==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER CYTOKINE 03-JUN-09 3HP3 . COMPND 2 MOLECULE: CXCL12 PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR J.W.MURPHY,E.LOLIS,Y.XIONG,H.YUAN,G.CRICHLOW . 627 11 20 20 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 34496.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 344 54.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 20 3.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 135 21.5 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 10 1.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.2 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 . 44 7.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 58 9.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 73 11.6 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 2 4 1 3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 10 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 . 9 0 4 8 3 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 ANTIPARALLEL BRIDGES PER LADDER . 0 3 7 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 L 0 0 161 0, 0.0 72,-0.1 0, 0.0 109,-0.1 0.000 360.0 360.0 360.0 -56.3 -2.8 33.0 -10.5 2 6 A S + 0 0 3 107,-0.2 71,-2.8 1,-0.1 72,-0.5 0.908 360.0 51.3 -83.9 -44.1 -2.6 29.5 -12.1 3 7 A Y B +A 72 0A 31 106,-0.4 2,-0.3 69,-0.2 69,-0.2 -0.766 59.3 152.7-103.8 135.8 -1.8 27.5 -9.0 4 8 A R - 0 0 64 67,-2.3 26,-0.1 -2,-0.4 25,-0.0 -0.958 51.5 -83.4-147.9 163.3 -3.6 27.5 -5.6 5 9 A a - 0 0 39 -2,-0.3 24,-0.0 1,-0.1 65,-0.0 -0.477 35.9-131.9 -70.3 137.9 -4.2 25.0 -2.8 6 10 A P S S+ 0 0 0 0, 0.0 63,-2.5 0, 0.0 2,-0.6 0.696 88.5 72.3 -67.2 -20.2 -7.1 22.6 -3.5 7 11 A b B -B 68 0B 13 61,-0.2 61,-0.2 1,-0.2 3,-0.1 -0.876 54.1-175.0-101.8 117.8 -8.7 23.1 -0.1 8 12 A R S S- 0 0 123 59,-3.8 2,-0.3 -2,-0.6 -1,-0.2 0.829 77.7 -25.2 -73.1 -36.5 -10.4 26.5 0.5 9 13 A F S S- 0 0 97 58,-0.4 2,-0.4 37,-0.0 -1,-0.3 -0.932 73.1 -97.9-160.8 178.3 -11.0 25.4 4.1 10 14 A F - 0 0 76 -2,-0.3 2,-0.4 -3,-0.1 37,-0.3 -0.921 28.1-135.2-114.0 139.0 -11.4 22.2 6.1 11 15 A E B -c 47 0C 42 35,-3.4 37,-2.9 -2,-0.4 3,-0.2 -0.729 18.7-178.0 -95.2 138.0 -14.8 20.8 7.1 12 16 A S + 0 0 56 -2,-0.4 -1,-0.1 35,-0.2 35,-0.1 0.444 65.8 