==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=15-APR-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER IMMUNE SYSTEM 21-JAN-12 4DEP . COMPND 2 MOLECULE: INTERLEUKIN-1 BETA; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR C.THOMAS,K.C.GARCIA . 1482 19 18 12 6 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 68515.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 936 63.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 79 5.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 493 33.3 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 7 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 8 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 34 2.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 4 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 4 0.3 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 . 198 13.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 113 7.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 11 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 7 0.5 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 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 RESIDUES PER ALPHA HELIX . 2 3 3 5 2 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 PARALLEL BRIDGES PER LADDER . 18 12 8 20 14 8 3 6 3 0 3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 3 10 4 8 2 0 0 0 0 0 0 0 0 2 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 73 0, 0.0 401,-1.7 0, 0.0 3,-0.1 0.000 360.0 360.0 360.0 98.0 79.8 24.0 77.0 2 2 A P + 0 0 78 0, 0.0 2,-0.3 0, 0.0 398,-0.1 0.654 360.0 8.0 -66.0 -23.8 78.2 21.7 74.3 3 3 A V S S- 0 0 14 399,-0.1 2,-0.4 88,-0.0 44,-0.1 -0.962 76.1-122.5-153.0 150.3 79.7 23.9 71.5 4 4 A R - 0 0 15 -2,-0.3 42,-2.1 42,-0.3 2,-0.3 -0.800 25.0-170.8 -96.4 133.7 82.2 26.8 71.3 5 5 A S E -A 45 0A 43 -2,-0.4 2,-0.3 40,-0.2 40,-0.2 -0.855 5.0-164.8-112.8 153.7 81.3 30.2 69.8 6 6 A L E -A 44 0A 17 38,-0.9 38,-3.0 -2,-0.3 2,-0.7 -0.974 21.9-124.5-132.9 154.3 83.5 33.1 69.0 7 7 A N E +A 43 0A 44 -2,-0.3 144,-2.5 144,-0.3 2,-0.3 -0.846 40.5 167.2-104.1 109.3 82.4 36.6 68.2 8 8 A C E -AB 42 150A 0 34,-1.7 34,-3.5 -2,-0.7 2,-0.3 -0.815 31.9-134.0-125.8 