==== 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 CYTOKINE 24-JUL-09 3IFD . COMPND 2 MOLECULE: C-C MOTIF CHEMOKINE 2; . SOURCE 2 SYNTHETIC: YES; . AUTHOR A.TEPLYAKOV,G.OBMOLOVA,G.L.GILLILAND . 66 1 2 2 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 5032.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 34 51.5 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 . 13 19.7 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 . 1 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 . 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 . 5 7.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 4 6.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 11 16.7 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 0 1 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 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 ANTIPARALLEL BRIDGES PER LADDER . 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 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 5 A I 0 0 204 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -49.9 33.3 0.6 -5.8 2 6 A N + 0 0 158 2,-0.1 3,-0.0 0, 0.0 0, 0.0 0.057 360.0 120.5-109.7 14.6 31.6 3.6 -4.1 3 7 A A S S- 0 0 75 1,-0.1 2,-0.0 0, 0.0 0, 0.0 -0.607 73.1-109.1 -71.9 139.9 30.0 1.1 -1.8 4 8 A P - 0 0 121 0, 0.0 2,-0.6 0, 0.0 -1,-0.1 -0.365 25.2-128.2 -65.4 155.0 30.9 1.8 1.8 5 9 A V - 0 0 93 -3,-0.0 2,-0.5 26,-0.0 0, 0.0 -0.943 25.8-173.2-108.0 114.4 33.2 -0.7 3.6 6 10 A T + 0 0 54 -2,-0.6 2,-0.3 2,-0.0 23,-0.2 -0.926 9.3 167.5-108.1 127.4 31.9 -2.0 7.0 7 11 A a - 0 0 25 -2,-0.5 2,-0.4 24,-0.1 28,-0.1 -0.926 29.7-132.7-132.5 160.0 34.1 -4.1 9.3 8 12 A b + 0 0 4 26,-0.4 26,-0.3 -2,-0.3 3,-0.1 -0.951 18.1 178.9-111.5 132.3 33.9 -5.3 12.9 9 13 A Y S S+ 0 0 175 -2,-0.4 2,-0.3 1,-0.2 -1,-0.1 0.525 71.1 27.0-112.1 -13.8 37.1 -5.0 15.0 10 14 A N S S- 0 0 125 39,-0.0 2,-0.4 0, 0.0 -1,-0.2 -0.964 71.5-138.1-140.2 160.0 35.8 -6.4 18.2 11 15 A F - 0 0 36 -2,-0.3 38,-0.3 -3,-0.1 25,-0.0 -0.943 30.5-101.8-118.3 139.6 33.0 -8.9 19.1 12 16 A T - 0 0 35 36,-3.3 38,-0.4 -2,-0.4 4,-0.0 -0.206 18.1-154.7 -54.5 146.0 30.5 -8.6 21.9 13 17 A N S S+ 0 0 144 36,-0.1 2,-0.3 2,-0.1 -1,-0.1 0.306 71.6 72.0-104.3 4.4 31.1 -10.6 25.1 14 18 A R S S- 0 0 192 0, 0.0 2,-0.5 0, 0.0 -2,-0.1 -0.909 82.6-114.9-122.5 149.8 27.5 -10.7 26.2 15 19 A K - 0 0 140 -2,-0.3 2,-0.5 1,-0.0 -2,-0.1 -0.719 28.7-140.5 -79.5 124.7 24.4 -12.6 24.8 16 20 A I - 0 0 14 -2,-0.5 5,-0.1 1,-0.1 -1,-0.0 -0.784 25.6-110.3 -86.4 125.6 21.8 -10.2 23.4 17 