==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=8-APR-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER IMMUNE SYSTEM 11-JAN-12 4D9L . COMPND 2 MOLECULE: LIGHT CHAIN OF FAB FRAGMENT OF ANTI-HIV1 GP120 V2 . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR R.M.PAN,X.P.KONG . 1739 10 16 16 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 74736.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 1156 66.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 50 2.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 682 39.2 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 20 1.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 13 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 14 0.8 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 . 200 11.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 144 8.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 44 2.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 31 1.8 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 4 3 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 3 4 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 . 20 17 21 17 14 22 8 6 5 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 16 6 3 7 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 46 0, 0.0 101,-5.3 0, 0.0 2,-1.3 0.000 360.0 360.0 360.0 -84.4 5.1 46.3 47.2 2 2 L S + 0 0 55 99,-0.2 101,-0.1 1,-0.2 102,-0.1 -0.458 360.0 124.2 -89.8 63.9 2.1 44.3 48.6 3 3 L V + 0 0 68 -2,-1.3 2,-0.4 99,-0.4 -1,-0.2 0.516 41.6 87.8-110.8 -12.4 0.1 47.6 49.0 4 4 L L B S-a 103 0A 0 98,-2.0 100,-1.7 -3,-0.4 2,-0.5 -0.771 76.4-132.0 -87.8 135.4 -3.1 46.7 47.0 5 5 L T B +B 23 0B 83 18,-3.5 18,-2.8 -2,-0.4 98,-0.1 -0.767 30.2 168.9-100.4 127.8 -5.7 45.0 49.2 6 6 L Q - 0 0 8 -2,-0.5 16,-0.1 16,-0.2 14,-0.0 -0.915 43.1 -95.6-126.1 155.0 -7.5 41.9 48.2 7 7 L P - 0 0 35 0, 0.0 100,-0.1 0, 0.0 3,-0.1 -0.463 31.1-132.6 -62.3 143.5 -9.7 39.5 50.2 8 8 L P S S+ 0 0 106 0, 0.0 99,-2.6 0, 0.0 2,-0.4 0.874 84.0 23.6 -67.6 -36.1 -7.7 36.5 51.5 9 9 L S E +e 107 0C 84 97,-0.2 2,-0.4 99,-0.0 99,-0.2 -0.985 54.5 179.1-137.8 143.0 -10.3 33.9 50.4 10 11 L V E -e 108 0C 24 97,-2.3 99,-2.6 -2,-0.4 2,-0.3 -0.994 15.7-167.0-137.3 139.4 -13.1 33.6 47.9 11 12 L S E +e 109 0C 67 -2,-0.4 2,-0.3 97,-0.2 99,-0.2 -0.924 13.6 153.6-129.3 152.6 -15.2 30.4 47.4 