160.3 83.6 38.0 64.9 9 9 A T E -AB 41 149A 15 140,-4.1 140,-1.8 -2,-0.3 2,-0.4 -0.858 27.2-143.4-108.0 143.7 83.1 40.8 62.4 10 10 A L E + B 0 148A 6 30,-0.6 8,-1.1 -2,-0.3 2,-0.3 -0.901 21.7 168.0-117.6 143.6 82.9 40.1 58.7 11 11 A R E -CB 17 147A 21 136,-1.8 136,-2.7 -2,-0.4 6,-0.2 -0.955 27.9-121.8-138.0 158.0 84.0 41.8 55.5 12 12 A D E > - B 0 146A 2 4,-2.0 3,-1.9 -2,-0.3 134,-0.2 -0.422 38.4 -94.6 -91.3 175.9 84.2 40.8 51.9 13 13 A S T 3 S+ 0 0 39 132,-1.7 133,-0.1 1,-0.3 -1,-0.1 0.672 125.1 55.5 -67.1 -20.0 87.3 40.7 49.6 14 14 A Q T 3 S- 0 0 8 131,-0.2 -1,-0.3 2,-0.1 132,-0.1 0.154 122.3-106.9 -99.8 20.7 86.5 44.2 48.3 15 15 A Q < + 0 0 14 -3,-1.9 2,-0.2 1,-0.2 -2,-0.1 0.594 67.9 149.7 71.8 17.7 86.5 45.5 51.9 16 16 A K - 0 0 4 14,-0.1 -4,-2.0 12,-0.1 14,-0.3 -0.581 36.6-138.0 -79.6 144.4 82.8 46.0 52.3 17 17 A S E -CD 11 29A 1 12,-3.3 12,-2.4 -2,-0.2 2,-0.6 -0.684 10.6-120.4-101.5 158.1 81.3 45.6 55.7 18 18 A L E + D 0 28A 7 -8,-1.1 22,-2.9 -2,-0.2 2,-0.3 -0.859 35.9 167.9 -99.4 124.2 78.0 43.9 56.8 19 19 A V E -ED 39 27A 3 8,-2.3 8,-2.2 -2,-0.6 2,-0.4 -0.875 37.8-109.3-129.5 160.0 75.4 46.0 58.5 20 20 A M E - D 0 26A 39 18,-0.5 6,-0.2 -2,-0.3 -2,-0.0 -0.863 28.0-167.6-106.0 134.6 71.9 45.3 59.3 21 21 A S - 0 0 49 4,-1.9 5,-0.1 1,-0.7 -1,-0.1 -0.166 68.1 -31.8-117.2 25.3 69.5 47.2 57.3 22 22 A G S S- 0 0 44 3,-0.1 -1,-0.7 135,-0.0 3,-0.3 0.117 102.7 -70.7 95.5 125.4 66.0 46.9 58.6 23 23 A P S S+ 0 0 95 0, 0.0 3,-0.0 0, 0.0 59,-0.0 0.218 115.4 37.1 -66.0 171.8 65.7 43.5 60.1 24 24 A Y S S+ 0 0 148 1,-0.1 58,-0.3 57,-0.0 2,-0.3 0.670 109.6 80.3 61.6 19.8 65.6 40.0 58.5 25 25 A E - 0 0 71 -3,-0.3 -4,-1.9 56,-0.1 2,-0.4 -0.865 58.7-164.3-161.9 116.9 68.1 41.5 55.9 26 26 A L E -D 20 0A 7 -2,-0.3 106,-2.2 106,-0.2 2,-0.4 -0.832 12.9-166.3 -97.3 141.8 71.9 42.2 55.9 27 27 A K E -DF 19 131A 3 -8,-2.2 -8,-2.3 -2,-0.4 2,-0.4 -0.960 12.9-136.5-125.8 146.7 73.4 44.5 53.3 28 28 A A E +DF 18 130A 1 102,-2.4 102,-1.7 -2,-0.4 101,-0.4 -0.879 38.6 138.7-103.5 132.8 77.1 44.9 52.4 29 29 A L E -D 17 0A 4 -12,-2.4 -12,-3.3 -2,-0.4 2,-0.4 -0.972 53.8 -87.7-157.7 169.8 78.6 48.4 51.9 30 30 A H - 0 0 5 -2,-0.3 2,-0.4 -14,-0.3 -14,-0.1 -0.719 44.9-155.4 -84.9 139.3 81.7 50.5 52.5 31 31 A L - 0 0 6 -2,-0.4 223,-0.8 223,-0.2 2,-0.2 -0.888 10.5-126.9-120.8 144.7 81.6 52.3 55.9 32 32 A Q B > -O 253 0B 7 -2,-0.4 3,-3.0 221,-0.2 221,-0.2 -0.594 34.5-105.4 -89.0 157.1 83.3 55.4 57.2 33 33 A G G > S+ 0 0 19 219,-2.0 3,-1.0 1,-0.3 4,-0.2 0.695 116.3 59.1 -58.6 -30.4 85.3 55.3 60.3 34 34 A Q G 3 S+ 0 0 83 218,-0.3 -1,-0.3 1,-0.2 3,-0.1 0.476 109.4 45.8 -78.3 -3.2 82.7 57.1 62.4 35 35 A D G X S+ 0 0 40 -3,-3.0 3,-1.6 1,-0.1 -1,-0.2 0.061 71.8 112.5-126.6 23.2 80.1 54.4 61.7 36 36 A M G X + 0 0 29 -3,-1.0 3,-1.4 1,-0.3 -2,-0.1 0.761 69.0 70.7 -65.1 -22.9 82.3 51.2 62.2 37 37 A E G 3 S+ 0 0 99 1,-0.3 -1,-0.3 -4,-0.2 -2,-0.1 0.637 82.3 74.5 -67.1 -13.1 80.0 50.5 65.3 38 38 A Q G < + 0 0 93 -3,-1.6 -18,-0.5 2,-0.1 2,-0.3 0.379 69.7 120.2 -83.1 4.5 77.3 49.7 62.8 39 39 A Q B < S-E 19 0A 39 -3,-1.4 2,-0.5 -20,-0.1 -20,-0.2 -0.551 72.4-114.9 -74.5 129.0 78.9 46.4 61.8 40 40 A V - 0 0 5 -22,-2.9 -30,-0.6 -2,-0.3 2,-0.5 -0.477 29.7-142.7 -58.4 112.9 76.8 43.2 62.4 41 41 A V E -A 9 0A 42 -2,-0.5 22,-1.1 22,-0.1 -32,-0.2 -0.726 20.9-151.9 -84.2 124.2 78.8 41.3 65.1 42 42 A F E -AG 8 62A 2 -34,-3.5 -34,-1.7 -2,-0.5 2,-0.5 -0.596 13.7-145.8 -99.7 158.7 78.6 37.6 64.4 43 43 A S E -AG 7 61A 19 18,-2.7 18,-2.0 -36,-0.2 2,-1.0 -0.973 13.7-155.8-122.7 111.5 78.7 34.5 66.6 44 44 A M E -AG 6 60A 0 -38,-3.0 -38,-0.9 -2,-0.5 2,-0.5 -0.789 8.9-165.9 -94.7 101.6 80.4 31.6 64.9 45 45 A S E -AG 5 59A 1 14,-2.0 14,-2.6 -2,-1.0 2,-1.7 -0.780 16.4-140.3 -90.0 123.2 79.2 28.5 66.5 46 46 A F + 0 0 15 -42,-2.1 -42,-0.3 -2,-0.5 12,-0.2 -0.518 38.6 175.4 -88.3 74.7 81.4 25.5 65.6 47 47 A V - 0 0 9 -2,-1.7 2,-0.4 1,-0.1 47,-0.2 0.242 33.7 -90.6 -71.0-173.5 78.6 22.9 65.1 48 48 A Q B +t 94 0C 40 45,-2.3 47,-0.5 8,-0.1 2,-0.2 -0.883 58.4 133.3-101.1 136.0 78.5 19.3 64.0 49 49 A G - 0 0 39 -2,-0.4 2,-0.3 45,-0.1 47,-0.0 -0.704 61.5 -29.6-154.7-155.3 78.0 18.5 60.3 50 50 A E - 0 0 64 -2,-0.2 2,-0.1 1,-0.1 0, 0.0 -0.539 63.1-114.8 -79.6 133.8 79.6 16.2 57.8 51 51 A E - 0 0 107 -2,-0.3 2,-0.3 5,-0.1 -1,-0.1 -0.459 41.2-176.1 -63.6 134.5 83.1 15.4 58.3 52 52 A S - 0 0 24 3,-0.4 -3,-0.0 -2,-0.1 -1,-0.0 -0.760 