==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=12-JUL-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER IMMUNE SYSTEM 19-JUL-12 4G6M . COMPND 2 MOLECULE: INTERLEUKIN-1 BETA; . SOURCE 2 SYNTHETIC: YES; . AUTHOR M.BLECH,S.HOERER . 583 3 4 4 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 26716.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 369 63.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 9 1.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 236 40.5 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 5 0.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 5 0.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 5 0.9 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 . 55 9.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 49 8.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 13 2.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 0.9 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 1 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 1 0 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 0 0 PARALLEL BRIDGES PER LADDER . 8 8 6 2 8 10 0 2 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 . 1 0 5 1 1 1 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 2 A P 0 0 163 0, 0.0 3,-0.1 0, 0.0 90,-0.1 0.000 360.0 360.0 360.0 138.7 23.2 34.8 -18.0 2 3 A V - 0 0 17 88,-0.2 2,-0.3 1,-0.1 44,-0.1 -0.235 360.0-103.5 -55.8 135.9 20.5 32.1 -18.9 3 4 A R + 0 0 168 42,-0.4 42,-2.8 41,-0.0 2,-0.3 -0.532 56.2 160.6 -67.4 123.3 20.7 30.8 -22.5 4 5 A S E -A 44 0A 60 -2,-0.3 2,-0.3 40,-0.2 40,-0.2 -0.951 25.5-157.0-143.9 163.3 17.9 32.4 -24.7 5 6 A L E -A 43 0A 46 38,-1.8 38,-2.9 -2,-0.3 2,-0.5 -0.992 19.7-125.6-143.5 147.0 16.9 33.2 -28.3 6 7 A N E +A 42 0A 54 144,-0.4 144,-2.8 -2,-0.3 2,-0.3 -0.817 45.9 147.4 -95.6 127.5 14.7 35.7 -30.1 7 8 A C E -AB 41 149A 0 34,-2.7 34,-3.3 -2,-0.5 2,-0.3 -0.982 40.7-130.0-153.2 164.9 12.0 34.1 -32.4 8 9 A T E - B 0 148A 7 140,-2.8 140,-2.0 -2,-0.3 2,-0.4 -0.779 23.0-145.3-112.7 158.9 8.5 34.3 -33.9 9 10 A L E - B 0 147A 7 30,-0.4 8,-0.7 -2,-0.3 2,-0.4 -0.993 13.1-175.1-128.3 136.8 6.0 31.4 -33.9 10 11 A R E -CB 16 146A 54 136,-2.1 136,-2.8 -2,-0.4 6,-0.2 -0.975 25.3-121.0-127.3 140.8 3.4 30.6 -36.5 11 12 A D E > - B 0 145A 0 4,-2.2 3,-2.2 -2,-0.4 134,-0.3 -0.209 37.0 -90.9 -75.4 175.1 0.8 27.8 -36.2 12 13 A S T 3 S+ 0 0 51 132,-1.7 133,-0.1 1,-0.3 -1,-0.1 0.799 129.8 50.7 -50.7 -38.4 0.4 24.7 -38.5 13 14 A Q T 3 S- 0 0 82 131,-0.2 -1,-0.3 2,-0.1 132,-0.1 0.266 123.1-106.6 -90.0 12.2 -2.0 26.7 -40.7 14 15 A Q < + 0 0 111 -3,-2.2 16,-0.4 1,-0.3 2,-0.2 0.603 66.2 154.1 71.1 23.5 0.5 29.6 -40.9 15 16 A K - 0 0 0 14,-0.1 -4,-2.2 12,-0.1 14,-0.3 -0.571 36.9-133.7 -79.3 141.3 -1.4 32.0 -38.6 16 17 A S E -CD 10 28A 2 12,-2.5 12,-2.1 -2,-0.2 2,-0.4 -0.567 11.2-123.8 -91.0 159.6 0.7 34.6 -36.8 17 18 A L E + D 0 27A 5 -8,-0.7 22,-2.4 10,-0.2 2,-0.3 -0.907 32.8 179.2-106.1 129.2 0.5 35.5 -33.1 18 19 A V E -ED 38 26A 9 8,-2.5 8,-2.1 -2,-0.4 2,-1.0 -0.879 37.3-108.2-126.6 159.4 -0.2 39.1 -32.1 19 20 A M E + D 0 25A 68 18,-0.6 6,-0.2 -2,-0.3 -2,-0.0 -0.801 39.6 170.5 -89.9 100.1 -0.6 41.1 -28.8 20 21 A S E + 0 0 49 4,-1.0 5,-0.2 -2,-1.0 -1,-0.2 0.640 66.7 3.0 -83.8 -21.9 -4.4 41.9 -28.9 21 22 A G E > S- D 0 24A 21 3,-1.5 3,-1.3 5,-0.0 -1,-0.1 -0.920 89.7 -85.2-152.6 175.0 -4.5 43.2 -25.3 22 23 A P T 3 S+ 0 0 97 0, 0.0 3,-0.0 0, 0.0 -3,-0.0 0.767 130.2 18.4 -62.0 -24.6 -2.1 43.9 -22.4 23 24 A Y T 3 S+ 0 0 134 43,-0.0 58,-0.5 59,-0.0 2,-0.3 -0.144 115.6 86.0-134.8 35.8 -2.3 40.3 -21.2 24 25 A E E < -D 21 0A 76 -3,-1.3 -3,-1.5 56,-0.1 -4,-1.0 -0.999 48.8-164.7-145.7 142.8 -3.6 38.6 -24.3 25 26 A L E -D 19 0A 7 -2,-0.3 106,-2.6 106,-0.3 2,-0.3 -0.942 11.3-167.0-119.3 144.8 -2.4 37.0 -27.6 26 27 A K E -DF 18 130A 54 -8,-2.1 -8,-2.5 -2,-0.4 2,-0.4 -0.895 13.5-135.9-126.3 157.7 -4.6 36.2 -30.6 27 28 A A E +DF 17 129A 2 102,-2.1 101,-1.1 -2,-0.3 102,-1.0 -0.966 37.0 140.9-118.6 129.8 -3.9 34.1 -33.8 28 29 A L E -D 16 0A 37 -12,-2.1 -12,-2.5 -2,-0.4 2,-0.3 -0.974 55.6 -90.9-159.2 155.8 -4.8 35.3 -37.3 29 30 A H - 0 0 88 -2,-0.3 2,-0.5 -14,-0.3 -14,-0.1 -0.614 42.7-149.3 -72.5 128.5 -3.3 35.2 -40.8 30 31 A L - 0 0 27 -16,-0.4 2,-0.1 -2,-0.3 5,-0.1 -0.916 5.8-136.6-106.0 125.4 -1.3 38.3 -41.4 31 32 A Q >> - 0 0 132 -2,-0.5 3,-2.7 