==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=4-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER COMPLEX (IMMUNOGLOBULIN/RECEPTOR) 15-JAN-97 1ITB . COMPND 2 MOLECULE: INTERLEUKIN-1 BETA; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR G.P.A.VIGERS,L.J.ANDERSON,P.CAFFES,B.J.BRANDHUBER . 463 2 5 5 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 22663.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 289 62.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 19 4.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 142 30.7 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 3 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 9 1.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.2 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 . 68 14.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 35 7.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), 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 . 2 0.4 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 . 1 0 1 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 PARALLEL BRIDGES PER LADDER . 8 9 2 4 4 1 0 2 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 2 1 2 1 1 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 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 57 0, 0.0 409,-3.3 0, 0.0 3,-0.0 0.000 360.0 360.0 360.0 131.1 56.9 -4.6 26.4 2 2 A P + 0 0 84 0, 0.0 2,-0.3 0, 0.0 406,-0.2 0.728 360.0 33.1 -67.3 -27.5 58.2 -6.2 23.2 3 3 A V S S- 0 0 9 407,-0.1 2,-0.6 88,-0.1 44,-0.1 -0.937 86.7-115.0-130.6 149.8 55.9 -4.0 21.0 4 4 A R E +A 46 0A 23 42,-0.6 42,-2.8 -2,-0.3 2,-0.3 -0.807 43.0 174.0 -87.7 123.3 54.7 -0.5 21.4 5 5 A S E -A 45 0A 40 -2,-0.6 2,-0.3 40,-0.2 40,-0.2 -0.987 15.7-172.1-135.3 144.9 50.9 -0.4 22.0 6 6 A L E -A 44 0A 22 38,-1.9 38,-2.7 -2,-0.3 2,-0.6 -0.972 24.1-125.1-135.3 145.6 48.3 2.3 22.8 7 7 A N E +A 43 0A 57 -2,-0.3 144,-3.2 36,-0.2 2,-0.2 -0.839 40.6 162.9 -94.5 122.4 44.6 2.1 23.6 8 8 A C E -AB 42 150A 0 34,-1.2 34,-2.9 -2,-0.6 142,-0.2 -0.816 33.2-147.5-132.5 173.8 42.3 4.2 21.4 9 9 A T - 0 0 13 140,-1.9 9,-0.3 -2,-0.2 31,-0.1 0.773 24.3-153.9-115.6 -38.8 38.6 4.6 20.4 10 10 A L - 0 0 5 139,-0.2 8,-0.6 1,-0.1 2,-0.3 0.786 10.6-170.4 63.3 122.7 38.1 5.8 16.8 11 11 A R E -CD 17 147A 18 136,-1.6 136,-2.1 6,-0.2 6,-0.2 -0.983 27.4-116.8-137.8 139.1 35.1 7.7 15.4 12 12 A D E > - D 0 146A 1 4,-2.6 3,-1.3 -2,-0.3 134,-0.3 -0.101 36.1 -96.6 -70.2 179.3 34.5 8.3 11.7 13 13 A S T 3 S+ 0 0 37 132,-1.6 258,-0.1 1,-0.3 133,-0.1 0.619 124.6 59.9 -72.8 -13.3 34.5 11.8 10.3 14 14 A