35.5-118.9-127.8 163.3 85.0 16.8 55.3 53 53 A N S S- 0 0 146 -2,-0.3 387,-0.1 1,-0.1 -1,-0.1 0.824 105.4 -0.5 -73.3 -30.9 88.6 16.5 54.6 54 54 A D S S+ 0 0 30 385,-0.1 2,-0.3 388,-0.1 -1,-0.1 0.282 107.7 94.9-150.7 4.8 89.2 20.2 54.8 55 55 A K - 0 0 43 49,-0.1 -3,-0.4 385,-0.1 49,-0.2 -0.708 57.0-144.3-100.2 160.5 86.0 22.1 55.5 56 56 A I E - H 0 103A 0 47,-1.8 47,-2.7 -2,-0.3 2,-0.3 -0.949 16.8-132.0-128.8 111.2 84.8 23.2 59.0 57 57 A P E + H 0 102A 12 0, 0.0 2,-0.3 0, 0.0 45,-0.2 -0.449 38.2 164.5 -64.3 116.5 81.0 23.1 59.7 58 58 A V E - H 0 101A 0 43,-3.6 43,-4.1 -2,-0.3 2,-0.4 -0.953 30.7-140.6-134.5 154.0 79.8 26.3 61.3 59 59 A A E -GH 45 100A 0 -14,-2.6 -14,-2.0 -2,-0.3 2,-0.8 -0.936 17.1-141.1-114.8 139.8 76.5 28.2 62.0 60 60 A L E +G 44 0A 1 39,-0.7 9,-3.0 -2,-0.4 2,-0.4 -0.822 26.7 169.8-109.8 100.3 76.2 31.9 61.6 61 61 A G E -GI 43 68A 0 -18,-2.0 -18,-2.7 -2,-0.8 7,-0.2 -0.830 32.4-121.9-107.5 145.7 74.1 33.7 64.2 62 62 A L E -G 42 0A 7 5,-2.1 2,-0.8 -2,-0.4 3,-0.5 -0.392 42.5 -97.6 -74.1 163.1 73.7 37.4 64.8 63 63 A K S S- 0 0 103 -22,-1.1 -22,-0.1 1,-0.3 -1,-0.1 -0.749 89.1 -23.7-101.7 107.0 74.6 38.5 68.3 64 64 A E S S+ 0 0 90 -2,-0.8 -1,-0.3 3,-0.1 -3,-0.0 0.919 112.4 95.3 58.0 46.1 71.7 39.0 70.8 65 65 A K S S- 0 0 94 -3,-0.5 -2,-0.1 2,-0.2 3,-0.1 0.243 89.4-131.9-124.1 -9.9 69.1 39.5 68.0 66 66 A N + 0 0 66 -4,-0.3 19,-1.9 1,-0.2 2,-0.4 0.906 62.0 131.9 51.9 48.1 68.4 35.8 68.3 67 67 A L E - J 0 84A 13 -5,-0.3 -5,-2.1 17,-0.2 2,-0.4 -0.965 38.7-164.2-122.5 145.4 68.6 35.4 64.5 68 68 A Y E -IJ 61 83A 20 15,-2.5 15,-2.1 -2,-0.4 -7,-0.2 -0.983 27.8-109.3-128.1 142.6 70.5 32.8 62.5 69 69 A L E - J 0 82A 5 -9,-3.0 2,-0.4 -2,-0.4 -9,-0.3 -0.485 43.8-164.2 -68.8 134.8 71.4 32.8 58.9 70 70 A S E - J 0 81A 0 11,-4.8 11,-3.5 -2,-0.2 2,-0.5 -0.948 24.1-150.9-137.0 153.3 69.5 30.3 56.9 71 71 A C E + J 0 80A 2 27,-1.6 2,-0.3 -2,-0.4 9,-0.2 -0.934 34.9 142.5-115.7 116.6 69.4 28.5 53.6 72 72 A V E - J 0 79A 32 7,-2.5 7,-3.3 -2,-0.5 2,-0.1 -0.921 49.0 -90.7-142.9 168.6 66.0 27.4 52.2 73 73 A L + 0 0 104 -2,-0.3 2,-0.2 5,-0.2 0, 0.0 -0.468 34.8 175.8 -77.6 154.6 64.2 27.1 48.9 74 74 A K S S- 0 0 130 3,-0.4 3,-0.1 -2,-0.1 -2,-0.0 -0.685 