==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=13-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ATTRACTANT 26-JUL-04 1U4R . COMPND 2 MOLECULE: SMALL INDUCIBLE CYTOKINE A5; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR J.P.SHAW,Z.JOHNSON,F.BORLAT,C.ZWAHLEN,A.KUNGL,K.ROULIN, . 262 4 8 8 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 15639.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 144 55.0 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 . 56 21.4 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 . 3 1.1 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 . 1 0.4 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 . 19 7.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 21 8.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 37 14.1 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 1 2 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 . 2 0 2 6 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 ANTIPARALLEL BRIDGES PER LADDER . 2 2 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 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 S 0 0 134 0, 0.0 74,-0.2 0, 0.0 4,-0.0 0.000 360.0 360.0 360.0-136.8 12.9 -1.4 10.4 2 5 A S + 0 0 27 72,-0.1 111,-1.9 73,-0.0 76,-0.3 0.226 360.0 107.9-100.6 10.1 11.1 -4.7 11.1 3 6 A D B S-A 112 0A 63 109,-0.2 72,-0.3 1,-0.1 109,-0.2 -0.510 83.4 -83.7 -86.8 157.0 7.8 -2.7 10.8 4 7 A T - 0 0 24 107,-2.0 70,-0.2 -2,-0.2 -1,-0.1 -0.177 39.0-139.5 -57.4 149.8 5.4 -3.0 7.9 5 8 A T E -D 73 0B 31 68,-3.1 68,-2.3 -3,-0.1 2,-0.3 -0.963 17.0-123.3-116.3 125.4 6.1 -0.9 4.8 6 9 A P E +D 72 0B 41 0, 0.0 22,-0.5 0, 0.0 2,-0.3 -0.546 38.0 175.4 -71.4 125.8 3.2 0.8 3.0 7 10 A a E -D 71 0B 2 64,-2.9 64,-3.8 -2,-0.3 2,-0.4 -0.883 22.9-126.5-127.0 160.5 3.1 -0.2 -0.6 8 11 A b + 0 0 0 25,-0.4 25,-0.2 -2,-0.3 62,-0.1 -0.864 24.5 171.7-113.2 143.0 0.6 0.5 -3.4 9 12 A F S S+ 0 0 38 60,-0.4 2,-0.3 -2,-0.4 -1,-0.1 0.201 76.2 27.1-129.6 13.8 -1.2 -1.9 -5.8 10 13 A A S S- 0 0 64 59,-0.1 2,-0.4 23,-0.0 -1,-0.3 -0.945 70.3-134.1-167.0 154.8 -3.5 0.7 -7.4 11 14 A Y - 0 0 78 -2,-0.3 35,-0.3 -3,-0.1 24,-0.0 -0.953 33.2-103.0-120.5 