==== 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 3MLZ . COMPND 2 MOLECULE: HUMAN MONOCLONAL ANTI-HIV-1 GP120 V3 ANTIBODY 307 . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR X.-P.KONG . 466 3 4 4 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 21288.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 290 62.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 10 2.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 172 36.9 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 3 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 5 1.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 3 0.6 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 . 54 11.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 32 6.9 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 . 6 1.3 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 0 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 1 0 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 . 4 4 6 3 4 7 2 1 0 1 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 2 3 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 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 0 206 0, 0.0 2,-0.1 0, 0.0 4,-0.1 0.000 360.0 360.0 360.0 150.3 -147.1 114.4 -178.4 2 2 L S - 0 0 63 2,-0.3 99,-0.1 4,-0.1 3,-0.0 -0.426 360.0-106.7-102.2 173.7 -147.7 112.4 -181.6 3 3 L V S S+ 0 0 59 97,-0.3 2,-0.4 -2,-0.1 98,-0.1 0.966 114.6 42.2 -67.7 -51.9 -145.7 109.7 -183.4 4 4 L L B S-a 101 0A 0 96,-0.5 98,-0.7 85,-0.1 2,-0.5 -0.799 86.3-146.3 -92.8 136.2 -144.9 112.2 -186.1 5 5 L T B +B 23 0B 46 18,-3.2 18,-2.1 -2,-0.4 96,-0.1 -0.900 22.7 166.3-108.2 123.8 -143.9 115.7 -184.9 6 6 L Q - 0 0 18 -2,-0.5 16,-0.1 16,-0.2 96,-0.1 -0.913 43.5 -98.1-123.0 159.4 -144.7 119.0 -186.7 7 7 L P - 0 0 38 0, 0.0 98,-0.2 0, 0.0 3,-0.1 -0.559 29.5-133.5 -67.6 129.9 -144.5 122.6 -185.5 8 8 L P S S+ 0 0 90 0, 0.0 97,-3.3 0, 0.0 2,-0.3 0.903 84.9 19.6 -57.3 -36.4 -148.0 123.8 -184.6 9 9 L S E +e 105 0C 22 95,-0.3 2,-0.3 137,-0.1 97,-0.2 -0.964 57.0 177.1-138.6 147.6 -147.5 127.0 -186.6 10 11 L V E -e 106 0C 25 95,-2.6 97,-2.5 -2,-0.3 2,-0.3 -0.985 10.9-171.7-148.1 