73.0-115.2 -2.2 -15.2 19.5 10.6 13 17 A H + 0 0 192 2,-0.1 2,-0.5 38,-0.0 -1,-0.1 -0.100 67.4 117.3-108.6 40.9 -18.7 18.1 10.8 14 18 A V - 0 0 12 -3,-0.2 2,-0.3 34,-0.1 5,-0.0 -0.906 51.5-149.3-109.8 125.1 -18.1 14.9 8.8 15 19 A A > - 0 0 59 -2,-0.5 3,-2.4 1,-0.1 4,-0.4 -0.723 23.5-119.3 -95.2 145.8 -18.5 11.5 10.5 16 20 A R G > S+ 0 0 150 -2,-0.3 3,-1.6 1,-0.3 -1,-0.1 0.831 112.1 63.8 -44.5 -42.9 -16.4 8.5 9.5 17 21 A A G 3 S+ 0 0 103 1,-0.3 -1,-0.3 3,-0.0 -3,-0.0 0.629 100.7 55.0 -61.4 -12.4 -19.6 6.6 8.5 18 22 A N G < S+ 0 0 57 -3,-2.4 21,-0.4 21,-0.0 2,-0.4 0.590 89.2 88.5 -98.8 -15.3 -20.1 9.2 5.8 19 23 A V < - 0 0 27 -3,-1.6 19,-0.3 -4,-0.4 3,-0.1 -0.755 45.1-176.5-101.3 132.0 -16.8 8.9 4.0 20 24 A K S S+ 0 0 109 17,-4.3 2,-0.3 -2,-0.4 18,-0.2 0.753 73.9 5.1 -91.8 -31.8 -16.1 6.5 1.2 21 25 A H E -D 37 0C 78 16,-1.1 16,-2.1 2,-0.0 2,-0.4 -0.990 58.8-152.5-153.9 150.1 -12.4 7.2 0.6 22 26 A L E -D 36 0C 25 -2,-0.3 2,-0.4 14,-0.2 14,-0.2 -0.984 16.2-179.6-126.9 141.1 -9.7 9.3 2.2 23 27 A K E -D 35 0C 34 12,-2.3 12,-3.1 -2,-0.4 2,-0.7 -1.000 24.6-138.0-143.3 137.6 -6.6 10.7 0.4 24 28 A I E -D 34 0C 9 -2,-0.4 2,-0.4 10,-0.2 10,-0.2 -0.875 25.3-144.2 -97.8 113.0 -3.6 12.8 1.4 25 29 A L E -D 33 0C 2 8,-2.4 2,-0.8 -2,-0.7 8,-0.6 -0.616 5.0-155.9 -76.3 127.1 -3.0 15.4 -1.2 26 30 A N + 0 0 41 -2,-0.4 65,-0.2 65,-0.2 -1,-0.1 -0.666 32.3 154.7-105.1 75.6 0.7 16.2 -1.8 27 31 A T > - 0 0 7 -2,-0.8 3,-1.0 4,-0.2 -22,-0.0 -0.881 44.0-111.2-103.1 134.1 0.5 19.7 -3.3 28 32 A P T 3 S+ 0 0 14 0, 0.0 3,-0.1 0, 0.0 -1,-0.0 -0.196 93.8 12.8 -65.7 151.5 3.5 22.0 -2.9 29 33 A N T 3 S+ 0 0 131 1,-0.2 2,-0.4 148,-0.1 -24,-0.1 0.666 104.4 111.7 59.6 19.7 3.5 25.1 -0.7 30 34 A a S < S- 0 0 10 -3,-1.0 -1,-0.2 -26,-0.1 3,-0.1 -0.951 70.5-114.5-124.2 143.0 0.3 23.9 0.9 31 35 A A - 0 0 72 -2,-0.4 -4,-0.2 1,-0.2 -1,-0.0 -0.152 62.1 -59.9 -61.3 167.5 -0.4 22.7 4.5 32 36 A L - 0 0 21 127,-0.1 2,-0.4 -6,-0.1 -1,-0.2 -0.212 61.7-164.7 -49.8 136.7 -1.3 19.0 5.0 33 37 A Q E -D 25 0C 5 -8,-0.6 -8,-2.4 -3,-0.1 2,-0.5 -0.957 14.0-169.5-137.9 120.0 -4.6 18.3 3.1 34 38 A I E -DE 24 47C 6 13,-0.5 13,-1.9 -2,-0.4 2,-0.4 -0.921 10.3-163.0-106.8 129.0 -6.9 15.3 3.5 35 39 A V E -DE 23 46C 0 -12,-3.1 -12,-2.3 -2,-0.5 