==== 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 IMMUNE SYSTEM 01-JUL-04 1TWM . COMPND 2 MOLECULE: INTERLEUKIN-1 BETA; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR D.H.ADAMEK,D.L.CAPSAR . 153 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 8349.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 99 64.7 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 . 62 40.5 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 1.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 3 2.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.7 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 . 17 11.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 12 7.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 1 0.7 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 0 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 . 6 1 1 1 5 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 ANTIPARALLEL BRIDGES PER LADDER . 0 0 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 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 1 A A 0 0 103 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 141.7 -19.4 19.4 -22.1 2 2 A P + 0 0 112 0, 0.0 2,-0.5 0, 0.0 90,-0.1 0.836 360.0 19.5 -28.3 -65.5 -22.9 17.9 -21.3 3 3 A V S S- 0 0 19 88,-0.1 2,-0.3 91,-0.0 44,-0.1 -0.957 91.9-139.1-111.5 125.7 -21.8 17.5 -17.7 4 4 A R E +A 46 0A 184 -2,-0.5 42,-2.4 42,-0.5 2,-0.3 -0.684 27.4 172.7 -88.5 140.9 -18.8 19.7 -16.8 5 5 A S E -A 45 0A 54 -2,-0.3 2,-0.3 40,-0.2 40,-0.2 -0.909 18.2-164.1-140.3 166.0 -16.0 18.3 -14.6 6 6 A L E -A 44 0A 50 38,-1.4 38,-2.7 -2,-0.3 2,-0.3 -0.979 24.5-120.6-152.0 141.5 -12.6 19.2 -13.3 7 7 A N E +A 43 0A 20 144,-0.4 144,-1.7 -2,-0.3 2,-0.3 -0.647 43.3 151.1 -87.2 143.8 -9.9 17.0 -11.7 8 8 A C E -AB 42 150A 0 34,-2.3 34,-3.4 -2,-0.3 2,-0.3 -0.987 36.3-132.5-162.6 166.3 -8.7 17.8 -8.2 9 9 A T E - B 0 149A 4 140,-2.1 140,-2.3 -2,-0.3 2,-0.3 -0.848 22.3-144.8-121.6 158.9 -7.3 16.4 -5.0 10 10 A L E - B 0 148A 8 30,-0.4 8,-0.6 -2,-0.3 2,-0.4 -0.928 11.6-172.1-126.6 151.3 -8.5 17.2 -1.5 11 11 A R E -CB 17 147A 48 136,-1.7 136,-2.0 -2,-0.3 6,-0.2 -0.985 24.7-124.7-141.6 129.2 -6.7 17.6 1.8 12 12 A D E > - B 0 146A 0 4,-1.7 3,-2.0 -2,-0.4 134,-0.3 -0.139 39.2 -94.0 -67.9 173.6 -8.5 17.9 5.2 13 13 A S T 3 S+ 0 0 40 132,-1.6 -1,-0.1 1,-0.3 133,-0.1 0.555 126.2 60.5 -67.0 -6.9 -7.7 20.9 7.4 14 