140.8 -3.4 4.4 -8.2 12 15 A I - 0 0 37 33,-2.4 35,-0.3 -2,-0.4 4,-0.1 -0.281 29.4-135.6 -56.6 147.3 -6.3 6.8 -7.6 13 16 A A S S+ 0 0 90 33,-0.1 -1,-0.1 2,-0.1 33,-0.0 0.632 77.9 28.1 -85.6 -13.2 -8.0 7.6 -10.9 14 17 A R S S- 0 0 181 1,-0.0 -1,-0.0 0, 0.0 -2,-0.0 -0.965 97.1 -75.1-144.1 159.6 -8.4 11.3 -10.6 15 18 A P - 0 0 44 0, 0.0 -2,-0.1 0, 0.0 38,-0.0 -0.192 49.1-120.9 -53.3 142.5 -6.6 14.3 -8.8 16 19 A L - 0 0 4 1,-0.1 2,-0.5 -4,-0.1 5,-0.1 -0.539 42.5 -85.5 -81.0 153.1 -7.3 14.5 -5.1 17 20 A P >> - 0 0 53 0, 0.0 3,-1.7 0, 0.0 4,-0.5 -0.490 45.4-141.6 -62.8 114.8 -8.9 17.7 -3.8 18 21 A R G >4 S+ 0 0 84 -2,-0.5 3,-1.7 1,-0.3 -2,-0.1 0.823 92.0 60.7 -46.8 -49.6 -5.7 19.8 -3.4 19 22 A A G 34 S+ 0 0 99 1,-0.3 -1,-0.3 -3,-0.0 -3,-0.0 0.695 100.7 58.0 -57.5 -19.6 -6.6 21.7 -0.3 20 23 A H G <4 S+ 0 0 87 -3,-1.7 2,-0.3 2,-0.0 -1,-0.3 0.696 82.7 101.8 -84.3 -20.2 -6.8 18.4 1.6 21 24 A I << + 0 0 13 -3,-1.7 19,-0.2 -4,-0.5 3,-0.1 -0.504 38.2 166.3 -70.5 127.9 -3.2 17.4 0.8 22 25 A K - 0 0 158 17,-3.3 2,-0.3 1,-0.4 18,-0.2 0.798 62.1 -18.9-106.3 -52.2 -0.8 17.9 3.6 23 26 A E E -E 39 0C 46 16,-1.8 16,-3.2 2,-0.0 -1,-0.4 -0.856 57.5-150.3-147.7-179.1 2.4 16.0 2.7 24 27 A Y E -E 38 0C 54 -2,-0.3 2,-0.3 14,-0.2 14,-0.2 -0.941 7.6-171.9-152.1 168.5 3.5 13.2 0.3 25 28 A F E -E 37 0C 59 12,-0.9 12,-3.3 -2,-0.3 2,-0.5 -0.959 27.5-115.5-166.1 149.4 6.1 10.5 0.1 26 29 A Y E -E 36 0C 129 -2,-0.3 10,-0.2 10,-0.2 3,-0.1 -0.789 41.9-114.8 -88.7 127.9 7.5 7.9 -2.4 27 30 A T - 0 0 14 8,-2.3 8,-0.3 -2,-0.5 -20,-0.1 -0.276 47.1 -77.5 -62.4 149.5 6.8 4.4 -1.3 28 31 A S > - 0 0 42 -22,-0.5 3,-1.3 1,-0.1 -1,-0.1 -0.013 33.1-125.8 -44.9 145.4 9.9 2.2 -0.5 29 32 A G T 3 S+ 0 0 79 1,-0.3 -1,-0.1 -3,-0.1 -2,-0.1 0.741 107.6 73.3 -68.1 -20.9 11.8 0.9 -3.4 30 33 A K T 3 S+ 0 0 131 2,-0.0 -1,-0.3 -23,-0.0 -2,-0.1 0.775 79.5 94.2 -62.6 -25.3 11.4 -2.5 -1.9 31 34 A a S < S- 0 0 12 -3,-1.3 66,-0.0 1,-0.1 4,-0.0 -0.303 82.1-130.9 -65.9 154.8 7.8 -2.3 -3.0 32 35 A S S S+ 0 0 84 -24,-0.1 -1,-0.1 2,-0.0 -23,-0.1 0.774 91.4 55.9 -78.1 -27.3 7.0 -3.9 -6.4 33 36 A N S S- 0 0 54 -25,-0.2 -25,-0.4 -23,-0.0 2,-0.3 -0.863 81.3-132.0-109.8 137.3 