==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=24-JUL-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER IMMUNE SYSTEM 08-FEB-10 3LQA . COMPND 2 MOLECULE: T-CELL SURFACE GLYCOPROTEIN CD4; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR R.DISKIN,P.M.MARCOVECCHIO,P.J.BJORKMAN . 903 7 12 8 4 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 42240.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 542 60.0 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 . 289 32.0 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 6 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 8 0.9 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 . 1 0.1 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 . 99 11.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 39 4.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 61 6.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 9 1.0 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 1 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 1 2 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 PARALLEL BRIDGES PER LADDER . 12 10 14 12 2 6 6 0 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 4 6 2 4 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 2 C K 0 0 181 0, 0.0 92,-3.8 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 105.2 -40.0 -20.4 -35.2 2 3 C V E +a 93 0A 30 90,-0.2 2,-0.3 161,-0.2 92,-0.2 -0.885 360.0 166.5-120.0 130.0 -36.4 -21.0 -34.1 3 4 C V E -a 94 0A 54 90,-2.3 92,-1.3 -2,-0.4 2,-0.3 -0.970 22.1-141.3-130.0 160.0 -34.1 -19.8 -31.4 4 5 C L E -a 95 0A 27 -2,-0.3 2,-0.4 90,-0.2 92,-0.2 -0.851 9.4-162.1-120.1 140.1 -30.8 -21.1 -30.2 5 6 C G E -a 96 0A 10 90,-2.3 92,-1.0 -2,-0.3 6,-0.1 -0.977 22.1-118.9-129.5 142.5 -29.4 -21.4 -26.6 6 7 C K E > -a 97 0A 69 -2,-0.4 3,-1.0 90,-0.2 67,-0.2 -0.352 42.8 -91.5 -72.1 149.9 -25.7 -21.9 -25.5 7 8 C K T 3 S+ 0 0 86 90,-1.3 67,-0.2 1,-0.2 757,-0.2 -0.411 109.3 15.6 -67.5 137.5 -24.9 -25.0 -23.5 8 9 C G T 3 S+ 0 0 5 65,-2.6 64,-0.4 1,-0.3 -1,-0.2 0.071 107.8 111.0 89.8 -10.0 -25.0 -24.7 -19.8 9 10 C D S < S- 0 0 40 -3,-1.0 64,-2.3 63,-0.2 2,-0.5 0.073 71.3-102.3 -89.9-179.5 -27.0 -21.4 -20.1 10 11 C T - 0 0 81 61,-0.2 2,-0.3 62,-0.2 61,-0.2 -0.959 36.4-177.8-120.0 130.1 -30.5 -20.3 -19.4 11 12 C V E -F 70 0B 18 59,-2.8 59,-2.3 -2,-0.5 2,-0.4 -0.912 12.1-151.4-129.9 140.0 -33.1 -19.9 -22.1 12 13 C E E -F 69 0B 68 -2,-0.3 2,-0.4 57,-0.2 57,-0.2 -0.972 1.4-156.6-123.2 130.4 -36.6 -18.8 -22.2 13 14 C L E -F 68 0B 5 55,-3.4 55,-2.5 -2,-0.4 2,-0.3 -0.881 24.6-132.3-100.6 135.3 -39.5 -19.7 -24.6 14 15 C T - 0 0 