==== 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 3MLX . COMPND 2 MOLECULE: HUMAN MONOCLONAL ANTI-HIV-1 GP120 V3 ANTIBODY 307 . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR X.-P.KONG . 906 6 8 8 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 38541.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 586 64.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 20 2.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 357 39.4 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 . 10 1.1 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-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 . 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 . 95 10.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 74 8.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 27 3.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 11 1.2 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 3 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 2 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 0 PARALLEL BRIDGES PER LADDER . 10 4 16 4 8 17 3 2 2 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 2 L S 0 0 121 0, 0.0 100,-0.1 0, 0.0 99,-0.1 0.000 360.0 360.0 360.0 166.9 11.8 -27.0 11.3 2 3 L V + 0 0 49 97,-0.1 2,-0.4 1,-0.1 98,-0.1 0.921 360.0 44.5 -62.5 -47.1 9.0 -27.9 13.8 3 4 L L B S-a 100 0A 0 96,-0.5 98,-0.5 85,-0.1 2,-0.4 -0.856 78.0-158.3-102.6 136.2 6.2 -26.5 11.6 4 5 L T B +B 22 0B 75 18,-2.5 18,-3.6 -2,-0.4 96,-0.1 -0.944 14.2 172.2-120.0 135.5 6.2 -27.2 7.8 5 6 L Q - 0 0 16 -2,-0.4 16,-0.1 16,-0.2 96,-0.1 -0.940 42.8 -97.1-133.4 154.5 4.6 -25.4 5.0 6 7 L P - 0 0 46 0, 0.0 98,-0.1 0, 0.0 3,-0.1 -0.513 36.3-125.9 -69.5 140.6 4.8 -25.7 1.2 7 8 L P S S+ 0 0 78 0, 0.0 97,-2.7 0, 0.0 2,-0.3 0.823 82.9 10.5 -58.7 -29.6 7.3 -23.1 -0.0 8 9 L S E -e 104 0C 42 95,-0.3 2,-0.3 137,-0.1 97,-0.2 -0.999 52.3-179.1-155.8 152.5 4.9 -21.7 -2.6 9 11 L V E +e 105 0C 30 95,-2.4 97,-2.3 -2,-0.3 2,-0.3 -0.972 13.8 178.5-143.0 151.7 1.3 -21.6 -3.8 10 12 L S E +e 106 0C 27 -2,-0.3 2,-0.3 95,-0.2 97,-0.2 -0.994 9.3 162.4-156.5 156.8 -0.3 -19.7 -6.7 11 13 L A E -e 107 0C 13 95,-1.5 97,-1.8 -2,-0.3 3,-0.1 -0.951 43.7 -85.6-164.6 166.0 -3.6 -19.2 -8.5 12 14 L A > - 0 0 42 -2,-0.3 3,-2.2 95,-0.2 66,-0.3 -0.415 60.1 -82.2 -79.0 157.5 -5.1 -16.6 -10.9 13 15 L P T 3 S+ 0 0 76 0, 0.0 66,-0.2 0, 0.0 -1,-0.1 -0.326 120.5 29.3 -60.1 141.4 -6.8 -13.5 -9.5 14 16 L G T 3 S+ 0 0 56 64,-2.1 63,-0.4 1,-0.4 65,-0.1 0.238 102.2 107.9 92.8 -14.4 -10.3 -14.3 -8.5 15 17 L Q < - 0 0 110 -3,-2.2 63,-2.8 