S S+ 0 0 70 -15,-1.2 -62,-0.2 -2,-0.5 -63,-0.1 -0.824 70.5 27.1-161.2 119.6 33.9 62.8 28.5 81 77 L P S S- 0 0 53 0, 0.0 -1,-0.4 0, 0.0 -63,-0.2 0.376 88.0-153.1 -80.1 136.5 31.5 61.3 29.4 82 78 L V + 0 0 0 -65,-3.0 -66,-3.1 -3,-0.3 2,-0.3 -0.471 21.3 176.2 -66.8 145.5 32.7 58.1 28.0 83 79 L E > - 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