21 A S >> - 0 0 35 -2,-0.5 3,-2.0 1,-0.2 4,-0.5 -0.285 17.3-128.7 -50.7 131.5 18.2 -11.2 24.3 18 22 A V T 34 S+ 0 0 54 1,-0.3 3,-0.4 2,-0.2 -1,-0.2 0.692 110.1 66.3 -54.7 -19.4 16.3 -12.4 21.2 19 23 A Q T 34 S+ 0 0 140 1,-0.2 -1,-0.3 22,-0.0 -2,-0.1 0.766 99.1 49.1 -73.6 -28.5 13.7 -9.8 22.4 20 24 A R T <4 S+ 0 0 139 -3,-2.0 22,-2.8 21,-0.1 2,-0.4 0.497 93.9 96.2 -89.2 -6.9 16.1 -6.9 21.7 21 25 A L E < +A 41 0A 11 -4,-0.5 20,-0.3 -3,-0.4 3,-0.1 -0.729 35.4 167.4 -97.8 133.9 17.0 -8.0 18.2 22 26 A A E - 0 0 58 18,-3.2 2,-0.2 -2,-0.4 19,-0.2 0.811 66.2 -28.4-102.1 -54.4 15.4 -6.8 15.0 23 27 A S E -A 40 0A 55 17,-1.4 17,-2.9 2,-0.0 -1,-0.4 -0.821 50.9-151.1-145.6-174.8 17.8 -8.0 12.2 24 28 A Y E -A 39 0A 61 15,-0.3 2,-0.3 -2,-0.2 15,-0.2 -0.965 2.0-162.4-152.1 162.1 21.4 -9.0 11.4 25 29 A R E -A 38 0A 115 13,-1.6 13,-2.8 -2,-0.3 2,-0.4 -0.974 20.7-121.9-137.8 159.8 23.8 -9.1 8.4 26 30 A R E -A 37 0A 122 -2,-0.3 2,-0.6 11,-0.2 11,-0.2 -0.778 9.5-146.4 -96.1 140.5 27.1 -10.9 7.8 27 31 A I E +A 36 0A 10 9,-2.8 9,-1.9 -2,-0.4 -20,-0.0 -0.939 32.9 153.1 -98.8 122.9 30.4 -9.4 7.0 28 32 A T + 0 0 94 -2,-0.6 -1,-0.1 7,-0.2 7,-0.1 0.412 26.1 131.1-125.2 -7.1 32.4 -11.6 4.7 29 33 A S > - 0 0 45 -23,-0.2 3,-1.1 1,-0.1 5,-0.1 -0.147 57.5-138.3 -56.3 141.5 34.6 -9.0 2.8 30 34 A S T 3 S+ 0 0 119 1,-0.2 -1,-0.1 3,-0.0 5,-0.0 0.513 99.6 75.1 -76.4 -6.4 38.3 -9.7 2.6 31 35 A K T 3 S+ 0 0 155 -25,-0.1 -1,-0.2 3,-0.0 -24,-0.1 0.693 88.7 75.0 -73.7 -20.4 38.9 -6.0 3.3 32 36 A a S < S- 0 0 13 -3,-1.1 3,-0.1 -26,-0.1 -23,-0.1 -0.611 89.7-121.5 -93.6 153.1 38.0 -6.9 7.0 33 37 A P S S- 0 0 83 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.803 89.8 -7.9 -62.5 -31.0 40.2 -8.7 9.5 34 38 A K S S- 0 0 115 -26,-0.3 -26,-0.4 -5,-0.1 2,-0.2 -0.991 80.3 -80.4-157.8 168.1 37.6 -11.4 9.9 35 39 A E + 0 0 119 -2,-0.3 2,-0.3 -7,-0.1 -7,-0.2 -0.508 56.0 174.8 -68.8 137.9 34.1 -12.7 9.2 36 40 A A E -A 27 0A 1 -9,-1.9 -9,-2.8 -2,-0.2 2,-0.4 -0.908 32.7-131.4-144.0 165.5 31.4 -11.1 11.5 37 41 A V E -AB 26 49A 0 12,-1.9 12,-2.8 -2,-0.3 2,-0.6 -0.966 14.9-160.7-115.4 136.6 27.8 -10.7 12.4 38 42 A I E -AB 25 48A 8 -13,-2.8 -13,-1.6 -2,-0.4 2,-0.2 -0.948 10.9-162.0-115.2 109.5 26.3 -7.3 13.0 39 43 A F E -AB 24 47A 0 8,-2.5 8,-2.2 -2,-0.6 2,-0.5 -0.622 6.4-148.1 -81.2 147.8 23.0 -7.6 14.9 40 44 A K E -AB 23 46A 83 -17,-2.9 -18,-3.2 -2,-0.2 -17,-1.4 -0.984 15.6-140.6-116.7 132.1 20.7 -4.7 14.9 41 45 A T E > -A 21 0A 15 4,-2.6 3,-2.2 -2,-0.5 -20,-0.3 -0.289 29.3-100.7 -86.5 170.2 18.6 -4.1 18.0 