102 -2,-0.4 2,-0.4 53,-0.2 69,-0.1 -0.685 19.4-172.0-101.3 129.9 -42.3 -17.2 -24.9 15 16 C a - 0 0 0 -2,-0.3 51,-1.2 69,-0.0 2,-0.4 -0.981 5.5-163.8-121.4 131.4 -46.1 -17.7 -24.8 16 17 C T B -H 65 0C 83 -2,-0.4 2,-0.3 49,-0.2 49,-0.2 -0.942 4.1-158.6-120.0 130.0 -48.9 -15.2 -25.5 17 18 C A - 0 0 11 47,-0.9 69,-0.0 -2,-0.4 5,-0.0 -0.708 32.1-110.8-102.2 159.2 -52.6 -15.1 -24.8 18 19 C S S S+ 0 0 87 -2,-0.3 2,-0.3 2,-0.1 -1,-0.1 0.737 99.6 23.1 -59.9 -40.1 -55.3 -13.0 -26.6 19 20 C Q S S- 0 0 120 2,-0.2 2,-3.2 45,-0.1 -2,-0.1 -0.954 96.2 -97.2-129.9 157.5 -56.0 -10.6 -23.8 20 21 C K S S+ 0 0 164 -2,-0.3 2,-0.3 -4,-0.0 44,-0.3 -0.424 86.8 117.6 -80.0 78.2 -53.9 -9.6 -20.9 21 22 C K S S- 0 0 107 -2,-3.2 2,-0.3 42,-0.5 -2,-0.2 -0.995 73.2 -97.2-140.0 140.6 -55.7 -12.2 -18.7 22 23 C S + 0 0 49 -2,-0.3 2,-0.3 40,-0.3 40,-0.1 -0.519 43.8 176.1 -70.0 130.0 -54.8 -15.3 -16.8 23 24 C I - 0 0 31 -2,-0.3 2,-0.2 38,-0.2 41,-0.0 -0.966 40.9-105.5-120.2 130.0 -55.6 -18.5 -18.8 24 25 C Q + 0 0 50 -2,-0.3 62,-0.7 13,-0.1 2,-0.3 -0.613 54.4 171.3 -60.0 135.7 -54.9 -22.1 -17.8 25 26 C F E -B 85 0A 2 -2,-0.2 13,-1.4 60,-0.2 2,-0.3 -0.887 14.0-168.3-140.0 160.0 -51.9 -22.9 -20.1 26 27 C H E -BC 84 37A 7 58,-1.0 58,-2.2 -2,-0.3 2,-0.4 -0.990 14.9-119.3-152.2 159.9 -49.7 -25.9 -20.2 27 28 C W E -B 83 0A 4 9,-1.9 8,-1.6 -2,-0.3 2,-0.4 -0.883 21.6-175.7-120.0 140.0 -46.3 -27.0 -21.8 28 29 C K E -BC 82 34A 2 54,-1.9 54,-4.5 -2,-0.4 6,-0.2 -0.998 13.1-151.3-133.2 147.1 -45.2 -29.7 -24.2 29 30 C N - 0 0 23 4,-1.7 53,-0.1 -2,-0.4 52,-0.1 0.080 57.4 -71.2 -90.1-176.3 -42.1 -31.1 -25.8 30 31 C S S S+ 0 0 73 2,-0.1 2,-0.2 51,-0.1 51,-0.1 0.939 128.7 51.6 -60.0 -40.6 -41.9 -32.9 -29.2 31 32 C N S S- 0 0 58 1,-0.1 2,-2.5 2,-0.1 -2,-0.3 -0.578 115.8 -98.5 -80.1 160.5 -43.7 -36.0 -27.8 32 33 C Q S S+ 0 0 58 402,-0.3 402,-1.1 -2,-0.2 2,-0.4 -0.437 78.7 141.8 -88.9 70.0 -46.9 -34.8 -26.0 33 34 C I - 0 0 32 -2,-2.5 -4,-1.7 401,-0.2 2,-0.4 -0.940 50.1-121.7-113.1 130.0 -45.0 -34.9 -22.7 34 35 C K E +C 28 0A 15 -2,-0.4 14,-1.3 398,-0.2 -6,-0.2 -0.579 33.3 167.7 -88.7 120.0 -45.7 -32.3 -20.1 35 36 C I E - 0 0 0 -8,-1.6 11,-5.1 -2,-0.4 2,-0.3 0.884 69.3 -11.2 -80.0 -69.9 -43.0 -30.0 -18.6 36 37 C L E + D 0 45A 0 9,-0.3 -9,-1.9 19,-0.1 -1,-0.3 -0.987 62.0 155.5-139.8 140.2 -44.8 -27.2 -16.7 37 38 C G E -CD 26 44A 0 7,-1.9 7,-2.3 -2,-0.3 2,-0.3 -0.903 27.8-127.9-152.5 178.7 -48.5 -26.0 -16.5 38 39 C N E - D 0 43A 1 -13,-1.4 2,-0.5 -2,-0.3 5,-0.2 -0.924 6.9-146.6-140.0 160.0 -50.5 -24.1 -13.9 39 40 C Q E > - D 0 42A 18 3,-2.5 3,-1.5 -2,-0.3 414,-0.1 -0.936 69.1 -67.8-118.5 107.7 -53.6 -24.3 -11.9 40 41 C G T 3 S- 0 0 27 -2,-0.5 412,-0.1 1,-0.3 -1,-0.1 -0.317 122.2 -10.5 50.0-131.6 -55.0 -20.8 -11.3 41 42 C S T 3 S+ 0 0 7 361,-0.6 -1,-0.3 410,-0.4 361,-0.1 0.850 122.3 81.7 -61.8 -40.0 -52.3 -19.5 -9.0 42 43 C F E < -D 39 0A 6 -3,-1.5 -3,-2.5 409,-0.5 2,-0.3 -0.229 67.1-139.3 -79.1 160.0 -50.3 -22.7 -8.2 43 44 C L E -D 38 0A 9 -5,-0.2 315,-2.0 -7,-0.0 2,-0.3 -0.840 14.5-167.8-119.3 140.1 -47.6 -24.3 -10.5 44 45 C T E -D 37 0A 26 -7,-2.3 -7,-1.9 -2,-0.3 2,-0.4 -0.995 15.8-133.6-136.3 150.7 -46.9 -27.9 -11.4 45 46 C K E -D 36 0A 65 -2,-0.3 311,-0.6 -9,-0.2 -9,-0.3 -0.781 23.7-131.3-100.1 127.0 -44.0 -29.9 -13.1 46 47 C G - 0 0 3 -11,-5.1 2,-0.7 -2,-0.4 5,-0.4 -0.402 27.6-105.7 -70.0 152.9 -44.8 -32.5 -15.8 47 48 C P S S+ 0 0 38 0, 0.0 -12,-0.1 0, 0.0 -1,-0.1 0.181 77.7 128.2 -67.1 27.9 -43.3 -36.0 -15.7 48 49 C S S S- 0 0 8 -14,-1.3 3,-0.3 -2,-0.7 -14,-0.0 -0.191 79.7-105.0 -80.0 170.0 -40.9 -35.2 -18.5 49 50 C K S S+ 0 0 173 1,-0.2 3,-0.4 2,-0.1 -1,-0.1 0.886 120.1 57.0 -60.1 -40.0 -37.1 -35.8 -18.3 50 51 C L + 0 0 8 1,-0.2 -1,-0.2 3,-0.0 -15,-0.1 0.731 64.3 120.3 -60.0 -40.0 -36.9 -32.0 -17.8 51 52 C N S > S+ 0 0 31 -5,-0.4 3,-1.0 -3,-0.3 -1,-0.2 0.506 70.1 54.7 -14.6 -55.0 -39.2 -31.3 -14.8 52 53 C D T 3 S+ 0 0 55 -3,-0.4 3,-0.1 1,-0.2 304,-0.0 -0.595 111.6 31.5 -81.0 166.9 -36.5 -29.7 -12.6 53 54 C R T 3 S+ 0 0 29 1,-0.2 18,-1.6 -2,-0.2 2,-0.5 0.703 100.7 106.5 60.0 20.0 -34.7 -26.7 -14.3 54 55 C A E < +G 70 0B 3 -3,-1.0 2,-0.3 16,-0.2 -1,-0.2 -0.995 46.0 137.4-121.1 114.4 -38.1 -26.3 -16.0 55 56 C D E -G 69 0B 40 14,-1.7 14,-0.9 -2,-0.5 2,-0.2 -0.984 34.5-152.5-160.0 153.2 -39.7 -23.4 -14.4 56 57 C S - 0 0 0 -2,-0.3 2,-0.6 12,-0.2 12,-0.1 -0.747 31.0 -91.8-130.0 169.9 -41.7 -20.3 -15.5 57 58 C R - 0 0 104 -2,-0.2 4,-0.4 1,-0.1 3,-0.3 -0.750 26.8-165.3 -96.5 120.1 -42.3 -16.8 -14.3 58 59 C R S > S+ 0 0 45 -2,-0.6 3,-0.8 1,-0.2 4,-0.3 0.781 81.0 63.5 -60.5 -40.1 -45.3 -16.3 -12.0 59 60 C S G > S+ 0 0 37 1,-0.2 3,-0.7 2,-0.1 4,-0.3 0.820 97.8 60.6 -60.0 -40.0 -45.7 -12.5 -12.1 60 61 C L G >>>S+ 0 0 43 -3,-0.3 5,-1.4 1,-0.2 4,-1.3 0.692 78.9 83.5 -60.1 -36.1 -46.5 -12.6 -15.9 61 62 C W G <45S+ 0 0 2 -3,-0.8 -1,-0.2 -4,-0.4 -38,-0.2 0.726 83.1 59.8 -59.7 -38.0 -49.6 -14.8 -15.8 62 63 C D G <45S+ 0 0 83 -3,-0.7 -1,-0.3 -4,-0.3 -40,-0.3 0.862 110.4 43.8 -60.1 -39.9 -52.1 -11.9 -15.0 63 64 C Q T <45S- 0 0 115 -3,-1.3 -42,-0.5 -4,-0.3 -1,-0.2 0.720 124.8-111.5 -60.1 -40.0 -50.9 -10.3 -18.3 64 65 C G T <5S+ 0 0 3 -4,-1.3 -47,-0.9 1,-0.3 2,-0.6 0.706 71.2 139.1 109.7 26.1 -51.2 -13.7 -19.9 65 66 C N B < +H 16 0C 46 -5,-1.4 -1,-0.3 -49,-0.2 -49,-0.2 -0.900 23.7 177.9-100.1 120.0 -47.6 -14.4 -20.5 66 67 C F - 0 0 0 -51,-1.2 -50,-0.1 -2,-0.6 -8,-0.1 -0.683 13.1-175.2-129.9 78.7 -46.8 -18.0 -19.6 67 68 C P - 0 0 1 0, 0.0 2,-0.4 0, 0.0 -53,-0.2 -0.179 19.7-140.8 -73.9 159.0 -43.0 -18.7 -20.4 68 69 C L E -F 13 0B 0 -55,-2.5 -55,-3.4 -12,-0.1 2,-0.4 -0.989 18.2-166.0-120.0 130.0 -41.1 -21.8 -20.3 69 70 C I E -FG 12 55B 21 -14,-0.9 -14,-1.7 -2,-0.4 2,-0.5 -0.991 8.3-171.6-120.0 123.9 -37.5 -21.6 -19.0 70 71 C I E -FG 11 54B 2 -59,-2.3 -59,-2.8 -2,-0.4 2,-0.3 -0.978 15.2-174.7-111.9 130.0 -35.0 -24.3 -19.4 71 72 C K + 0 0 23 -18,-1.6 -61,-0.2 -2,-0.5 -62,-0.1 -0.867 60.5 33.6-128.4 156.0 -31.9 -23.6 -17.4 72 73 C N S S- 0 0 25 -64,-0.4 -63,-0.2 -63,-0.4 -1,-0.2 0.960 95.1-144.1 60.0 51.6 -28.5 -25.4 -17.2 73 74 C L - 0 0 3 -64,-2.3 -65,-2.6 -3,-0.2 2,-0.3 -0.131 20.0-161.0 -60.0 140.0 -29.1 -26.3 -20.9 74 75 C K - 0 0 91 -67,-0.2 3,-0.4 1,-0.1 4,-0.3 -0.846 27.9-122.2-118.5 153.5 -28.1 -29.5 -22.4 75 76 C I S > S+ 0 0 26 -2,-0.3 3,-1.9 1,-0.2 21,-0.4 0.937 113.9 53.3 -60.0 -44.2 -27.6 -30.6 -26.0 76 77 C E T 3 S+ 0 0 113 1,-0.3 -1,-0.2 44,-0.1 -3,-0.0 0.694 96.0 71.4 -67.9 -19.4 -30.2 -33.4 -25.7 77 78 C D T 3 + 0 0 9 -3,-0.4 -1,-0.3 2,-0.1 -2,-0.2 0.686 67.2 113.2 -70.0 -20.0 -32.7 -30.8 -24.5 78 79 C S < + 0 0 19 -3,-1.9 2,-0.3 -4,-0.3 17,-0.2 -0.380 45.4 142.7 -59.9 132.0 -32.9 -29.2 -28.0 79 80 C D E - E 0 94A 36 15,-1.5 15,-3.5 -50,-0.0 2,-0.6 -0.919 61.3-101.6-160.0 170.2 -36.5 -30.0 -29.0 80 81 C T E - E 0 93A 53 -2,-0.3 2,-0.4 13,-0.3 13,-0.3 -0.968 51.0-159.6-100.0 122.6 -39.4 -28.4 -30.9 81 82 C Y E - E 0 92A 2 11,-3.4 11,-2.3 -2,-0.6 2,-0.5 -0.927 11.1-157.8-120.0 140.0 -41.7 -27.2 -27.9 82 83 C I E -BE 28 91A 46 -54,-4.5 -54,-1.9 -2,-0.4 2,-0.4 -0.952 2.9-163.6-119.9 120.0 -45.4 -26.4 -27.8 83 84 C a E -BE 27 90A 1 7,-1.6 7,-1.7 -2,-0.5 2,-0.5 -0.833 11.7-153.0-100.5 130.0 -47.3 -24.2 -25.4 84 85 C E E +BE 26 89A 25 -58,-2.2 -58,-1.0 -2,-0.4 2,-0.3 -0.898 23.5 156.3-110.3 116.6 -51.2 -24.4 -25.2 85 86 C V E > -BE 25 88A 2 3,-0.7 3,-1.6 -2,-0.5 -60,-0.2 -0.967 70.0 -10.3-136.5 139.9 -53.4 -21.5 -24.1 86 87 C E T 3 S- 0 0 66 -62,-0.7 -1,-0.1 -2,-0.3 3,-0.1 0.835 128.0 -55.0 40.0 50.0 -57.1 -20.9 -24.8 87 88 C D T 3 S+ 0 0 146 1,-0.2 2,-0.4 -3,-0.1 -1,-0.3 0.799 107.2 126.9 54.3 40.0 -57.1 -23.7 -27.4 88 89 C Q E < - E 0 85A 56 -3,-1.6 -3,-0.7 2,-0.0 2,-0.6 -0.929 51.3-143.8-120.1 140.0 -54.2 -22.3 -29.5 89 90 C K E + E 0 84A 125 -2,-0.4 2,-0.4 -5,-0.1 -5,-0.2 -0.905 21.8 176.0-107.2 125.7 -51.0 -24.2 -30.5 90 91 C E E - 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