==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=19-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER GLYCOPROTEIN 18-DEC-96 1WIQ . COMPND 2 MOLECULE: T-CELL SURFACE GLYCOPROTEIN CD4; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR H.WU,P.D.KWONG,W.A.HENDRICKSON . 726 4 4 4 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 39329.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 491 67.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 36 5.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 253 34.8 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 4 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 14 1.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 4 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 3 0.4 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 . 118 16.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 41 5.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 5 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 0.6 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 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 RESIDUES PER ALPHA HELIX . 0 2 0 0 0 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 PARALLEL BRIDGES PER LADDER . 9 4 7 17 4 6 5 0 0 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 . 4 5 4 0 2 0 0 2 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 A K 0 0 158 0, 0.0 2,-0.5 0, 0.0 92,-0.2 0.000 360.0 360.0 360.0-147.3 56.2 71.2 150.0 2 2 A K E +a 93 0A 60 90,-1.7 92,-3.5 1,-0.1 2,-0.6 -0.478 360.0 177.7 -68.5 108.0 54.6 71.1 153.4 3 3 A V E +a 94 0A 23 -2,-0.5 2,-0.4 90,-0.2 92,-0.2 -0.931 5.9 172.7-116.6 98.2 53.0 67.7 153.6 4 4 A V E -a 95 0A 51 90,-1.9 92,-1.8 -2,-0.6 2,-0.2 -0.892 19.0-145.0-108.2 143.2 51.6 67.2 157.1 5 5 A L E -a 96 0A 21 -2,-0.4 2,-0.3 90,-0.2 92,-0.3 -0.629 17.1-174.4-103.0 164.2 49.4 64.3 158.1 6 6 A G E -a 97 0A 4 90,-1.3 92,-0.7 -2,-0.2 2,-0.3 -0.946 21.3-115.6-151.2 170.3 46.5 64.3 160.5 7 7 A K E > -a 98 0A 58 4,-0.4 3,-1.4 -2,-0.3 67,-0.3 -0.828 41.8 -93.1-114.3 148.5 44.0 62.0 162.2 8 8 A K T 3 S- 0 0 119 90,-1.3 67,-0.2 -2,-0.3 65,-0.1 -0.370 110.0 -1.5 -59.2 133.1 40.2 61.9 161.7 9 9 A G T 3 