1,-0.1 4,-0.7 -0.412 37.7 -93.5 -73.0 154.5 -1.0 39.9 -44.9 32 33 A G T 34 S+ 0 0 77 1,-0.3 3,-0.2 2,-0.2 4,-0.1 0.643 126.0 51.7 -40.6 -29.0 2.4 41.1 -46.1 33 34 A Q T 34 S+ 0 0 130 1,-0.2 -1,-0.3 2,-0.1 3,-0.2 0.642 111.7 44.7 -87.4 -18.1 1.7 44.7 -44.9 34 35 A D T X4 S+ 0 0 56 -3,-2.7 3,-1.9 1,-0.1 4,-0.2 0.341 77.8 107.6-107.1 3.3 0.7 43.7 -41.3 35 36 A M G >< + 0 0 56 -4,-0.7 3,-1.6 1,-0.3 -1,-0.1 0.760 68.0 68.2 -50.6 -36.4 3.6 41.1 -40.6 36 37 A E G 3 S+ 0 0 184 1,-0.3 -1,-0.3 -3,-0.2 -2,-0.1 0.653 84.9 72.0 -62.7 -18.1 5.3 43.6 -38.2 37 38 A Q G < S+ 0 0 112 -3,-1.9 -18,-0.6 2,-0.1 -1,-0.3 0.716 73.2 110.1 -69.3 -24.9 2.4 43.2 -35.7 38 39 A Q B < S-E 18 0A 36 -3,-1.6 -20,-0.3 -4,-0.2 2,-0.2 -0.169 75.6-110.5 -56.7 143.4 3.6 39.6 -34.8 39 40 A V - 0 0 15 -22,-2.4 2,-0.6 -30,-0.1 -30,-0.4 -0.549 19.7-139.7 -80.2 143.1 5.1 39.1 -31.3 40 41 A V - 0 0 37 -2,-0.2 22,-2.3 22,-0.2 2,-0.3 -0.915 20.4-153.3-102.6 119.5 8.8 38.4 -30.9 41 42 A F E -AG 7 61A 2 -34,-3.3 -34,-2.7 -2,-0.6 2,-0.6 -0.715 11.9-148.3 -92.3 147.3 9.4 35.8 -28.1 42 43 A S E -AG 6 60A 21 18,-2.9 18,-2.2 -2,-0.3 2,-0.6 -0.973 22.2-160.6-111.6 101.3 12.6 35.5 -26.1 43 44 A M E -AG 5 59A 0 -38,-2.9 -38,-1.8 -2,-0.6 2,-0.3 -0.850 7.3-165.2 -92.5 117.7 12.8 31.7 -25.4 44 45 A S E -AG 4 58A 1 14,-2.1 14,-1.8 -2,-0.6 2,-0.8 -0.751 21.0-125.4-104.2 149.2 15.0 30.8 -22.5 45 46 A F E - G 0 57A 38 -42,-2.8 -42,-0.4 -2,-0.3 12,-0.2 -0.837 38.0-176.7 -98.4 106.0 16.4 27.3 -21.5 46 47 A V - 0 0 17 10,-1.1 47,-0.2 -2,-0.8 2,-0.1 -0.254 31.2 -74.1 -94.9-178.6 15.4 26.6 -17.9 47 48 A Q S S+ 0 0 136 45,-1.2 2,-0.3 -2,-0.1 -1,-0.2 -0.438 79.0 70.3 -78.1 154.1 16.1 23.7 -15.5 48 49 A G S S+ 0 0 53 -2,-0.1 2,-0.7 8,-0.0 7,-0.0 -0.992 81.1 3.4 146.9-152.1 14.5 20.3 -15.8 49 50 A E - 0 0 112 -2,-0.3 2,-0.4 2,-0.0 5,-0.0 -0.667 60.9-150.4 -79.6 107.0 14.4 17.0 -17.9 50 51 A E + 0 0 140 -2,-0.7 2,-0.3 5,-0.1 5,-0.2 -0.677 32.4 143.1 -84.2 127.0 17.0 17.2 -20.8 51 52 A S > - 0 0 29 -2,-0.4 3,-1.0 3,-0.3 -2,-0.0 -0.914 56.1-125.0-162.7 139.1 16.2 15.3 -24.1 52 53 A N T 3 S+ 0 0 143 -2,-0.3 3,-0.1 1,-0.3 52,-0.1 0.572 118.4 40.3 -62.4 -9.8 16.8 16.0 -27.8 53 54 A D