==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=30-AUG-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER IMMUNE SYSTEM/VIRAL PROTEIN 16-MAR-13 4JO3 . COMPND 2 MOLECULE: MONOCLONAL ANTI-HIV-1 GP120 V3 ANTIBODY R20 LIGHT . SOURCE 2 ORGANISM_SCIENTIFIC: ORYCTOLAGUS CUNICULUS; . AUTHOR R.M.PAN,X.P.KONG . 900 6 14 12 2 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 35534.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 605 67.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 28 3.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 365 40.6 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 5 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 6 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 10 1.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 2 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 1 0.1 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 . 101 11.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 70 7.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 17 1.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 0.7 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 1 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 RESIDUES PER ALPHA HELIX . 2 4 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 PARALLEL BRIDGES PER LADDER . 8 5 11 4 9 12 4 3 6 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 1 7 3 1 4 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 76 0, 0.0 2,-0.9 0, 0.0 96,-0.2 0.000 360.0 360.0 360.0 -33.7 29.8 55.5 53.0 2 2 L I - 0 0 0 97,-0.1 2,-0.7 91,-0.1 97,-0.2 -0.954 360.0-152.2 -86.7 108.8 32.5 53.0 53.7 3 3 L V - 0 0 75 -2,-0.9 2,-0.6 95,-0.1 23,-0.6 -0.784 13.0-154.2-102.1 116.8 34.4 54.2 50.7 4 4 L M E -A 25 0A 12 -2,-0.7 2,-0.6 95,-0.4 99,-0.4 -0.739 11.3-169.0 -85.4 119.1 36.7 51.9 48.8 5 5 L T E -A 24 0A 61 19,-2.7 19,-2.3 -2,-0.6 2,-0.4 -0.953 3.2-163.3-111.6 120.6 39.4 53.7 46.9 6 6 L Q E -A 23 0A 18 -2,-0.6 17,-0.2 17,-0.2 97,-0.1 -0.831 13.0-134.5-102.2 141.7 41.5 51.7 44.4 7 7 L T E S+A 22 0A 71 15,-1.5 15,-2.9 -2,-0.4 2,-0.1 -0.982 72.0 28.1-145.6 147.2 44.8 52.8 43.0 8 8 L P - 0 0 50 0, 0.0 14,-0.1 0, 0.0 3,-0.1 0.729 63.9-151.0 -76.8 176.3 46.2 53.0 40.5 9 9 L A S S+ 0 0 77 1,-0.2 97,-2.9 96,-0.2 2,-0.3 0.806 85.7 11.4 -79.4 -28.9 43.3 53.3 38.0 10 10 L S E S-d 106 0B 58 95,-0.2 2,-0.3 75,-0.1 -1,-0.2 -0.953 71.0-177.8-141.6 158.0 45.4 51.6 35.4 11 11 L V E -d 107 0B 31 95,-1.7 97,-2.6 -2,-0.3 2,-0.3 -0.976 14.2-143.0-159.2 145.2 48.7 49.7 35.5 12 12 L S E +d 108 0B 65 -2,-0.3 2,-0.3 95,-0.2 97,-0.2 -0.831 16.4 176.1-108.8 149.1 51.1 47.9 33.1 13 13 L A E -d 109 0B 8 95,-1.6 97,-2.4 -2,-0.3 3,-0.1 -0.946 28.2-124.7-149.6 131.0 53.1 44.8 33.6 14 14 L A E > -d 110 0B 54 -2,-0.3 3,-2.3 95,-0.2 64,-0.2 -0.407 50.0 -83.7 -66.1 150.7 55.3 42.9 31.1 15 15 L V T 3 S+ 0 0 46 95,-2.3 64,-0.2 1,-0.3 -1,-0.1 -0.365 119.9 23.9 -55.2 127.5 54.4 39.2 30.6 16 16 L G T 3 S+ 0 0 48 62,-2.4 61,-0.5 1,-0.3 -1,-0.3 0.191 104.4 103.8 101.6 -15.2 56.0 37.2 33.4 17 17 L G S < S- 0 0 28 -3,-2.3 61,-2.4 60,-0.2 60,-0.5 0.130 70.5-101.8 -83.4-160.3 56.2 40.1 35.9 18 18 L T - 0 0 84 58,-0.2 2,-0.4 59,-0.2 58,-0.2 -0.971 24.3-164.8-131.0 144.3 54.2 41.1 38.9 19 19 L V E - B 0 75A 4 56,-1.8 56,-2.5 -2,-0.4 2,-0.4 -0.991 3.5-160.0-130.1 133.1 51.5 43.6 39.4 20 20 L T E - B 0 74A 70 -2,-0.4 2,-0.4 54,-0.2 54,-0.2 -0.962 3.5-166.7-114.9 138.3 50.1 45.0 42.6 21 21 L I E - B 0 73A 0 52,-2.4 52,-2.0 -2,-0.4 2,-0.4 -0.933 13.8-141.8-116.8 141.8 46.7 46.7 43.0 22 22 L N E -AB 7 72A 56 -15,-2.9 -15,-1.5 -2,-0.4 2,-0.4 -0.830 13.2-170.7-111.4 146.9 45.8 48.7 46.1 23 23 L a E -AB 6 71A 0 48,-2.2 48,-2.9 -2,-0.4 2,-0.4 -0.999 5.8-169.9-130.7 131.3 42.5 49.0 48.0 24 24 L Q E -AB 5 70A 85 -19,-2.3 -19,-2.7 -2,-0.4 2,-0.4 -0.975 7.2-153.8-123.1 139.0 41.9 51.5 50.7 25 25 L A E -A 4 0A 3 44,-2.5 -21,-0.2 -2,-0.4 4,-0.1 -0.884 18.9-137.0-112.2 142.0 38.9 51.6 53.1 26 26 L S S S+ 0 0 64 -23,-0.6 2,-0.3 -2,-0.4 -1,-0.1 0.736 93.7 14.8 -70.0 -21.1 37.7 54.8 54.8 27 27 L E S S- 0 0 69 41,-0.1 -1,-0.1 42,-0.1 -25,-0.0 -0.963 102.6 -74.1-145.9 164.6 37.3 52.7 57.9 28 28 L T - 0 0 84 -2,-0.3 41,-0.2 1,-0.1 -2,-0.1 -0.261 36.9-172.9 -59.7 142.4 38.5 49.4 59.2 29 29 L I > - 0 0 0 39,-1.4 3,-1.3 -4,-0.1 62,-0.2 0.323 39.1-116.9-123.8 6.9 36.6 46.4 57.6 30 30 L S T 3 S- 0 0 60 1,-0.3 3,-0.1 38,-0.2 39,-0.1 0.837 71.2 -61.9 64.0 36.0 37.9 43.5 59.7 31 31 L N T 3 S+ 0 0 60 37,-0.3 2,-1.4 1,-0.2 -1,-0.3 0.709 96.7 139.7 60.5 21.1 39.6 41.8 56.7 32 32 L Y < + 0 0 43 -3,-1.3 59,-3.8 18,-0.2 60,-0.6 -0.653 30.0 134.9 -90.9 