5.2 -0.8 -7.6 34 37 A P + 0 0 90 0, 0.0 2,-0.3 0, 0.0 -6,-0.1 -0.683 44.4 154.5 -83.6 142.5 6.6 2.7 -7.7 35 38 A A - 0 0 3 -2,-0.3 -8,-2.3 -8,-0.3 2,-0.4 -0.997 44.0-131.7-164.9 160.4 4.2 5.2 -6.2 36 39 A V E -EF 26 46C 0 10,-1.9 10,-2.0 -2,-0.3 2,-0.6 -0.952 22.6-153.4-114.2 133.1 3.6 8.5 -4.5 37 40 A V E -EF 25 45C 0 -12,-3.3 -12,-0.9 -2,-0.4 2,-0.3 -0.937 7.9-149.2-111.8 112.6 1.3 8.4 -1.4 38 41 A F E -EF 24 44C 0 6,-2.7 6,-2.6 -2,-0.6 2,-0.4 -0.637 13.3-149.0 -80.3 136.7 -0.5 11.7 -0.8 39 42 A V E +EF 23 43C 28 -16,-3.2 -17,-3.3 -2,-0.3 -16,-1.8 -0.931 46.4 143.8-114.0 141.7 -1.1 12.3 2.9 40 43 A T S S- 0 0 43 2,-2.0 -1,-0.1 -2,-0.4 3,-0.1 0.649 93.5 -70.0-120.0 -34.7 -4.0 14.1 4.2 41 46 A N S S+ 0 0 100 23,-0.0 2,-0.5 -19,-0.0 27,-0.1 -0.753 136.0 78.8 69.6 -58.6 -4.5 11.4 8.1 42 47 A A S S- 0 0 9 25,-0.1 -2,-2.0 26,-0.0 2,-0.7 -0.848 90.1-144.5 -95.5 150.1 -5.4 9.4 5.1 43 48 A Q E -F 39 0C 58 -2,-0.5 26,-2.4 -4,-0.2 27,-0.6 -0.872 17.7-172.7-109.5 109.3 -2.9 7.8 2.8 44 49 A V E -F 38 0C 0 -6,-2.6 -6,-2.7 -2,-0.7 2,-0.2 -0.853 18.1-134.0-106.5 126.8 -3.8 7.8 -0.9 45 50 A b E +F 37 0C 0 -2,-0.5 -33,-2.4 -8,-0.2 2,-0.3 -0.494 30.3 174.8 -74.2 139.9 -1.8 5.9 -3.6 46 51 A A E -F 36 0C 0 -10,-2.0 -10,-1.9 -35,-0.3 -33,-0.1 -0.978 36.6 -97.7-145.7 156.9 -1.1 7.8 -6.9 47 52 A N > - 0 0 41 -35,-0.3 3,-1.2 -2,-0.3 6,-0.2 -0.647 22.2-148.2 -80.8 121.7 0.8 7.3 -10.1 48 53 A P T 3 S+ 0 0 14 0, 0.0 -1,-0.1 0, 0.0 -13,-0.1 0.629 94.4 62.2 -61.6 -13.1 4.3 9.0 -10.0 49 54 A E T 3 S+ 0 0 152 4,-0.1 -14,-0.0 5,-0.0 -2,-0.0 0.742 78.5 100.4 -88.6 -23.6 4.0 9.6 -13.8 50 55 A K S <> S- 0 0 114 -3,-1.2 4,-2.1 1,-0.1 5,-0.2 -0.250 72.0-130.3 -65.7 152.0 0.9 11.8 -13.9 51 56 A K H > S+ 0 0 164 1,-0.2 4,-3.4 2,-0.2 5,-0.3 0.921 107.1 51.2 -66.8 -47.7 1.2 15.5 -14.3 52 57 A W H > S+ 0 0 46 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.810 110.0 52.6 -63.0 -28.1 -1.1 16.5 -11.4 53 58 A V H > S+ 0 0 0 2,-0.2 4,-2.1 -6,-0.2 -2,-0.2 0.961 114.2 40.1 -70.3 -51.7 1.0 14.2 -9.2 54 59 A R H X S+ 0 0 118 -4,-2.1 4,-2.0 1,-0.2 -2,-0.2 0.922 118.5 48.5 -62.6 -43.6 4.3 15.8 -10.1 55 60 A E H X S+ 0 0 53 -4,-3.4 4,-2.5 2,-0.2 -1,-0.2 0.842 109.0 52.2 -66.9 -36.3 2.8 19.2 -10.1 56 61 A Y H X S+ 0 0 39 -4,-1.9 4,-2.8 -5,-0.3 -1,-0.2 0.931 109.9 50.6 -63.4 -46.6 1.1 18.7 -6.7 57 62 A I H X S+ 0 0 10 -4,-2.1 4,-2.4 2,-0.2 -2,-0.2 0.899 110.1 49.3 -58.6 -42.3 4.4 17.6 -5.3 58 63 A N H X S+ 0 0 88 -4,-2.0 4,-2.3 2,-0.2 -2,-0.2 0.949 111.2 48.9 -63.1 -48.5 6.2 20.7 -6.7 59 64 A S H < S+ 0 0 66 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.920 110.9 52.1 -56.0 -45.2 3.5 23.0 -5.2 60 65 A L H < S+ 0 0 42 -4,-2.8 -1,-0.2 1,-0.2 -2,-0.2 0.933 108.9 48.3 -58.9 -48.3 3.9 21.2 -1.9 61 66 A E H < 0 0 122 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.906 360.0 360.0 -59.3 -41.9 7.7 21.6 -1.8 62 67 A M < 0 0 179 -4,-2.3 -2,-0.2 -5,-0.2 -1,-0.2 0.921 360.0 360.0 -78.0 360.0 7.4 25.3 -2.6 63 !* 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 64 1 B S 0 0 124 0, 0.0 -23,-0.0 0, 0.0 -24,-0.0 0.000 360.0 360.0 360.0 123.5 -12.6 12.7 4.8 65 2 B P + 0 0 83 0, 0.0 2,-0.4 0, 0.0 0, 0.0 0.730 360.0 43.1 -66.7 -22.7 -13.4 12.2 1.1 66 3 B Y - 0 0 75 -22,-0.0 2,-0.3 -24,-0.0 3,-0.0 -0.975 70.0-147.6-129.9 141.5 -10.9 9.4 0.8 67 4 B S - 0 0 100 -2,-0.4 -25,-0.1 1,-0.1 2,-0.0 -0.700 42.5 -87.1 -99.9 156.5 -10.0 6.4 2.9 68 5 B S + 0 0 65 -2,-0.3 -24,-0.2 1,-0.1 -1,-0.1 -0.331 42.0 177.9 -60.8 142.2 -6.4 5.1 3.0 69 6 B D + 0 0 58 -26,-2.4 -60,-0.4 -59,-0.1 -25,-0.1 0.194 35.4 119.4-134.2 15.3 -5.6 2.6 0.3 70 7 B T - 0 0 28 -27,-0.6 -62,-0.2 -62,-0.1 -27,-0.1 -0.371 58.3-130.2 -75.1 164.3 -1.9 1.7 0.8 71 8 B T E -D 7 0B 27 -64,-3.8 -64,-2.9 -2,-0.1 2,-0.4 -0.981 13.3-128.5-122.9 123.9 -1.2 -1.9 1.5 72 9 B P E +D 6 0B 37 0, 0.0 22,-0.6 0, 0.0 2,-0.3 -0.551 35.6 176.4 -71.7 124.9 1.1 -2.9 4.5 73 10 B c E -D 5 0B 2 -68,-2.3 -68,-3.1 -2,-0.4 2,-0.4 -0.813 21.8-128.5-125.3 168.9 3.8 -5.3 3.4 74 11 B d + 0 0 0 25,-0.3 25,-0.2 -2,-0.3 -70,-0.1 -0.969 29.6 161.7-126.0 132.7 6.8 -6.9 5.1 75 12 B F S S+ 0 0 49 -2,-0.4 2,-0.3 -72,-0.3 -1,-0.1 0.288 75.9 33.8-124.4 6.2 10.5 -6.9 4.1 76 13 B A - 0 0 37 -74,-0.1 2,-0.4 -73,-0.1 -1,-0.3 -0.969 68.8-140.2-159.8 144.4 11.9 -7.9 7.5 77 14 B Y - 0 0 82 -2,-0.3 37,-0.2 -3,-0.1 2,-0.2 -0.916 29.8-110.1-112.1 