Q T 3 S- 0 0 17 131,-0.2 -1,-0.3 2,-0.1 259,-0.1 0.292 121.2-107.2 -94.7 7.8 30.7 11.8 10.4 15 15 A Q S < S+ 0 0 22 -3,-1.3 2,-0.3 1,-0.3 -2,-0.1 0.431 70.6 144.5 79.9 6.4 30.8 11.3 14.2 16 16 A K - 0 0 2 14,-0.1 -4,-2.6 12,-0.1 -1,-0.3 -0.536 38.7-144.8 -77.8 134.6 29.7 7.7 14.2 17 17 A S E -CE 11 29A 5 12,-2.4 12,-1.7 -2,-0.3 2,-0.4 -0.390 15.5-117.9 -90.3 171.4 31.3 5.4 16.8 18 18 A L E + E 0 28A 4 -8,-0.6 22,-1.4 -9,-0.3 2,-0.3 -0.927 34.9 166.9-117.6 143.2 32.2 1.8 16.2 19 19 A V E -FE 39 27A 6 8,-3.2 8,-2.3 -2,-0.4 2,-0.3 -0.908 42.5 -80.6-144.5 172.7 30.8 -1.2 18.1 20 20 A M E - E 0 26A 48 18,-0.6 2,-0.4 -2,-0.3 6,-0.2 -0.623 27.1-167.0 -80.8 132.0 30.5 -4.9 18.0 21 21 A S S S- 0 0 26 4,-2.3 -1,-0.1 -2,-0.3 5,-0.1 -0.658 80.3 -42.7-111.9 61.6 27.8 -6.2 15.6 22 22 A G S S- 0 0 47 -2,-0.4 3,-0.4 2,-0.1 -1,-0.3 0.823 96.5 -64.1 75.2 108.3 28.1 -9.7 17.1 23 23 A P S S+ 0 0 99 0, 0.0 3,-0.1 0, 0.0 -3,-0.0 0.170 128.1 38.8 -27.4 118.3 31.7 -10.9 17.7 24 24 A Y S S+ 0 0 141 1,-0.2 58,-0.7 59,-0.1 2,-0.3 0.314 112.2 62.3 110.0 8.4 33.6 -11.2 14.3 25 25 A E - 0 0 39 -3,-0.4 -4,-2.3 56,-0.1 2,-0.3 -0.988 62.5-155.3-156.7 148.0 32.0 -8.0 12.8 26 26 A L E -E 20 0A 3 106,-0.4 106,-2.0 -2,-0.3 2,-0.3 -0.863 7.8-169.2-125.9 157.3 32.0 -4.3 13.6 27 27 A K E -EG 19 131A 16 -8,-2.3 -8,-3.2 104,-0.3 2,-0.4 -0.989 15.1-136.3-147.4 153.5 29.6 -1.5 12.8 28 28 A A E +EG 18 130A 1 102,-2.0 102,-0.9 -2,-0.3 101,-0.5 -0.959 35.6 142.5-114.9 131.9 29.5 2.3 13.0 29 29 A L E -E 17 0A 1 -12,-1.7 -12,-2.4 -2,-0.4 2,-0.5 -0.948 55.4 -93.8-155.2 163.5 26.5 4.3 14.3 30 30 A H - 0 0 8 -2,-0.3 2,-0.4 -14,-0.3 -14,-0.1 -0.764 45.9-142.8 -87.2 130.0 26.0 7.4 16.3 31 31 A L - 0 0 6 -2,-0.5 230,-0.8 230,-0.2 2,-0.2 -0.775 8.1-121.9 -99.6 137.9 25.6 6.4 20.0 32 32 A Q B > -P 260 0B 2 -2,-0.4 3,-1.2 228,-0.2 4,-0.5 -0.497 38.8 -96.5 -75.7 147.3 23.2 8.0 22.5 33 33 A G T 3 S+ 0 0 19 226,-2.2 -1,-0.1 1,-0.2 227,-0.1 0.408 122.3 49.1 -42.3 -5.6 24.7 9.5 25.7 34 34 A Q T > S+ 0 0 80 -2,-0.3 3,-0.5 225,-0.2 -1,-0.2 0.784 106.4 50.2-102.7 -43.1 23.9 6.3 27.7 35 35 A D G X S+ 0 0 14 -3,-1.2 3,-2.4 1,-0.2 4,-0.2 0.254 72.1 117.2 -81.4 10.7 25.3 3.5 25.4 36 36 A M G > + 0 0 18 -4,-0.5 3,-0.8 1,-0.3 -1,-0.2 0.686 67.9 63.5 -54.5 -18.0 28.7 5.3 25.0 37 37 A E G < S+ 0 0 156 -3,-0.5 -1,-0.3 1,-0.2 -2,-0.1 0.331 81.9 81.1 -87.9 5.4 30.4 2.3 26.7 38 38 A Q G < + 0 0 66 -3,-2.4 -18,-0.6 2,-0.1 -1,-0.2 0.554 69.9 106.7 -85.6 -12.7 29.3 0.0 23.8 39 39 A Q B < S-F 19 0A 29 -3,-0.8 2,-0.3 -4,-0.2 -20,-0.2 -0.447 75.7-111.6 -75.5 143.8 32.2 1.2 21.7 40 40 A V - 0 0 4 -22,-1.4 2,-0.5 -31,-0.1 -22,-0.1 -0.554 20.1-143.4 -78.0 127.6 35.2 -1.0 21.1 41 41 A V - 0 0 31 -2,-0.3 22,-2.7 -34,-0.0 2,-0.2 -0.818 22.2-150.6 -91.1 129.3 38.5 -0.1 22.6 42 42 A F E -AH 8 62A 1 -34,-2.9 -34,-1.2 -2,-0.5 2,-0.6 -0.661 15.0-142.7 -98.4 162.8 41.4 -0.9 20.3 43 43 A S E -AH 7 61A 19 18,-2.6 18,-1.1 -2,-0.2 2,-0.9 -0.914 22.1-164.0-124.4 90.9 45.0 -1.9 21.0 44 44 A M E -AH 6 60A 2 -38,-2.7 -38,-1.9 -2,-0.6 2,-0.3 -0.768 7.2-167.0 -83.6 109.9 46.9 -0.1 18.2 45 45 A S E -AH 5 59A 0 14,-2.1 14,-1.8 -2,-0.9 2,-1.0 -0.738 23.2-128.6 -98.1 142.7 50.3 -1.6 18.1 46 46 A F E -AH 4 58A 17 -42,-2.8 -42,-0.6 -2,-0.3 2,-0.2 -0.845 37.6-175.4 -91.4 97.9 53.1 -0.0 16.1 47 47 A V - 0 0 1 -2,-1.0 2,-0.4 10,-0.6 47,-0.2 -0.648 27.8-105.8 -92.1 158.1 54.2 -3.0 14.0 48 48 A Q + 0 0 18 45,-3.2 47,-0.3 -2,-0.2 2,-0.2 -0.730 63.2 117.1 -92.2 131.6 57.2 -2.8 11.7 49 49 A G S S- 0 0 22 -2,-0.4 2,-1.6 8,-0.1 -1,-0.0 -0.640 76.6 -17.5-154.8-138.0 56.6 -2.6 8.0 50 50 A E - 0 0 171 -2,-0.2 2,-1.3 1,-0.1 5,-0.1 -0.558 61.0-160.5 -87.8 83.6 57.4 -0.1 5.3 51 51 A E + 0 0 53 -2,-1.6 5,-0.1 1,-0.2 -1,-0.1 -0.454 20.3 168.0 -68.9 93.3 58.1 3.0 7.4 52 52 A S - 0 0 51 -2,-1.3 2,-2.1 3,-0.2 -1,-0.2 0.256 44.4-126.5 -89.5 6.3 57.6 5.7 4.8 53 53 A N S S+ 0 0 72 2,-0.6 398,-0.3 1,-0.2 395,-0.1 -0.250 108.1 60.0 77.7 -53.5 57.5 8.6 7.3 54 54 A D S S+ 0 0 97 -2,-2.1 2,-0.3 396,-0.1 51,-0.3 0.329 111.9 47.3 -85.2 5.0 54.2 9.9 5.9 55 55 A K - 0 0 51 49,-0.1 -2,-0.6 -5,-0.1 49,-0.2 -0.967 67.8-161.7-141.1 151.9 52.8 6.5 6.9 56 56 A I - 0 0 7 47,-0.3 47,-2.9 -2,-0.3 -5,-0.1 -0.919 22.5-129.6-141.2 108.8 53.1 4.5 10.1 57 57 A P E + I 0 102A 1 0, 0.0 -10,-0.6 0, 0.0 2,-0.3 -0.309 35.3 174.0 -59.4 137.7 52.3 0.8 10.0 58 58 A V E -HI 46 101A 0 43,-2.8 43,-1.9 -12,-0.2 2,-0.4 -0.895 30.9-136.2-142.1 167.9 50.0 -0.5 12.7 59 59 A A E -HI 45 100A 0 -14,-1.8 -14,-2.1 -2,-0.3 2,-0.6 -0.993 19.6-153.0-124.7 131.0 48.0 -3.5 14.0 60 60 A L E +H 44 0A 0 39,-0.6 9,-3.2 9,-0.4 2,-0.4 -0.926 23.8 164.1-113.8 110.2 44.4 -3.0 15.1 61 61 A G E -HJ 43 68A 0 -18,-1.1 -18,-2.6 -2,-0.6 2,-0.3 -0.952 44.5-103.7-128.5 147.0 43.1 -5.4 17.6 62 62 A L E >>> -HJ 42 67A 2 5,-1.8 3,-1.7 -2,-0.4 5,-0.7 -0.549 49.5-109.7 -67.4 122.3 40.1 -5.5 20.0 63 63 A K T 345S- 0 0 74 -22,-2.7 3,-0.3 -2,-0.3 2,-0.1 0.712 92.9 -12.4 -14.9 -97.7 41.5 -4.7 23.5 64 64 A E T 345S+ 0 0 156 1,-0.2 -1,-0.3 -23,-0.1 -22,-0.0 -0.520 117.1 92.7-114.7 54.5 41.4 -7.8 25.7 65 65 A K T <45S- 0 0 88 -3,-1.7 -2,-0.2 2,-0.2 -1,-0.2 0.374 87.5-130.0-125.7 -2.4 39.2 -9.6 23.2 66 66 A N T <5 + 0 0 66 -4,-0.7 