==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=8-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER CYTOKINE 23-JAN-03 1NR4 . COMPND 2 MOLECULE: THYMUS AND ACTIVATION-REGULATED CHEMOKINE; . SOURCE 2 SYNTHETIC: YES; . AUTHOR O.A.ASOJO,C.BOULEGUE,D.M.HOOVER,W.LU,J.LUBKOWSKI . 524 8 16 16 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 32549.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 337 64.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 6 1.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 114 21.8 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 . 8 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 . 35 6.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 56 10.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 93 17.7 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 3 1 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 0 0 0 0 PARALLEL BRIDGES PER LADDER . 0 0 3 9 8 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 . 4 8 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 2 A R 0 0 260 0, 0.0 3,-0.1 0, 0.0 4,-0.0 0.000 360.0 360.0 360.0 38.3 8.6 -13.4 4.9 2 3 A G + 0 0 58 1,-0.3 2,-0.3 3,-0.1 5,-0.0 0.671 360.0 103.3 75.0 16.8 11.7 -11.9 3.3 3 4 A T S S- 0 0 68 2,-0.2 -1,-0.3 1,-0.0 29,-0.1 -0.784 82.4-112.8-132.3 166.5 10.6 -12.9 -0.1 4 5 A N S > S+ 0 0 72 -2,-0.3 3,-2.1 2,-0.1 70,-0.6 0.612 81.1 111.5 -73.7 -16.7 9.1 -11.5 -3.3 5 6 A V B 3 S-a 74 0A 34 1,-0.3 -2,-0.2 68,-0.1 71,-0.2 -0.428 99.3 -2.7 -64.1 111.9 5.9 -13.5 -2.8 6 7 A G T 3 S+ 0 0 4 68,-1.9 105,-2.6 -2,-0.5 2,-0.4 0.539 99.4 147.5 79.8 6.8 3.3 -10.8 -2.0 7 8 A R < - 0 0 27 -3,-2.1 66,-3.1 103,-0.2 2,-0.5 -0.612 32.9-159.8 -82.1 130.7 5.9 -7.9 -2.1 8 9 A E E -B 72 0B 6 -2,-0.4 22,-0.6 101,-0.4 2,-0.3 -0.880 14.5-177.6-104.6 129.7 4.9 -4.5 -3.3 9 10 A a E -B 71 0B 17 62,-2.3 62,-3.1 -2,-0.5 2,-0.7 -0.951 28.4-121.4-125.3 149.9 7.7 -2.2 -4.4 10 11 A b E -B 70 0B 4 25,-0.4 25,-0.4 -2,-0.3 60,-0.3 -0.832 22.2-176.8 -90.1 110.0 7.8 1.4 -5.6 11 12 A L S S+ 0 0 96 58,-1.9 2,-0.3 -2,-0.7 59,-0.2 0.873 73.9 3.6 -70.8 -39.8 9.3 1.6 -9.1 12 13 