==== 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 15-FEB-10 2X69 . COMPND 2 MOLECULE: C-C MOTIF CHEMOKINE 3; . SOURCE 2 SYNTHETIC: YES; . AUTHOR Q.GUO,M.REN,W.TANG . 330 5 10 10 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 17558.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 179 54.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 68 20.6 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 . 5 1.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 1 0.3 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 . 16 4.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 30 9.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 48 14.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), 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 . 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 0 0 0 0 0 0 0 3 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 0 0 0 PARALLEL BRIDGES PER LADDER . 0 0 2 5 5 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 ANTIPARALLEL BRIDGES PER LADDER . 2 5 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 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 4 A A 0 0 97 0, 0.0 2,-0.2 0, 0.0 3,-0.1 0.000 360.0 360.0 360.0 132.9 -43.6 66.1 -6.0 2 5 A A + 0 0 28 159,-0.5 161,-0.1 1,-0.1 159,-0.1 -0.847 360.0 75.3-160.8 162.7 -42.0 67.1 -2.5 3 6 A D S S+ 0 0 98 -2,-0.2 -1,-0.1 159,-0.1 3,-0.1 -0.345 85.0 136.0 -69.3 62.7 -39.5 68.2 -0.5 4 7 A T - 0 0 71 1,-0.1 -1,-0.1 -3,-0.1 159,-0.0 -0.535 66.7 -92.5 -80.7 148.3 -41.1 71.2 -2.3 5 8 A P - 0 0 123 0, 0.0 2,-0.4 0, 0.0 -1,-0.1 -0.249 39.9-132.9 -56.7 152.6 -41.9 74.3 -0.4 6 9 A T - 0 0 76 -3,-0.1 2,-0.4 131,-0.0 130,-0.1 -0.873 17.2-118.7-109.1 145.1 -45.3 74.5 1.0 7 10 A A + 0 0 46 -2,-0.4 22,-0.6 129,-0.1 2,-0.3 -0.676 34.4 177.2 -85.0 133.2 -47.5 77.6 0.6 8 11 A a - 0 0 47 -2,-0.4 2,-0.4 20,-0.1 40,-0.1 -0.945 23.1-129.1-132.2 155.3 -48.7 79.5 3.7 9 12 A b + 0 0 1 25,-0.3 25,-0.3 -2,-0.3 3,-0.1 -0.854 20.5 175.2-105.5 139.5 -50.7 82.6 4.3 10 13 A F S S+ 0 0 146 -2,-0.4 2,-0.3 1,-0.3 -1,-0.1 0.536 74.5 15.1-119.4 -10.5 -49.6 85.3 6.6 11 14 A S - 0 0 83 23,-0.1 2,-0.4 38,-0.0 -1,-0.3 -0.990 67.6-127.5-155.9 176.5 -52.4 87.5 5.8 12 15 