S+ 0 0 39 65,-2.2 64,-0.3 63,-0.2 -1,-0.3 0.328 113.6 104.1 70.1 -12.3 38.4 64.1 164.1 10 10 A D S < S- 0 0 71 -3,-1.4 64,-1.4 64,-0.2 2,-0.3 0.354 71.1-122.9 -73.7-147.5 41.8 65.0 165.7 11 11 A T - 0 0 72 62,-0.2 -4,-0.4 -3,-0.1 2,-0.3 -0.920 20.8-161.2-152.0 174.7 43.2 68.4 164.8 12 12 A V E -F 71 0B 18 59,-1.3 59,-1.9 -2,-0.3 2,-0.5 -0.972 14.4-130.3-159.8 156.3 46.3 69.8 163.2 13 13 A E E -F 70 0B 73 -2,-0.3 2,-0.6 57,-0.2 57,-0.2 -0.948 12.3-154.9-121.6 119.7 48.2 73.0 163.0 14 14 A L E -F 69 0B 2 55,-2.8 55,-2.1 -2,-0.5 2,-0.1 -0.763 20.7-136.6 -91.2 122.1 49.4 74.5 159.8 15 15 A T + 0 0 62 -2,-0.6 2,-0.2 53,-0.2 69,-0.1 -0.373 31.4 159.0 -78.5 160.1 52.3 76.8 160.2 16 16 A C + 0 0 1 -2,-0.1 51,-2.1 2,-0.1 2,-0.3 -0.732 12.0 132.3 178.0 117.5 52.8 80.1 158.5 17 17 A T - 0 0 49 -2,-0.2 2,-0.3 49,-0.2 49,-0.1 -0.761 22.5-172.3-147.6-158.9 55.0 83.0 159.5 18 18 A A > - 0 0 33 -2,-0.3 3,-0.5 1,-0.1 -2,-0.1 -0.926 39.6 -74.2 173.5 179.4 57.4 85.1 157.6 19 19 A S T 3 S+ 0 0 101 -2,-0.3 2,-2.8 1,-0.2 -1,-0.1 0.174 108.5 61.2 -74.0-150.2 60.0 87.8 158.5 20 20 A Q T 3 S- 0 0 76 1,-0.2 2,-1.7 3,-0.0 -1,-0.2 0.150 79.2-159.2 55.9 -28.7 58.6 91.2 159.5 21 21 A K < + 0 0 122 -2,-2.8 44,-0.6 -3,-0.5 -1,-0.2 0.288 45.3 121.3 40.7 -3.2 56.9 89.4 162.4 22 22 A K S S- 0 0 128 -2,-1.7 2,-0.8 42,-0.2 42,-0.1 -0.429 81.8 -79.9 -88.8 159.8 54.3 92.2 163.0 23 23 A S S S+ 0 0 61 40,-0.2 2,-0.2 -2,-0.1 -1,-0.1 -0.405 73.1 155.4 -58.2 100.4 50.5 91.8 162.9 24 24 A I - 0 0 23 -2,-0.8 16,-0.0 38,-0.2 41,-0.0 -0.744 47.0 -75.5-125.3 172.7 50.0 91.9 159.1 25 25 A Q + 0 0 112 -2,-0.2 62,-0.8 15,-0.0 2,-0.3 -0.315 54.0 159.1 -66.0 152.9 47.5 90.7 156.6 26 26 A F E -B 86 0A 0 60,-0.2 13,-0.9 13,-0.1 2,-0.3 -0.946 18.0-164.1-165.6 159.3 47.4 87.0 155.7 27 27 A H E -BC 85 38A 32 58,-1.0 58,-2.5 -2,-0.3 2,-0.6 -0.873 13.0-145.5-162.7 125.9 45.0 84.6 154.2 28 28 A W E +BC 84 37A 0 9,-1.9 8,-3.2 -2,-0.3 9,-0.7 -0.832 27.3 169.3 -89.6 121.8 44.6 80.9 154.0 29 29 A K E -BC 83 35A 25 54,-2.4 54,-3.5 -2,-0.6 6,-0.2 -0.986 27.1-129.0-134.0 142.5 43.1 79.6 150.8 30 30 A N E > -B 82 0A 18 4,-2.0 3,-2.5 -2,-0.4 4,-0.3 -0.322 45.7 -84.9 -81.2 174.5 42.9 76.0 149.5 31 31 A