A E S S- 0 0 95 57,-1.8 -1,-0.3 23,-0.0 37,-0.2 -0.995 79.2-110.6-149.2 149.9 9.1 5.4 -9.2 13 14 A Y - 0 0 59 -2,-0.3 2,-0.3 -3,-0.1 37,-0.2 -0.435 31.5-109.9 -80.5 145.0 8.1 8.1 -6.8 14 15 A F - 0 0 61 35,-3.7 2,-0.4 -2,-0.2 37,-0.3 -0.635 33.0-148.7 -67.7 133.7 5.0 10.4 -7.1 15 16 A K + 0 0 175 -2,-0.3 2,-0.2 35,-0.1 34,-0.0 -0.886 54.1 47.3-105.4 134.8 6.2 13.8 -8.0 16 17 A G S S- 0 0 58 -2,-0.4 2,-0.2 2,-0.0 -2,-0.0 -0.638 93.8 -27.1 122.7 178.9 4.0 16.7 -6.7 17 18 A A - 0 0 72 -2,-0.2 -2,-0.1 1,-0.1 0, 0.0 -0.461 56.6-124.2 -76.8 131.1 2.2 18.0 -3.7 18 19 A I - 0 0 31 -2,-0.2 2,-1.7 1,-0.1 3,-0.1 -0.653 23.0-128.6 -69.7 124.9 1.1 15.4 -1.1 19 20 A P >> - 0 0 38 0, 0.0 3,-1.5 0, 0.0 4,-0.8 -0.542 29.3-172.1 -74.7 80.9 -2.6 16.0 -0.6 20 21 A L G >4 S+ 0 0 69 -2,-1.7 3,-1.1 1,-0.3 -2,-0.0 0.876 76.4 50.7 -53.0 -47.0 -2.4 16.2 3.2 21 22 A R G 34 S+ 0 0 202 1,-0.2 -1,-0.3 -3,-0.1 22,-0.0 0.790 108.0 54.7 -61.1 -24.0 -6.2 16.2 3.9 22 23 A K G <4 S+ 0 0 62 -3,-1.5 21,-2.5 20,-0.1 -1,-0.2 0.617 81.9 112.3 -85.7 -11.4 -6.8 13.1 1.8 23 24 A L E << +C 42 0C 8 -3,-1.1 19,-0.3 -4,-0.8 3,-0.1 -0.387 30.2 165.3 -71.6 134.9 -4.2 11.0 3.6 24 25 A K E - 0 0 77 17,-2.8 2,-0.3 1,-0.4 18,-0.2 0.713 61.1 -20.6-113.6 -45.1 -5.5 8.1 5.6 25 26 A T E -C 41 0C 23 16,-1.9 16,-2.5 2,-0.0 -1,-0.4 -0.949 52.3-150.3-151.6-173.9 -2.5 5.9 6.3 26 27 A W E -C 40 0C 67 -2,-0.3 2,-0.3 14,-0.3 14,-0.2 -0.983 5.3-172.1-154.1 158.1 1.0 5.0 5.3 27 28 A Y E -C 39 0C 3 12,-1.7 12,-2.6 -2,-0.3 2,-0.5 -0.980 25.6-120.7-147.5 161.4 3.5 2.2 5.3 28 29 A Q E -C 38 0C 94 79,-0.6 10,-0.2 -2,-0.3 3,-0.1 -0.878 34.0-125.3 -99.9 129.6 7.2 1.7 4.5 29 30 A T - 0 0 8 8,-2.2 8,-0.2 -2,-0.5 -20,-0.1 -0.261 44.2 -66.2 -70.8 166.0 7.9 -0.8 1.7 30 31 A S > - 0 0 31 -22,-0.6 3,-1.8 1,-0.1 -1,-0.2 -0.141 35.6-130.6 -50.0 138.0 10.3 -3.7 2.1 31 32 A E T 3 S+ 0 0 154 1,-0.3 -1,-0.1 -3,-0.1 -2,-0.1 0.757 107.8 66.3 -61.7 -18.2 13.9 -3.0 2.7 32 33 A D T 3 S+ 0 0 84 -29,-0.1 -1,-0.3 4,-0.0 2,-0.1 0.646 78.3 100.1 -79.8 -13.7 14.6 -5.5 -0.1 33 34 A a S < S- 0 0 12 -3,-1.8 -22,-0.0 2,-0.1 -24,-0.0 -0.398 84.5-119.4 -65.6 150.2 12.9 -3.2 -2.7 34 35 A S S S+ 0 0 132 -2,-0.1 2,-0.4 2,-0.0 -1,-0.1 0.899 98.7 50.9 -54.9 -48.1 15.4 -1.2 -4.9 35 36 A R S S- 0 0 89 -25,-0.4 2,-0.5 -5,-0.0 -25,-0.4 -0.822 83.4-130.1 -96.3 133.3 13.9 2.1 -3.7 36 37 A D + 0 0 75 -2,-0.4 2,-0.3 -27,-0.1 17,-0.2 -0.731 46.9 172.6 -68.6 127.3 13.3 3.0 -0.1 37 38 A A - 0 0 0 -2,-0.5 -8,-2.2 -8,-0.2 2,-0.4 -0.993 39.7-152.6-148.6 147.1 9.7 4.2 -0.1 38 39 A I E -CD 28 50C 11 12,-2.3 12,-2.8 -2,-0.3 2,-0.6 -0.981 23.1-154.6-110.6 129.5 6.8 5.3 2.0 39 40 A V E -CD 27 49C 0 -12,-2.6 -12,-1.7 -2,-0.4 2,-0.4 -0.946 4.8-156.8-104.8 118.7 3.4 4.6 0.4 40 41 A F E -CD 26 48C 0 8,-2.4 8,-2.3 -2,-0.6 2,-0.5 -0.832 3.2-152.8 -88.4 137.7 0.6 6.9 1.5 41 42 A V E -CD 25 47C 0 -16,-2.5 -17,-2.8 -2,-0.4 -16,-1.9 -0.963 13.9-142.8-107.0 128.5 -3.0 5.6 1.1 42 43 A T E > -C 23 0C 8 4,-2.7 3,-1.7 -2,-0.5 -19,-0.2 -0.370 26.6-105.8 -80.3 165.7 -5.7 8.2 0.6 43 44 A V T 3 S+ 0 0 96 -21,-2.5 -20,-0.1 1,-0.3 -1,-0.1 0.879 123.4 50.5 -59.0 -34.9 -9.2 8.1 2.0 44 45 A Q T 3 S- 0 0 138 -22,-0.2 -1,-0.3 2,-0.0 -21,-0.1 0.308 126.3-100.3 -88.8 5.0 -10.5 7.3 -1.5 45 46 A G S < S+ 0 0 24 -3,-1.7 45,-0.6 1,-0.3 2,-0.3 0.721 71.7 143.4 89.0 21.3 -8.0 4.5 -1.9 46 47 A R - 0 0 192 43,-0.1 -4,-2.7 45,-0.0 2,-0.4 -0.694 39.2-140.7 -86.8 148.4 -5.3 6.0 -4.1 47 48 A A E -D 41 0C 25 -2,-0.3 2,-0.5 -6,-0.2 -6,-0.2 -0.951 11.4-164.8-112.6 140.8 -1.6 5.1 -3.4 48 49 A I E -D 40 0C 13 -8,-2.3 -8,-2.4 -2,-0.4 2,-0.5 -0.965 11.5-146.2-129.2 112.6 1.3 7.5 -3.5 49 50 A b E -D 39 0C 6 -2,-0.5 -35,-3.7 -10,-0.2 2,-0.3 -0.678 30.2-179.3 -80.1 125.8 4.9 6.3 -3.7 50 51 A S E -D 38 0C 4 -12,-2.8 -12,-2.3 -2,-0.5 -35,-0.1 -0.918 32.7-113.4-136.0 150.8 7.1 8.7 -1.8 51 52 A D > - 0 0 53 -2,-0.3 3,-1.7 -37,-0.3 6,-0.2 -0.697 19.1-149.1 -84.6 118.0 10.7 9.3 -0.9 52 53 A P T 3 S+ 0 0 19 0, 0.0 -1,-0.1 0, 0.0 -15,-0.1 0.579 94.4 61.4 -64.2 -10.3 11.3 8.9 2.8 53 54 A N T 3 S+ 0 0 124 -17,-0.2 2,-0.2 4,-0.1 -2,-0.0 0.581 79.9 105.6 -90.6 -9.1 14.2 11.5 2.7 54 55 A N S <> S- 0 0 53 -3,-1.7 4,-2.3 1,-0.1 5,-0.2 -0.503 71.1-136.5 -77.7 133.0 11.9 14.2 1.5 55 56 A K H > S+ 0 0 143 -2,-0.2 4,-1.9 