==== 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 16-MAR-13 4JO4 . 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 . 882 4 14 12 2 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 35986.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 573 65.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 22 2.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 361 40.9 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, 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 . 7 0.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 8 0.9 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 . 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 . 88 10.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 66 7.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 16 1.8 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 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 . 2 2 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 6 3 4 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 0 8 4 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 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 95 0, 0.0 2,-0.8 0, 0.0 96,-0.1 0.000 360.0 360.0 360.0 -63.8 41.0 3.7 40.3 2 2 L I - 0 0 2 91,-0.1 2,-0.5 94,-0.1 97,-0.3 -0.953 360.0-161.6 -89.7 107.0 38.6 6.6 40.5 3 3 L V - 0 0 76 -2,-0.8 23,-1.3 95,-0.1 2,-0.5 -0.835 10.4-152.5-103.3 135.6 36.8 5.7 37.3 4 4 L M E -A 25 0A 13 -2,-0.5 2,-0.5 95,-0.3 99,-0.3 -0.891 9.6-167.7-107.4 129.6 34.6 8.1 35.5 5 5 L T E -A 24 0A 64 19,-2.8 19,-3.1 -2,-0.5 2,-0.4 -0.966 2.0-162.6-124.5 119.4 31.8 6.9 33.4 6 6 L Q E -A 23 0A 18 -2,-0.5 17,-0.2 17,-0.2 97,-0.1 -0.856 19.1-128.8-102.8 139.8 29.9 9.1 30.9 7 7 L T E S+A 22 0A 73 15,-1.1 15,-2.4 -2,-0.4 2,-0.2 -0.969 72.5 20.6-139.9 152.8 26.5 8.2 29.5 8 8 L P - 0 0 57 0, 0.0 14,-0.2 0, 0.0 3,-0.1 0.819 67.3-141.3 -77.1-177.2 25.1 7.9 27.0 9 9 L A S S+ 0 0 78 1,-0.2 97,-2.5 -2,-0.2 2,-0.3 0.737 88.5 15.3 -73.5 -23.1 28.0 7.6 24.5 10 10 L S E -d 106 0B 52 95,-0.2 2,-0.3 75,-0.0 -1,-0.2 -0.994 67.1-174.2-151.4 152.8 26.0 9.8 22.2 11 11 L V E -d 107 0B 30 95,-2.0 97,-3.2 -2,-0.3 2,-0.3 -0.991 8.2-152.1-151.3 149.8 23.0 12.1 22.3 12 12 L S E +d 108 0B 60 -2,-0.3 2,-0.3 95,-0.2 97,-0.2 -0.893 13.5 171.6-128.4 153.0 20.9 14.1 19.9 13 13 L A E -d 109 0B 12 95,-1.6 97,-2.2 -2,-0.3 3,-0.1 -0.951 32.4-111.7-161.2 141.3 18.9 17.3 20.1 14 14 L A E > -d 110 0B 56 -2,-0.3 3,-2.5 95,-0.2 64,-0.2 -0.358 52.8 -84.3 -68.5 151.3 17.0 19.5 17.7 15 15 L V T 3 S+ 0 0 77 95,-1.6 64,-0.2 1,-0.3 -1,-0.1 -0.247 122.8 23.5 -50.3 145.4 18.4 23.0 17.1 16 16 L G T 3 S+ 0 0 53 62,-3.3 61,-0.6 1,-0.2 -1,-0.3 0.215 106.7 114.2 76.5 -18.1 17.1 25.3 19.8 17 17 L G < - 0 0 23 -3,-2.5 61,-3.3 61,-0.3 2,-0.4 0.112 65.3-119.6 -69.7-172.6 16.6 22.2 21.9 18 18 L T - 0 0 86 58,-0.2 2,-0.3 59,-0.2 58,-0.2 -1.000 22.1-167.2-136.7 138.2 18.4 21.2 25.1 19 19 L V E - B 0 75A 5 56,-1.9 56,-2.7 -2,-0.4 2,-0.4 -0.924 5.4-153.6-125.1 145.9 20.6 18.2 25.7 20 20 L T E - B 0 74A 65 -2,-0.3 2,-0.4 54,-0.2 54,-0.2 -0.960 5.2-166.1-124.7 146.5 22.0 16.7 28.9 21 21 L I E - B 0 73A 0 52,-2.6 52,-2.5 -2,-0.4 2,-0.3 -0.960 12.5-142.5-129.4 140.5 25.1 14.6 29.5 22 22 L N E -AB 7 72A 53 -15,-2.4 -15,-1.1 -2,-0.4 2,-0.4 -0.797 11.3-168.9-112.4 152.3 25.9 12.5 32.5 23 23 L a E -AB 6 71A 0 48,-2.6 48,-2.7 -2,-0.3 2,-0.5 -0.977 7.9-167.2-136.7 119.1 29.1 11.8 34.4 24 24 L Q E -AB 5 70A 90 -19,-3.1 -19,-2.8 -2,-0.4 2,-0.4 -0.920 5.0-156.8-109.1 132.3 29.4 9.2 37.1 25 25 L A E -A 4 0A 2 44,-2.1 -21,-0.2 -2,-0.5 3,-0.1 -0.837 20.6-133.5-103.3 147.7 32.3 8.8 39.5 26 26 L S S S+ 0 0 64 -23,-1.3 2,-0.3 -2,-0.4 -22,-0.1 0.399 92.6 9.5 -80.6 2.7 33.0 5.5 41.2 27 27 L E S S- 0 0 85 -24,-0.1 -1,-0.2 41,-0.1 41,-0.0 -0.894 103.8 -69.4-172.7 151.6 33.5 7.4 44.5 28 28 L T - 0 0 87 -2,-0.3 41,-0.2 1,-0.1 -2,-0.1 -0.098 33.8-173.3 -51.2 142.5 32.9 11.0 45.7 29 29 L I > - 0 0 0 39,-1.3 3,-2.7 -4,-0.1 62,-0.2 -0.050 45.5-115.6-122.3 25.7 35.2 13.5 44.2 30 30 L S T 3 S- 0 0 55 1,-0.3 3,-0.1 38,-0.1 39,-0.1 0.835 70.5 -57.7 34.0 53.6 33.9 16.3 46.4 31 31 L N T 3 S+ 0 0 58 37,-0.4 2,-1.5 1,-0.2 -1,-0.3 0.630 96.0 139.7 60.3 18.2 32.5 18.3 43.4 32 32 L Y < + 0 0 44 -3,-2.7 59,-3.4 18,-0.1 60,-0.5 -0.641 29.6 135.7 -89.2 81.0 35.9 18.5 41.6 33 33 L L E -E 90 