A Y - 0 0 57 -2,-0.3 37,-0.2 -3,-0.1 24,-0.0 -0.893 32.3-101.8-123.3 142.1 -55.9 87.6 4.2 13 16 A T - 0 0 36 35,-2.8 37,-0.3 -2,-0.4 -1,-0.1 -0.202 25.8-145.2 -54.1 147.6 -57.5 89.8 1.6 14 17 A S S S+ 0 0 122 1,-0.1 2,-0.4 35,-0.1 -1,-0.1 0.790 75.8 53.0 -88.1 -33.5 -59.7 92.5 3.1 15 18 A R S S- 0 0 132 1,-0.0 -1,-0.1 0, 0.0 2,-0.1 -0.872 91.4-101.6-117.6 142.5 -62.3 92.7 0.5 16 19 A Q - 0 0 96 -2,-0.4 -2,-0.1 1,-0.1 3,-0.0 -0.327 38.3-126.5 -55.8 126.1 -64.5 90.0 -1.1 17 20 A I - 0 0 0 1,-0.1 5,-0.1 -2,-0.1 -1,-0.1 -0.673 33.0-101.7 -75.1 126.5 -63.1 89.0 -4.5 18 21 A P > - 0 0 45 0, 0.0 3,-1.6 0, 0.0 4,-0.2 -0.236 33.1-130.3 -44.9 130.6 -65.8 89.3 -7.2 19 22 A Q G > S+ 0 0 69 1,-0.3 3,-1.5 2,-0.2 -2,-0.1 0.754 100.0 64.7 -68.1 -26.1 -66.9 85.7 -7.7 20 23 A N G 3 S+ 0 0 119 1,-0.3 -1,-0.3 21,-0.0 22,-0.0 0.579 95.0 63.6 -76.2 -2.7 -66.7 85.6 -11.5 21 24 A F G < S+ 0 0 92 -3,-1.6 21,-2.1 20,-0.1 2,-0.3 0.599 80.2 106.0 -84.6 -15.1 -62.9 86.2 -11.2 22 25 A I E < +A 41 0A 14 -3,-1.5 19,-0.2 -4,-0.2 3,-0.1 -0.508 33.5 165.1 -78.6 126.6 -62.5 82.9 -9.4 23 26 A A E - 0 0 37 17,-2.8 2,-0.3 -2,-0.3 18,-0.2 0.733 64.7 -27.7-102.9 -30.4 -60.9 80.0 -11.3 24 27 A D E -A 40 0A 42 16,-1.7 16,-2.3 2,-0.0 -1,-0.3 -0.950 53.6-142.6-169.8 179.1 -60.0 77.6 -8.5 25 28 A Y E -A 39 0A 16 -2,-0.3 2,-0.3 14,-0.3 14,-0.2 -0.982 8.1-170.4-150.5 151.3 -59.1 77.2 -4.8 26 29 A F E -A 38 0A 38 12,-1.7 12,-3.3 -2,-0.3 2,-0.3 -0.987 23.3-119.6-145.5 163.0 -56.9 75.3 -2.4 27 30 A E E -A 37 0A 53 -2,-0.3 109,-0.5 10,-0.2 10,-0.2 -0.689 29.1-126.9 -85.1 141.9 -56.4 74.7 1.2 28 31 A T - 0 0 9 8,-2.5 8,-0.3 -2,-0.3 -20,-0.1 -0.575 39.2 -88.7 -82.9 153.5 -53.0 75.6 2.8 29 32 A S - 0 0 3 -22,-0.6 3,-0.5 -2,-0.2 -1,-0.1 -0.120 26.0-125.1 -52.2 153.8 -51.3 72.9 4.9 30 33 A S S S+ 0 0 43 1,-0.2 -1,-0.1 5,-0.1 50,-0.0 0.569 105.8 78.0 -75.7 -15.7 -52.1 72.6 8.6 31 34 A Q S S+ 0 0 121 2,-0.0 -1,-0.2 47,-0.0 -23,-0.1 0.860 78.2 93.7 -59.2 -29.2 -48.3 73.0 9.2 32 35 A a S S- 0 0 15 -3,-0.5 -22,-0.0 -25,-0.2 4,-0.0 -0.132 85.3-124.2 -62.7 157.4 -48.8 76.7 8.5 33 36 A S S S+ 0 0 101 -24,-0.1 -1,-0.1 2,-0.1 -23,-0.1 0.798 95.7 41.6 -60.2 -38.5 -49.4 79.1 11.5 34 37 A K S S- 0 0 73 -25,-0.3 -25,-0.3 -23,-0.0 2,-0.1 -0.868 88.2-116.6-118.9 142.9 -52.6 80.3 10.0 35 38 A P - 0 0 76 0, 0.0 2,-0.4 0, 0.0 17,-0.1 -0.539 45.7-173.2 -75.7 153.6 -55.3 78.4 8.4 36 39 A G - 0 0 1 -8,-0.3 -8,-2.5 -2,-0.1 2,-0.5 -0.957 36.2-158.3-153.4 150.1 -55.9 79.4 4.8 37 40 A V E -AB 27 49A 5 12,-2.9 12,-3.1 -2,-0.4 2,-0.8 -0.967 19.1-155.6-116.9 129.4 -57.6 79.3 1.5 38 41 A I E -AB 26 48A 8 -12,-3.3 -12,-1.7 -2,-0.5 2,-0.4 -0.858 7.8-158.8 -99.4 110.8 -55.8 80.2 -1.6 39 42 A F E -AB 25 47A 0 8,-2.7 8,-2.8 -2,-0.8 2,-0.5 -0.668 4.7-152.2 -80.4 136.2 -58.0 81.5 -4.5 40 43 A L E -AB 24 46A 55 -16,-2.3 -17,-2.8 -2,-0.4 -16,-1.7 -0.960 17.6-146.1-106.4 123.8 -56.6 81.2 -7.9 41 44 A T E > -A 22 0A 10 4,-2.8 3,-2.3 -2,-0.5 -19,-0.2 -0.379 27.1-104.3 -87.8 170.0 -58.0 83.9 -10.3 42 45 A K T 3 S+ 0 0 145 -21,-2.1 -20,-0.1 1,-0.3 -1,-0.1 0.910 126.4 49.1 -57.7 -41.4 -58.7 83.8 -14.0 43 46 A R T 3 S- 0 0 227 -22,-0.2 -1,-0.3 1,-0.1 -22,-0.0 0.285 124.0-107.4 -73.8 9.6 -55.6 85.9 -14.5 44 47 A S < + 0 0 84 -3,-2.3 -2,-0.1 1,-0.2 2,-0.1 0.490 66.5 152.1 67.4 4.2 -53.6 83.5 -12.3 45 48 A R - 0 0 135 -5,-0.1 -4,-2.8 1,-0.0 2,-0.5 -0.420 39.1-140.7 -51.3 137.1 -53.3 85.8 -9.3 46 49 A Q E -B 40 0A 133 -6,-0.2 2,-0.4 -2,-0.1 -6,-0.2 -0.942 21.7-171.1-101.3 123.4 -53.0 83.7 -6.0 47 50 A V E -B 39 0A 12 -8,-2.8 -8,-2.7 -2,-0.5 2,-0.3 -0.974 17.4-135.5-127.3 123.4 -55.0 85.4 -3.2 48 51 A b E -B 38 0A 37 -2,-0.4 -35,-2.8 -10,-0.2 2,-0.3 -0.535 29.4-177.0 -77.0 128.8 -54.9 84.4 0.5 49 52 A A E -B 37 0A 0 -12,-3.1 -12,-2.9 -2,-0.3 -40,-0.1 -0.953 32.1-107.4-133.5 151.3 -58.3 84.2 2.2 50 53 A D > - 0 0 40 -2,-0.3 3,-2.0 -37,-0.3 6,-0.3 -0.630 22.0-149.8 -76.9 113.0 -59.7 83.5 5.6 51 54 A P T 3 S+ 0 0 3 0, 0.0 -1,-0.1 0, 0.0 -15,-0.1 0.556 93.9 58.8 -59.4 -6.9 -61.4 80.0 5.7 52 55 A S T 3 S+ 0 0 78 -17,-0.1 2,-0.1 4,-0.1 -2,-0.0 0.632 79.5 97.1 -99.4 -15.5 -63.8 81.3 8.3 53 56 A E S <> S- 0 0 75 -3,-2.0 4,-1.6 1,-0.1 5,-0.1 -0.380 77.8-125.9 -78.9 149.7 -65.3 84.2 6.4 54 57 A E H > S+ 0 0 165 1,-0.2 4,-3.4 2,-0.2 5,-0.2 0.946 103.4 55.7 -69.4 -47.2 -68.7 83.3 4.8 55 58 A W H > S+ 0 0 27 1,-0.2 4,-3.0 2,-0.2 5,-0.2 0.860 108.3 49.6 -55.2 -35.4 -67.9 84.4 1.2 56 59 A V H > S+ 0 0 1 -6,-0.3 4,-2.4 2,-0.2 -1,-0.2 0.933 110.3 49.5 -71.0 -43.0 -64.9 82.1 1.1 57 60 A Q H X S+ 0 0 72 -4,-1.6 4,-2.7 1,-0.2 -2,-0.2 0.968 113.8 48.9 -55.6 -47.2 -67.0 79.1 2.5 58 61 A K H X S+ 0 0 104 -4,-3.4 4,-3.0 1,-0.2 -2,-0.2 0.930 110.7 47.2 -55.2 -50.4 -69.5 80.0 -0.2 59 62 A Y H X S+ 0 0 3 -4,-3.0 4,-1.6 1,-0.2 -1,-0.2 0.840 111.6 52.5 -67.0 -33.9 -67.0 80.2 -3.1 60 63 A V H X S+ 0 0 16 -4,-2.4 4,-2.1 -5,-0.2 -1,-0.2 0.953 109.2 48.2 -65.7 -50.2 -65.4 77.0 -2.1 61 64 A S H >X S+ 0 0 35 -4,-2.7 4,-2.5 1,-0.2 3,-0.5 0.962 109.1 53.5 -54.7 -54.0 -68.8 75.2 -2.0 62 65 A D H 3< S+ 0 0 70 -4,-3.0 -1,-0.2 1,-0.3 -2,-0.2 0.856 112.0 46.0 -52.1 -34.2 -69.7 76.6 -5.5 63 66 A L H >< S+ 0 0 26 -4,-1.6 3,-0.6 -5,-0.2 -1,-0.3 0.839 111.2 50.4 -79.6 -28.3 -66.4 75.3 -6.9 64 67 A E H << S+ 0 0 1 -4,-2.1 2,-1.8 -3,-0.5 -2,-0.2 0.959 102.8 60.6 -74.5 -44.2 -66.7 71.8 -5.3 65 68 A L T 3< 0 0 80 -4,-2.5 -1,-0.3 -5,-0.2 -2,-0.1 -0.235 360.0 360.0 -74.5 48.4 -70.3 71.3 -6.5 66 69 A S < 0 0 123 -2,-1.8 -3,-0.1 -3,-0.6 -2,-0.1 -0.650 360.0 360.0 178.6 360.0 -69.1 71.5 -10.3 67 !* 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 68 4 B A 0 0 91 0, 0.0 2,-0.3 0, 0.0 228,-0.1 0.000 360.0 360.0 360.0 135.1 -49.6 48.9 -11.7 69 5 B A + 0 0 35 226,-0.6 226,-0.2 1,-0.1 112,-0.1 -0.789 360.0 81.6-151.3 169.5 -46.5 48.9 -9.2 70 6 B D S S+ 0 0 11 -2,-0.3 112,-1.9 75,-0.1 77,-0.2 -0.378 79.3 145.8 -82.9 63.9 -43.5 49.6 -8.5 71 7 B T - 0 0 61 110,-0.2 74,-0.2 1,-0.1 110,-0.1 -0.333 58.4-101.4 -62.4 148.7 -45.5 52.8 -7.8 72 8 B P - 0 0 19 0, 0.0 2,-0.3 0, 0.0 71,-0.2 -0.470 39.9-124.4 -61.3 146.8 -44.6 55.2 -5.0 73 9 B T E -C 142 0B 22 69,-2.8 69,-2.5 -2,-0.1 2,-0.4 -0.755 19.9-118.1-100.3 141.8 -46.9 54.7 -2.0 74 10 B A E +C 141 0B 37 -2,-0.3 22,-0.6 67,-0.2 2,-0.4 -0.671 34.4 179.0 -82.7 127.1 -48.9 57.6 -0.5 75 11 B c E -C 140 0B 1 65,-1.9 65,-2.5 -2,-0.4 2,-0.4 -0.965 23.3-133.4-130.3 141.3 -48.1 58.6 3.2 76 12 B d + 0 0 1 25,-0.4 25,-0.2 -2,-0.4 24,-0.1 -0.770 22.1 173.0 -92.9 137.9 -49.6 61.4 5.4 77 13 B F S S+ 0 0 35 1,-0.4 2,-0.3 -2,-0.4 -1,-0.1 0.521 74.7 12.2-122.9 -12.6 -47.1 63.5 7.4 78 14 B S S S- 0 0 18 59,-0.1 -1,-0.4 23,-0.0 2,-0.3 -0.964 75.0-124.3-152.7 174.4 -49.7 65.9 8.6 79 15 B Y - 0 