T 3 S+ 0 0 87 1,-0.3 51,-1.1 50,-0.1 2,-0.3 0.504 126.2 29.6-112.5 -15.4 13.0 15.4 -28.2 54 55 A K E < + H 0 103A 53 -3,-1.0 -3,-0.3 49,-0.2 -1,-0.3 -0.861 65.1 167.1-152.9 111.6 11.8 17.3 -25.1 55 56 A I E - H 0 102A 23 47,-2.0 47,-2.8 -2,-0.3 2,-0.3 -0.988 36.7-112.6-129.5 138.3 13.5 20.3 -23.3 56 57 A P E + H 0 101A 8 0, 0.0 -10,-1.1 0, 0.0 2,-0.3 -0.476 44.0 168.4 -72.7 129.3 12.3 22.8 -20.6 57 58 A V E -GH 45 100A 0 43,-3.2 43,-3.0 -2,-0.3 2,-0.4 -0.904 30.3-140.4-132.1 163.3 11.8 26.4 -21.8 58 59 A A E -GH 44 99A 0 -14,-1.8 -14,-2.1 -2,-0.3 2,-0.7 -0.969 18.3-144.8-123.0 136.9 10.2 29.7 -20.7 59 60 A L E +G 43 0A 1 39,-0.5 9,-2.9 -2,-0.4 2,-0.3 -0.911 25.9 170.4-110.2 103.0 8.4 31.9 -23.3 60 61 A G E -GI 42 67A 1 -18,-2.2 -18,-2.9 -2,-0.7 2,-0.6 -0.749 38.1-114.6-106.9 156.7 8.8 35.6 -22.7 61 62 A L E > > -GI 41 66A 6 5,-2.8 3,-2.5 -2,-0.3 5,-0.6 -0.875 50.9 -95.9 -94.8 119.2 7.9 38.5 -24.9 62 63 A K T 3 5S- 0 0 70 -22,-2.3 -22,-0.2 -2,-0.6 -1,-0.1 -0.077 95.8 -19.6 -40.6 117.1 11.1 40.3 -26.0 63 64 A E T 3 5S+ 0 0 165 1,-0.1 -1,-0.3 3,-0.0 0, 0.0 0.571 112.7 104.1 55.1 21.2 11.9 43.3 -23.8 64 65 A K T < 5S- 0 0 114 -3,-2.5 -2,-0.2 2,-0.2 -1,-0.1 0.480 83.0-128.9-105.7 -5.3 8.2 43.4 -22.6 65 66 A N T 5 + 0 0 68 -4,-0.5 19,-2.6 1,-0.2 2,-0.4 0.874 68.8 125.4 53.9 41.4 8.6 41.9 -19.1 66 67 A L E < -IJ 61 83A 12 -5,-0.6 -5,-2.8 17,-0.2 2,-0.3 -0.994 38.5-174.0-129.0 136.3 5.8 39.5 -19.9 67 68 A Y E -IJ 60 82A 15 15,-2.3 15,-2.6 -2,-0.4 -7,-0.2 -0.981 27.3-117.8-129.0 146.5 5.9 35.7 -19.8 68 69 A L E + J 0 81A 5 -9,-2.9 -9,-0.4 -2,-0.3 2,-0.3 -0.571 41.3 176.5 -76.8 140.7 3.4 33.0 -20.8 69 70 A S E - J 0 80A 0 11,-2.3 11,-2.6 -2,-0.2 2,-0.5 -0.965 26.5-138.0-142.3 161.0 2.2 30.9 -17.8 70 71 A C E + J 0 79A 0 27,-2.0 2,-0.3 -2,-0.3 9,-0.2 -0.990 29.2 167.3-123.1 122.6 -0.2 28.1 -17.1 71 72 A V E - J 0 78A 0 7,-2.4 7,-2.6 -2,-0.5 2,-0.5 -0.948 40.6-106.1-132.3 154.0 -2.3 28.2 -14.0 72 73 A L E + J 0 77A 52 -2,-0.3 2,-0.4 182,-0.3 -2,-0.0 -0.686 39.8 178.1 -80.2 122.4 -5.4 26.3 -12.7 73 74 A K E > S- J 0 76A 69 3,-2.0 3,-1.9 -2,-0.5 -2,-0.0 -0.985 72.0 -17.1-130.3 116.1 -8.5 28.6 -13.0 74 75 A D T 3 S- 0 