==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=8-JAN-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER IMMUNE SYSTEM 07-NOV-11 3UJJ . COMPND 2 MOLECULE: LIGHT CHAIN OF ANTI-HIV-1 V3 MONOCLONAL ANTIBODY . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR X.P.KONG,J.SAMPSON . 460 3 5 4 1 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 20442.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 277 60.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 11 2.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 171 37.2 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 5 1.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 4 0.9 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-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 . 35 7.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 39 8.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 12 2.6 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+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 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 . 1 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 0 0 PARALLEL BRIDGES PER LADDER . 5 3 8 3 5 6 1 1 1 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 . 1 0 4 2 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 S 0 0 124 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 171.3 -1.9 78.8 -8.5 2 2 L Y - 0 0 34 1,-0.1 2,-0.3 22,-0.0 89,-0.1 -0.145 360.0-175.7 -52.0 132.1 0.2 77.4 -11.4 3 3 L E - 0 0 113 95,-0.1 2,-0.5 20,-0.0 22,-0.3 -0.965 21.1-143.9-130.9 147.3 -1.3 74.2 -13.1 4 4 L L B -a 100 0A 2 95,-0.5 97,-1.2 -2,-0.3 2,-0.4 -0.957 23.2-143.6-110.1 125.5 -0.1 71.9 -15.8 5 5 L T B +B 23 0B 69 18,-3.1 18,-2.4 -2,-0.5 95,-0.1 -0.728 22.7 171.2 -97.4 136.3 -2.9 70.6 -18.1 6 6 L Q - 0 0 8 -2,-0.4 16,-0.1 16,-0.2 14,-0.0 -0.982 39.9-105.1-134.0 149.0 -3.0 67.0 -19.5 7 7 L P - 0 0 45 0, 0.0 3,-0.1 0, 0.0 97,-0.1 -0.532 30.0-137.3 -68.2 141.0 -5.6 65.1 -21.4 8 8 L P S S+ 0 0 96 0, 0.0 96,-3.0 0, 0.0 2,-0.4 0.782 79.9 35.8 -72.3 -23.6 -7.1 62.5 -19.0 9 9 L S E +e 104 0C 94 94,-0.2 2,-0.4 96,-0.0 96,-0.2 -0.991 52.0 169.4-141.2 128.6 -7.2 59.6 -21.5 10 11 L V E -e 105 0C 26 94,-2.3 96,-2.8 -2,-0.4 2,-0.4 -0.997 15.3-165.7-133.0 135.4 -5.1 58.4 -24.3 11 12 L S E +e 106 0C 75 -2,-0.4 2,-0.3 94,-0.2 96,-0.2 -0.972 11.6 166.4-123.1 140.6 -5.6 54.9 -26.0 12 13 L V E -e 107 0C 9 94,-2.6 96,-2.9 -2,-0.4 6,-0.1 -0.980 31.4-122.5-143.9 158.4 -3.4 53.0 -28.3 13 14 L S > - 0 0 47 -2,-0.3 3,-2.2 94,-0.2 64,-0.2 -0.702 53.5 -81.2 -90.5 