0 40 -2,-0.3 37,-0.3 -3,-0.1 24,-0.0 -0.908 27.4-104.1-128.1 144.9 -53.5 66.2 8.7 80 16 B T - 0 0 7 35,-3.2 37,-0.3 -2,-0.3 -51,-0.1 -0.149 27.6-156.5 -59.9 155.6 -56.0 68.7 7.6 81 17 B S S S+ 0 0 88 1,-0.2 2,-0.5 35,-0.1 -1,-0.1 0.518 71.0 65.4-122.9 -5.2 -57.3 70.7 10.4 82 18 B R S S- 0 0 95 0, 0.0 -1,-0.2 0, 0.0 -2,-0.0 -0.985 90.2-115.9-109.9 124.7 -60.6 71.9 9.3 83 19 B Q - 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0 0 11 8,-2.4 8,-0.3 -2,-0.4 -20,-0.1 -0.435 42.7 -87.0 -78.6 155.4 -52.7 54.9 3.6 96 32 B S > - 0 0 4 -22,-0.6 3,-1.6 1,-0.1 -1,-0.1 -0.202 27.2-123.3 -58.8 149.9 -50.4 51.8 3.6 97 33 B S T 3 S+ 0 0 40 1,-0.3 -1,-0.1 -3,-0.1 -2,-0.1 0.638 109.2 71.5 -70.8 -13.4 -49.4 50.3 6.8 98 34 B Q T 3 S+ 0 0 89 114,-0.0 -1,-0.3 2,-0.0 -23,-0.1 0.780 77.9 95.4 -68.5 -29.0 -45.8 50.9 5.6 99 35 B c S < S- 0 0 12 -3,-1.6 -24,-0.0 -25,-0.2 4,-0.0 -0.085 85.7-122.5 -54.3 163.2 -46.2 54.6 6.1 100 36 B S S S+ 0 0 92 -24,-0.1 -1,-0.1 1,-0.1 -23,-0.1 0.691 94.1 37.7 -85.4 -15.8 -45.0 55.9 9.5 101 37 B K S S- 0 0 79 -25,-0.2 -25,-0.4 -23,-0.0 2,-0.1 -0.938 87.3-111.3-130.8 152.7 -48.3 57.3 10.4 102 38 B P + 0 0 62 0, 0.0 2,-0.3 0, 0.0 17,-0.1 -0.462 47.2 167.6 -72.3 157.0 -51.9 56.1 9.8 103 39 B G - 0 0 1 -8,-0.3 -8,-2.4 14,-0.1 2,-0.4 -0.979 36.4-145.3-164.9 163.9 -54.0 58.1 7.4 104 40 B V E -DE 94 116C 2 12,-1.7 12,-2.0 -2,-0.3 2,-0.7 -0.996 15.4-155.5-127.5 131.4 -57.0 58.7 5.3 105 41 B I E -DE 93 115C 8 -12,-2.4 -12,-1.6 -2,-0.4 2,-0.3 -0.928 11.6-158.7-103.1 117.9 -56.8 60.5 2.1 106 42 B F E -DE 92 114C 0 8,-2.6 8,-3.0 -2,-0.7 2,-0.5 -0.731 4.6-149.5 -88.2 143.8 -60.2 61.9 1.2 107 43 B L E -DE 91 113C 41 -16,-2.4 -17,-2.7 -2,-0.3 -16,-1.5 -0.965 16.9-146.6-111.2 127.8 -60.7 62.7 -2.6 108 44 B T E > -D 89 0C 3 4,-2.4 3,-2.0 -2,-0.5 -19,-0.2 -0.381 28.7-100.1 -93.8-180.0 -63.0 65.6 -3.1 109 45 B K T 3 S+ 0 0 107 -21,-1.7 -20,-0.1 1,-0.3 -1,-0.1 0.819 128.2 47.4 -69.9 -24.2 -65.5 66.3 -5.9 110 46 B R T 3 S- 0 0 65 -22,-0.2 -1,-0.3 2,-0.1 -45,-0.0 0.318 123.2-106.9 -92.7 5.3 -63.0 68.5 -7.5 111 47 B S < + 0 0 84 -3,-2.0 2,-0.2 1,-0.3 -2,-0.1 0.591 64.4 151.5 76.6 11.4 -60.2 65.9 -7.0 112 48 B R - 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