0 131 -2,-0.4 -1,-0.1 1,-0.3 -2,-0.0 0.908 128.7 -54.8 51.2 47.8 -11.9 27.1 -12.0 75 76 A D T 3 S+ 0 0 142 1,-0.1 -1,-0.3 -3,-0.0 -3,-0.1 0.474 118.2 111.7 66.0 10.1 -10.3 23.6 -12.2 76 77 A K E < S-J 73 0A 129 -3,-1.9 -3,-2.0 -5,-0.0 -1,-0.1 -0.946 75.0-118.7-114.9 123.9 -9.2 24.2 -15.8 77 78 A P E -J 72 0A 14 0, 0.0 2,-0.4 0, 0.0 -5,-0.2 -0.379 44.0-166.0 -55.0 123.8 -5.5 24.5 -16.9 78 79 A T E -J 71 0A 37 -7,-2.6 -7,-2.4 54,-0.1 2,-0.2 -0.980 21.6-132.5-127.5 133.7 -5.4 28.1 -18.3 79 80 A L E +J 70 0A 23 -2,-0.4 2,-0.3 -9,-0.2 -9,-0.2 -0.558 34.0 175.9 -78.5 138.7 -2.8 30.0 -20.4 80 81 A Q E -J 69 0A 48 -11,-2.6 -11,-2.3 -2,-0.2 2,-0.5 -0.926 31.8-135.7-138.8 160.0 -2.0 33.5 -19.1 81 82 A L E -J 68 0A 11 -58,-0.5 2,-0.4 -2,-0.3 -13,-0.2 -0.998 33.3-168.8-117.8 118.8 0.3 36.4 -20.0 82 83 A E E -J 67 0A 6 -15,-2.6 -15,-2.3 -2,-0.5 2,-0.2 -0.952 20.8-128.9-117.8 136.5 1.9 37.7 -16.8 83 84 A S E -J 66 0A 35 -2,-0.4 2,-0.3 -17,-0.2 -17,-0.2 -0.566 32.5-161.4 -76.9 138.9 3.9 40.8 -16.1 84 85 A V - 0 0 10 -19,-2.6 5,-0.1 -2,-0.2 381,-0.0 -0.861 29.3 -89.3-123.4 163.1 7.2 40.1 -14.2 85 86 A D >> - 0 0 27 -2,-0.3 3,-1.6 1,-0.2 4,-1.0 -0.498 32.1-147.9 -66.1 115.9 9.7 42.1 -12.2 86 87 A P T 34 S+ 0 0 70 0, 0.0 -1,-0.2 0, 0.0 3,-0.1 0.766 95.9 57.5 -60.5 -21.5 12.3 43.4 -14.7 87 88 A K T 34 S+ 0 0 184 1,-0.2 -2,-0.1 -3,-0.0 0, 0.0 0.525 112.0 38.6 -85.6 -8.2 15.1 43.1 -12.1 88 89 A N T <4 S+ 0 0 61 -3,-1.6 -1,-0.2 1,-0.1 -3,-0.0 0.443 96.5 117.7-118.7 -8.7 14.5 39.3 -11.4 89 90 A Y < + 0 0 20 -4,-1.0 2,-0.2 -3,-0.1 -1,-0.1 -0.953 54.2 33.5-126.0 148.9 13.8 38.0 -15.0 90 91 A P S S+ 0 0 67 0, 0.0 2,-0.3 0, 0.0 -88,-0.2 0.563 78.9 165.3 -71.0 156.1 15.0 36.0 -17.0 91 92 A K - 0 0 46 -2,-0.2 3,-0.1 1,-0.1 -47,-0.1 -0.983 45.2-125.3-140.4 149.1 16.4 33.5 -14.5 92 93 A K S S+ 0 0 116 -2,-0.3 -45,-1.2 1,-0.2 2,-0.9 0.877 105.7 52.2 -58.8 -44.4 17.6 29.9 -14.8 93 94 A K S S- 0 0 65 -47,-0.2 -1,-0.2 -3,-0.1 2,-0.2 -0.816 80.7-174.5 -99.4 94.9 15.2 28.6 -12.1 94 95 A M - 0 0 6 -2,-0.9 5,-0.1 -47,-0.1 -47,-0.1 -0.572 36.8 -92.6 -86.0 154.6 11.8 29.8 -13.2 95 96 A E > - 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