==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=22-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER IMMUNE SYSTEM 20-OCT-05 2BDN . COMPND 2 MOLECULE: SMALL INDUCIBLE CYTOKINE A2; . SOURCE 2 SYNTHETIC: YES; . AUTHOR P.A.BORIACK-SJODIN,M.RUSHE,C.REID,M JARPE,H VAN VLIJMEN, . 499 3 6 6 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 23417.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 306 61.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 12 2.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 178 35.7 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 0.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 3 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 3 0.6 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 0.2 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 . 42 8.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 39 7.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 25 5.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 0.8 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 0 1 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 . 1 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 0 0 0 0 PARALLEL BRIDGES PER LADDER . 2 6 6 2 3 10 1 0 1 1 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 4 3 1 0 2 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 0 139 0, 0.0 3,-0.9 0, 0.0 124,-0.0 0.000 360.0 360.0 360.0 -49.0 37.9 -3.1 73.8 2 5 A I T 3 + 0 0 152 1,-0.2 124,-0.0 124,-0.0 123,-0.0 0.765 360.0 56.1 -73.5 -24.8 34.2 -3.4 74.4 3 6 A N T 3 S+ 0 0 147 2,-0.0 -1,-0.2 0, 0.0 0, 0.0 -0.030 76.8 124.0 -99.1 31.3 34.7 -6.0 77.2 4 7 A A < - 0 0 61 -3,-0.9 2,-0.1 1,-0.1 0, 0.0 -0.517 68.5-105.1 -82.9 156.6 37.0 -3.8 79.3 5 8 A P - 0 0 121 0, 0.0 2,-0.5 0, 0.0 -1,-0.1 -0.489 28.5-138.2 -82.0 158.6 35.9 -3.3 82.9 6 9 A V - 0 0 79 -2,-0.1 2,-0.4 26,-0.1 0, 0.0 -0.967 6.6-146.2-119.2 131.8 34.5 0.1 83.9 7 10 A T + 0 0 68 -2,-0.5 2,-0.3 26,-0.0 23,-0.2 -0.814 25.6 176.7 -96.4 134.9 35.4 1.7 87.2 8 11 A a - 0 0 22 -2,-0.4 2,-0.5 24,-0.1 28,-0.1 -0.809 27.6-121.7-131.3 171.7 32.6 3.7 88.8 9 12 A b + 0 0 2 26,-0.3 26,-0.3 -2,-0.3 3,-0.1 -0.972 21.7 174.0-119.7 127.7 31.9 5.7 92.0 10 13 A Y S S+ 0 0 166 -2,-0.5 2,-0.3 1,-0.2 -1,-0.1 0.372 71.9 28.9-110.8 2.1 29.1 4.8 94.3 11 14 A N - 0 0 133 39,-0.0 2,-0.5 2,-0.0 -1,-0.2 -0.985 