2,-0.4 -0.931 4.7-163.6-114.8 134.7 -9.6 14.9 1.0 36 40 A A E -DE 22 45C 0 9,-3.4 9,-2.9 -2,-0.4 2,-0.5 -0.931 15.9-140.2-120.6 140.3 -12.6 12.7 1.5 37 41 A R E -DE 21 44C 83 -16,-2.1 -17,-4.3 -2,-0.4 -16,-1.1 -0.886 38.2-148.7 -98.1 132.2 -15.2 11.2 -0.9 38 42 A L - 0 0 17 5,-2.5 2,-0.3 -2,-0.5 -19,-0.2 -0.118 20.9-141.8-101.7 178.2 -18.7 11.4 0.7 39 43 A K S S+ 0 0 84 -21,-0.4 2,-0.4 3,-0.1 4,-0.1 -0.924 85.5 38.6-133.9 164.9 -22.1 9.9 1.1 40 44 A N S S+ 0 0 105 -2,-0.3 -22,-0.0 1,-0.2 -2,-0.0 -0.247 141.4 20.4 81.2 -42.1 -25.5 11.8 1.5 41 45 A N S S- 0 0 77 -2,-0.4 -1,-0.2 2,-0.1 3,-0.1 0.638 91.5-147.2-112.2 -41.6 -24.0 14.2 -1.1 42 46 A N + 0 0 72 1,-0.2 -2,-0.1 -3,-0.0 -3,-0.1 0.533 53.7 128.9 77.3 13.8 -21.3 12.0 -2.7 43 47 A R - 0 0 31 -6,-0.1 -5,-2.5 -4,-0.1 2,-0.4 0.032 64.7 -96.3 -81.9-168.4 -19.1 15.1 -3.3 44 48 A Q E - E 0 37C 1 -7,-0.2 24,-0.5 24,-0.1 2,-0.3 -0.956 42.4-177.5-112.7 133.2 -15.4 15.6 -2.4 45 49 A V E - E 0 36C 6 -9,-2.9 -9,-3.4 -2,-0.4 2,-0.6 -0.974 30.0-128.9-130.6 147.6 -14.5 17.5 0.8 46 50 A b E - E 0 35C 0 -2,-0.3 -35,-3.4 -11,-0.2 2,-0.3 -0.860 37.0-150.6 -86.7 120.2 -11.4 18.7 2.5 47 51 A I E -cE 11 34C 0 -13,-1.9 -13,-0.5 -2,-0.6 -35,-0.2 -0.764 20.6-103.6 -97.0 143.4 -11.7 17.4 6.1 48 52 A D > - 0 0 44 -37,-2.9 3,-1.3 -2,-0.3 6,-0.2 -0.441 24.4-150.5 -56.3 118.6 -10.3 18.9 9.3 49 53 A P T 3 S+ 0 0 8 0, 0.0 -1,-0.2 0, 0.0 -16,-0.0 0.754 93.0 68.0 -65.6 -23.0 -7.2 16.8 10.1 50 54 A K T 3 + 0 0 57 4,-0.1 -2,-0.1 109,-0.1 5,-0.1 0.545 68.5 123.3 -76.7 -9.5 -7.9 17.6 13.8 51 55 A L <> - 0 0 26 -3,-1.3 4,-2.4 1,-0.1 3,-0.4 -0.334 68.7-131.3 -49.2 130.2 -11.1 15.6 13.8 52 56 A K H > S+ 0 0 90 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.884 106.3 51.2 -57.7 -40.6 -10.7 13.0 16.6 53 57 A W H > S+ 0 0 49 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.828 110.2 49.3 -69.2 -31.0 -11.7 10.2 14.3 54 58 A I H > S+ 0 0 3 -3,-0.4 4,-3.2 -6,-0.2 -1,-0.2 0.878 110.3 52.5 -70.0 -40.0 -9.2 11.2 11.6 55 59 A Q H X S+ 0 0 23 -4,-2.4 4,-2.5 2,-0.2 -2,-0.2 0.975 111.8 43.2 -59.2 -58.8 -6.5 11.4 14.3 56 60 A E H X S+ 0 0 100 -4,-2.5 4,-1.9 2,-0.2 -1,-0.2 0.841 115.2 51.5 -54.9 -39.7 -7.2 7.8 15.6 57 61 A Y H < S+ 0 0 104 -4,-1.6 -2,-0.2 -5,-0.2 -1,-0.2 0.961 114.6 41.0 -61.4 -54.4 -7.4 6.6 12.0 58 62 A L H < S+ 0 0 30 -4,-3.2 -2,-0.2 1,-0.2 -1,-0.2 0.756 114.5 54.7 -64.7 -26.3 -4.1 8.3 11.1 59 63 A E H < 0 0 55 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.800 360.0 360.0 -79.8 -31.1 -2.6 7.1 14.4 60 64 A K < 0 0 156 -4,-1.9 -1,-0.2 -3,-0.2 -2,-0.1 0.130 360.0 360.0 -71.0 360.0 -3.5 3.5 13.8 61 ! 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 62 66 A L 0 0 159 0, 0.0 86,-0.0 0, 0.0 126,-0.0 0.000 360.0 360.0 360.0-177.8 2.0 2.8 13.7 63 67 A N 0 0 96 84,-0.1 87,-0.1 -3,-0.1 -4,-0.0 -0.355 360.0 360.0-144.5 360.0 3.9 4.6 16.5 64 !* 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 65 4 B S 0 0 81 0, 0.0 -20,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -26.3 -17.0 21.1 -3.5 66 5 B L + 0 0 121 -22,-0.2 -21,-0.1 -57,-0.1 3,-0.1 0.433 360.0 27.2-106.0 -14.6 -17.4 24.2 -1.4 67 6 B S S S+ 0 0 0 -23,-0.3 -59,-3.8 1,-0.1 -58,-0.4 0.753 116.7 62.4-109.0 -39.4 -14.1 23.3 0.2 68 7 B Y B +B 7 0B 14 -24,-0.5 2,-0.3 -61,-0.2 -61,-0.2 -0.754 56.4 158.1 -97.6 136.9 -12.3 21.3 -2.5 69 8 B R - 0 0 60 -63,-2.5 26,-0.1 -2,-0.4 4,-0.1 -0.958 49.2 -83.9-145.3 160.5 -11.3 22.6 -5.9 70 9 B c - 0 0 39 -2,-0.3 24,-0.0 1,-0.1 22,-0.0 -0.443 36.2-132.1 -64.5 139.5 -8.7 21.7 -8.6 71 10 B P S S+ 0 0 0 0, 0.0 -67,-2.3 0, 0.0 2,-0.6 0.675 90.5 70.1 -72.9 -15.4 -5.3 23.2 -7.7 72 11 B d B -A 3 0A 14 -69,-0.2 -69,-0.2 1,-0.1 3,-0.1 -0.923 53.0-179.3-107.1 119.8 -5.0 24.6 -11.3 73 12 B R S S- 0 0 144 -71,-2.8 2,-0.3 -2,-0.6 -1,-0.1 0.705 79.0 -13.5 -85.4 -28.7 -7.3 27.4 -12.3 74 13 B F S S- 0 0 97 -72,-0.5 2,-0.4 37,-0.0 -1,-0.3 -0.947 73.5-108.6-160.0 168.7 -5.7 27.4 -15.8 75 14 B F - 0 0 66 -2,-0.3 2,-0.6 -3,-0.1 37,-0.3 -0.855 25.1-127.9-104.9 141.1 -2.6 26.0 -17.5 76 15 B E B +f 112 0D 60 35,-2.6 37,-1.5 -2,-0.4 3,-0.4 -0.775 25.1 178.6 -93.4 116.7 0.4 28.0 -18.7 77 16 B S S S+ 0 0 67 -2,-0.6 -1,-0.1 1,-0.2 35,-0.1 0.479 70.5 62.8 -99.9 -4.4 1.1 27.4 -22.3 78 17 B H S S+ 0 0 190 2,-0.1 2,-0.2 38,-0.0 -1,-0.2 0.327 70.3 120.4-104.2 6.8 4.1 29.7 -22.8 79 18 B V - 0 0 19 -3,-0.4 2,-0.3 2,-0.0 3,-0.0 -0.503 53.0-142.0 -75.8 138.9 6.6 28.2 -20.3 80 19 B A > - 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