80.1 -9.1-165.6 105.1 62.0 29.9 47.5 75 75 A D S S- 0 0 153 1,-0.2 -2,-0.0 -2,-0.2 0, 0.0 0.850 131.1 -59.1 60.1 41.2 60.4 29.5 44.1 76 76 A D S S+ 0 0 92 1,-0.2 -1,-0.2 0, 0.0 -3,-0.1 0.741 117.3 116.0 62.2 28.9 62.6 26.4 43.8 77 77 A K S S- 0 0 121 -3,-0.1 -3,-0.4 -5,-0.0 -1,-0.2 -0.987 74.2-110.8-130.6 124.9 65.8 28.5 44.3 78 78 A P - 0 0 16 0, 0.0 2,-0.3 0, 0.0 -5,-0.2 -0.243 45.8-178.1 -52.0 130.0 68.2 28.3 47.2 79 79 A T E -J 72 0A 36 -7,-3.3 -7,-2.5 54,-0.1 2,-0.5 -0.986 24.2-129.4-139.9 148.6 67.8 31.5 49.2 80 80 A L E +J 71 0A 23 -2,-0.3 2,-0.3 -9,-0.2 -9,-0.2 -0.833 37.1 156.0-103.4 127.0 69.5 33.0 52.3 81 81 A Q E -J 70 0A 69 -11,-3.5 -11,-4.8 -2,-0.5 2,-0.7 -0.879 43.2-106.3-139.1 173.2 67.4 34.4 55.2 82 82 A L E -J 69 0A 11 -58,-0.3 2,-0.3 -2,-0.3 -13,-0.2 -0.891 30.8-163.9-105.2 106.7 67.3 35.2 59.0 83 83 A E E -J 68 0A 44 -15,-2.1 -15,-2.5 -2,-0.7 2,-0.3 -0.694 16.3-132.4 -83.3 139.1 65.3 32.7 61.0 84 84 A S E +J 67 0A 72 -2,-0.3 2,-0.3 -17,-0.2 -17,-0.2 -0.670 31.6 179.6 -93.2 150.9 64.4 33.8 64.6 85 85 A V - 0 0 29 -19,-1.9 3,-0.0 -2,-0.3 0, 0.0 -0.917 36.8 -99.9-147.0 164.7 64.9 31.5 67.5 86 86 A D >> - 0 0 95 -2,-0.3 3,-2.4 1,-0.1 4,-1.4 -0.842 29.6-151.4 -93.7 111.7 64.7 30.8 71.3 87 87 A P T 34 S+ 0 0 75 0, 0.0 -1,-0.1 0, 0.0 -21,-0.0 0.548 92.5 66.3 -65.0 -10.9 68.2 31.4 72.8 88 88 A K T 34 S+ 0 0 89 1,-0.1 -2,-0.0 -3,-0.0 0, 0.0 0.799 108.5 40.8 -75.4 -29.5 67.6 28.9 75.6 89 89 A N T <4 S+ 0 0 129 -3,-2.4 -1,-0.1 1,-0.0 -4,-0.0 0.849 106.6 88.8 -84.9 -40.6 67.5 26.2 72.8 90 90 A Y < + 0 0 62 -4,-1.4 3,-0.0 1,-0.2 -5,-0.0 -0.792 49.9 61.6-105.0 153.2 70.3 27.4 70.6 91 91 A P S S- 0 0 56 0, 0.0 -1,-0.2 0, 0.0 -88,-0.0 -0.002 77.0-179.1 -82.9 106.4 73.3 27.2 70.1 92 92 A K - 0 0 27 1,-0.1 3,-0.2 2,-0.1 -2,-0.1 0.048 28.8-135.2 -61.5 179.2 72.6 23.5 69.5 93 93 A K S S+ 0 0 14 1,-0.3 -45,-2.3 -46,-0.1 2,-0.7 0.716 99.5 42.2-113.9 -36.8 75.4 21.1 68.6 94 94 A K B S-t 48 0C 64 -47,-0.2 -1,-0.3 298,-0.0 2,-0.2 -0.883 88.3-167.2-103.8 93.4 73.8 19.1 65.8 95 95 A M - 0 0 15 -2,-0.7 5,-0.1 -47,-0.5 2,-0.1 -0.526 29.4 -95.0 -81.6 149.1 72.2 22.1 64.0 96 96 A E >> - 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