14 A Q T 3 S- 0 0 93 2,-0.1 -1,-0.3 129,-0.0 -2,-0.1 0.153 120.2-109.2-102.3 14.7 -5.1 18.9 9.2 15 15 A Q < + 0 0 119 -3,-2.0 16,-0.4 1,-0.2 2,-0.3 0.736 67.0 151.4 66.0 26.3 -3.2 18.5 5.9 16 16 A K - 0 0 1 14,-0.2 -4,-1.7 -4,-0.1 14,-0.3 -0.687 36.2-138.9 -88.7 142.7 -4.0 14.8 5.6 17 17 A S E -CD 11 29A 0 12,-2.9 12,-2.4 -2,-0.3 2,-0.4 -0.595 13.5-120.4 -96.6 160.7 -4.2 13.4 2.1 18 18 A L E + D 0 28A 6 -8,-0.6 22,-2.6 10,-0.2 2,-0.3 -0.869 33.9 171.4-106.2 134.7 -6.8 10.8 0.8 19 19 A V E -ED 39 27A 8 8,-2.7 8,-3.0 -2,-0.4 2,-0.4 -0.929 39.3 -92.2-137.2 161.4 -5.8 7.4 -0.6 20 20 A M E - D 0 26A 67 18,-0.5 6,-0.3 -2,-0.3 4,-0.0 -0.608 34.4-178.1 -76.3 122.9 -7.5 4.2 -1.6 21 21 A S - 0 0 51 4,-3.0 -1,-0.2 -2,-0.4 5,-0.1 0.894 67.9 -19.2 -81.8 -85.5 -7.7 1.7 1.2 22 22 A G S S- 0 0 32 3,-0.0 3,-0.4 4,-0.0 -1,-0.0 -0.003 94.8 -72.3-100.7-149.2 -9.3 -1.4 -0.4 23 23 A P S S+ 0 0 89 0, 0.0 -3,-0.0 0, 0.0 3,-0.0 0.729 132.6 29.3 -82.6 -20.1 -11.4 -1.4 -3.6 24 24 A Y S S+ 0 0 130 43,-0.0 58,-0.8 60,-0.0 2,-0.3 -0.030 109.7 74.6-128.5 32.2 -14.3 0.4 -2.0 25 25 A E - 0 0 87 -3,-0.4 -4,-3.0 56,-0.1 2,-0.4 -1.000 54.7-151.8-148.5 148.0 -12.8 2.6 0.7 26 26 A L E -D 20 0A 5 -2,-0.3 106,-2.7 106,-0.3 2,-0.3 -0.905 12.4-166.5-116.3 146.2 -10.8 5.7 1.2 27 27 A K E -DF 19 131A 43 -8,-3.0 -8,-2.7 -2,-0.4 2,-0.4 -0.915 12.2-138.1-128.5 156.0 -8.4 6.5 4.1 28 28 A A E +DF 18 130A 1 102,-2.1 101,-1.0 -2,-0.3 102,-0.8 -0.956 31.3 153.2-119.6 133.7 -6.8 9.8 5.2 29 29 A L E -D 17 0A 22 -12,-2.4 -12,-2.9 -2,-0.4 2,-0.8 -0.993 51.5 -91.7-155.3 156.2 -3.2 10.1 6.3 30 30 A H + 0 0 94 -2,-0.3 2,-0.3 -14,-0.3 -14,-0.2 -0.620 53.8 177.5 -72.5 110.6 -0.3 12.6 6.5 31 31 A L + 0 0 24 -2,-0.8 2,-0.3 -16,-0.4 -13,-0.0 -0.844 6.7 169.5-117.1 151.8 1.5 12.1 3.2 32 32 A Q > - 0 0 165 -2,-0.3 3,-0.9 -15,-0.0 2,-0.2 -0.986 44.8 -7.2-161.1 151.8 4.6 13.9 1.9 33 33 A G G > S+ 0 0 42 -2,-0.3 3,-1.1 1,-0.2 4,-0.2 -0.424 124.0 2.5 68.5-130.6 7.2 13.7 -0.9 34 34 A Q G > S+ 0 0 149 1,-0.3 3,-1.8 -2,-0.2 -1,-0.2 0.897 128.7 59.0 -58.7 -45.8 7.2 10.6 -3.1 35 35 A D G X S+ 0 0 72 -3,-0.9 3,-3.0 1,-0.3 4,-0.4 0.699 81.7 89.2 -59.1 -17.8 4.2 9.0 -1.4 36 36 A M G X S+ 0 0 38 -3,-1.1 3,-1.1 1,-0.3 -1,-0.3 0.765 77.4 64.4 -51.1 -27.9 2.2 12.1 -2.4 37 37 A E G < S+ 0 0 147 -3,-1.8 -1,-0.3 1,-0.2 -2,-0.2 0.517 84.2 73.5 -77.3 -4.7 1.4 10.4 -5.7 38 38 A Q G < S+ 0 0 107 -3,-3.0 -18,-0.5 -4,-0.1 -1,-0.2 0.717 75.8 111.1 -78.0 -21.1 -0.6 7.7 -3.8 39 39 A Q B < S-E 19 0A 34 -3,-1.1 -20,-0.3 -4,-0.4 2,-0.2 -0.151 75.7-107.9 -59.0 145.1 -3.3 10.3 -3.3 40 40 A V - 0 0 14 -22,-2.6 2,-0.5 -30,-0.1 -30,-0.4 -0.503 22.9-146.7 -75.4 138.9 -6.7 9.9 -5.0 41 41 A V - 0 0 39 -2,-0.2 22,-2.6 22,-0.1 2,-0.3 -0.936 18.0-152.2-107.0 124.9 -7.5 12.3 -7.9 42 42 A F E -AG 8 62A 2 -34,-3.4 -34,-2.3 -2,-0.5 2,-0.7 -0.659 13.7-143.8 -97.9 154.5 -11.2 13.1 -8.1 43 43 A S E -AG 7 61A 23 18,-3.0 18,-1.9 -2,-0.3 2,-0.6 -0.947 24.4-156.4-114.9 101.2 -13.2 14.1 -11.0 44 44 A M E -AG 6 60A 0 -38,-2.7 -38,-1.4 -2,-0.7 2,-0.4 -0.740 7.6-161.5 -86.2 120.9 -15.7 16.6 -9.6 45 45 A S E -AG 5 59A 0 14,-2.5 14,-1.9 -2,-0.6 2,-1.0 -0.845 16.0-138.0-106.2 138.3 -18.8 17.0 -11.6 46 46 A F E +AG 4 58A 67 -42,-2.4 -42,-0.5 -2,-0.4 12,-0.2 -0.799 36.8 178.3 -96.1 99.3 -21.2 19.9 -11.4 47 47 A V - 0 0 7 -2,-1.0 47,-0.2 10,-0.7 2,-0.2 -0.293 32.5 -78.9 -95.0 178.4 -24.6 18.3 -11.5 48 48 A Q S S+ 0 0 91 45,-2.6 2,-0.3 -2,-0.1 47,-0.2 -0.502 70.7 100.0 -79.9 147.9 -28.2 19.5 -11.3 49 49 A G S S- 0 0 47 -2,-0.2 2,-0.4 45,-0.1 45,-0.0 -0.901 76.8 -34.7 159.0 174.4 -29.8 20.5 -8.0 50 50 A E - 0 0 135 -2,-0.3 2,-0.3 6,-0.1 -2,-0.0 -0.425 68.2-165.2 -60.1 115.1 -30.7 23.3 -5.6 51 51 A E + 0 0 123 -2,-0.4 2,-0.3 5,-0.1 5,-0.2 -0.745 18.1 174.8-110.7 155.9 -27.9 25.9 -6.1 52 52 A S - 0 0 42 3,-2.2 3,-0.0 -2,-0.3 0, 0.0 -0.903 47.6-100.4-145.6 169.4 -26.7 28.9 -4.2 53 53 A N S S+ 0 0 145 -2,-0.3 3,-0.1 1,-0.2 -2,-0.0 0.693 126.7 24.0 -69.7 -16.6 -23.7 31.3 -4.5 54 54 A D S S+ 0 0 68 1,-0.2 51,-1.7 50,-0.0 2,-0.4 0.354 117.5 65.7-127.7 1.2 -22.0 29.4 -1.7 55 55 A K E + H 0 104A 58 49,-0.2 -3,-2.2 2,-0.0 49,-0.2 -0.929 60.3 175.5-129.9 105.9 -23.6 26.0 -2.0 56 56 A I E - H 0 103A 27 47,-2.6 47,-3.8 -2,-0.4 2,-0.3 -0.945 27.0-130.4-116.6 125.0 -22.9 24.1 -5.2 57 57 A P E + H 0 102A 2 0, 0.0 -10,-0.7 0, 0.0 2,-0.3 -0.557 38.0 165.5 -74.9 129.5 -24.2 20.5 -5.9 58 58 A V E -GH 46 101A 0 43,-3.2 43,-3.0 -2,-0.3 2,-0.4 -0.927 32.0-138.2-139.8 164.4 -21.5 18.1 -7.1 59 59 A A E -GH 45 100A 0 -14,-1.9 -14,-2.5 -2,-0.3 2,-0.6 -0.935 18.7-144.9-120.2 143.7 -20.7 14.4 -7.6 60 60 A L E +G 44 0A 1 39,-0.5 9,-2.6 -2,-0.4 2,-0.3 -0.920 25.7 166.0-117.8 108.4 -17.3 13.0 -6.7 61 61 A G E -GI 43 68A 1 -18,-1.9 -18,-3.0 -2,-0.6 2,-0.4 -0.739 41.8-103.8-113.1 163.5 -16.0 10.2 -8.8 62 62 A L E > -G 42 0A 8 5,-2.3 3,-2.2 3,-0.4 5,-0.4 -0.763 50.2 -97.2 -87.2 132.7 -12.4 8.8 -9.0 63 63 A K T 3 S- 0 0 67 -22,-2.6 -22,-0.1 -2,-0.4 -1,-0.1 -0.225 102.6 -4.3 -52.1 127.3 -10.6 10.1 -12.1 64 64 A E T 3 S+ 0 0 181 1,-0.2 2,-0.4 -3,-0.0 -1,-0.3 0.601 114.2 101.4 64.3 13.5 -10.8 7.5 -14.9 65 65 A K S < S- 0 0 116 -3,-2.2 2,-2.4 2,-0.2 -3,-0.4 -0.991 76.7-129.1-128.6 135.8 -12.6 4.9 -12.7 66 66 A N S S+ 0 0 67 -2,-0.4 19,-1.7 -5,-0.1 2,-0.4 -0.339 73.7 115.4 -79.8 60.1 -16.3 4.1 -12.8 67 67 A L E - J 0 84A 18 -2,-2.4 -5,-2.3 -5,-0.4 2,-0.3 -0.999 41.5-177.6-131.6 131.6 -16.4 4.6 -9.0 68 68 A Y E -IJ 61 83A 13 15,-2.3 15,-3.1 -2,-0.4 2,-0.3 -0.959 32.4-110.0-132.0 148.1 -18.3 7.3 -7.1 69 69 A L E - J 0 82A 4 -9,-2.6 -9,-0.3 -2,-0.3 2,-0.3 -0.577 45.3-177.2 -73.8 137.5 -18.8 8.4 -3.5 70 70 A S E - J 0 81A 0 11,-2.8 11,-2.2 -2,-0.3 2,-0.5 -0.978 24.5-140.3-140.2 149.4 -22.3 7.6 -2.5 71 71 A C E + J 0 80A 0 27,-2.0 2,-0.3 -2,-0.3 9,-0.2 -0.953 34.1 156.6-114.6 119.0 -24.4 8.0 0.7 72 72 A V E - J 0 79A 35 7,-2.5 7,-2.5 -2,-0.5 2,-0.6 -0.915 46.6-100.4-137.3 162.5 -26.7 5.2 1.7 73 73 A L E + J 0 78A 112 -2,-0.3 2,-0.5 5,-0.2 3,-0.0 -0.755 40.0 176.3 -85.3 122.3 -28.4 3.9 4.8 74 74 A K S S- 0 0 131 3,-2.3 6,-0.0 -2,-0.6 -2,-0.0 -0.938 73.9 -10.2-131.6 108.0 -26.5 1.0 6.2 75 75 A D S S- 0 0 149 -2,-0.5 -1,-0.1 1,-0.2 -2,-0.0 0.901 129.8 -55.8 70.2 42.7 -27.8 -0.4 9.5 76 76 A D S S+ 0 0 157 1,-0.1 -1,-0.2 -3,-0.0 -3,-0.1 0.761 119.0 101.3 62.2 29.9 -30.2 2.5 9.9 77 77 A K S S- 0 0 121 -5,-0.1 -3,-2.3 -3,-0.0 -1,-0.1 -0.992 82.0-101.3-146.7 135.6 -27.4 5.1 9.7 78 78 A P E -J 73 0A 19 0, 0.0 2,-0.4 0, 0.0 -5,-0.2 -0.297 49.9-175.2 -53.6 129.5 -26.2 7.4 6.9 79 79 A T E -J 72 0A 37 -7,-2.5 -7,-2.5 54,-0.1 2,-0.3 -0.990 22.9-134.3-137.4 142.8 -23.1 5.8 5.5 80 80 A L E +J 71 0A 23 -2,-0.4 2,-0.3 -9,-0.2 -9,-0.2 -0.730 34.2 160.7 -93.6 140.5 -20.4 6.8 2.9 81 81 A Q E -J 70 0A 64 -11,-2.2 -11,-2.8 -2,-0.3 2,-0.6 -0.987 42.1-113.5-154.8 161.9 -19.3 4.3 0.3 82 82 A L E -J 69 0A 9 -58,-0.8 2,-0.4 -2,-0.3 -13,-0.2 -0.882 38.7-163.5 -97.4 126.1 -17.6 3.9 -3.1 83 83 A E E -J 68 0A 35 -15,-3.1 -15,-2.3 -2,-0.6 2,-0.3 -0.926 14.3-132.8-118.7 138.7 -20.1 2.6 -5.6 84 84 A S E -J 67 0A 56 -2,-0.4 2,-0.3 -17,-0.2 -17,-0.2 -0.643 28.6-174.9 -83.8 141.1 -19.5 1.1 -9.0 85 85 A V - 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