S T 3 S+ 0 0 58 50,-1.8 51,-0.1 1,-0.3 -1,-0.1 0.696 129.0 67.3 -53.9 -14.4 43.9 74.9 146.0 32 32 A N T 3 S- 0 0 102 2,-0.2 -1,-0.3 49,-0.1 3,-0.1 0.243 114.9-117.1 -90.7 14.5 40.4 76.0 145.0 33 33 A Q < + 0 0 92 -3,-2.5 2,-0.4 1,-0.2 -2,-0.1 0.631 68.5 142.5 54.2 27.8 41.4 79.6 145.8 34 34 A I - 0 0 60 -4,-0.3 -4,-2.0 13,-0.0 2,-0.7 -0.757 54.9-118.7 -99.4 136.6 38.8 79.7 148.5 35 35 A K E -C 29 0A 86 -2,-0.4 14,-0.5 -6,-0.2 -6,-0.3 -0.612 23.6-172.9 -80.8 107.8 39.6 81.6 151.6 36 36 A I E S- 0 0 1 -8,-3.2 11,-2.5 -2,-0.7 2,-0.3 0.996 70.5 -30.1 -61.1 -63.5 39.5 79.5 154.7 37 37 A L E +CD 28 46A 1 -9,-0.7 -9,-1.9 9,-0.4 9,-0.3 -0.984 66.0 176.3-154.9 153.6 40.0 82.3 157.1 38 38 A G E -CD 27 45A 8 7,-1.3 7,-3.4 -2,-0.3 2,-0.3 -0.777 19.5-110.0-146.4-170.2 41.6 85.7 157.1 39 39 A N E + D 0 44A 12 -13,-0.9 5,-0.2 -2,-0.2 3,-0.1 -0.799 20.9 177.3-131.9 172.4 42.2 88.9 159.1 40 40 A Q E > S- D 0 43A 62 3,-0.9 3,-1.0 1,-0.8 2,-0.2 -0.455 77.9 -55.2-169.0 74.6 41.3 92.5 159.4 41 41 A G T 3 S- 0 0 49 1,-0.3 -1,-0.8 -18,-0.0 -17,-0.0 -0.537 114.9 -23.3 79.4-145.8 43.0 93.7 162.6 42 42 A S T 3 S+ 0 0 81 -2,-0.2 2,-0.7 -3,-0.1 -1,-0.3 0.774 116.6 102.2 -68.8 -24.3 42.2 91.8 165.7 43 43 A F E < -D 40 0A 146 -3,-1.0 -3,-0.9 1,-0.1 2,-0.4 -0.479 65.2-154.4 -68.0 104.1 39.0 90.7 164.0 44 44 A L E -D 39 0A 41 -2,-0.7 2,-0.3 -5,-0.2 -5,-0.2 -0.688 15.1-170.1 -82.1 134.8 39.6 87.2 162.8 45 45 A T E -D 38 0A 66 -7,-3.4 -7,-1.3 -2,-0.4 2,-0.2 -0.774 10.8-163.7-125.1 166.5 37.5 86.1 159.8 46 46 A K E -D 37 0A 72 -9,-0.3 -9,-0.4 -2,-0.3 -10,-0.2 -0.714 18.7-112.7-134.8-175.3 36.7 82.9 157.8 47 47 A G - 0 0 9 -11,-2.5 5,-0.1 -2,-0.2 -11,-0.1 -0.597 28.3-101.8-122.1-178.6 35.3 82.0 154.4 48 48 A P S S+ 0 0 121 0, 0.0 -12,-0.1 0, 0.0 -1,-0.0 0.649 81.0 122.9 -73.2 -19.1 32.3 80.3 152.7 49 49 A S S > S- 0 0 11 -14,-0.5 3,-2.1 1,-0.1 -2,-0.1 0.011 81.6-109.3 -45.0 149.9 34.4 77.2 152.3 50 50 A K T 3 S+ 0 0 158 1,-0.3 -1,-0.1 2,-0.1 3,-0.1 0.785 117.8 65.1 -52.7 -28.9 33.2 73.9 153.7 51 51 A L T > S+ 0 0 11 1,-0.1 3,-1.4 2,-0.1 4,-0.3 0.748 74.6 120.6 -67.0 -28.1 36.0 74.2 156.3 52 52 A N G X S+ 0 0 54 -3,-2.1 3,-2.6 1,-0.3 2,-2.4 0.548 71.4 25.9 2.8-113.0 