135.9 10.8 -10.1 10.4 78 15 B I - 0 0 45 35,-2.6 37,-0.3 -2,-0.4 4,-0.1 -0.437 26.0-152.5 -64.2 129.1 11.3 -9.2 14.1 79 16 B A S S+ 0 0 96 -2,-0.2 -1,-0.1 35,-0.1 3,-0.1 0.945 73.2 57.0 -69.0 -54.0 13.9 -11.6 15.5 80 17 B R S S- 0 0 65 1,-0.1 -2,-0.0 0, 0.0 -1,-0.0 -0.648 98.5 -97.4 -86.5 137.1 12.9 -11.7 19.2 81 18 B P - 0 0 77 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 -0.156 44.3-110.0 -50.8 141.7 9.4 -12.8 20.2 82 19 B L - 0 0 15 1,-0.1 2,-0.6 -4,-0.1 5,-0.1 -0.489 36.6 -93.5 -77.4 140.8 7.0 -9.8 20.9 83 20 B P > - 0 0 90 0, 0.0 3,-0.8 0, 0.0 -1,-0.1 -0.383 41.9-142.0 -55.7 105.5 5.9 -9.1 24.4 84 21 B R G > S+ 0 0 78 -2,-0.6 3,-0.8 1,-0.2 -2,-0.1 0.825 93.5 52.4 -38.2 -56.5 2.7 -11.1 24.3 85 22 B A G 3 S+ 0 0 94 1,-0.3 2,-1.6 21,-0.0 -1,-0.2 0.897 95.5 70.9 -52.1 -44.5 0.5 -8.7 26.3 86 23 B H G < S+ 0 0 38 -3,-0.8 21,-0.8 20,-0.1 2,-0.4 0.068 81.4 101.4 -66.1 31.2 1.4 -5.7 24.1 87 24 B I E < +B 106 0A 18 -2,-1.6 19,-0.2 -3,-0.8 3,-0.1 -0.969 39.1 172.0-123.3 134.8 -0.6 -7.2 21.2 88 25 B K E - 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0 0 2 -2,-2.0 -8,-1.6 -7,-0.2 2,-0.4 -0.433 39.4-126.0-102.3 174.0 4.1 -12.5 6.6 102 39 B V E -BC 92 114A 0 12,-2.7 12,-3.2 -10,-0.2 2,-0.5 -0.906 21.8-153.4-114.4 144.0 2.2 -12.2 9.8 103 40 B V E -BC 91 113A 0 -12,-1.7 -12,-1.8 -2,-0.4 2,-0.5 -0.969 5.7-164.7-129.2 122.9 1.5 -8.9 11.4 104 41 B F E -BC 90 112A 0 8,-2.7 8,-2.6 -2,-0.5 2,-0.7 -0.882 15.4-142.2-103.0 129.2 1.0 -8.2 15.1 105 42 B V E -BC 89 111A 21 -16,-2.5 -17,-3.4 -2,-0.5 -16,-0.8 -0.832 18.9-149.5 -94.7 114.1 -0.5 -4.9 16.1 106 43 B T E > -B 87 0A 19 4,-2.5 3,-1.8 -2,-0.7 -19,-0.2 -0.176 30.2-102.4 -74.3 172.4 1.1 -3.5 19.3 107 44 B A T 3 S+ 0 0 63 -21,-0.8 -1,-0.1 1,-0.3 -20,-0.1 0.732 126.6 58.2 -67.0 -22.8 -0.7 -1.4 21.9 108 45 B A T 3 S- 0 0 83 -22,-0.2 -1,-0.3 2,-0.1 3,-0.1 0.215 120.9-115.3 -89.3 13.4 1.2 1.6 20.4 109 46 B N < + 0 0 108 -3,-1.8 2,-0.2 1,-0.2 -2,-0.2 0.661 65.7 151.9 60.1 17.9 -0.6 0.5 17.2 110 47 B A - 0 0 33 1,-0.1 -4,-2.5 -107,-0.0 2,-0.8 -0.514 44.8-133.1 -74.5 147.5 2.8 -0.3 15.7 111 48 B Q E - 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