==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-JAN-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER IMMUNE SYSTEM 18-APR-10 3MLW . COMPND 2 MOLECULE: HUMAN MONOCLONAL ANTI-HIV-1 GP120 V3 ANTIBODY 100 . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR X.-P.KONG . 920 6 8 8 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 40883.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 589 64.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 26 2.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 355 38.6 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 7 0.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 11 1.2 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 . 1 0.1 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 . 100 10.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 69 7.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 24 2.6 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+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 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 RESIDUES PER ALPHA HELIX . 3 0 0 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 0 0 PARALLEL BRIDGES PER LADDER . 8 9 12 8 7 15 3 1 1 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 3 2 6 2 4 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 Q 0 0 168 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0-112.1 20.1 -8.3 32.2 2 2 L S + 0 0 56 1,-0.1 2,-0.3 100,-0.0 91,-0.0 0.670 360.0 132.7 15.6 78.5 16.2 -8.3 31.6 3 3 L V - 0 0 85 99,-0.1 2,-0.8 20,-0.1 101,-0.1 -0.955 46.9-148.0-150.8 116.7 15.9 -9.4 28.0 4 4 L L B -a 104 0A 1 99,-0.6 101,-2.1 -2,-0.3 2,-0.5 -0.827 27.0-140.4 -89.4 110.7 13.5 -12.1 26.5 5 5 L T B +B 23 0B 79 18,-2.7 18,-2.0 -2,-0.8 99,-0.1 -0.582 26.7 171.9 -84.4 118.8 15.4 -13.5 23.4 6 6 L Q - 0 0 7 -2,-0.5 16,-0.1 16,-0.2 14,-0.0 -0.934 41.1-101.3-119.8 144.4 13.4 -14.3 20.3 7 7 L P - 0 0 44 0, 0.0 101,-0.1 0, 0.0 3,-0.0 -0.442 33.4-127.8 -59.1 134.8 14.7 -15.3 16.8 8 8 L P S S+ 0 0 81 0, 0.0 100,-2.5 0, 0.0 2,-0.3 0.864 83.8 7.6 -53.9 -43.1 14.6 -12.2 14.5 9 9 L S E -e 108 0C 28 98,-0.3 2,-0.3 140,-0.1 100,-0.2 -0.956 