62,-0.1 -1,-0.4 -0.285 64.7-122.9 -88.1 178.3 -9.4 -17.9 -7.7 16 18 L K - 0 0 136 60,-0.2 2,-0.3 61,-0.2 60,-0.2 -0.892 24.6-177.9-123.7 154.3 -9.0 -19.5 -4.3 17 19 L V E - C 0 75B 15 58,-2.5 58,-2.6 -2,-0.3 2,-0.3 -0.930 14.8-144.9-144.6 166.7 -6.1 -21.3 -2.6 18 20 L T E - C 0 74B 91 -2,-0.3 2,-0.4 56,-0.2 56,-0.2 -0.963 7.6-153.5-133.1 150.3 -5.2 -23.2 0.6 19 21 L I E - C 0 73B 0 54,-2.2 54,-2.2 -2,-0.3 2,-0.2 -0.987 14.9-141.7-129.6 121.1 -1.9 -23.3 2.5 20 22 L S E - C 0 72B 69 -2,-0.4 2,-0.4 52,-0.2 52,-0.2 -0.505 9.9-165.5 -82.8 149.2 -1.0 -26.3 4.7 21 23 L a E - C 0 71B 1 50,-1.8 50,-2.1 -2,-0.2 2,-0.6 -0.928 12.0-159.3-135.5 104.0 0.8 -26.1 8.0 22 24 L S E +BC 4 70B 66 -18,-3.6 -18,-2.5 -2,-0.4 48,-0.2 -0.788 26.1 146.7 -92.9 121.2 2.1 -29.5 9.1 23 25 L G - 0 0 15 46,-2.0 2,-0.3 -2,-0.6 46,-0.1 -0.218 31.3-124.5-125.0-145.7 2.9 -29.9 12.8 24 26 L S > > - 0 0 46 -2,-0.1 5,-2.1 44,-0.1 3,-1.8 -0.927 41.4 -75.4-158.4-179.8 2.8 -32.6 15.5 25 27 L S T 3 5S+ 0 0 85 -2,-0.3 43,-0.0 1,-0.3 -1,-0.0 0.777 122.4 63.1 -57.6 -26.8 1.4 -33.6 18.9 26 27AL S T 3 5S+ 0 0 46 3,-0.1 67,-2.4 4,-0.1 -1,-0.3 0.650 122.9 6.5 -75.1 -15.6 4.0 -31.3 20.5 27 27BL N T X>5S+ 0 0 0 -3,-1.8 4,-2.5 65,-0.2 3,-2.1 0.437 134.9 24.8-127.1 -89.4 2.5 -28.2 18.9 28 28 L I T 345S+ 0 0 0 1,-0.3 -3,-0.2 41,-0.2 42,-0.1 0.824 116.0 64.8 -53.5 -34.0 -0.7 -28.0 16.8 29 29 L G T 34 - 0 0 70 -2,-0.5 3,-2.4 4,-0.4 45,-0.1 -0.847 46.3 -98.5 -92.3 124.9 4.9 -8.1 2.5 40 40 L P T 3 S+ 0 0 123 0, 0.0 3,-0.1 0, 0.0 -1,-0.1 -0.135 110.9 29.9 -46.4 130.2 8.7 -8.0 2.1 41 41 L G T 3 S+ 0 0 69 1,-0.3 2,-0.3 -3,-0.0 -3,-0.0 0.159 112.0 75.1 104.3 -18.0 10.1 -4.9 3.8 42 42 L T S < S- 0 0 74 -3,-2.4 -1,-0.3 1,-0.1 3,-0.1 -0.840 86.9 -87.7-126.3 164.3 7.4 -4.7 6.4 43 43 L A - 0 0 23 -2,-0.3 -4,-0.4 1,-0.1 -6,-0.1 -0.252 51.0 -92.5 -68.6 152.1 6.4 -6.6 9.6 44 44 L P - 0 0 4 0, 0.0 2,-0.4 0, 0.0 -6,-0.2 -0.264 40.0-142.4 -60.4 154.3 4.2 -9.7 9.7 45 45 L K E -G 37 0C 102 -8,-1.7 -8,-2.0 -3,-0.1 2,-0.2 -0.987 16.5-114.7-125.4 129.4 0.5 -9.0 10.2 46 46 L L E +G 36 0C 12 -2,-0.4 -10,-0.2 281,-0.3 3,-0.1 -0.448 41.2 163.0 -64.3 124.7 -1.8 -11.1 12.2 47 47 L L E + 0 0 2 -12,-3.2 2,-0.3 1,-0.4 -11,-0.2 0.744 64.1 12.6-107.9 -43.6 -4.5 -12.7 9.9 48 48 L I E +G 35 0C 1 -13,-1.2 -13,-2.5 6,-0.2 -1,-0.4 -0.989 60.6 179.7-140.0 145.1 -5.9 -15.6 12.0 49 49 L Y B > +J 53 0D 44 4,-2.4 4,-2.5 -2,-0.3 3,-0.5 -0.947 66.5 27.9-141.7 160.9 -5.6 -16.6 15.7 50 50 L E T 4 S- 0 0 16 -2,-0.3 2,-2.3 1,-0.3 -16,-0.2 0.915 125.6 -71.2 50.5 47.5 -7.1 -19.4 17.8 51 51 L N T 