66.9-137.1-156.3 157.2 30.0 7.3 97.0 12 15 A F - 0 0 45 -2,-0.3 38,-0.3 -3,-0.1 25,-0.0 -0.980 30.9-113.6-122.2 128.1 31.6 10.7 97.4 13 16 A T - 0 0 36 36,-3.2 38,-0.4 -2,-0.5 35,-0.0 -0.348 20.6-156.9 -57.2 137.3 34.1 11.5 100.2 14 17 A N S S+ 0 0 161 36,-0.1 2,-0.5 2,-0.1 -1,-0.2 0.273 71.1 78.3-100.5 8.8 32.4 14.0 102.4 15 18 A R S S- 0 0 192 0, 0.0 -2,-0.1 0, 0.0 -1,-0.1 -0.972 83.4-120.9-124.9 121.3 35.8 15.2 103.8 16 19 A K - 0 0 130 -2,-0.5 2,-0.4 1,-0.1 -2,-0.1 -0.033 25.6-132.2 -50.8 156.4 38.0 17.6 101.8 17 20 A I - 0 0 20 2,-0.0 2,-0.1 39,-0.0 -1,-0.1 -0.965 14.9-116.5-122.7 132.3 41.5 16.4 100.9 18 21 A S > - 0 0 65 -2,-0.4 3,-2.3 1,-0.1 4,-0.5 -0.394 19.1-134.4 -64.1 133.8 44.8 18.4 101.3 19 22 A V G > S+ 0 0 42 1,-0.3 3,-0.8 2,-0.2 -1,-0.1 0.760 105.9 65.2 -62.3 -22.9 46.5 19.1 98.0 20 23 A Q G 3 S+ 0 0 143 1,-0.2 -1,-0.3 22,-0.0 -2,-0.1 0.485 100.9 53.4 -77.7 0.3 49.8 18.0 99.6 21 24 A R G < S+ 0 0 135 -3,-2.3 22,-2.1 21,-0.1 2,-0.3 0.523 92.8 92.5-106.8 -13.9 48.1 14.6 99.8 22 25 A L E < +A 42 0A 15 -3,-0.8 20,-0.2 -4,-0.5 3,-0.1 -0.589 37.0 168.6 -88.8 143.6 47.1 14.3 96.1 23 26 A A E - 0 0 61 18,-3.1 2,-0.3 1,-0.4 19,-0.2 0.653 65.4 -26.4-120.7 -31.5 49.2 12.8 93.3 24 27 A S E -A 41 0A 52 17,-1.4 17,-3.1 2,-0.0 -1,-0.4 -0.984 51.9-137.8-173.9 167.1 46.7 12.6 90.4 25 28 A Y E -A 40 0A 31 -2,-0.3 2,-0.3 15,-0.2 15,-0.2 -0.984 3.8-150.6-143.7 155.4 43.1 12.4 89.3 26 29 A R E -A 39 0A 103 13,-2.0 13,-2.2 -2,-0.3 2,-0.6 -0.898 18.0-130.6-120.3 150.0 40.9 10.6 86.8 27 30 A R E -A 38 0A 62 -2,-0.3 2,-0.6 11,-0.2 11,-0.2 -0.905 18.2-159.1-104.2 119.8 37.7 11.8 85.2 28 31 A I E +A 37 0A 16 9,-3.2 9,-2.1 -2,-0.6 -20,-0.1 -0.883 32.1 143.4-100.4 119.8 34.8 9.2 85.4 29 32 A T + 0 0 23 -2,-0.6 7,-0.2 7,-0.2 -1,-0.1 0.405 16.6 138.7-134.9 -0.1 32.1 9.8 82.8 30 33 A S > - 0 0 32 -23,-0.2 3,-2.7 1,-0.2 5,-0.1 -0.258 52.3-139.2 -54.5 129.7 30.9 6.4 81.6 31 34 A S T 3 S+ 0 0 32 1,-0.3 -1,-0.2 3,-0.0 5,-0.0 0.659 103.2 73.1 -63.9 -13.6 27.1 6.3 81.2 32 35 A K T 3 S+ 0 0 163 253,-0.0 -1,-0.3 3,-0.0 -2,-0.1 0.654 87.3 80.0 -73.5 -15.6 27.5 2.9 82.7 33 36 A a S < S- 0 0 14 -3,-2.7 3,-0.1 1,-0.1 -23,-0.1 -0.505 93.0-116.0 -90.0 161.4 28.2 4.7 86.0 34 37 A P S S- 0 0 66 0, 0.0 2,-0.3 0, 0.0 281,-0.1 0.861 91.4 -24.5 -63.4 -30.5 25.6 6.2 88.4 35 38 A K S S- 0 0 75 -26,-0.3 -26,-0.3 -5,-0.1 -5,-0.1 -0.956 80.4 -71.1-175.2 158.0 27.0 9.6 87.7 36 39 A E + 0 0 5 -2,-0.3 2,-0.3 279,-0.2 -7,-0.2 -0.256 59.2 166.5 -56.1 140.8 30.1 11.6 86.6 37 40 A A E -A 28 0A 0 -9,-2.1 -9,-3.2 14,-0.1 2,-0.4 -0.942 34.3-121.8-152.0 171.4 32.8 11.6 89.2 38 41 A V E -AB 27 50A 0 12,-1.9 12,-2.7 -2,-0.3 2,-0.6 -0.971 17.8-154.0-120.4 133.2 36.5 12.3 90.0 39 42 A I E -AB 26 49A 6 -13,-2.2 -13,-2.0 -2,-0.4 2,-0.3 -0.931 10.5-156.3-113.0 114.7 38.9 9.8 91.4 40 43 A F E -AB 25 48A 0 8,-2.8 8,-2.5 -2,-0.6 2,-0.5 -0.683 3.8-151.9 -89.7 139.1 41.8 11.1 93.4 41 44 A K E -AB 24 47A 83 -17,-3.1 -18,-3.1 -2,-0.3 -17,-1.4 -0.953 19.5-146.4-108.9 120.8 45.1 9.1 93.7 42 45 A T E > -A 22 0A 9 4,-2.7 3,-2.4 -2,-0.5 -20,-0.2 -0.352 32.1 -93.9 -85.3 170.8 46.9 9.9 97.0 43 46 A I T 3 S+ 0 0 103 -22,-2.1 -21,-0.1 1,-0.3 -1,-0.1 0.788 129.4 49.0 -50.6 -31.6 50.6 10.0 97.6 44 47 A V T 3 S- 0 0 100 -23,-0.3 -1,-0.3 2,-0.1 -22,-0.0 -0.011 124.4-101.5-101.1 27.4 50.3 6.4 98.8 45 48 A A S < S+ 0 0 65 -3,-2.4 2,-0.2 1,-0.2 -2,-0.1 0.544 71.6 149.0 66.7 11.1 48.3 5.2 95.8 46 49 A K - 0 0 136 1,-0.0 -4,-2.7 -5,-0.0 2,-0.5 -0.526 39.6-138.0 -75.9 142.0 45.0 5.3 97.6 47 50 A E E -B 41 0A 105 -6,-0.2 2,-0.4 -2,-0.2 -6,-0.2 -0.879 21.0-176.7-106.1 132.5 41.9 6.0 95.4 48 51 A I E -B 40 0A 31 -8,-2.5 -8,-2.8 -2,-0.5 2,-0.4 -0.977 19.6-136.9-134.1 125.9 39.1 8.3 96.5 49 52 A b E +B 39 0A 37 -2,-0.4 -36,-3.2 -10,-0.2 2,-0.3 -0.622 29.3 178.4 -81.4 129.8 35.8 9.3 94.8 50 53 A A E -B 38 0A 0 -12,-2.7 -12,-1.9 -2,-0.4 -36,-0.1 -0.912 34.3 -97.9-132.1 159.9 34.8 12.9 95.0 51 54 A D > - 0 0 36 -38,-0.4 3,-1.6 -2,-0.3 6,-0.2 -0.627 22.6-146.7 -79.4 117.9 32.0 15.2 93.7 52 55 A P T 3 S+ 0 0 5 0, 0.0 -1,-0.1 0, 0.0 -15,-0.1 0.710 94.9 58.6 -55.0 -22.2 33.0 17.1 90.5 53 56 A K T 3 S+ 0 0 36 4,-0.1 2,-0.3 262,-0.1 -16,-0.0 0.618 77.8 102.3 -88.0 -15.5 30.9 20.0 91.6 54 57 A Q S X> S- 0 0 69 -3,-1.6 4,-2.1 1,-0.1 3,-0.5 -0.522 73.4-129.2 -74.8 135.2 32.5 20.9 94.9 55 58 A K H 3> S+ 0 0 149 1,-0.3 4,-2.9 -2,-0.3 5,-0.2 0.873 107.1 50.0 -49.1 -46.5 34.8 23.9 94.8 56 59 A W H 3> S+ 0 0 30 1,-0.2 4,-2.2 2,-0.2 -1,-0.3 0.873 107.7 54.3 -65.7 -33.6 37.7 22.1 96.5 57 60 A V H <> S+ 0 0 0 -3,-0.5 4,-2.3 -6,-0.2 -1,-0.2 0.922 112.8 42.7 -65.3 -41.3 37.5 19.2 94.0 58 61 A Q H X S+ 0 0 62 -4,-2.1 4,-2.8 2,-0.2 5,-0.2 0.906 112.8 52.9 -69.3 -41.6 37.7 21.6 91.1 59 62 A D H X S+ 0 0 71 -4,-2.9 4,-1.8 -5,-0.2 -2,-0.2 0.864 109.3 50.7 -62.6 -33.5 40.5 23.6 92.8 60 63 A S H X S+ 0 0 9 -4,-2.2 4,-3.1 -5,-0.2 5,-0.3 0.982 109.4 49.1 -66.9 -53.8 42.4 20.4 93.2 61 64 A M H X S+ 0 0 8 -4,-2.3 4,-2.9 1,-0.3 5,-0.3 0.916 110.2 51.1 -49.6 -50.9 42.0 19.4 89.6 62 65 A D H X S+ 0 0 44 -4,-2.8 4,-2.5 1,-0.2 -1,-0.3 0.902 113.6 46.9 -53.9 -43.0 43.2 22.8 88.5 63 66 A H H X S+ 0 0 73 -4,-1.8 4,-1.7 -5,-0.2 -2,-0.2 0.960 112.2 45.8 -66.4 -54.1 46.2 22.3 90.8 64 67 A L H < S+ 0 0 23 -4,-3.1 -1,-0.2 1,-0.2 -2,-0.2 0.873 116.2 48.8 -58.0 -35.8 47.1 18.8 89.7 65 68 A D H < S+ 0 0 40 -4,-2.9 -1,-0.2 -5,-0.3 -2,-0.2 0.918 112.6 44.9 -70.2 -44.2 46.7 19.8 86.1 66 69 A K H < S+ 0 0 121 -4,-2.5 -1,-0.2 -5,-0.3 -2,-0.2 0.701 100.1 92.7 -72.8 -17.6 48.8 23.0 86.4 67 70 A Q < 0 0 109 -4,-1.7 -3,-0.1 -5,-0.2 0, 0.0 0.038 360.0 360.0 -60.8-176.6 51.3 20.9 88.3 68 71 A T 0 0 176 0, 0.0 -1,-0.1 0, 0.0 0, 0.0 0.070 360.0 360.0 -51.6 360.0 54.1 19.3 86.3 69 !* 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 70 1 L D 0 0 106 0, 0.0 2,-0.4 0, 0.0 95,-0.1 0.000 360.0 360.0 360.0 165.2 38.6 34.5 76.8 71 2 L I - 0 0 4 93,-0.5 2,-0.5 91,-0.3 88,-0.1 -0.777 360.0-145.3 -92.1 133.7 40.9 31.9 75.3 72 3 L Q - 0 0 92 -2,-0.4 23,-1.1 94,-0.0 2,-0.4 -0.894 9.2-160.4-106.2 129.6 40.9 31.8 71.5 73 4 L M E +C 94 0B 14 -2,-0.5 2,-0.3 94,-0.5 96,-0.3 -0.883 12.6 178.1-108.4 136.0 41.2 28.5 69.7 74 5 L T E -C 93 0B 73 19,-1.5 19,-2.5 -2,-0.4 2,-0.4 -0.983 18.0-142.4-137.3 149.2 42.3 28.4 66.1 75 6 L Q E -C 92 0B 22 -2,-0.3 17,-0.2 17,-0.2 94,-0.0 -0.923 25.2-118.5-116.7 139.2 43.0 25.6 63.7 76 7 L S S S- 0 0 78 15,-1.2 2,-0.3 -2,-0.4 -1,-0.1 0.839 93.9 -0.3 -34.9 -54.9 45.7 25.5 61.1 77 8 L S - 0 0 43 14,-0.2 14,-0.1 -3,-0.0 3,-0.1 -0.932 54.6-138.5-139.7 161.9 43.3 25.3 58.2 78 9 L S S S+ 0 0 87 -2,-0.3 94,-2.8 1,-0.2 2,-0.3 0.464 89.2 28.8 -98.8 -2.5 39.5 25.2 57.7 79 10 L S E -f 172 0C 50 92,-0.2 2,-0.3 75,-0.0 -1,-0.2 -0.986 53.5-175.4-161.1 146.8 39.8 22.5 55.0 80 11 L F E -f 173 0C 71 92,-2.0 94,-2.6 -2,-0.3 2,-0.5 -0.997 18.8-144.8-142.3 134.9 41.9 19.6 53.7 81 12 L S E +f 174 0C 55 -2,-0.3 2,-0.3 92,-0.2 94,-0.2 -0.896 38.1 171.6 -97.6 129.4 41.5 17.5 50.6 82 13 L V E -f 175 0C 13 92,-2.5 94,-2.6 -2,-0.5 2,-0.4 -0.832 30.1-118.9-136.0 173.3 42.5 14.0 51.5 83 14 L S > - 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