60.0-178.5-140.5 154.1 12.6 -14.0 11.8 10 11 L A E -e 109 0C 15 98,-2.7 100,-1.6 -2,-0.3 2,-0.3 -0.975 12.0-159.3-150.2 160.6 10.8 -17.3 11.1 11 12 L S E +e 110 0C 20 -2,-0.3 2,-0.3 98,-0.2 100,-0.2 -0.942 11.6 179.4-145.7 156.1 8.9 -18.8 8.1 12 13 L G E -e 111 0C 1 98,-1.4 100,-1.9 -2,-0.3 3,-0.1 -0.987 30.5-113.8-156.1 148.8 6.4 -21.3 6.8 13 14 L T > - 0 0 62 -2,-0.3 3,-1.5 98,-0.2 66,-0.2 -0.384 59.6 -80.4 -69.5 156.3 4.7 -22.5 3.6 14 15 L P T 3 S+ 0 0 84 0, 0.0 66,-0.2 0, 0.0 -1,-0.1 -0.327 118.5 16.1 -62.0 145.2 0.9 -21.8 3.4 15 16 L G T 3 S+ 0 0 61 64,-3.3 63,-0.5 1,-0.2 65,-0.1 0.264 108.5 107.6 75.3 -13.1 -1.2 -24.3 5.4 16 17 L Q S < S- 0 0 92 -3,-1.5 63,-2.7 63,-0.3 62,-0.6 0.149 70.7-108.3 -76.4-162.0 2.0 -25.4 7.2 17 18 L R E - C 0 77B 146 60,-0.2 2,-0.3 61,-0.2 60,-0.2 -0.979 25.7-171.7-144.0 125.8 3.0 -24.7 10.9 18 19 L V E - C 0 76B 12 58,-1.6 58,-2.7 -2,-0.3 2,-0.4 -0.901 5.8-158.8-117.8 145.4 5.7 -22.4 12.4 19 20 L T E - C 0 75B 60 -2,-0.3 2,-0.5 56,-0.2 56,-0.2 -0.967 3.3-153.8-124.8 145.2 6.9 -22.0 16.0 20 21 L I E - C 0 74B 0 54,-1.4 54,-1.6 -2,-0.4 2,-0.1 -0.949 11.9-143.6-117.1 126.8 8.6 -19.1 17.8 21 22 L S E - C 0 73B 56 -2,-0.5 2,-0.3 52,-0.2 52,-0.2 -0.476 8.8-165.2 -83.7 160.9 10.9 -19.6 20.8 22 23 L a E - C 0 72B 0 50,-1.4 50,-2.0 -2,-0.1 2,-0.5 -0.913 10.9-165.9-147.9 113.1 11.1 -17.1 23.7 23 24 L S E +BC 5 71B 52 -18,-2.0 -18,-2.7 -2,-0.3 48,-0.2 -0.911 21.7 131.3-118.6 128.0 14.0 -17.5 26.0 24 25 L G - 0 0 20 46,-2.4 2,-0.2 -2,-0.5 46,-0.1 -0.220 39.4 -76.3-138.7-134.4 14.5 -15.9 29.4 25 26 L N > > - 0 0 55 -2,-0.1 5,-1.7 44,-0.1 3,-0.5 -0.698 37.6 -99.1-138.4 175.1 15.5 -16.4 33.0 26 27 L S T 3 5S+ 0 0 67 -2,-0.2 5,-0.5 1,-0.2 6,-0.1 0.780 118.9 64.2 -71.7 -26.3 14.5 -17.7 36.5 27 27AL S T 3 5S+ 0 0 14 3,-0.1 67,-2.3 4,-0.1 -1,-0.2 0.666 121.7 9.0 -69.4 -19.3 13.7 -14.0 37.3 28 27BL N T X>5S+ 0 0 0 -3,-0.5 4,-2.0 65,-0.2 3,-0.9 0.280 126.8 20.3-124.4-106.3 10.9 -14.1 34.7 29 28 L I T 345S+ 0 0 0 1,-0.2 -3,-0.2 2,-0.2 42,-0.1 0.676 104.9 72.6 -52.5 -33.0 9.3 -16.8 32.6 30 29 L E T 34 - 0 0 68 -2,-0.5 3,-2.6 4,-0.3 45,-0.1 -0.500 44.1 -78.2 -79.1 148.5 0.1 -6.4 12.0 41 40 L P T 3 S+ 0 