0B 1 -2,-1.5 18,-3.2 57,-0.2 2,-0.3 -0.995 33.3-169.0-136.1 125.1 34.5 17.9 38.2 34 34 L A E -E 89 0B 2 55,-2.2 55,-1.8 -2,-0.4 2,-0.4 -0.865 8.9-149.3-115.0 154.0 35.3 19.7 35.0 35 35 L W E -EF 88 48B 0 13,-2.2 12,-2.8 -2,-0.3 13,-1.4 -0.975 14.0-171.7-120.2 136.4 33.7 19.6 31.5 36 36 L Y E -EF 87 46B 0 51,-2.5 51,-1.8 -2,-0.4 2,-0.4 -0.917 14.0-145.7-123.8 151.4 35.5 20.2 28.2 37 37 L Q E -EF 86 45B 22 8,-2.5 8,-2.9 -2,-0.3 2,-0.4 -0.934 18.3-172.3-109.1 140.4 34.3 20.6 24.6 38 38 L Q E -E 85 0B 15 47,-2.3 47,-2.3 -2,-0.4 3,-0.1 -0.958 8.5-170.1-138.2 124.0 36.4 19.2 21.8 39 39 L K > - 0 0 46 -2,-0.4 3,-1.7 4,-0.4 45,-0.1 -0.763 47.0 -76.7-101.4 155.7 36.0 19.6 18.0 40 40 L P T 3 S+ 0 0 89 0, 0.0 -1,-0.1 0, 0.0 0, 0.0 -0.145 116.2 14.5 -52.8 141.0 38.0 17.6 15.5 41 41 L G T 3 S+ 0 0 91 1,-0.2 -3,-0.0 -3,-0.1 0, 0.0 0.539 111.1 96.5 72.9 7.9 41.6 18.7 15.0 42 42 L Q S < S- 0 0 101 -3,-1.7 -1,-0.2 3,-0.0 3,-0.1 -0.900 76.3-110.1-127.3 157.4 41.6 20.9 18.2 43 43 L P - 0 0 39 0, 0.0 -4,-0.4 0, 0.0 292,-0.1 -0.446 52.9 -88.2 -71.9 158.8 42.6 20.5 21.8 44 44 L P - 0 0 3 0, 0.0 2,-0.4 0, 0.0 -6,-0.2 -0.294 40.6-141.5 -62.9 152.6 39.8 20.4 24.4 45 45 L K E -F 37 0B 106 -8,-2.9 -8,-2.5 -3,-0.1 2,-0.2 -0.979 17.2-113.7-121.1 139.5 38.5 23.6 25.7 46 46 L L E +F 36 0B 29 -2,-0.4 -10,-0.2 -10,-0.2 3,-0.1 -0.453 38.8 162.3 -69.3 130.1 37.4 24.2 29.3 47 47 L L E + 0 0 2 -12,-2.8 8,-3.0 1,-0.4 2,-0.3 0.723 65.0 5.9-107.4 -44.2 33.7 24.9 29.9 48 48 L I E -FG 35 54B 0 -13,-1.4 -13,-2.2 6,-0.3 -1,-0.4 -0.996 54.3-172.5-149.9 138.4 33.1 24.3 33.6 49 49 L Y E >> S+ G 0 53B 16 4,-2.2 4,-2.0 -2,-0.3 3,-0.6 -0.938 72.5 30.0-130.4 162.4 35.1 23.5 36.7 50 50 L K T 34 S- 0 0 53 -2,-0.3 2,-1.2 1,-0.2 -16,-0.2 0.842 122.8 -78.1 57.3 33.5 34.1 22.6 40.2 51 51 L A T 34 S+ 0 0 0 -18,-3.2 -1,-0.2 1,-0.2 21,-0.2 -0.060 125.7 25.3 79.2 -37.1 31.0 21.0 38.7 52 52 L S T <4 S+ 0 0 29 -2,-1.2 2,-0.6 -3,-0.6 12,-0.2 0.403 85.1 110.9-144.9 0.2 29.0 24.2 38.1 53 53 L T E < -G 49 0B 44 -4,-2.0 -4,-2.2 10,-0.1 2,-0.2 -0.766 62.6-131.5 -89.2 120.9 31.4 27.2 37.7 54 54 L L E -G 48 0B 63 -2,-0.6 -6,-0.3 -6,-0.2 3,-0.1 -0.489 23.6-117.6 -70.0 131.5 31.5 28.6 34.2 55 55 L A > - 0 0 10 -8,-3.0 3,-1.8 -2,-0.2 2,-0.2 -0.368 45.8 -81.2 -66.1 150.1 34.9 29.1 32.8 56 56 L S T 3 S+ 0 0 59 1,-0.2 -1,-0.1 429,-0.0 429,-0.0 -0.354 116.7 12.4 -54.4 116.1 35.8 32.7 32.0 57 57 L G T 3 S+ 0 0 56 1,-0.3 -1,-0.2 -2,-0.2 2,-0.1 0.051 91.7 126.1 110.5 -23.9 34.3 33.4 28.6 58 58 L V < - 0 0 19 -3,-1.8 -1,-0.3 -11,-0.2 -11,-0.1 -0.427 66.4 -96.6 -80.8 146.7 32.0 30.5 28.0 59 59 L S > - 0 0 48 1,-0.1 3,-1.8 -2,-0.1 -1,-0.1 -0.213 21.3-129.6 -58.7 139.6 28.4 30.9 27.2 60 60 L S T 3 S+ 0 0 47 1,-0.3 -1,-0.1 -6,-0.1 -2,-0.1 0.473 97.7 87.9 -71.5 1.5 25.8 30.6 30.0 61 61 L R T 3 S+ 0 0 47 14,-0.1 15,-1.8 15,-0.1 2,-0.6 0.681 75.3 80.3 -69.2 -16.7 24.0 28.1 27.8 62 62 L F E < -C 75 0A 12 -3,-1.8 2,-0.5 13,-0.2 13,-0.2 -0.845 64.0-177.4 -96.8 118.8 26.3 25.5 29.4 63 63 L K E -C 74 0A 69 11,-2.8 11,-2.7 -2,-0.6 2,-0.4 -0.966 8.4-167.3-121.4 121.4 25.1 24.4 32.9 64 64 L G E +C 73 0A 6 -2,-0.5 2,-0.3 9,-0.2 9,-0.2 -0.824 19.4 156.4-100.3 143.9 27.0 22.0 35.1 65 65 L S E +C 72 0A 46 7,-2.1 7,-2.8 -2,-0.4 2,-0.2 -0.931 14.4 88.4-151.5 175.8 25.3 20.5 38.2 66 66 L G E -C 71 0A 25 -2,-0.3 2,-0.3 5,-0.3 5,-0.2 -0.431 39.6-142.2 117.7 169.8 25.5 17.5 40.5 67 67 L S E > +C 70 0A 78 3,-1.3 3,-1.8 -2,-0.2 2,-0.8 -0.978 62.2 12.6-162.5 164.1 27.3 16.3 43.6 68 68 L G T 3 S- 0 0 23 -2,-0.3 -39,-1.3 1,-0.2 -37,-0.4 -0.530 131.3 -21.1 67.3-106.9 28.9 13.3 45.2 69 69 L T T 3 S+ 0 0 45 -2,-0.8 -44,-2.1 -41,-0.2 2,-0.5 0.247 122.2 77.9-119.4 10.0 29.2 10.8 42.3 70 70 L E E < +BC 24 67A 94 -3,-1.8 -3,-1.3 -46,-0.2 2,-0.3 -0.959 52.7 169.0-129.9 118.5 26.6 12.1 39.8 71 71 L Y E -BC 23 66A 0 -48,-2.7 -48,-2.6 -2,-0.5 2,-0.4 -0.896 12.1-161.7-132.0 156.8 27.2 15.1 37.6 72 72 L T E -BC 22 65A 30 -7,-2.8 -7,-2.1 -2,-0.3 2,-0.5 -0.985 11.3-158.3-141.0 142.5 25.5 16.6 34.6 73 73 L L E -BC 21 64A 0 -52,-2.5 -52,-2.6 -2,-0.4 2,-0.4 -0.994 17.9-167.6-117.2 131.2 26.2 19.0 31.8 74 74 L T E -BC 20 63A 33 -11,-2.7 -11,-2.8 -2,-0.5 2,-0.5 -0.965 6.0-162.5-119.8 134.8 23.2 20.7 30.2 75 75 L I E -BC 19 62A 0 -56,-2.7 -56,-1.9 -2,-0.4 3,-0.3 -0.979 10.8-164.1-117.0 127.1 23.3 22.6 26.9 76 