153.5 -3.0 49.5 -29.8 14 15 L P T 3 S+ 0 0 66 0, 0.0 64,-0.2 0, 0.0 -1,-0.1 -0.265 119.8 25.0 -54.2 136.4 0.3 47.6 -29.2 15 16 L G T 3 S+ 0 0 57 62,-2.6 61,-0.5 1,-0.4 63,-0.1 0.175 100.6 111.3 91.7 -18.6 3.0 48.8 -31.7 16 17 L Q S < S- 0 0 103 -3,-2.2 61,-3.1 61,-0.2 2,-0.5 -0.371 72.8-105.6 -84.0 170.4 1.3 52.1 -32.2 17 18 L T - 0 0 54 59,-0.2 2,-0.4 58,-0.2 58,-0.2 -0.838 28.4-160.6 -99.4 123.9 2.7 55.5 -31.0 18 19 L A E - C 0 74B 1 56,-2.6 56,-3.5 -2,-0.5 2,-0.4 -0.871 3.6-164.1-102.0 139.1 1.1 57.2 -28.0 19 20 L R E - C 0 73B 155 -2,-0.4 2,-0.5 54,-0.2 54,-0.2 -0.985 2.5-168.9-123.9 131.0 1.6 61.0 -27.5 20 21 L I E - C 0 72B 0 52,-3.1 52,-3.2 -2,-0.4 2,-0.2 -0.980 10.1-154.7-124.1 119.7 0.9 62.7 -24.1 21 22 L T E - C 0 71B 44 -2,-0.5 2,-0.4 50,-0.2 50,-0.2 -0.645 9.6-168.6 -98.8 155.7 0.8 66.5 -23.9 22 23 L a E - C 0 70B 1 48,-2.2 48,-2.8 -2,-0.2 2,-0.4 -0.985 11.8-169.2-141.4 123.9 1.4 68.8 -20.9 23 24 L S E +BC 5 69B 37 -18,-2.4 -18,-3.1 -2,-0.4 2,-0.3 -0.950 18.9 139.7-126.3 138.1 0.5 72.5 -21.1 24 25 L G > - 0 0 11 44,-1.8 3,-1.1 -2,-0.4 -20,-0.1 -0.924 51.6-118.3-169.1 150.0 1.3 75.5 -18.9 25 26 L D T 3 S+ 0 0 130 -22,-0.3 44,-0.1 -2,-0.3 -21,-0.1 0.544 110.6 55.5 -75.1 -5.0 2.3 79.1 -19.3 26 27 L A T >> S+ 0 0 6 1,-0.1 3,-1.7 42,-0.1 4,-1.0 0.560 82.5 89.5 -99.2 -12.7 5.6 78.7 -17.5 27 28 L L T <4 + 0 0 0 -3,-1.1 40,-0.2 1,-0.3 -1,-0.1 0.709 66.7 76.4 -57.4 -26.6 6.9 75.9 -19.7 28 29 L P T 34 S+ 0 0 58 0, 0.0 -1,-0.3 0, 0.0 39,-0.2 0.802 115.9 19.2 -57.7 -22.5 8.5 78.2 -22.3 29 30 L E T <4 S+ 0 0 112 -3,-1.7 2,-0.4 2,-0.1 -2,-0.2 0.457 114.6 76.9-121.7 -5.6 11.4 78.7 -19.8 30 31 L K S < S- 0 0 6 -4,-1.0 423,-0.3 423,-0.2 62,-0.0 -0.898 77.8-112.8-116.9 136.3 11.1 75.7 -17.4 31 32 L Y - 0 0 34 421,-2.2 59,-0.4 -2,-0.4 2,-0.3 -0.277 26.0-137.5 -56.6 145.9 12.1 72.1 -17.9 32 33 L A - 0 0 0 57,-0.1 18,-2.8 -5,-0.1 2,-0.3 -0.777 16.6-167.5-100.3 151.5 9.5 69.4 -18.1 33 34 L Y E -F 88 0C 1 55,-1.8 55,-1.1 -2,-0.3 2,-0.4 -0.957 7.9-146.8-133.0 152.2 9.8 66.0 -16.3 34 35 L W E -FG 87 47C 0 13,-2.8 12,-2.7 -2,-0.3 13,-1.6 -0.976 9.1-168.2-127.3 137.5 7.7 62.9 -16.8 35 36 L Y E -FG 86 45C 0 51,-2.7 51,-2.4 -2,-0.4 2,-0.4 -0.963 9.0-151.4-122.3 141.7 6.7 60.2 -14.3 36 37 L Q E -FG 85 44C 24 8,-2.7 8,-2.1 -2,-0.4 2,-0.4 -0.914 12.4-172.9-106.6 132.9 5.1 56.8 -15.0 37 38 L Q E -F 84 0C 11 47,-3.2 47,-2.7 -2,-0.4 2,-0.2 -0.922 5.3-161.4-131.6 114.8 2.9 55.2 -12.4 38 39 L K > - 0 0 56 -2,-0.4 3,-2.4 4,-0.4 45,-0.1 -0.526 43.5 -77.0 -84.8 154.7 1.6 51.7 -12.7 39 40 L S T 3 S+ 0 0 123 