==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=22-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER IMMUNE SYSTEM 15-SEP-09 3JUY . COMPND 2 MOLECULE: 3B3 SINGLE CHAIN VARIANT HIV-1 ANTIBODY; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR K.R.CLARK,S.T.WALSH . 1411 12 12 12 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 59925.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 899 63.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 48 3.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 512 36.3 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 12 0.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 6 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 6 0.4 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 0.1 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 . 134 9.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 124 8.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 25 1.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 0.4 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 . 1 0 9 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 . 3 24 16 14 6 36 0 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 12 0 0 6 0 0 0 0 0 0 3 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 B Q 0 0 204 0, 0.0 26,-0.1 0, 0.0 2,-0.1 0.000 360.0 360.0 360.0 139.6 27.8 16.3 10.3 2 2 B V + 0 0 38 24,-0.3 2,-0.4 22,-0.1 24,-0.2 -0.304 360.0 175.1 -46.7 117.6 29.9 13.4 11.7 3 3 B Q E -A 25 0A 92 22,-3.0 22,-2.0 -2,-0.1 2,-0.5 -0.986 28.6-159.0-138.0 139.0 27.9 10.3 10.8 4 4 B L E -A 24 0A 11 113,-0.4 2,-0.5 -2,-0.4 115,-0.5 -0.945 14.9-169.5-121.7 112.9 28.3 6.6 11.1 5 5 B V E -A 23 0A 73 18,-3.0 18,-3.4 -2,-0.5 2,-0.1 -0.886 7.2-160.5-108.3 122.2 26.2 4.5 8.8 6 6 B Q E -A 22 0A 30 -2,-0.5 16,-0.2 16,-0.2 89,-0.0 -0.385 21.5 -96.0 -98.3 168.1 26.0 0.7 9.2 7 7 B S - 0 0 36 14,-1.4 -1,-0.2 1,-0.1 2,-0.1 -0.110 54.0 -79.2 -70.9 178.0 24.9 -2.3 7.1 8 8 B G - 0 0 52 1,-0.1 -1,-0.1 113,-0.1 113,-0.1 -0.338 48.5 -86.4 -84.9 161.0 21.4 -3.8 7.2 9 9 B A - 0 0 19 832,-0.1 2,-0.3 111,-0.1 114,-0.2 -0.220 45.9-157.1 -58.7 151.3 19.8 -6.2 9.6 10 10 B E E -d 123 0B 65 112,-2.5 114,-2.4 2,-0.0 2,-0.5 -0.981 19.6-145.6-137.1 147.2 20.3 -10.0 9.0 11 11 B V E -d 124 0B 42 -2,-0.3 2,-0.3 112,-0.2 114,-0.2 -0.959 33.2-168.4-104.0 130.0 18.7 -13.3 9.9 12 12 B K E -d 125 0B 25 112,-3.0 114,-2.9 -2,-0.5 115,-0.2 -0.908 21.0-134.5-129.1 146.8 21.3 -16.0 10.5 13 13 B K > - 0 0 117 -2,-0.3 3,-1.7 112,-0.2 73,-0.2 -0.717 43.4 -93.6 -94.6 147.5 21.5 -19.7 10.9 14 14 B P T 3 S+ 0 0 43 0, 0.0 73,-0.2 0, 0.0 3,-0.1 -0.316 112.4 32.3 -58.1 147.0 23.6 -21.2 13.6 15 15 B G T 3 S+ 0 0 50 71,-2.1 70,-0.7 1,-0.3 72,-0.1 -0.096 101.0 107.1 94.7 -28.3 27.2 -22.1 12.6 16 16 B A < - 0 0 20 -3,-1.7 70,-2.9 69,-0.2 -1,-0.3 -0.033 62.7-127.4 -80.4 178.2 27.2 -19.2 10.1 17 17 B S - 0 0 30 67,-0.2 2,-0.4 68,-0.2 67,-0.2 -0.917 9.5-147.3-128.7 157.1 29.0 -15.9 10.3 18 18 B V E - B 0 83A 0 65,-1.9 65,-2.4 -2,-0.3 2,-0.5 -0.978 2.2-160.1-126.4 133.5 27.9 -12.2 10.0 19 19 B K E - B 0 82A 41 -2,-0.4 2,-0.4 63,-0.2 63,-0.2 -0.971 10.8-171.5-112.3 125.3 29.9 -9.3 8.6 20 20 B V E - B 0 81A 2 61,-3.2 61,-2.5 -2,-0.5 2,-0.2 -0.949 7.5-156.0-117.8 132.8 28.7 -5.8 9.6 21 21 B S E - B 0 80A 30 -2,-0.4 -14,-1.4 59,-0.2 2,-0.3 -0.674 5.8-157.2-112.8 166.3 30.1 -2.7 8.0 22 22 B a E -AB 6 79A 1 57,-1.7 57,-2.4 -2,-0.2 2,-0.5 -0.851 4.8-162.5-151.2 100.8 30.4 0.9 9.2 23 23 B Q E -AB 5 78A 105 -18,-3.4 -18,-3.0 -2,-0.3 2,-0.3 -0.783 11.0-156.7 -95.6 123.3 30.7 3.8 6.8 24 24 B A E +A 4 0A 3 53,-2.9 2,-0.3 -2,-0.5 -20,-0.2 -0.702 14.6 172.5 -98.4 147.6 32.0 7.1 8.3 25 25 B S E +A 3 0A 54 -22,-2.0 -22,-3.0 -2,-0.3 3,-0.1 -0.988 53.3 44.2-148.1 149.4 31.4 10.6 7.0 26 26 B G S S+ 0 0 57 -2,-0.3 2,-0.3 1,-0.3 -24,-0.3 0.404 104.2 52.7 102.5 0.7 32.2 14.1 8.2 27 27 B Y S S- 0 0 30 -26,-0.1 2,-1.3 -24,-0.1 -1,-0.3 -0.965 99.7 -79.5-152.6 174.1 35.7 13.5 9.5 28 28 B R > - 0 0 155 -2,-0.3 3,-2.1 1,-0.2 4,-0.1 -0.691 47.2-153.6 -79.5 98.9 39.0 12.2 8.5 29 29 B F G > S+ 0 0 6 -2,-1.3 3,-1.3 1,-0.3 -1,-0.2 0.817 85.1 53.1 -41.0 -52.2 38.2 8.5 9.0 30 30 B S G 3 S+ 0 0 30 1,-0.3 -1,-0.3 44,-0.2 24,-0.1 0.486 94.6 70.8 -74.7 -0.2 41.7 7.2 9.7 31 31 B H G < S+ 0 0 23 -3,-2.1 2,-0.4 1,-0.1 -1,-0.3 0.285 93.5 67.1 -95.6 11.2 42.3 9.7 12.6 32 32 B F S < S- 0 0 25 -3,-1.3 -1,-0.1 -4,-0.1 19,-0.1 -0.956 75.3-131.9-141.6 123.1 39.8 7.9 14.8 33 33 B T - 0 0 0 -2,-0.4 66,-2.5 19,-0.2 2,-0.5 -0.359 25.6-143.4 -60.6 142.9 39.7 4.6 16.6 34 34 B V E -EF 51 98B 2 17,-2.4 17,-1.9 64,-0.2 64,-0.2 -0.961 8.1-152.8-117.3 121.8 36.4 2.7 16.1 35 35 B H E -EF 50 97B 0 62,-3.5 62,-1.9 -2,-0.5 2,-0.4 -0.598 5.2-145.9 -83.8 154.5 34.8 0.6 18.9 36 36 B W E +EF 49 96B 0 13,-2.9 12,-2.8 -2,-0.2 13,-1.2 -0.991 25.0 172.2-117.2 132.8 32.5 -2.3 18.3 37 37 B V E -EF 47 95B 1 58,-3.1 58,-4.0 -2,-0.4 2,-0.3 -0.986 11.4-163.5-140.8 143.3 29.7 -2.8 20.9 38 38 B R E -EF 46 94B 3 8,-2.7 8,-2.4 -2,-0.3 2,-0.4 -0.966 8.6-156.7-132.8 149.5 26.7 -5.1 21.0 39 39 B Q E - F 0 93B 34 54,-2.9 54,-2.1 -2,-0.3 6,-0.2 -0.855 9.3-161.9-129.8 103.1 23.5 -5.3 23.0 40 40 B A > - 0 0 8 -2,-0.4 3,-1.1 4,-0.4 52,-0.2 -0.360 46.2 -76.7 -69.3 154.8 21.7 -8.6 23.4 41 41 B P T 3 S+ 0 0 55 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 -0.356 115.5 2.7 -62.9 126.7 18.1 -8.5 24.5 42 42 B G T 3 S+ 0 0 82 1,-0.2 2,-0.3 -2,-0.1 -2,-0.1 0.911 112.0 105.0 62.2 45.6 17.7 -7.7 28.2 43 43 B Q S < S- 0 0 122 -3,-1.1 -1,-0.2 191,-0.0 3,-0.1 -0.973 75.2 -94.7-145.7 160.2 21.4 -7.3 28.8 44 44 B R - 0 0 93 -2,-0.3 -4,-0.4 1,-0.1 190,-0.1 -0.402 56.4 -85.8 -66.2 151.1 23.9 -4.6 29.4 45 45 B F - 0 0 11 188,-0.4 187,-0.5 -6,-0.2 2,-0.4 -0.292 48.6-148.3 -46.4 145.5 25.8 -3.2 26.4 46 46 B E E -E 38 0B 50 -8,-2.4 -8,-2.7 185,-0.1 2,-0.3 -0.985 4.9-134.1-134.7 121.0 28.9 -5.3 25.8 47 47 B W E +E 37 0B 15 -2,-0.4 -10,-0.2 183,-0.4 3,-0.1 -0.563 21.0 179.1 -75.6 133.8 32.2 -4.1 24.4 48 48 B M E - 0 0 0 -12,-2.8 13,-2.1 1,-0.4 2,-0.3 0.737 50.0 -78.4-104.4 -31.5 33.7 -6.3 21.7 49 49 B G E -EG 36 60B 0 -13,-1.2 -13,-2.9 11,-0.2 -1,-0.4 -0.914 36.8-112.4 153.4 177.3 36.9 -4.5 20.8 50 50 B W E -EG 35 59B 1 9,-1.8 9,-2.2 -2,-0.3 2,-0.4 -0.972 10.9-152.4-143.8 157.0 38.3 -1.6 18.8 51 51 B I E -EG 34 58B 6 -17,-1.9 -17,-2.4 -2,-0.3 7,-0.2 -0.999 10.0-147.1-130.9 136.6 40.5 -1.0 15.8 52 52 B N E >>> - G 0 57B 0 5,-3.3 4,-2.3 -2,-0.4 3,-0.9 -0.867 8.9-165.3 -97.3 106.4 42.7 2.0 15.1 53 53 B P T 345S+ 0 0 17 0, 0.0 -1,-0.1 0, 0.0 -23,-0.1 0.729 81.2 68.8 -71.3 -9.8 42.6 2.5 11.4 54 54 B Y T 345S+ 0 0 29 1,-0.2 -24,-0.1 489,-0.1 -23,-0.1 0.875 124.6 4.9 -71.2 -35.9 45.6 4.8 11.5 55 55 B N T <45S- 0 0 15 -3,-0.9 492,-0.2 2,-0.1 -1,-0.2 0.285 98.8-112.7-132.7 4.3 48.1 2.0 12.5 56 56 B G T <5 + 0 0 45 -4,-2.3 2,-0.2 1,-0.2 490,-0.0 0.588 60.8 156.3 74.8 9.6 46.0 -1.1 12.4 57 57 B N E < -G 52 0B 38 -5,-0.5 -5,-3.3 485,-0.1 2,-0.3 -0.484 19.6-171.4 -67.0 135.8 46.2 -1.6 16.1 58 58 B K E -G 51 0B 71 -7,-0.2 2,-0.4 -2,-0.2 -7,-0.2 -0.932 16.3-161.3-130.2 153.2 43.3 -3.7 17.6 59 59 B E E -G 50 0B 71 -9,-2.2 -9,-1.8 -2,-0.3 2,-0.4 -1.000 14.3-160.1-132.8 132.9 42.1 -4.6 21.0 60 60 B F E -G 49 0B 25 -2,-0.4 2,-0.3 -11,-0.2 -11,-0.2 -0.905 20.2-123.6-115.4 141.8 39.8 -7.6 21.7 61 61 B S >> - 0 0 27 -13,-2.1 4,-2.3 -2,-0.4 3,-1.6 -0.627 29.0-125.4 -68.4 135.5 37.6 -8.5 24.5 62 62 B A T 34 S+ 0 0 54 -2,-0.3 4,-0.4 1,-0.3 289,-0.1 0.840 110.1 62.5 -49.9 -33.6 38.6 -11.9 