34.4 77.3 157.8 53 53 A D G 3 S+ 0 0 116 1,-0.3 -1,-0.3 -3,-0.1 -2,-0.1 0.004 117.7 60.9 -63.5 30.4 33.5 76.9 161.5 54 54 A R G < S+ 0 0 21 -2,-2.4 18,-2.9 -3,-1.4 -1,-0.3 0.273 89.3 82.8-134.0 0.3 36.2 74.3 162.2 55 55 A A E < +G 71 0B 0 -3,-2.6 2,-0.3 -4,-0.3 16,-0.2 -0.722 53.5 165.5-103.9 156.5 39.1 76.5 161.2 56 56 A D E -G 70 0B 44 14,-1.2 14,-4.1 -2,-0.3 2,-0.3 -0.970 22.1-150.6-167.8 153.8 40.8 78.9 163.5 57 57 A S - 0 0 0 -2,-0.3 2,-1.1 12,-0.2 12,-0.2 -0.957 29.3-112.1-131.1 148.5 43.9 81.0 163.9 58 58 A R > - 0 0 91 -2,-0.3 4,-0.9 10,-0.2 8,-0.0 -0.682 23.7-169.7 -86.2 99.5 45.7 82.2 167.1 59 59 A R H >> S+ 0 0 115 -2,-1.1 4,-0.9 2,-0.2 3,-0.5 0.845 86.9 54.4 -55.2 -38.4 45.3 85.9 167.4 60 60 A S H >> S+ 0 0 95 1,-0.3 3,-1.5 2,-0.2 4,-0.5 0.998 108.8 46.5 -60.5 -57.1 47.8 86.1 170.2 61 61 A L H 34>S+ 0 0 44 1,-0.3 5,-1.1 2,-0.2 3,-0.3 0.647 98.7 78.6 -59.1 -11.0 50.4 84.3 168.2 62 62 A W H X<5S+ 0 0 4 -4,-0.9 3,-1.8 -3,-0.5 -1,-0.3 0.931 83.9 58.0 -62.6 -48.7 49.5 86.7 165.4 63 63 A D H <<5S+ 0 0 112 -3,-1.5 -1,-0.2 -4,-0.9 -40,-0.2 0.812 103.6 54.9 -50.0 -36.5 51.5 89.5 167.0 64 64 A Q T 3<5S- 0 0 122 -4,-0.5 -1,-0.3 -3,-0.3 -42,-0.2 0.008 127.8 -91.5 -87.8 22.7 54.7 87.4 166.7 65 65 A G T < 5S+ 0 0 1 -3,-1.8 2,-0.3 -44,-0.6 -3,-0.2 0.047 87.4 124.2 93.6 -33.3 54.4 86.7 163.0 66 66 A N < + 0 0 33 -5,-1.1 -1,-0.3 -45,-0.1 -49,-0.2 -0.529 30.8 177.5 -71.4 139.2 52.3 83.4 163.1 67 67 A F - 0 0 1 -51,-2.1 -1,-0.1 -2,-0.3 -50,-0.1 -0.645 30.1-175.1-132.0 60.3 49.2 83.4 161.2 68 68 A P - 0 0 1 0, 0.0 2,-0.5 0, 0.0 -10,-0.2 -0.243 21.2-138.6 -65.6 152.2 48.5 79.7 162.1 69 69 A L E -F 14 0B 0 -55,-2.1 -55,-2.8 -12,-0.2 2,-0.6 -0.957 16.0-170.3-117.6 116.7 45.7 77.5 160.8 70 70 A I E -FG 13 56B 43 -14,-4.1 -14,-1.2 -2,-0.5 2,-0.6 -0.929 1.4-168.0-111.4 119.8 44.0 75.2 163.3 71 71 A I E -FG 12 55B 0 -59,-1.9 -59,-1.3 -2,-0.6 3,-0.3 -0.959 7.8-167.6-109.7 122.3 41.5 72.7 161.9 72 72 A K + 0 0 76 -18,-2.9 3,-0.3 -2,-0.6 -63,-0.2 -0.131 65.6 23.9 -89.2-165.4 39.4 71.0 164.5 73 73 A N S S- 0 0 108 -64,-0.3 -1,-0.2 1,-0.2 -62,-0.2 0.567 90.3-134.3 1.8 69.5 37.2 67.9 163.9 74 74 A L - 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