1,-0.3 -1,-0.1 -2,-0.2 3,-0.1 -0.263 118.7 7.4 -49.7 127.2 -1.4 50.4 -10.7 40 41 L G T 3 S+ 0 0 87 1,-0.2 -1,-0.3 -3,-0.1 2,-0.3 0.449 113.0 102.5 79.5 1.9 -0.3 49.7 -7.2 41 42 L Q S < S- 0 0 105 -3,-2.4 -1,-0.2 1,-0.1 3,-0.1 -0.753 73.2-106.0-121.0 161.9 3.1 51.1 -7.6 42 43 L A - 0 0 26 -2,-0.3 -4,-0.4 1,-0.1 288,-0.1 -0.425 52.2 -88.4 -77.0 158.7 5.1 54.3 -6.7 43 44 L P - 0 0 2 0, 0.0 2,-0.4 0, 0.0 -6,-0.2 -0.316 38.9-152.3 -67.0 156.0 5.9 56.7 -9.5 44 45 L V E -G 36 0C 60 -8,-2.1 -8,-2.7 -3,-0.1 2,-0.4 -0.997 17.5-121.1-130.9 131.4 9.1 56.3 -11.6 45 46 L L E +G 35 0C 8 -2,-0.4 -10,-0.2 280,-0.3 3,-0.1 -0.588 38.2 163.2 -70.5 123.2 11.0 59.1 -13.3 46 47 L I E + 0 0 2 -12,-2.7 2,-0.3 -2,-0.4 -11,-0.2 0.650 63.8 23.3-115.7 -23.4 11.1 58.3 -17.0 47 48 L I E -G 34 0C 0 -13,-1.6 -13,-2.8 6,-0.2 -1,-0.4 -0.990 61.4-179.4-144.0 134.7 12.1 61.7 -18.6 48 49 L Y B >> +J 52 0D 14 4,-2.4 4,-2.2 -2,-0.3 3,-0.6 -0.962 67.2 17.5-131.7 153.7 13.9 64.7 -17.0 49 50 L E T 34 S- 0 0 27 -2,-0.3 2,-1.9 1,-0.3 -16,-0.2 0.924 124.7 -67.2 50.3 53.5 14.9 68.0 -18.6 50 51 L D T 34 S+ 0 0 22 -18,-2.8 -1,-0.3 1,-0.2 21,-0.1 -0.248 128.7 17.5 75.9 -47.9 12.5 67.7 -21.5 51 52 L S T <4 S+ 0 0 66 -2,-1.9 2,-0.4 -3,-0.6 12,-0.3 0.367 87.1 114.9-142.7 -0.1 14.1 64.8 -23.3 52 53 L K B < -J 48 0D 83 -4,-2.2 -4,-2.4 10,-0.1 -2,-0.1 -0.717 45.5-152.2 -95.0 129.3 16.6 62.8 -21.1 53 54 L R - 0 0 94 -2,-0.4 -6,-0.2 -6,-0.2 2,-0.1 -0.809 15.9-129.7 -93.4 130.5 16.0 59.2 -20.2 54 55 L P > - 0 0 25 0, 0.0 3,-1.8 0, 0.0 263,-0.0 -0.462 47.2 -85.0 -65.3 153.6 17.5 57.8 -16.9 55 56 L S T 3 S+ 0 0 128 1,-0.2 261,-0.0 -2,-0.1 262,-0.0 -0.323 118.0 36.1 -64.1 143.1 19.4 54.6 -17.6 56 57 L G T 3 S+ 0 0 76 1,-0.4 -1,-0.2 -3,-0.1 -3,-0.0 0.170 88.2 115.6 98.1 -18.1 17.2 51.5 -17.6 57 58 L I S < S- 0 0 33 -3,-1.8 -1,-0.4 1,-0.1 -4,-0.1 -0.764 74.5-111.5 -84.3 127.3 14.4 53.4 -19.2 58 59 L P > - 0 0 49 0, 0.0 3,-1.9 0, 0.0 -1,-0.1 -0.228 16.0-122.8 -63.6 145.9 13.6 52.0 -22.7 59 60 L E T 3 S+ 0 0 164 1,-0.3 16,-0.1 15,-0.0 -2,-0.0 0.643 102.5 80.1 -66.6 -14.9 14.4 54.2 -25.7 60 61 L R T 3 S+ 0 0 48 14,-0.1 15,-2.6 16,-0.1 2,-0.6 0.685 80.3 80.2 -66.6 -16.3 10.7 54.0 -26.9 61 62 L F E < +D 74 0B 5 -3,-1.9 2,-0.3 13,-0.2 13,-0.2 -0.835 61.9 159.6 -88.7 119.8 10.1 56.8 -24.3 62 63 L S E -D 73 0B 43 11,-2.4 11,-3.4 -2,-0.6 2,-0.3 -0.946 17.8-162.8-136.1 163.0 11.0 60.2 -25.6 63 64 L G E +D 72 0B 13 -2,-0.3 2,-0.3 -12,-0.3 9,-0.2 -0.970 8.2 178.9-143.3 155.8 10.1 63.7 -24.7 64 65 L S E -D 71 0B 65 7,-1.8 7,-2.5 -2,-0.3 2,-0.3 -0.957 