76 L S + 0 0 33 -15,-1.8 -58,-0.2 -2,-0.5 3,-0.2 -0.715 67.2 19.5-106.0 158.6 20.4 25.0 26.1 77 77 L G S S- 0 0 31 -61,-0.6 -60,-0.2 -2,-0.3 -1,-0.2 0.915 89.4-144.3 53.3 44.7 19.4 26.6 22.9 78 78 L V - 0 0 0 -61,-3.3 -62,-3.3 -3,-0.3 -61,-0.3 -0.140 18.8-165.8 -48.8 123.2 21.4 23.9 21.1 79 79 L Q > - 0 0 87 -64,-0.2 3,-2.6 -3,-0.2 4,-0.2 -0.777 35.2-115.5-107.8 156.4 23.1 25.3 18.0 80 80 L b G > S+ 0 0 14 1,-0.3 3,-2.0 -2,-0.3 91,-0.2 0.857 116.6 69.3 -55.5 -30.1 24.7 23.3 15.1 81 81 L D G 3 S+ 0 0 67 89,-0.4 -1,-0.3 1,-0.3 89,-0.1 0.550 87.4 64.3 -67.5 -8.5 27.8 24.9 16.4 82 82 L D G < + 0 0 5 -3,-2.6 -1,-0.3 88,-0.1 2,-0.3 0.466 68.5 122.0 -93.0 -4.3 27.7 22.9 19.6 83 83 L A < + 0 0 19 -3,-2.0 2,-0.3 -4,-0.2 25,-0.2 -0.454 45.7 99.1 -60.3 121.3 28.1 19.6 17.7 84 84 L A E S- H 0 107B 11 23,-0.8 23,-2.5 -2,-0.3 2,-0.4 -0.967 75.8 -75.4 176.5 179.6 31.3 18.1 19.3 85 85 L T E -EH 38 106B 41 -47,-2.3 -47,-2.3 -2,-0.3 2,-0.4 -0.884 38.9-154.3-107.1 137.6 32.5 15.7 21.9 86 86 L Y E -EH 37 105B 0 19,-2.7 19,-1.9 -2,-0.4 2,-0.4 -0.931 8.9-169.3-117.0 134.4 32.2 16.5 25.6 87 87 L Y E -E 36 0B 10 -51,-1.8 -51,-2.5 -2,-0.4 2,-0.2 -0.961 10.8-150.9-123.1 136.0 34.4 15.1 28.4 88 88 L a E -E 35 0B 0 -2,-0.4 14,-2.3 -53,-0.2 2,-0.3 -0.675 14.1-163.7 -93.1 159.7 34.1 15.2 32.1 89 89 L Q E -EI 34 101B 1 -55,-1.8 -55,-2.2 -2,-0.2 2,-0.2 -0.894 14.4-138.0-148.8 117.0 37.3 15.1 34.3 90 90 L Q E -E 33 0B 0 10,-2.1 -57,-0.2 -2,-0.3 -86,-0.1 -0.558 15.6-174.5 -74.6 136.3 37.5 14.3 38.0 91 91 L G + 0 0 1 -59,-3.4 239,-2.2 -2,-0.2 238,-0.9 0.105 57.9 97.3-118.2 16.2 39.9 16.7 39.7 92 92 L Y S S+ 0 0 85 -60,-0.5 2,-0.3 1,-0.2 -1,-0.1 0.944 93.2 3.1 -71.4 -47.3 39.9 15.1 43.1 93 93 L S + 0 0 23 235,-0.1 -1,-0.2 1,-0.1 -91,-0.1 -0.996 34.9 180.0-145.5 141.2 43.0 13.0 42.8 94 94 L I + 0 0 1 -2,-0.3 2,-0.6 -3,-0.1 3,-0.4 0.140 62.5 108.4-117.6 14.0 45.9 12.2 40.4 95 95 L S S S- 0 0 60 1,-0.2 182,-0.1 180,-0.1 180,-0.1 -0.814 94.6 -12.8 -92.1 123.2 47.4 9.7 42.8 96 95AL D S S+ 0 0 121 -2,-0.6 2,-0.3 180,-0.3 -1,-0.2 0.930 97.0 135.7 52.1 59.6 47.1 6.1 41.6 97 95BL I - 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