77.1 36.2 41.5 55.0 33 33 L L E -E 90 0B 1 -2,-1.4 18,-2.2 57,-0.3 2,-0.3 -0.994 35.4-165.8-132.3 127.8 37.7 42.5 51.6 34 34 L A E -E 89 0B 1 55,-2.3 55,-2.1 -2,-0.4 2,-0.4 -0.888 6.6-152.0-119.6 148.4 37.0 40.7 48.3 35 35 L W E -EF 88 48B 0 13,-2.5 12,-2.8 -2,-0.3 13,-1.4 -0.965 13.6-173.9-119.8 131.9 38.8 40.9 44.9 36 36 L Y E -EF 87 46B 0 51,-3.4 51,-2.4 -2,-0.4 2,-0.5 -0.909 15.1-148.8-122.2 152.3 37.1 40.3 41.5 37 37 L Q E -EF 86 45B 11 8,-2.6 8,-2.7 -2,-0.3 2,-0.5 -0.976 16.9-168.0-115.1 131.5 38.4 40.1 38.0 38 38 L Q E -E 85 0B 14 47,-3.4 47,-2.5 -2,-0.5 3,-0.0 -0.976 6.3-166.3-123.3 130.4 36.1 41.2 35.2 39 39 L K > - 0 0 21 -2,-0.5 3,-1.9 4,-0.4 45,-0.1 -0.796 46.2 -75.8-107.1 155.0 36.6 40.6 31.5 40 40 L P T 3 S+ 0 0 87 0, 0.0 -1,-0.1 0, 0.0 0, 0.0 -0.189 115.9 8.6 -56.6 134.1 34.5 42.5 28.8 41 41 L G T 3 S+ 0 0 89 1,-0.2 469,-0.0 -3,-0.0 -3,-0.0 0.573 111.1 101.9 76.3 11.1 31.0 41.3 28.5 42 42 L Q S < S- 0 0 50 -3,-1.9 -1,-0.2 467,-0.0 3,-0.1 -0.902 75.9-110.2-125.5 153.1 31.2 39.1 31.5 43 43 L P - 0 0 36 0, 0.0 -4,-0.4 0, 0.0 292,-0.1 -0.447 55.2 -84.0 -70.8 160.3 30.0 39.2 35.0 44 44 L P - 0 0 6 0, 0.0 2,-0.5 0, 0.0 -6,-0.2 -0.258 39.2-136.2 -60.7 150.7 32.9 39.6 37.6 45 45 L K E -F 37 0B 68 -8,-2.7 -8,-2.6 -3,-0.1 2,-0.2 -0.967 17.3-123.7-112.1 127.3 34.7 36.5 38.8 46 46 L L E +F 36 0B 21 -2,-0.5 -10,-0.2 -10,-0.2 3,-0.1 -0.509 38.2 161.6 -68.2 131.0 35.5 36.2 42.5 47 47 L L E + 0 0 0 -12,-2.8 8,-3.1 1,-0.4 2,-0.4 0.731 61.4 14.4-110.4 -55.4 39.2 35.7 43.2 48 48 L I E +FG 35 54B 0 -13,-1.4 -13,-2.5 6,-0.2 -1,-0.4 -0.963 56.9 175.0-132.7 139.8 39.8 36.5 46.9 49 49 L Y E >> + G 0 53B 47 4,-2.0 4,-2.5 -2,-0.4 3,-0.5 -0.905 67.1 36.2-137.1 169.7 37.5 36.9 49.9 50 50 L K T 34 S- 0 0 85 -2,-0.3 2,-2.5 1,-0.3 -18,-0.2 0.906 125.1 -76.8 49.1 43.3 38.3 37.5 53.6 51 51 L A T 34 S+ 0 0 1 -18,-2.2 -1,-0.3 1,-0.2 21,-0.2 -0.073 126.6 20.6 68.2 -40.0 41.2 39.6 52.5 52 52 L S T <4 S+ 0 0 74 -2,-2.5 2,-0.6 -3,-0.5 12,-0.3 0.408 82.9 118.9-144.5 0.3 43.4 36.6 51.6 53 53 L T E < -G 49 0B 47 -4,-2.5 -4,-2.0 10,-0.1 2,-0.5 -0.663 57.5-136.5 -79.8 119.9 41.4 33.5 51.1 54 54 L L E -G 48 0B 59 -2,-0.6 -6,-0.2 -6,-0.2 3,-0.1 -0.627 22.0-125.7 -75.7 118.0 41.8 32.2 47.5 55 55 L A > - 0 0 9 -8,-3.1 3,-1.4 -2,-0.5 2,-0.3 -0.165 38.6 -81.2 -62.3 159.3 38.5 