42 46 A I T 3 S+ 0 0 116 -22,-2.8 -21,-0.1 1,-0.3 -1,-0.1 0.360 128.7 53.9 -70.6 5.9 14.9 -3.0 18.3 43 47 A V T 3 S- 0 0 123 -23,-0.3 -1,-0.3 2,-0.1 -22,-0.1 0.063 123.7-108.8-120.5 14.8 16.5 0.5 19.0 44 48 A A < + 0 0 68 -3,-2.2 2,-0.3 1,-0.2 -2,-0.1 0.718 68.4 150.5 62.9 24.9 18.5 0.3 15.8 45 49 A K - 0 0 133 2,-0.0 -4,-2.6 1,-0.0 2,-0.5 -0.674 39.5-137.2 -84.4 141.4 21.8 -0.2 17.6 46 50 A E E -B 40 0A 102 -2,-0.3 2,-0.4 -6,-0.2 -6,-0.2 -0.898 21.7-177.9-110.2 124.2 24.5 -2.2 15.8 47 51 A I E -B 39 0A 31 -8,-2.2 -8,-2.5 -2,-0.5 2,-0.3 -0.981 22.4-133.1-127.6 123.2 26.6 -4.8 17.6 48 52 A b E -B 38 0A 32 -2,-0.4 -36,-3.3 -10,-0.2 2,-0.3 -0.577 30.7-176.5 -71.8 130.2 29.5 -6.9 16.3 49 53 A A E -B 37 0A 0 -12,-2.8 -12,-1.9 -2,-0.3 -36,-0.1 -0.976 32.2-103.6-137.3 145.5 29.2 -10.6 17.2 50 54 A D > - 0 0 42 -38,-0.4 3,-1.8 -2,-0.3 6,-0.3 -0.525 21.0-154.2 -70.0 113.0 31.4 -13.7 16.7 51 55 A P T 3 S+ 0 0 18 0, 0.0 -1,-0.2 0, 0.0 6,-0.1 0.734 93.0 61.8 -60.9 -21.2 29.9 -15.9 13.9 52 56 A K T 3 S+ 0 0 166 4,-0.1 2,-0.3 5,-0.0 -2,-0.1 0.578 82.7 99.8 -80.5 -13.3 31.5 -19.0 15.5 53 57 A Q S <> S- 0 0 69 -3,-1.8 4,-2.3 1,-0.1 3,-0.2 -0.585 72.0-137.4 -80.2 136.4 29.6 -18.7 18.7 54 58 A K H > S+ 0 0 148 -2,-0.3 4,-2.6 1,-0.2 5,-0.2 0.850 103.5 53.3 -58.8 -39.9 26.5 -20.9 19.3 55 59 A W H > S+ 0 0 31 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.876 109.6 49.3 -64.5 -39.0 24.4 -18.1 20.8 56 60 A V H > S+ 0 0 0 -6,-0.3 4,-2.0 2,-0.2 -2,-0.2 0.946 113.0 46.0 -62.3 -52.3 25.1 -15.9 17.7 57 61 A Q H X S+ 0 0 89 -4,-2.3 4,-2.0 1,-0.2 -2,-0.2 0.881 112.9 51.3 -58.1 -41.2 24.2 -18.8 15.3 58 62 A D H X S+ 0 0 68 -4,-2.6 4,-1.9 2,-0.2 -1,-0.2 0.844 109.3 50.1 -63.4 -38.1 21.0 -19.5 17.4 59 63 A S H X S+ 0 0 2 -4,-1.9 4,-2.3 2,-0.2 -2,-0.2 0.858 109.7 49.6 -71.4 -38.4 19.9 -15.8 17.2 60 64 A M H X S+ 0 0 4 -4,-2.0 4,-2.3 2,-0.2 -2,-0.2 0.891 110.9 50.9 -64.7 -42.8 20.4 -15.7 13.5 61 65 A D H X S+ 0 0 76 -4,-2.0 4,-1.2 2,-0.2 -2,-0.2 0.892 110.6 49.8 -58.1 -42.6 18.3 -18.9 13.2 62 66 A H H X S+ 0 0 76 -4,-1.9 4,-0.9 1,-0.2 3,-0.3 0.915 112.5 46.2 -61.8 -47.0 15.6 -17.2 15.4 63 67 A L H < S+ 0 0 34 -4,-2.3 -2,-0.2 3,-0.3 -1,-0.2 0.791 105.8 59.5 -67.7 -31.4 15.7 -14.1 13.2 64 68 A D H < S+ 0 0 104 -4,-2.3 -1,-0.2 -5,-0.1 -2,-0.2 0.825 127.3 17.2 -62.6 -32.8 15.5 -16.3 10.0 65 69 A K H < 0 0 167 -4,-1.2 -2,-0.2 -3,-0.3 -3,-0.2 0.777 360.0 360.0 -98.9 -86.1 12.2 -17.7 11.4 66 70 A Q < 0 0 88 -4,-0.9 -3,-0.3 -5,-0.2 -4,-0.1 0.997 360.0 360.0 -63.2 360.0 10.9 -15.3 14.2