0 109 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 -0.237 117.8 4.9 -50.9 122.4 1.9 -3.7 9.9 42 41 L G T 3 S+ 0 0 90 1,-0.2 2,-0.2 -3,-0.1 -2,-0.0 0.355 114.6 104.6 90.8 -2.2 0.6 -0.3 10.9 43 42 L S S < S- 0 0 48 -3,-2.6 -1,-0.2 1,-0.1 3,-0.1 -0.675 73.4 -89.0-127.9 166.9 -1.6 -1.5 13.7 44 43 L T - 0 0 54 -2,-0.2 -4,-0.3 1,-0.1 -6,-0.1 -0.420 52.9-102.3 -68.7 133.7 -2.3 -2.0 17.5 45 44 L P - 0 0 6 0, 0.0 2,-0.4 0, 0.0 -6,-0.2 -0.236 33.7-148.0 -59.2 143.6 -1.0 -5.1 19.1 46 45 L K E -G 38 0C 111 -8,-2.6 -8,-2.4 -3,-0.1 2,-0.4 -0.957 14.5-122.6-116.6 134.8 -3.5 -7.9 19.8 47 46 L L E +G 37 0C 6 -2,-0.4 -10,-0.2 283,-0.4 3,-0.1 -0.644 32.4 171.7 -76.2 123.6 -3.4 -10.2 22.7 48 47 L L E + 0 0 2 -12,-2.7 2,-0.3 -2,-0.4 -11,-0.2 0.746 63.4 7.8-101.9 -39.7 -3.3 -13.8 21.4 49 48 L I E -G 36 0C 0 -13,-1.1 -13,-2.1 6,-0.2 -1,-0.4 -0.992 59.0-167.2-149.0 148.1 -2.6 -15.8 24.6 50 49 L F B > +J 54 0D 5 4,-3.1 4,-2.2 -2,-0.3 3,-0.5 -0.940 67.9 19.8-134.2 154.0 -2.4 -15.2 28.4 51 50 L R T 4 S- 0 0 29 -2,-0.3 2,-1.7 1,-0.2 -1,-0.2 0.933 126.5 -61.0 50.1 55.1 -1.1 -17.2 31.4 52 51 L D T 4 S+ 0 0 35 -18,-2.5 -1,-0.2 1,-0.2 -17,-0.0 -0.345 129.0 9.5 79.9 -54.3 1.0 -19.5 29.2 53 52 L D T 4 S+ 0 0 95 -2,-1.7 2,-0.4 -3,-0.5 12,-0.3 0.239 89.5 112.2-148.5 13.6 -1.6 -21.1 27.1 54 53 L Q B < -J 50 0D 79 -4,-2.2 -4,-3.1 10,-0.1 -2,-0.1 -0.826 47.1-153.1 -98.9 136.2 -5.1 -19.6 27.3 55 54 L R - 0 0 117 -2,-0.4 -6,-0.2 -6,-0.2 4,-0.1 -0.910 20.3-115.3-110.7 130.8 -6.6 -17.7 24.4 56 55 L P > - 0 0 4 0, 0.0 3,-1.7 0, 0.0 2,-0.2 -0.174 46.0 -88.1 -58.3 152.1 -9.1 -14.9 24.7 57 56 L S T 3 S+ 0 0 57 1,-0.3 0, 0.0 0, 0.0 0, 0.0 -0.476 118.9 45.4 -64.9 127.9 -12.6 -15.6 23.2 58 57 L G T 3 S+ 0 0 74 1,-0.3 -1,-0.3 -2,-0.2 0, 0.0 0.193 89.1 107.9 117.2 -8.9 -12.4 -14.5 19.6 59 58 L V S < S- 0 0 21 -3,-1.7 -1,-0.3 -4,-0.1 -4,-0.1 -0.904 70.1-121.5-108.5 123.1 -9.0 -16.2 18.9 60 59 L P > - 0 0 61 0, 0.0 3,-0.8 0, 0.0 -1,-0.0 -0.044 19.9-119.7 -50.4 158.6 -8.8 -19.4 16.8 61 60 L D T 3 S+ 0 0 122 1,-0.2 -2,-0.0 3,-0.0 -6,-0.0 0.257 100.4 84.2 -91.8 12.4 -7.3 -22.6 18.3 62 61 L R T 3 S+ 0 0 33 15,-0.1 15,-2.7 16,-0.1 2,-0.6 0.600 76.8 79.0 -86.2 -13.8 -4.5 -22.7 15.7 63 62 L F E < +D 76 0B 8 -3,-0.8 2,-0.4 13,-0.2 13,-0.2 -0.875 69.9 175.3 -89.2 125.4 -2.7 -20.3 18.0 64 63 L S E -D 75 0B 60 11,-2.1 11,-3.4 -2,-0.6 2,-0.4 -0.999 17.7-151.8-143.2 130.1 -1.3 -22.4 20.8 65 64 L G E +D 74 0B 10 -2,-0.4 2,-0.3 -12,-0.3 9,-0.2 -0.842 15.2 172.2-112.4 141.8 1.0 -21.6 23.7 66 65 L S E -D 73 0B 61 7,-2.0 7,-2.5 -2,-0.4 2,-0.3 -0.964 6.3-174.8-140.9 155.9 3.5 -23.7 25.6 67 66 L K E +D 72 0B 50 -2,-0.3 2,-0.3 5,-0.2 5,-0.2 -0.961 6.9 169.8-151.2 134.2 6.1 -23.2 28.3 68 67 L S E > -D 71 0B 94 3,-2.0 3,-1.4 -2,-0.3 2,-0.1 -0.938 58.2 -44.1-147.3 128.8 8.7 -25.3 29.9 69 68 L G T 3 S- 0 0 42 -2,-0.3 -44,-0.1 1,-0.2 0, 0.0 -0.302 121.8 -5.4 60.8-127.5 11.5 -24.2 32.2 70 69 L T T 3 S+ 0 0 69 -2,-0.1 -46,-2.4 -46,-0.1 2,-0.3 0.377 128.2 48.8 -82.7 3.6 13.5 -21.2 31.2 71 70 L S E < -CD 23 68B 42 -3,-1.4 -3,-2.0 -48,-0.2 2,-0.3 -0.880 58.1-158.1-142.9 171.5 11.7 -20.8 27.8 72 71 L A E -CD 22 67B 2 -50,-2.0 -50,-1.4 -2,-0.3 2,-0.3 -0.964 7.9-146.1-150.8 162.1 8.3 -20.7 25.9 73 72 L S E -CD 21 66B 37 -7,-2.5 -7,-2.0 -2,-0.3 2,-0.6 -0.978 8.1-149.1-138.6 144.8 6.8 -21.3 22.4 74 73 L L E -CD 20 65B 0 -54,-1.6 -54,-1.4 -2,-0.3 2,-0.6 -0.949 18.6-156.9-113.8 112.0 4.1 -20.0 20.1 75 74 L A E -CD 19 64B 15 -11,-3.4 -11,-2.1 -2,-0.6 2,-0.6 -0.789 6.2-169.0 -90.0 122.2 2.6 -22.6 17.8 76 75 L I E -CD 18 63B 0 -58,-2.7 -58,-1.6 -2,-0.6 3,-0.3 -0.917 11.5-172.6-110.4 105.2 0.9 -21.2 14.6 77 76 L S E +C 17 0B 49 -15,-2.7 -60,-0.2 -2,-0.6 3,-0.2 -0.660 61.3 24.5 -94.1 151.2 -1.0 -23.9 12.8 78 77 L G S S- 0 0 28 -62,-0.6 -1,-0.2 -63,-0.5 -62,-0.2 0.946 88.5-138.2 67.3 53.6 -2.7 -23.7 9.4 79 78 L L - 0 0 3 -63,-2.7 -64,-3.3 -3,-0.3 2,-0.3 -0.190 26.3-175.2 -61.2 117.6 -0.5 -20.9 8.2 80 79 L R > - 0 0 124 -66,-0.2 3,-1.8 -3,-0.2 4,-0.2 -0.759 39.1-114.3-110.6 155.3 -2.4 -18.2 6.3 81 80 L S G > S+ 0 0 98 -2,-0.3 3,-0.8 1,-0.3 30,-0.2 0.712 115.7 60.9 -59.5 -22.1 -1.2 -15.1 4.5 82 81 L E G 3 S+ 0 0 120 1,-0.2 -1,-0.3 -42,-0.0 -3,-0.0 0.529 89.4 68.5 -82.8 -9.3 -3.0 -13.0 7.1 83 82 L D G < S+ 0 0 2 -3,-1.8 2,-0.9 2,-0.1 -1,-0.2 0.452 70.5 119.6 -80.5 -2.6 -0.9 -14.4 9.9 84 83 L E < + 0 