4 S+ 0 0 27 -18,-2.6 -1,-0.3 1,-0.2 21,-0.2 -0.176 128.1 16.4 69.3 -45.3 -7.1 -21.6 14.6 52 52 L S T 4 S+ 0 0 72 -2,-2.3 12,-0.3 -3,-0.5 2,-0.3 0.406 88.2 117.3-140.2 1.6 -10.0 -19.8 12.9 53 53 L K B < -J 49 0D 100 -4,-2.5 -4,-2.4 10,-0.1 -2,-0.1 -0.595 47.9-148.7 -83.0 139.7 -10.7 -16.4 14.4 54 54 L R - 0 0 109 -2,-0.3 -6,-0.2 -6,-0.2 3,-0.1 -0.889 12.1-133.7-107.7 124.1 -10.2 -13.3 12.3 55 55 L P > - 0 0 25 0, 0.0 3,-1.8 0, 0.0 2,-0.1 -0.355 42.7 -78.8 -72.8 162.2 -9.1 -10.0 13.9 56 56 L S T 3 S+ 0 0 116 1,-0.2 0, 0.0 -2,-0.0 0, 0.0 -0.355 118.4 32.3 -60.2 133.8 -10.9 -6.8 13.0 57 57 L G T 3 S+ 0 0 65 1,-0.3 -1,-0.2 -3,-0.1 -3,-0.0 0.118 89.3 109.2 106.5 -21.5 -9.8 -5.4 9.7 58 58 L I S < S- 0 0 10 -3,-1.8 -1,-0.3 -11,-0.1 4,-0.0 -0.807 72.0-121.5 -92.4 121.3 -9.1 -8.8 8.0 59 59 L P > - 0 0 56 0, 0.0 3,-1.7 0, 0.0 -1,-0.0 -0.231 18.2-115.7 -61.9 149.4 -11.6 -9.6 5.3 60 60 L D T 3 S+ 0 0 124 1,-0.3 -2,-0.0 -6,-0.0 -6,-0.0 0.513 104.9 82.1 -63.7 -6.6 -13.7 -12.8 5.6 61 61 L R T 3 S+ 0 0 39 15,-0.1 15,-2.3 14,-0.1 2,-0.5 0.528 81.9 75.4 -77.6 -2.7 -12.1 -14.2 2.4 62 62 L F E < +D 75 0B 6 -3,-1.7 2,-0.3 13,-0.2 13,-0.2 -0.931 67.5 167.7-105.9 130.0 -9.3 -15.2 4.7 63 63 L S E -D 74 0B 61 11,-2.4 11,-2.8 -2,-0.5 2,-0.3 -0.954 19.6-156.5-141.5 160.9 -10.1 -18.2 6.9 64 64 L G E +D 73 0B 10 -12,-0.3 2,-0.3 -2,-0.3 9,-0.2 -0.989 10.8 174.0-140.0 148.9 -8.3 -20.7 9.1 65 65 L S E -D 72 0B 63 7,-2.0 7,-3.1 -2,-0.3 2,-0.4 -0.975 13.7-152.6-148.8 158.8 -9.0 -24.2 10.3 66 66 L R E +D 71 0B 100 -2,-0.3 2,-0.3 5,-0.3 5,-0.3 -0.994 12.7 175.5-136.5 140.3 -7.1 -26.9 12.3 67 67 L S E > -D 70 0B 89 3,-2.8 3,-2.0 -2,-0.4 2,-0.4 -0.941 61.1 -40.0-149.0 123.9 -7.5 -30.7 12.2 68 68 L G T 3 S- 0 0 48 -2,-0.3 -44,-0.1 1,-0.3 -2,-0.0 -0.446 124.5 -23.6 63.4-117.6 -5.5 -33.2 14.1 69 69 L T T 3 S+ 0 0 61 -2,-0.4 -46,-2.0 -46,-0.1 2,-0.3 -0.028 125.7 76.2-116.7 28.9 -1.9 -32.0 14.1 70 70 L S E < -CD 22 67B 50 -3,-2.0 -3,-2.8 -48,-0.2 2,-0.3 -0.916 58.1-158.6-134.7 160.4 -2.2 -29.8 10.9 71 71 L A E -CD 21 66B 1 -50,-2.1 -50,-1.8 -2,-0.3 2,-0.4 -0.910 5.9-148.4-136.3 163.2 -3.8 -26.4 10.1 72 72 L T E -CD 20 65B 44 -7,-3.1 -7,-2.0 -2,-0.3 2,-0.5 -0.995 5.6-157.7-142.1 134.9 -5.0 -24.7 7.0 73 73 L L E -CD 19 64B 0 -54,-2.2 -54,-2.2 -2,-0.4 2,-0.4 -0.941 17.9-163.2-108.1 127.3 -5.2 -21.1 5.7 74 74 L G E -CD 18 63B 9 -11,-2.8 -11,-2.4 -2,-0.5 2,-0.4 -0.924 7.3-170.9-114.7 137.6 -7.7 -20.5 3.0 75 75 L I E -CD 17 62B 0 -58,-2.6 -58,-2.5 -2,-0.4 2,-0.3 -0.978 6.1-170.1-130.9 119.4 -7.8 -17.4 0.7 76 76 L I + 0 0 83 -15,-2.3 -60,-0.2 -2,-0.4 -61,-0.1 -0.750 64.5 20.1-105.7 152.9 -10.8 -16.8 -1.6 77 77 L G S S- 0 0 27 -63,-0.4 -1,-0.2 -2,-0.3 -61,-0.2 0.944 85.2-140.8 56.5 54.7 -11.1 -14.2 -4.3 78 78 L L - 0 0 5 -63,-2.8 -64,-2.1 -3,-0.3 2,-0.3 -0.096 20.7-170.3 -48.9 137.6 -7.4 -13.6 -4.8 79 79 L Q > - 0 0 107 -66,-0.2 3,-2.4 -65,-0.1 4,-0.3 -0.922 36.7-111.8-127.9 152.7 -6.3 -10.1 -5.5 80 80 L T G > S+ 0 0 97 -2,-0.3 3,-1.8 1,-0.3 27,-0.2 0.855 116.2 64.3 -53.4 -35.7 -2.8 -8.9 -6.6 81 81 L G G 3 S+ 0 0 49 1,-0.3 -1,-0.3 -3,-0.0 -3,-0.0 0.638 87.5 70.9 -64.3 -14.4 -2.4 -7.2 -3.2 82 82 L D G < + 0 0 6 -3,-2.4 -1,-0.3 2,-0.0 2,-0.3 0.599 67.9 115.6 -78.3 -12.2 -2.6 -10.7 -1.6 83 83 L E < + 0 0 61 -3,-1.8 2,-0.3 -4,-0.3 23,-0.2 -0.442 46.3 100.8 -61.9 123.0 0.9 -11.6 -2.9 84 84 L A E S- H 0 105C 9 21,-0.7 21,-2.7 -2,-0.3 2,-0.5 -0.957 76.6 -70.3-179.8-176.3 3.1 -12.0 0.1 85 85 L E E -FH 38 104C 46 -47,-2.8 -47,-2.7 -2,-0.3 2,-0.4 -0.857 44.0-155.5-100.1 132.0 4.7 -14.5 2.4 86 86 L Y E -FH 37 103C 0 17,-3.1 17,-2.6 -2,-0.5 2,-0.4 -0.917 10.7-172.7-112.8 136.0 2.3 -16.4 4.7 87 87 L Y E -F 36 0C 10 -51,-2.0 -51,-2.6 -2,-0.4 2,-0.3 -0.965 12.1-155.9-129.4 144.2 3.4 -18.0 8.0 88 88 L a E +F 35 0C 0 -2,-0.4 12,-2.6 -53,-0.2 2,-0.3 -0.779 22.2 171.7-109.4 157.5 1.7 -20.2 10.6 89 89 L A E +FI 34 99C 0 -55,-1.8 -55,-2.5 -2,-0.3 2,-0.3 -0.992 11.5 150.9-162.3 159.7 2.7 -20.4 14.2 90 90 L T E - I 0 98C 0 8,-1.7 8,-3.0 -2,-0.3 2,-0.3 -0.954 49.4 -68.4-173.5 178.1 1.9 -21.8 17.6 91 91 L W E - I 0 97C 8 -59,-0.3 2,-0.4 -2,-0.3 6,-0.2 -0.644 43.7-155.4 -86.0 139.5 3.5 -22.9 20.9 92 92 L D E >> - I 0 96C 9 4,-2.8 3,-2.2 -2,-0.3 4,-1.3 -0.912 27.6-117.4-117.8 145.3 5.6 -26.1 20.9 93 93 L G T 34 S+ 0 0 50 -67,-2.4 -66,-0.1 -2,-0.4 -1,-0.1 0.633 108.2 78.8 -51.4 -16.7 6.4 -28.4 23.9 94 94 L S T 34 S- 0 0 36 2,-0.2 -1,-0.3 -68,-0.1 3,-0.1 0.435 119.6-106.0 -73.1 4.1 10.0 -27.6 23.4 95 95 L L T <4 S+ 0 0 104 -3,-2.2 2,-0.3 1,-0.2 -2,-0.2 0.946 85.1 85.2 71.8 56.0 9.0 -24.4 25.2 96 95AL R E < S-I 92 0C 61 -4,-1.3 -4,-2.8 176,-0.1 2,-0.4 -0.967 80.2 -97.0-170.8 161.1 8.9 -21.8 22.5 97 96 L T E -I 91 0C 2 -2,-0.3 162,-0.5 -6,-0.2 2,-0.4 -0.725 42.4-159.3 -86.8 137.6 6.8 -20.3 19.8 98 97 L V E -I 90 0C 16 -8,-3.0 -8,-1.7 -2,-0.4 2,-0.3 -0.952 6.0-155.0-123.3 144.5 7.5 -21.9 16.4 99 98 L F E -I 89 0C 14 -2,-0.4 -96,-0.5 158,-0.3 -10,-0.2 -0.868 22.0-117.7-113.4 148.0 6.8 -20.5 12.9 100 99 L G B -a 3 0A 2 -12,-2.6 157,-0.4 -2,-0.3 -96,-0.2 -0.355 40.9-100.2 -74.0 167.2 6.4 -22.6 9.7 101 100 L G - 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