12 13 L G E -e 110 0C 2 97,-1.7 99,-2.5 -2,-0.3 3,-0.1 -0.956 35.6-117.6-168.6 158.8 -17.6 29.0 45.0 13 14 L A > - 0 0 33 -2,-0.3 3,-1.8 97,-0.2 67,-0.2 -0.554 59.0 -74.1 -88.9 161.3 -19.2 25.8 43.5 14 15 L P T 3 S+ 0 0 72 0, 0.0 67,-0.2 0, 0.0 -1,-0.2 -0.303 120.9 25.7 -58.1 141.6 -18.7 25.0 39.9 15 16 L G T 3 S+ 0 0 55 65,-2.0 66,-0.1 1,-0.3 2,-0.1 0.163 95.2 123.5 91.5 -15.4 -20.8 27.2 37.5 16 17 L Q < - 0 0 97 -3,-1.8 64,-2.7 64,-0.1 63,-1.9 -0.310 61.1-123.8 -72.7 158.6 -21.0 30.0 40.1 17 18 L R E + C 0 78B 151 61,-0.3 2,-0.3 62,-0.2 61,-0.2 -0.896 32.6 179.8-102.7 131.4 -19.8 33.6 39.4 18 19 L V E - C 0 77B 13 59,-2.3 59,-2.7 -2,-0.5 2,-0.3 -0.929 12.3-157.1-130.9 158.0 -17.2 35.1 41.7 19 20 L T E - C 0 76B 67 -2,-0.3 2,-0.4 57,-0.2 57,-0.2 -0.947 4.0-153.8-131.1 153.2 -15.4 38.5 42.0 20 21 L I E - C 0 75B 1 55,-2.2 55,-2.2 -2,-0.3 2,-0.2 -0.996 15.7-141.7-129.4 127.3 -12.2 39.5 43.6 21 22 L S E - C 0 74B 54 -2,-0.4 2,-0.5 53,-0.2 53,-0.2 -0.605 8.8-164.2 -91.4 148.2 -11.6 43.1 44.8 22 23 L a E - C 0 73B 0 51,-2.2 51,-2.4 -2,-0.2 2,-0.6 -0.960 13.1-166.1-131.4 109.8 -8.4 44.9 44.4 23 24 L T E +BC 5 72B 61 -18,-2.8 -18,-3.5 -2,-0.5 49,-0.2 -0.891 17.8 152.6-111.1 118.9 -8.2 48.0 46.6 24 25 L G - 0 0 14 47,-1.9 2,-0.2 -2,-0.6 -20,-0.1 -0.433 31.1-111.1-122.9-161.4 -5.6 50.7 46.2 25 26 L S > > - 0 0 50 -2,-0.2 3,-1.7 47,-0.0 5,-0.6 -0.653 41.6 -80.9-130.4-176.3 -5.1 54.4 46.9 26 27 L S T 3 5S+ 0 0 102 1,-0.3 44,-0.0 -2,-0.2 -2,-0.0 0.634 120.5 62.3 -66.5 -15.3 -4.7 57.7 45.0 27 27AL S T 3 5S+ 0 0 23 3,-0.1 68,-2.3 4,-0.1 69,-0.5 0.502 121.4 11.5 -92.1 -1.3 -1.0 57.0 44.4 28 27BL N T X >S+ 0 0 0 -3,-1.7 5,-1.6 66,-0.2 3,-1.4 0.453 134.3 11.1-129.7 -80.4 -1.7 53.9 42.3 29 27CL I T 3 5S+ 0 0 0 -4,-0.5 -3,-0.1 1,-0.4 42,-0.1 0.825 130.3 60.6 -67.6 -42.8 -5.1 52.8 40.9 30 28 L G T 3 - 0 0 64 -2,-0.6 3,-2.1 4,-0.4 45,-0.2 -0.518 47.2 -80.6 -68.2 143.5 -1.8 27.6 40.0 42 40 L P T 3 S+ 0 0 100 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 -0.212 115.0 9.3 -49.6 126.1 -0.3 25.7 43.0 43 41 L G T 3 S+ 0 0 93 1,-0.3 2,-0.2 -3,-0.1 -2,-0.1 0.409 114.7 94.4 85.1 -1.1 3.4 24.9 42.6 44 42 L T S < S- 0 0 61 -3,-2.1 -1,-0.3 1,-0.1 3,-0.1 -0.612 78.6 -91.5-118.8 176.2 3.8 26.9 39.4 45 43 L A - 0 0 21 -2,-0.2 -4,-0.4 1,-0.1 -6,-0.1 -0.535 49.9 -93.2 -83.7 151.1 4.8 30.4 38.3 46 44 L P - 0 0 