1,-0.2 -1,-0.1 0.891 103.9 47.8 -48.5 -50.0 11.0 16.9 4.1 56 57 A R H > S+ 0 0 152 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.809 110.7 52.2 -68.3 -35.2 7.3 17.1 3.1 57 58 A V H > S+ 0 0 6 -6,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.926 109.4 48.6 -65.6 -47.6 7.0 13.3 3.2 58 59 A K H X S+ 0 0 106 -4,-2.3 4,-2.0 1,-0.2 -2,-0.2 0.886 111.0 51.6 -59.4 -37.1 8.5 13.2 6.7 59 60 A N H X S+ 0 0 96 -4,-1.9 4,-2.3 2,-0.2 -2,-0.2 0.915 108.8 50.8 -63.4 -42.7 6.0 16.0 7.7 60 61 A A H X S+ 0 0 0 -4,-2.0 4,-2.2 2,-0.2 -2,-0.2 0.893 110.6 48.8 -66.5 -41.6 3.0 13.9 6.3 61 62 A V H X S+ 0 0 16 -4,-2.4 4,-2.8 2,-0.2 -1,-0.2 0.938 109.7 51.2 -59.7 -44.3 4.1 10.8 8.2 62 63 A K H X S+ 0 0 147 -4,-2.0 4,-1.4 2,-0.2 -2,-0.2 0.898 109.2 52.7 -59.5 -44.5 4.4 12.8 11.4 63 64 A Y H >X S+ 0 0 75 -4,-2.3 4,-0.8 2,-0.2 3,-0.7 0.960 111.1 45.3 -51.7 -56.3 0.9 14.2 10.8 64 65 A L H >< S+ 0 0 17 -4,-2.2 3,-1.0 1,-0.3 -2,-0.2 0.917 112.1 51.6 -59.6 -43.0 -0.5 10.7 10.4 65 66 A Q H 3< S+ 0 0 126 -4,-2.8 -1,-0.3 1,-0.2 -2,-0.2 0.768 103.8 59.7 -64.4 -26.0 1.3 9.4 13.4 66 67 A S H << 0 0 88 -4,-1.4 -1,-0.2 -3,-0.7 -2,-0.2 0.734 360.0 360.0 -74.2 -21.8 -0.1 12.3 15.5 67 68 A L << 0 0 145 -3,-1.0 -3,-0.0 -4,-0.8 -4,-0.0 -0.338 360.0 360.0 -69.5 360.0 -3.7 11.4 15.0 68 !* 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 69 8 B R 0 0 124 0, 0.0 -58,-1.9 0, 0.0 -57,-1.8 0.000 360.0 360.0 360.0 13.3 4.3 3.6 -10.0 70 9 B E E -B 10 0B 4 -60,-0.3 2,-0.4 -59,-0.2 -60,-0.2 -0.885 360.0-154.2-111.6 149.0 4.1 0.6 -7.7 71 10 B c E -B 9 0B 19 -62,-3.1 -62,-2.3 -2,-0.3 2,-0.7 -0.971 14.3-142.9-125.3 136.3 4.5 -3.0 -8.7 72 11 B d E -B 8 0B 4 23,-1.8 -64,-0.2 -2,-0.4 3,-0.2 -0.857 15.4-158.5 -90.5 114.2 3.3 -6.2 -7.2 73 12 B L - 0 0 67 -66,-3.1 2,-0.3 -2,-0.7 -1,-0.2 0.936 69.9 -27.3 -65.5 -44.6 6.2 -8.5 -7.7 74 13 B E B S-a 5 0A 75 -70,-0.6 -68,-1.9 -67,-0.4 -1,-0.3 -0.933 78.0 -89.4-159.3 153.6 4.1 -11.6 -7.4 75 14 B Y - 0 0 61 -2,-0.3 37,-0.3 -3,-0.2 -68,-0.1 -0.354 47.2-103.7 -64.1 147.4 0.8 -12.4 -5.7 76 15 B F - 0 0 56 35,-2.4 2,-0.4 -71,-0.2 37,-0.4 -0.229 28.1-146.8 -62.3 151.9 0.8 -13.7 -2.2 77 16 B K + 0 0 145 -72,-0.1 2,-0.2 2,-0.1 -1,-0.0 -0.996 56.8 25.1-123.8 126.8 0.1 -17.3 -1.6 78 17 B G S S- 0 0 62 -2,-0.4 2,-0.2 2,-0.0 -2,-0.0 -0.498 89.7 -47.2 113.8-178.7 -1.7 -18.4 1.6 79 18 B A - 0 0 63 -2,-0.2 -2,-0.1 40,-0.0 40,-0.0 -0.558 33.8-158.8 -94.7 148.8 -4.1 -17.1 4.1 80 19 B I - 0 0 35 -2,-0.2 2,-0.1 38,-0.1 5,-0.1 -0.989 27.2-124.5-124.0 117.5 -4.0 -13.8 5.9 81 20 B P > - 0 0 47 0, 0.0 3,-2.2 0, 0.0 4,-0.4 -0.403 16.1-127.9 -61.5 138.5 -5.9 -13.8 9.1 82 21 B L G > S+ 0 0 80 1,-0.3 3,-1.6 2,-0.2 0, 0.0 0.844 107.2 64.3 -56.8 -35.6 -8.6 -11.0 9.2 83 22 B R G 3 S+ 0 0 192 1,-0.3 -1,-0.3 21,-0.0 22,-0.0 0.682 97.5 57.2 -63.7 -17.1 -7.3 -9.8 12.6 84 23 B K G < S+ 0 0 73 -3,-2.2 21,-2.8 20,-0.1 22,-0.4 0.566 89.1 96.4 -87.2 -7.4 -3.9 -8.9 10.9 85 24 B L E < +E 104 0D 9 -3,-1.6 19,-0.2 -4,-0.4 3,-0.1 -0.651 37.4 168.8 -92.0 134.7 -5.5 -6.6 8.3 86 25 B K E - 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0 0 122 -4,-0.3 3,-0.1 1,-0.3 -3,-0.1 0.671 53.4 -89.0 66.3 17.3 -1.0 -7.0 -11.6 98 37 B D T 3 S+ 0 0 78 -5,-0.5 -1,-0.3 1,-0.2 -6,-0.1 0.879 78.7 178.9 51.2 33.3 -4.3 -5.2 -10.6 99 38 B A < - 0 0 2 -3,-1.6 -8,-0.7 14,-0.1 2,-0.6 -0.334 36.7-124.8 -71.6 149.0 -3.4 -6.6 -7.2 100 39 B I E -EF 90 112D 12 12,-2.2 12,-2.5 -10,-0.2 2,-0.7 -0.825 30.0-151.6 -81.2 123.0 -5.4 -6.0 -4.0 101 40 B V E -EF 89 111D 0 -12,-3.3 -12,-1.7 -2,-0.6 2,-0.4 -0.888 7.3-161.0-104.7 116.2 -2.8 -4.6 -1.6 102 41 B F E -EF 88 110D 2 8,-2.6 8,-2.5 -2,-0.7 2,-0.5 -0.836 6.3-151.4 -93.3 130.8 -3.5 -5.3 2.1 103 42 B V E -EF 87 109D 0 -16,-2.4 -17,-2.8 -2,-0.4 -16,-1.7 -0.928 22.3-144.5-100.1 121.5 -1.8 -3.1 4.7 104 43 B T E > -E 85 0D 6 4,-2.7 3,-1.9 -2,-0.5 -19,-0.2 -0.421 22.6-111.9 -86.5 165.9 -1.3 -5.2 7.8 105 44 B V T 3 S+ 0 0 90 -21,-2.8 -20,-0.1 1,-0.3 -1,-0.1 0.757 119.3 60.7 -63.0 -28.6 -1.4 -4.1 11.4 106 45 B Q T 3 S- 0 0 87 -22,-0.4 -1,-0.3 2,-0.1 -21,-0.1 0.401 122.3-107.6 -77.0 0.5 2.3 -4.7 11.6 107 46 B G S < S+ 0 0 25 -3,-1.9 -79,-0.6 1,-0.3 2,-0.2 0.742 78.8 120.3 78.7 25.9 2.8 -2.1 8.8 108 47 B R - 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