0 73 -3,-0.8 2,-0.3 -4,-0.2 26,-0.2 -0.538 48.3 99.0 -72.6 102.8 2.0 -12.5 8.4 85 84 L A E S- H 0 109C 6 -2,-0.9 24,-2.8 24,-0.5 2,-0.4 -0.900 75.5 -68.2-164.5-177.6 3.0 -10.2 11.2 86 85 L D E -FH 39 108C 54 -47,-2.1 -47,-2.6 -2,-0.3 2,-0.5 -0.832 42.1-156.8 -94.5 132.5 5.3 -9.4 14.1 87 86 L Y E -FH 38 107C 0 20,-3.1 20,-1.6 -2,-0.4 2,-0.4 -0.954 10.3-176.5-118.2 128.5 5.1 -11.7 17.2 88 87 L Y E -F 37 0C 8 -51,-2.0 -51,-2.7 -2,-0.5 2,-0.2 -0.974 10.3-156.1-121.8 133.4 6.2 -10.7 20.7 89 88 L a E +F 36 0C 0 -2,-0.4 15,-3.1 -53,-0.2 2,-0.3 -0.477 19.2 175.4 -92.4 174.3 6.3 -12.7 23.9 90 89 L A E +FI 35 103C 0 -55,-1.1 -55,-2.3 13,-0.3 2,-0.3 -0.961 11.5 156.3-170.4 162.7 6.2 -11.2 27.4 91 90 L S E -FI 34 102C 0 11,-1.4 11,-1.7 -2,-0.3 2,-0.5 -0.925 45.7 -71.2-172.9-170.7 6.0 -11.9 31.2 92 91 L W E - I 0 101C 0 -59,-0.7 2,-0.5 360,-0.3 9,-0.2 -0.879 33.1-156.2-105.6 127.4 6.8 -10.4 34.6 93 92 L D E - I 0 100C 1 7,-2.6 7,-1.9 -2,-0.5 -65,-0.2 -0.892 9.4-176.5 -99.9 134.9 10.4 -9.9 35.8 94 93 L D + 0 0 38 -67,-2.3 -66,-0.1 -2,-0.5 -1,-0.1 0.099 43.1 123.3-117.8 21.1 10.8 -9.8 39.6 95 94 L S S S+ 0 0 73 -68,-0.1 2,-0.2 2,-0.1 -1,-0.1 0.800 82.3 46.6 -45.6 -34.2 14.6 -9.1 39.9 96 95 L R S S- 0 0 100 2,-0.4 2,-0.6 -3,-0.2 4,-0.1 -0.521 114.9 -85.2-105.6 177.8 13.4 -6.0 41.8 97 95AL G S S+ 0 0 74 -2,-0.2 -2,-0.1 2,-0.1 -3,-0.1 0.166 102.0 41.4 -76.2 24.4 10.8 -5.8 44.6 98 95BL G S S- 0 0 2 -2,-0.6 2,-1.0 -5,-0.1 -2,-0.4 -0.921 94.4 -69.0-160.3 175.8 7.9 -5.6 42.2 99 95CL P + 0 0 0 0, 0.0 2,-0.4 0, 0.0 -5,-0.2 -0.690 45.0 178.3 -87.5 91.0 6.0 -6.6 39.0 100 95DL D E -I 93 0C 7 -7,-1.9 -7,-2.6 -2,-1.0 2,-0.3 -0.784 20.0-141.4 -89.6 133.7 7.9 -5.4 35.9 101 96 L Y E -I 92 0C 4 -2,-0.4 2,-0.3 -9,-0.2 -9,-0.2 -0.669 20.8-173.5 -90.4 149.4 6.5 -6.2 32.5 102 97 L V E -I 91 0C 18 -11,-1.7 -11,-1.4 -2,-0.3 2,-0.4 -0.985 12.1-149.8-146.4 134.7 8.9 -7.2 29.7 103 98 L F E -I 90 0C 17 -2,-0.3 -99,-0.6 158,-0.2 -13,-0.3 -0.828 24.7-112.9-102.2 145.2 8.5 -7.9 26.0 104 99 L G B -a 4 0A 3 -15,-3.1 157,-0.3 -2,-0.4 -99,-0.2 -0.160 36.0 -99.2 -63.3 168.7 10.6 -10.2 23.9 105 100 L T - 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