31.1 46.0 56 56 L S T 3 S+ 0 0 52 1,-0.2 -1,-0.1 714,-0.1 3,-0.1 -0.445 111.3 11.2 -70.2 124.9 38.1 27.6 44.6 57 57 L G T 3 S+ 0 0 0 1,-0.3 2,-0.4 -2,-0.3 -1,-0.2 0.579 95.2 127.2 89.8 11.2 39.4 27.0 41.1 58 58 L V < - 0 0 4 -3,-1.4 -1,-0.3 -11,-0.1 711,-0.1 -0.859 69.7 -97.2-102.9 137.9 41.2 30.3 40.9 59 59 L S > - 0 0 11 -2,-0.4 3,-1.7 1,-0.2 -4,-0.1 -0.192 20.6-136.3 -52.1 133.7 44.8 30.6 40.0 60 60 L S T 3 S+ 0 0 39 639,-0.4 -1,-0.2 1,-0.3 640,-0.1 0.426 94.8 88.7 -74.7 3.5 47.2 30.8 43.0 61 61 L R T 3 S+ 0 0 10 638,-0.1 15,-2.2 14,-0.1 2,-0.6 0.640 76.0 82.8 -68.2 -13.2 49.0 33.5 41.0 62 62 L F E < -C 75 0A 10 -3,-1.7 2,-0.5 13,-0.2 13,-0.2 -0.835 62.7-177.2 -99.2 119.4 46.5 35.7 42.7 63 63 L K E -C 74 0A 133 11,-2.0 11,-2.5 -2,-0.6 2,-0.5 -0.967 11.3-162.5-122.3 125.9 47.3 36.8 46.3 64 64 L G E +C 73 0A 6 -2,-0.5 2,-0.3 -12,-0.3 9,-0.2 -0.892 25.9 154.8-102.0 128.4 45.2 38.9 48.5 65 65 L S E +C 72 0A 42 7,-2.2 7,-2.4 -2,-0.5 2,-0.1 -0.820 15.7 75.0-141.1-179.9 46.9 40.6 51.5 66 66 L G E -C 71 0A 36 5,-0.3 2,-0.3 -2,-0.3 5,-0.2 -0.419 45.9-140.2 105.9 179.5 46.7 43.5 53.9 67 67 L S E > +C 70 0A 76 3,-1.6 3,-1.7 -2,-0.1 2,-1.1 -0.968 59.3 15.9-169.3 165.5 44.6 44.3 56.9 68 68 L G T 3 S- 0 0 25 -2,-0.3 -39,-1.4 1,-0.3 -37,-0.3 -0.470 129.5 -15.2 69.5 -98.4 42.7 47.1 58.6 69 69 L T T 3 S+ 0 0 53 -2,-1.1 -44,-2.5 -41,-0.2 2,-0.5 0.509 125.1 66.4-120.8 -11.6 42.4 49.9 56.1 70 70 L E E < +BC 24 67A 88 -3,-1.7 -3,-1.6 -46,-0.2 2,-0.3 -0.955 57.0 173.7-123.4 119.3 44.9 48.9 53.4 71 71 L Y E -BC 23 66A 0 -48,-2.9 -48,-2.2 -2,-0.5 2,-0.3 -0.771 10.3-156.7-120.0 162.2 44.6 45.8 51.1 72 72 L T E -BC 22 65A 30 -7,-2.4 -7,-2.2 -2,-0.3 2,-0.4 -0.985 13.7-158.5-142.5 150.3 46.5 44.4 48.2 73 73 L L E -BC 21 64A 0 -52,-2.0 -52,-2.4 -2,-0.3 2,-0.5 -0.997 17.4-170.6-124.7 124.1 46.1 42.1 45.1 74 74 L T E -BC 20 63A 27 -11,-2.5 -11,-2.0 -2,-0.4 2,-0.7 -0.962 7.6-162.8-121.0 118.7 49.3 40.8 43.7 75 75 L I E -BC 19 62A 0 -56,-2.5 -56,-1.8 -2,-0.5 3,-0.4 -0.897 12.2-164.6-100.0 117.7 49.4 38.9 40.4 76 76 L S S S+ 0 0 46 -15,-2.2 -58,-0.2 -2,-0.7 -59,-0.1 -0.712 70.0 20.2 -97.1 151.6 52.5 36.9 39.9 77 77 L G S S- 0 0 28 -61,-0.5 -1,-0.2 -60,-0.5 -59,-0.2 0.934 90.8-146.0 58.4 48.5 53.6 35.5 36.6 78 78 L V - 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