138.5 -145.3 128.5 -189.3 11 12 L S E +e 107 0C 25 -2,-0.3 2,-0.3 95,-0.2 97,-0.2 -0.951 9.8 162.0-133.3 150.0 -145.4 131.9 -191.1 12 13 L A E -e 108 0C 5 95,-1.4 97,-2.7 -2,-0.3 3,-0.1 -0.979 39.6 -94.1-156.3 165.8 -143.9 133.8 -194.0 13 14 L A > - 0 0 26 -2,-0.3 3,-3.5 95,-0.2 66,-0.3 -0.636 57.8 -83.0 -85.1 137.6 -144.5 136.9 -196.1 14 15 L P T 3 S+ 0 0 80 0, 0.0 66,-0.2 0, 0.0 -1,-0.1 -0.093 123.8 22.3 -36.9 117.4 -146.3 136.6 -199.5 15 16 L G T 3 S+ 0 0 49 1,-0.3 63,-0.5 64,-0.3 2,-0.2 0.227 98.4 121.9 103.9 -11.5 -143.5 135.4 -201.8 16 17 L Q < - 0 0 105 -3,-3.5 63,-0.7 62,-0.2 -1,-0.3 -0.489 64.4-109.0 -85.7 152.3 -141.1 134.0 -199.2 17 18 L K - 0 0 168 -2,-0.2 2,-0.3 60,-0.1 60,-0.2 -0.455 38.7-177.6 -66.3 145.1 -139.7 130.5 -198.8 18 19 L V E - C 0 76B 18 58,-1.4 58,-1.4 -2,-0.1 2,-0.3 -0.952 12.5-157.1-140.9 165.1 -141.0 128.4 -195.9 19 20 L T E - C 0 75B 89 -2,-0.3 2,-0.4 56,-0.2 56,-0.2 -0.983 1.7-163.5-146.9 131.6 -140.2 125.0 -194.6 20 21 L I E - C 0 74B 0 54,-3.0 54,-2.7 -2,-0.3 2,-0.5 -0.961 16.5-148.3-113.7 134.7 -142.3 122.5 -192.5 21 22 L S E - C 0 73B 51 -2,-0.4 2,-0.5 52,-0.2 52,-0.2 -0.892 9.2-161.7-116.4 130.1 -140.6 119.7 -190.7 22 23 L a E - C 0 72B 0 50,-3.1 50,-2.8 -2,-0.5 2,-0.5 -0.896 16.7-163.9-102.2 125.3 -142.0 116.2 -189.9 23 24 L S E +BC 5 71B 51 -18,-2.1 -18,-3.2 -2,-0.5 48,-0.2 -0.949 24.7 127.2-123.3 130.5 -140.1 114.5 -187.2 24 25 L G - 0 0 18 46,-2.0 2,-0.3 -2,-0.5 46,-0.1 -0.357 38.1-106.5-147.1-137.4 -140.1 110.7 -186.4 25 26 L S > > - 0 0 47 -2,-0.1 3,-2.5 44,-0.1 5,-1.7 -0.923 44.6 -71.8-161.6 177.2 -138.0 107.7 -185.9 26 27 L S T 3 5S+ 0 0 86 1,-0.3 -1,-0.0 -2,-0.3 43,-0.0 0.764 120.2 69.2 -51.7 -30.1 -136.7 104.4 -187.1 27 27AL S T 3 5S- 0 0 45 3,-0.1 67,-3.1 66,-0.1 -1,-0.3 0.619 123.7 -3.7 -64.0 -20.3 -140.1 103.0 -186.4 28 27BL N T X>5S+ 0 0 1 -3,-2.5 4,-1.9 65,-0.2 3,-1.6 0.479 133.9 33.0-135.6 -81.1 -141.6 105.0 -189.3 29 28 L I T 345S+ 0 0 1 -4,-0.5 -3,-0.2 1,-0.3 42,-0.1 0.831 111.7 62.8 -65.1 -35.9 -139.7 107.5 -191.4 30 29 L G T 34 - 0 0 53 4,-0.4 3,-2.2 -2,-0.4 45,-0.1 -0.761 45.9 -91.2 -87.2 142.1 -158.1 124.1 -196.2 41 40 L P T 3 S+ 0 0 120 0, 0.0 