10.4-155.4-147.4 165.9 10.2 67.3 -26.1 65 66 L R E +D 70 0B 45 -2,-0.3 2,-0.3 5,-0.3 5,-0.3 -0.987 15.6 165.8-145.2 137.1 9.2 70.8 -25.0 66 67 L S E > -D 69 0B 96 3,-3.2 3,-1.6 -2,-0.3 2,-0.1 -0.896 60.1 -42.4-154.9 122.3 8.4 73.8 -27.0 67 68 L G T 3 S- 0 0 39 -2,-0.3 -1,-0.0 1,-0.3 -43,-0.0 -0.391 125.3 -11.2 59.5-127.3 6.6 77.0 -25.9 68 69 L T T 3 S+ 0 0 77 -41,-0.1 -44,-1.8 -2,-0.1 2,-0.4 0.251 124.9 72.7 -90.4 14.6 3.7 76.2 -23.6 69 70 L M E < -CD 23 66B 76 -3,-1.6 -3,-3.2 -46,-0.2 2,-0.4 -0.985 50.6-171.5-137.0 139.3 3.7 72.5 -24.3 70 71 L A E -CD 22 65B 0 -48,-2.8 -48,-2.2 -2,-0.4 2,-0.4 -0.950 16.6-156.2-120.1 146.9 5.7 69.4 -23.5 71 72 L T E -CD 21 64B 25 -7,-2.5 -7,-1.8 -2,-0.4 2,-0.5 -0.987 9.9-157.9-130.8 128.9 5.1 66.1 -25.1 72 73 L L E -CD 20 63B 0 -52,-3.2 -52,-3.1 -2,-0.4 2,-0.5 -0.903 17.6-162.6 -98.3 130.2 5.8 62.5 -24.0 73 74 L T E -CD 19 62B 23 -11,-3.4 -11,-2.4 -2,-0.5 2,-0.6 -0.954 11.6-166.8-117.7 130.0 6.0 60.1 -26.8 74 75 L I E > -CD 18 61B 0 -56,-3.5 -56,-2.6 -2,-0.5 3,-0.5 -0.913 14.7-162.2-114.4 101.6 5.8 56.3 -26.4 75 76 L S T 3 S+ 0 0 50 -15,-2.6 -58,-0.2 -2,-0.6 -59,-0.1 -0.551 71.6 8.9 -80.4 149.4 6.8 54.6 -29.7 76 77 L G T 3 S- 0 0 33 -61,-0.5 -1,-0.2 -2,-0.2 -59,-0.2 0.908 93.1-141.0 47.5 55.1 5.8 51.0 -30.3 77 78 L A < - 0 0 2 -61,-3.1 -62,-2.6 -3,-0.5 2,-0.3 -0.092 14.6-152.2 -51.2 135.3 3.6 50.9 -27.3 78 79 L Q > - 0 0 91 -64,-0.2 3,-2.1 -3,-0.1 4,-0.2 -0.759 26.9-113.0-107.6 157.8 3.7 47.7 -25.3 79 80 L V G > S+ 0 0 88 -2,-0.3 3,-1.4 1,-0.3 28,-0.2 0.864 117.9 57.7 -54.1 -37.6 0.9 46.2 -23.1 80 81 L D G 3 S+ 0 0 78 1,-0.3 -1,-0.3 -42,-0.0 -3,-0.0 0.458 89.6 73.9 -76.0 -0.5 3.1 46.8 -20.1 81 82 L D G < + 0 0 2 -3,-2.1 2,-0.4 2,-0.0 -1,-0.3 0.506 65.4 117.4 -87.8 -6.5 3.3 50.6 -20.9 82 83 L E < + 0 0 42 -3,-1.4 2,-0.3 -4,-0.2 24,-0.2 -0.495 45.7 108.0 -63.5 121.6 -0.3 51.0 -19.7 83 84 L A E S- H 0 105C 3 22,-1.1 22,-2.8 -2,-0.4 2,-0.4 -0.968 73.9 -76.3-174.7 172.0 -0.1 53.3 -16.7 84 85 L D E -FH 37 104C 51 -47,-2.7 -47,-3.2 -2,-0.3 2,-0.4 -0.798 42.9-157.7 -86.7 138.4 -0.8 56.8 -15.5 85 86 L Y E -FH 36 103C 0 18,-2.6 18,-2.2 -2,-0.4 2,-0.4 -0.984 7.5-169.8-122.3 130.1 1.7 59.4 -16.8 86 87 L Y E -F 35 0C 10 -51,-2.4 -51,-2.7 -2,-0.4 2,-0.1 -0.962 10.4-149.9-120.6 127.2 2.3 62.7 -15.0 87 88 L a E -F 34 0C 0 -2,-0.4 13,-2.7 -53,-0.2 2,-0.3 -0.428 18.7-165.8 -84.8 173.6 4.3 65.7 -16.3 88 89 L Y E +FI 33 99C 1 -55,-1.1 -55,-1.8 11,-0.3 2,-0.3 -0.966 18.9 140.2-165.9 137.5 6.0 67.9 -13.8 89 90 L S E - 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