25.8 63 63 B K T 34 S+ 0 0 89 1,-0.2 -1,-0.3 2,-0.1 4,-0.1 0.785 118.0 24.0 -68.2 -24.4 35.0 -13.0 25.3 64 64 B F T X> S+ 0 0 0 -3,-1.6 3,-1.6 -16,-0.2 4,-1.3 0.601 88.6 102.4-115.1 -17.1 35.2 -12.4 21.5 65 65 B Q T 3< S+ 0 0 10 -4,-2.3 3,-0.2 1,-0.3 234,-0.2 0.756 85.5 49.0 -40.6 -42.6 38.9 -12.7 20.6 66 66 B D T 34 S+ 0 0 25 -4,-0.4 -1,-0.3 1,-0.2 230,-0.1 0.843 120.7 32.8 -69.2 -36.3 38.5 -16.2 19.1 67 67 B R T <4 S+ 0 0 10 -3,-1.6 17,-2.6 -4,-0.1 2,-0.3 0.418 103.4 76.9-106.3 -3.9 35.5 -15.4 16.9 68 68 B V E < -C 83 0A 0 -4,-1.3 2,-0.4 15,-0.2 15,-0.2 -0.849 46.3-172.1-122.8 149.6 35.8 -11.8 15.8 69 69 B T E -C 82 0A 16 13,-1.7 13,-2.2 -2,-0.3 2,-0.5 -0.995 8.0-159.9-140.9 127.6 37.8 -10.0 13.2 70 70 B F E +C 81 0A 0 -2,-0.4 2,-0.3 11,-0.2 11,-0.2 -0.955 17.1 169.8-110.3 127.2 38.0 -6.2 12.7 71 71 B T E -C 80 0A 50 9,-1.6 9,-2.7 -2,-0.5 2,-0.3 -0.804 17.5-154.5-128.4 170.4 39.2 -4.7 9.4 72 72 B A E -C 79 0A 33 -2,-0.3 2,-0.8 7,-0.2 7,-0.2 -0.942 7.7-162.4-151.0 126.6 39.2 -1.2 8.0 73 73 B D E > > -C 78 0A 58 5,-3.1 3,-2.3 -2,-0.3 5,-1.4 -0.775 12.1-173.6-109.1 85.0 39.2 -0.2 4.4 74 74 B T T 3 5S+ 0 0 73 -2,-0.8 3,-0.4 1,-0.3 -44,-0.2 0.621 78.4 62.7 -66.3 -13.9 40.4 3.4 4.7 75 75 B S T 3 5S+ 0 0 79 1,-0.2 -1,-0.3 3,-0.1 -2,-0.0 0.705 111.7 39.8 -74.2 -22.3 39.8 4.3 0.9 76 76 B A T < 5S- 0 0 16 -3,-2.3 -2,-0.2 2,-0.2 -1,-0.2 0.240 108.4-123.5-107.7 9.1 36.1 3.6 1.5 77 77 B N T 5 + 0 0 56 -3,-0.4 -53,-2.9 -4,-0.2 2,-0.4 0.850 69.0 138.0 50.1 38.4 36.0 5.2 4.9 78 78 B T E < -BC 23 73A 7 -5,-1.4 -5,-3.1 -55,-0.2 2,-0.3 -0.944 43.4-164.8-130.2 133.3 34.7 1.9 6.1 79 79 B A E -BC 22 72A 0 -57,-2.4 -57,-1.7 -2,-0.4 2,-0.3 -0.873 15.6-156.9-108.7 145.2 35.2 -0.3 9.1 80 80 B Y E -BC 21 71A 32 -9,-2.7 -9,-1.6 -2,-0.3 2,-0.4 -0.919 11.3-171.2-125.1 151.9 34.2 -3.9 9.2 81 81 B M E -BC 20 70A 0 -61,-2.5 -61,-3.2 -2,-0.3 2,-0.4 -0.992 7.1-174.8-139.4 129.2 33.3 -6.4 12.0 82 82 B E E -BC 19 69A 49 -13,-2.2 -13,-1.7 -2,-0.4 2,-0.5 -0.991 5.9-167.8-130.8 135.4 32.8 -10.1 11.4 83 83 B L E -BC 18 68A 0 -65,-2.4 -65,-1.9 -2,-0.4 3,-0.3 -0.972 13.2-158.0-125.7 117.5 31.7 -12.7 14.0 84 84 B R + 0 0 17 -17,-2.6 -67,-0.2 -2,-0.5 -68,-0.2 -0.328 62.6 28.8 -90.7 171.0 31.9 -16.4 13.1 85 85 B S S S- 0 0 29 -70,-0.7 -69,-0.2 1,-0.1 -68,-0.2 0.864 79.3-154.4 52.2 50.2 30.2 -19.5 14.5 86 86 B L + 0 0 4 -70,-2.9 -71,-2.1 -3,-0.3 2,-0.3 -0.129 17.8 178.7 -56.3 148.3 27.0 -17.8 15.5 87 87 B R > - 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