3,-0.1 0, 0.0 -1,-0.1 -0.164 110.3 14.8 -66.9 143.1 -160.7 124.3 -193.5 42 41 L G T 3 S+ 0 0 84 1,-0.3 2,-0.3 -3,-0.0 -2,-0.0 0.148 111.3 90.4 82.9 -19.4 -164.1 122.7 -194.5 43 42 L T S < S- 0 0 62 -3,-2.2 -1,-0.3 1,-0.1 3,-0.1 -0.715 85.1-102.3 -98.3 159.3 -162.5 120.9 -197.5 44 43 L A - 0 0 22 -2,-0.3 -4,-0.4 1,-0.1 2,-0.1 -0.323 49.0 -82.2 -73.4 162.0 -161.0 117.4 -197.3 45 44 L P - 0 0 5 0, 0.0 2,-0.4 0, 0.0 -6,-0.2 -0.441 44.7-151.4 -68.1 146.1 -157.2 116.8 -197.2 46 45 L K E -G 38 0C 101 -8,-2.5 -8,-2.3 -2,-0.1 2,-0.4 -0.957 18.2-112.6-127.3 129.5 -155.5 116.9 -200.6 47 46 L L E +G 37 0C 11 -2,-0.4 -10,-0.2 283,-0.3 3,-0.1 -0.493 37.9 165.1 -71.6 121.2 -152.3 115.1 -201.5 48 47 L L E + 0 0 0 -12,-3.4 2,-0.3 -2,-0.4 -11,-0.2 0.783 65.8 10.2 -98.4 -44.8 -149.3 117.4 -202.1 49 48 L I E -G 36 0C 0 -13,-1.2 -13,-2.0 6,-0.2 -1,-0.3 -0.972 59.5-180.0-139.5 150.9 -146.3 115.0 -202.0 50 49 L Y B > +J 54 0D 22 4,-2.1 4,-1.8 -2,-0.3 3,-0.4 -0.966 64.7 32.9-148.9 162.3 -145.9 111.2 -202.0 51 50 L E T 4 S- 0 0 19 -2,-0.3 2,-3.2 1,-0.3 3,-0.4 0.944 124.7 -70.5 52.9 52.9 -142.9 108.9 -201.9 52 51 L N T 4 S+ 0 0 20 -18,-2.3 -1,-0.3 1,-0.2 21,-0.2 -0.186 128.8 9.6 66.3 -49.1 -140.9 111.4 -199.8 53 52 L S T 4 S+ 0 0 72 -2,-3.2 12,-0.3 -3,-0.4 -1,-0.2 0.406 91.7 116.8-145.9 -6.0 -140.5 113.8 -202.7 54 53 L K B < -J 50 0D 98 -4,-1.8 -4,-2.1 -3,-0.4 -2,-0.0 -0.363 50.7-143.1 -69.7 157.7 -142.7 112.8 -205.7 55 54 L R - 0 0 110 -6,-0.2 -6,-0.2 -4,-0.0 -7,-0.1 -0.977 9.4-131.1-128.2 117.6 -145.4 115.2 -206.8 56 55 L P > - 0 0 30 0, 0.0 3,-1.5 0, 0.0 2,-0.2 -0.418 46.5 -93.5 -66.4 148.1 -148.9 114.1 -208.1 57 56 L S T 3 S+ 0 0 125 1,-0.3 0, 0.0 3,-0.0 0, 0.0 -0.473 113.9 47.2 -73.1 135.1 -149.5 116.1 -211.3 58 57 L G T 3 S+ 0 0 74 1,-0.4 -1,-0.3 -2,-0.2 0, 0.0 0.141 87.3 109.1 117.1 -10.8 -151.5 119.2 -210.7 59 58 L I S < S- 0 0 18 -3,-1.5 -1,-0.4 -4,-0.1 2,-0.1 -0.871 72.6-120.0 -99.9 126.1 -149.3 120.2 -207.8 60 59 L P > - 0 0 49 0, 0.0 3,-1.6 0, 0.0 -3,-0.0 -0.373 18.2-122.7 -57.1 129.2 -146.9 123.1 -208.4 61 60 L D T 3 S+ 0 0 110 1,-0.3 3,-0.2 -2,-0.1 15,-0.0 -0.255 103.5 73.7 -51.6 169.3 -143.2 122.5 -208.1 62 61 L