3 0, 0.0 2,-0.4 0, 0.0 -6,-0.2 -0.360 40.9-158.4 -54.8 142.7 2.4 33.3 38.0 47 45 L K E -G 39 0C 83 -8,-1.9 -8,-2.8 -3,-0.1 2,-0.1 -0.969 28.1-100.1-125.1 144.1 0.9 33.7 34.5 48 46 L L E +G 38 0C 12 -2,-0.4 -10,-0.3 276,-0.3 3,-0.1 -0.426 43.9 169.6 -61.8 132.4 -0.6 36.9 33.1 49 47 L L E + 0 0 0 -12,-3.5 2,-0.3 1,-0.5 -11,-0.2 0.780 65.0 8.6-112.3 -50.4 -4.3 36.7 33.3 50 48 L I E -G 37 0C 0 -13,-1.3 -13,-2.9 6,-0.2 -1,-0.5 -0.990 65.3-172.9-132.5 140.3 -5.6 40.2 32.6 51 49 L Y B >> +J 55 0D 69 4,-2.1 4,-2.2 -2,-0.3 3,-0.7 -0.974 67.4 20.8-133.2 153.6 -3.6 43.2 31.3 52 50 L G T 34 S- 0 0 13 -2,-0.3 2,-2.0 1,-0.3 -1,-0.2 0.944 125.8 -69.6 54.6 48.9 -4.5 46.9 30.8 53 51 L N T 34 S+ 0 0 29 -18,-3.2 -1,-0.3 1,-0.2 21,-0.2 -0.082 128.7 18.9 68.8 -38.7 -7.5 46.5 33.2 54 52 L S T <4 S+ 0 0 66 -2,-2.0 12,-0.3 -3,-0.7 2,-0.3 0.464 86.9 113.3-145.9 -4.3 -9.6 44.2 30.9 55 53 L N B < -J 51 0D 75 -4,-2.2 -4,-2.1 -3,-0.1 -2,-0.1 -0.601 48.7-145.4 -84.9 139.3 -7.7 42.5 28.1 56 54 L R - 0 0 98 -2,-0.3 -6,-0.2 -6,-0.2 3,-0.1 -0.875 13.6-134.3 -99.9 127.2 -7.2 38.8 27.9 57 55 L P > - 0 0 30 0, 0.0 3,-1.1 0, 0.0 2,-0.0 -0.326 50.1 -71.0 -65.6 162.7 -3.9 37.4 26.5 58 56 L S T 3 S+ 0 0 134 1,-0.2 0, 0.0 -2,-0.0 0, 0.0 -0.331 120.4 22.1 -57.7 131.8 -4.4 34.5 24.0 59 57 L G T 3 S+ 0 0 75 1,-0.3 -1,-0.2 -3,-0.1 462,-0.0 0.726 84.4 124.1 82.5 21.3 -5.5 31.3 25.7 60 58 L V < - 0 0 13 -3,-1.1 -1,-0.3 4,-0.0 -4,-0.1 -0.978 69.2-106.8-106.3 127.8 -7.1 32.7 28.8 61 59 L P > - 0 0 22 0, 0.0 3,-1.5 0, 0.0 -1,-0.0 -0.081 16.2-116.6 -59.1 153.2 -10.7 31.6 29.0 62 60 L D T 3 S+ 0 0 107 1,-0.3 16,-0.1 15,-0.0 -2,-0.0 0.756 105.1 79.2 -54.8 -31.7 -13.7 33.8 28.4 63 61 L R T 3 S+ 0 0 10 16,-0.1 15,-2.2 14,-0.1 2,-0.3 0.746 79.9 78.9 -44.7 -39.4 -14.7 33.2 32.0 64 62 L F E < +D 77 0B 1 -3,-1.5 2,-0.3 13,-0.2 13,-0.2 -0.627 56.4 165.1 -86.7 135.0 -12.2 35.8 33.3 65 63 L S E -D 76 0B 45 11,-2.1 11,-3.4 -2,-0.3 2,-0.4 -0.997 16.2-155.9-147.6 150.7 -12.9 39.5 33.1 66 64 L G E +D 75 0B 12 -2,-0.3 2,-0.3 -12,-0.3 9,-0.2 -0.934 12.1 170.9-127.2 147.0 -11.4 42.6 34.6 67 65 L S E -D 74 0B 69 7,-2.2 7,-3.3 -2,-0.4 2,-0.3 -0.965 14.2-154.9-143.4 162.6 -12.5 46.1 35.3 68 66 L K E +D 73 0B 53 -2,-0.3 5,-0.3 5,-0.3 2,-0.3 -0.951 12.1 179.9-132.2 151.5 -11.2 49.1 37.2 69 67 L S E > -D 72 0B 96 3,-3.8 3,-2.7 -2,-0.3 2,-0.6 -0.831 56.2 -49.0-160.4 120.7 -13.1 51.9 38.8 70 68 L G T 3 S- 0 0 62 -2,-0.3 -38,-0.3 1,-0.3 -1,-0.0 -0.407 127.0 -13.6 55.7-106.1 -11.9 54.9 40.7 71 69 L T T 3 S+ 0 0 60 -2,-0.6 -47,-1.9 -42,-0.1 2,-0.3 0.403 126.7 70.6-108.5 0.1 -9.6 53.5 43.3 72 70 L S E < -CD 23 69B 41 -3,-2.7 -3,-3.8 -49,-0.2 2,-0.3 -0.811 54.9-161.2-118.0 159.0 -10.5 49.8 42.9 73 71 L A E -CD 22 68B 2 -51,-2.4 -51,-2.2 -2,-0.3 2,-0.4 -0.914 11.9-155.2-128.8 162.5 -10.2 47.0 40.4 74 72 L S E -CD 21 67B 35 -7,-3.3 -7,-2.2 -2,-0.3 2,-0.5 -0.999 9.5-156.8-144.3 138.1 -12.1 43.8 40.1 75 73 L L E -CD 20 66B 0 -55,-2.2 -55,-2.2 -2,-0.4 2,-0.4 -0.963 16.7-165.0-111.2 128.8 -11.6 40.4 38.6 76 74 L A E -CD 19 65B 4 -11,-3.4 -11,-2.1 -2,-0.5 2,-0.5 -0.941 13.3-168.4-116.6 135.4 -14.7 38.3 37.7 77 75 L I E > -CD 18 64B 0 -59,-2.7 -59,-2.3 -2,-0.4 2,-1.2 -0.935 10.8-164.0-117.2 105.3 -14.9 34.6 37.0 78 76 L T E 3 S+C 17 0B 73 -15,-2.2 -61,-0.3 -2,-0.5 -62,-0.1 -0.675 76.4 13.2 -95.2 85.5 -18.3 33.8 35.5 79 77 L G T 3 S- 0 0 11 -63,-1.9 -1,-0.2 -2,-1.2 -62,-0.2 0.752 87.1-134.0 114.3 55.7 -18.7 30.1 35.8 80 78 L L < - 0 0 1 -64,-2.7 -65,-2.0 -3,-0.5 2,-0.3 0.037 20.2-161.6 -35.9 133.4 -16.0 28.7 38.2 81 79 L Q > - 0 0 12 -67,-0.2 3,-2.1 -66,-0.1 4,-0.1 -0.876 31.3-112.4-116.2 155.2 -14.2 25.6 36.9 82 80 L A G > S+ 0 0 31 -2,-0.3 3,-1.7 1,-0.3 28,-0.2 0.911 117.6 57.8 -47.2 -47.7 -12.2 23.1 39.0 83 81 L E G 3 S+ 0 0 64 1,-0.3 -1,-0.3 -3,-0.0 -3,-0.0 0.502 88.5 75.2 -68.7 -4.1 -9.0 24.3 37.3 84 82 L D G < + 0 0 2 -3,-2.1 2,-1.0 2,-0.1 -1,-0.3 0.399 64.3 117.1 -83.3 -0.0 -9.6 27.9 38.4 85 83 L E < + 0 0 28 -3,-1.7 2,-0.3 -4,-0.1 24,-0.1 -0.608 49.6 98.4 -74.6 105.6 -8.5 26.9 41.9 86 84 L A S S- 0 0 1 -2,-1.0 22,-2.2 22,-0.5 2,-0.4 -0.903 76.1 -75.0-165.9-178.2 -5.4 29.1 42.3 87 85 L D E -FH 40 107C 53 -47,-2.5 -47,-3.3 -2,-0.3 2,-0.4 -0.866 39.5-158.3 -98.8 138.2 -4.0 32.3 43.8 88 86 L Y E -FH 39 106C 0 18,-2.4 18,-2.1 -2,-0.4 2,-0.4 -0.969 8.3-174.3-121.2 129.3 -4.8 35.6 42.1 89 87 L Y E -F 38 0C 10 -51,-1.8 -51,-2.7 -2,-0.4 2,-0.2 -0.967 12.1-151.0-118.8 134.8 -2.8 38.8 42.4 90 88 L a E -F 37 0C 0 -2,-0.4 13,-2.6 -53,-0.2 2,-0.3 -0.619 20.2-170.9 -87.0 160.9 -3.6 42.3 41.0 91 89 L Q E +FI 36 102C 1 -55,-2.0 -55,-2.6 11,-0.2 2,-0.2 -0.992 16.4 143.7-152.0 157.0 -0.7 44.6 40.1 92 90 L S E - 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