R T 3 S+ 0 0 48 1,-0.2 15,-2.6 -3,-0.1 2,-0.7 0.049 85.0 84.5 85.5 -27.5 -142.4 125.1 -205.4 63 62 L F E < +D 76 0B 6 -3,-1.6 2,-0.3 13,-0.2 13,-0.2 -0.976 64.9 151.9 -96.1 113.3 -144.1 122.4 -203.5 64 63 L S E -D 75 0B 68 11,-2.1 11,-4.7 -2,-0.7 2,-0.3 -0.992 22.4-173.4-138.8 146.9 -141.3 120.0 -202.7 65 64 L G E +D 74 0B 7 -2,-0.3 2,-0.3 -12,-0.3 9,-0.2 -0.849 4.9 178.4-128.9 168.0 -140.7 117.5 -199.9 66 65 L S E -D 73 0B 58 7,-1.7 7,-3.1 -2,-0.3 2,-0.4 -0.961 20.3-131.4-162.7 164.2 -137.8 115.4 -199.0 67 66 L R E +D 72 0B 103 -2,-0.3 2,-0.3 5,-0.3 5,-0.3 -0.936 18.6 177.7-117.7 139.1 -136.7 112.9 -196.4 68 67 L S E > -D 71 0B 89 3,-2.4 3,-1.9 -2,-0.4 -38,-0.0 -0.950 63.2 -42.1-139.2 132.5 -133.4 112.9 -194.5 69 68 L G T 3 S- 0 0 47 -2,-0.3 -44,-0.1 1,-0.3 -1,-0.0 -0.306 122.5 -24.8 50.3-132.3 -132.7 110.3 -191.9 70 69 L T T 3 S+ 0 0 59 -46,-0.1 -46,-2.0 -40,-0.1 2,-0.3 -0.062 127.4 82.2 -97.2 30.0 -135.8 109.8 -189.7 71 70 L S E < -CD 23 68B 39 -3,-1.9 -3,-2.4 -48,-0.2 2,-0.3 -0.914 57.5-164.6-131.0 159.3 -137.0 113.3 -190.6 72 71 L A E -CD 22 67B 0 -50,-2.8 -50,-3.1 -2,-0.3 2,-0.4 -0.968 4.1-158.0-140.8 158.5 -138.9 114.7 -193.5 73 72 L T E -CD 21 66B 41 -7,-3.1 -7,-1.7 -2,-0.3 2,-0.4 -0.989 8.8-152.7-144.8 130.0 -139.5 118.3 -194.7 74 73 L L E -CD 20 65B 1 -54,-2.7 -54,-3.0 -2,-0.4 2,-0.5 -0.850 18.2-160.1 -93.9 133.0 -142.0 120.0 -196.9 75 74 L G E -CD 19 64B 18 -11,-4.7 -11,-2.1 -2,-0.4 2,-0.6 -0.961 7.5-168.8-120.2 124.9 -140.8 123.1 -198.7 76 75 L I E -CD 18 63B 1 -58,-1.4 -58,-1.4 -2,-0.5 -13,-0.2 -0.915 10.0-170.9-115.6 112.4 -143.0 125.8 -200.1 77 76 L I + 0 0 93 -15,-2.6 -60,-0.1 -2,-0.6 -61,-0.1 -0.588 62.6 20.4 -98.0 157.5 -141.4 128.4 -202.4 78 77 L G S S- 0 0 29 -63,-0.5 -1,-0.2 -2,-0.2 -62,-0.2 0.952 89.9-135.5 51.3 68.7 -142.9 131.6 -203.8 79 78 L L - 0 0 9 -63,-0.7 -64,-0.3 -66,-0.3 2,-0.2 -0.107 26.5-174.6 -62.0 149.0 -145.7 131.9 -201.2 80 79 L Q - 0 0 106 -66,-0.2 4,-0.1 1,-0.1 -1,-0.1 -0.679 36.6-107.8-133.6-175.8 -149.3 132.8 -202.1 81 80 L T S > S+ 0 0 115 -2,-0.2 3,-2.0 1,-0.2 27,-0.2 0.912 116.4 55.5 -88.6 -42.5 -152.5 133.5 -200.3 82 81 L G T 3 S+ 0 0 46 1,-0.3 -1,-0.2 -3,-0.0 -3,-0.0 0.542 92.5 77.0 -61.1 -10.1 -154.2 130.3 -201.2 83 82 L D T 3 + 0 0 8 2,-0.0 2,-0.7 -45,-0.0 -1,-0.3 0.638 66.7 106.9 -73.2 -14.2 -151.2 128.6 -199.6 84 83 L E < + 0 0 51 -3,-2.0 2,-0.3 -4,-0.1 23,-0.2 -0.558 53.0 102.7 -69.0 109.0 -152.6 129.4 -196.2 85 84 L A E S- H 0 106C 6 21,-0.8 21,-2.6 -2,-0.7 2,-0.4 -0.957 75.2 -75.9-165.2-178.9 -153.8 126.1 -194.8 86 85 L E E -FH 39 105C 55 -47,-2.5 -47,-2.8 -2,-0.3 2,-0.4 -0.799 44.1-155.3 -89.5 133.8 -153.1 123.3 -192.4 87 86 L Y E -FH 38 104C 0 17,-3.1 17,-2.5 -2,-0.4 2,-0.4 -0.942 9.0-169.9-115.8 132.6 -150.3 120.8 -193.5 88 87 L Y E -F 37 0C 6 -51,-1.8 -51,-2.7 -2,-0.4 2,-0.3 -0.923 10.2-155.9-117.0 143.4 -149.9 117.2 -192.5 89 88 L a E +F 36 0C 0 -2,-0.4 12,-2.0 -53,-0.2 2,-0.3 -0.779 21.4 178.3-100.2 159.5 -147.2 114.6 -193.0 90 89 L A E +FI 35 100C 0 -55,-1.5 -55,-1.8 -2,-0.3 2,-0.3 -0.985 12.6 150.2-160.4 149.4 -147.9 110.8 -192.8 91 90 L T E - I 0 99C 0 8,-1.3 8,-2.5 -2,-0.3 2,-0.2 -0.947 49.6 -75.0-158.9 179.3 -146.4 107.3 -193.1 92 91 L W E - I 0 98C 14 -2,-0.3 2,-0.4 6,-0.2 6,-0.3 -0.534 45.7-153.0 -74.1 146.2 -146.7 103.7 -192.0 93 92 L D E >> - I 0 97C 7 4,-2.5 3,-3.2 -2,-0.2 4,-1.1 -0.979 26.6-117.5-125.7 149.5 -145.5 103.2 -188.5 94 93 L G T 34 S+ 0 0 48 -67,-3.1 -66,-0.1 -2,-0.4 -1,-0.1 0.676 110.1 76.2 -53.7 -19.3 -144.1 100.0 -187.0 95 94 L S T 34 S- 0 0 39 2,-0.2 -1,-0.3 -68,-0.1 3,-0.1 0.547 120.9-102.0 -71.5 -11.8 -147.0 100.1 -184.6 96 95 L L T <4 S+ 0 0 96 -3,-3.2 2,-0.3 1,-0.3 -2,-0.2 0.809 84.5 82.0 100.0 42.0 -149.1 98.9 -187.6 97 95AL R E < S-I 93 0C 62 -4,-1.1 -4,-2.5 178,-0.1 -1,-0.3 -0.984 80.4 -94.9-156.2 160.1 -150.9 102.0 -188.9 98 96 L T E -I 92 0C 2 -2,-0.3 164,-0.5 -6,-0.3 2,-0.3 -0.671 48.4-162.5 -71.7 146.1 -150.7 105.0 -191.0 99 97 L V E -I 91 0C 11 -8,-2.5 -8,-1.3 -2,-0.3 2,-0.4 -0.946 9.0-153.6-136.5 141.4 -149.8 107.9 -188.8 100 98 L F E -I 90 0C 16 -2,-0.3 -96,-0.5 160,-0.3 -97,-0.3 -0.940 20.5-117.0-119.6 153.6 -150.1 111.7 -189.2 101 99 L G B -a 4 0A 3 -12,-2.0 159,-0.3 -2,-0.4 -96,-0.2 -0.259 43.7 -96.2 -71.0 168.9 -148.1 114.5 -187.6 102 100 L G - 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