19,-0.7 -3,-0.3 2,-0.4 0.932 62.8 128.0 47.4 56.9 42.0 -11.4 21.2 67 67 A L E < -JK 62 84A 11 -5,-0.7 -5,-1.8 17,-0.2 2,-0.4 -0.992 39.5-163.4-139.2 140.8 40.7 -10.3 17.8 68 68 A Y E -JK 61 83A 13 15,-2.6 15,-1.9 -2,-0.4 2,-0.4 -0.991 23.0-122.6-132.9 131.5 42.7 -8.5 15.1 69 69 A L E + K 0 82A 5 -9,-3.2 -9,-0.4 -2,-0.4 2,-0.3 -0.631 43.0 172.0 -70.4 127.7 41.4 -6.7 12.0 70 70 A S E - K 0 81A 0 11,-2.6 11,-1.9 -2,-0.4 2,-0.5 -0.883 28.6-132.5-135.0 161.8 42.9 -8.3 9.0 71 71 A C E + K 0 80A 1 27,-1.0 2,-0.3 -2,-0.3 9,-0.2 -0.984 31.1 165.2-121.1 125.3 42.5 -8.0 5.2 72 72 A V E - K 0 79A 34 7,-2.3 7,-2.6 -2,-0.5 2,-0.6 -0.840 43.2-100.2-132.6 167.4 42.1 -11.1 3.0 73 73 A L E + K 0 78A 93 -2,-0.3 2,-0.5 5,-0.2 -2,-0.0 -0.839 40.4 176.6 -91.7 122.0 41.0 -11.9 -0.5 74 74 A K E > S- K 0 77A 123 3,-2.3 3,-0.8 -2,-0.6 6,-0.0 -0.970 75.5 -10.7-128.4 108.1 37.4 -13.1 -0.3 75 75 A D T 3 S- 0 0 131 -2,-0.5 -1,-0.1 1,-0.2 -2,-0.0 0.838 125.9 -60.4 70.4 35.0 36.0 -13.7 -3.7 76 76 A D T 3 S+ 0 0 147 1,-0.2 -1,-0.2 0, 0.0 -3,-0.1 0.638 118.7 106.7 67.5 18.1 38.9 -12.1 -5.5 77 77 A K E < S-K 74 0A 97 -3,-0.8 -3,-2.3 -5,-0.0 -1,-0.2 -0.983 79.3-110.5-130.0 133.2 38.0 -8.8 -3.7 78 78 A P E +K 73 0A 13 0, 0.0 2,-0.3 0, 0.0 -5,-0.2 -0.454 47.8 178.5 -64.7 129.1 40.0 -7.3 -0.8 79 79 A T E -K 72 0A 30 -7,-2.6 -7,-2.3 -2,-0.2 2,-0.2 -0.993 28.1-125.1-139.6 147.0 37.8 -7.6 2.3 80 80 A L E +K 71 0A 26 -2,-0.3 2,-0.3 -9,-0.2 -9,-0.2 -0.588 35.4 164.0 -85.3 146.1 38.0 -6.7 6.0 81 81 A Q E -K 70 0A 76 -11,-1.9 -11,-2.6 -2,-0.2 2,-0.5 -0.977 34.4-123.9-158.8 155.1 37.5 -9.4 8.6 82 82 A L E +K 69 0A 14 -58,-0.7 2,-0.4 -2,-0.3 -13,-0.2 -0.931 31.9 180.0-104.5 129.0 38.0 -10.0 12.3 83 83 A E E -K 68 0A 41 -15,-1.9 -15,-2.6 -2,-0.5 2,-0.2 -0.989 23.1-128.5-133.6 141.0 40.1 -13.0 13.3 84 84 A S E -K 67 0A 60 -2,-0.4 2,-0.2 -17,-0.2 -17,-0.2 -0.501 28.1-177.3 -82.0 155.6 41.1 -14.4 16.6 85 85 A V - 0 0 27 -19,-0.7 3,-0.0 -2,-0.2 -1,-0.0 -0.766 39.8 -69.5-139.0-178.0 44.7 -15.2 17.3 86 86 A D > - 0 0 88 -2,-0.2 4,-1.7 1,-0.1 -20,-0.0 -0.724 34.6-147.8 -84.4 125.4 46.8 -16.7 20.1 87 87 A P T 4 S+ 0 0 75 0, 0.0 -1,-0.1 0, 0.0 -21,-0.1 0.764 96.1 53.5 -62.1 -27.5 46.9 -14.3 23.1 88 88 A K T 4 S+ 0 0 186 1,-0.2 -2,-0.0 -3,-0.0 0, 0.0 0.899 113.1 40.5 -75.1 -42.5 50.4 -15.5 24.1 89 89 A N T 4 S+ 0 0 91 -3,-0.0 -1,-0.2 3,-0.0 0, 0.0 0.755 104.0 125.0 -76.2 -25.8 52.0 -15.0 20.7 90 90 A Y < + 0 0 31 -4,-1.7 2,-0.1 1,-0.1 3,-0.0 -0.727 49.2 25.6-109.7 152.2 50.1 -11.7 20.2 91 91 A P S S- 0 0 42 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.533 74.8-179.5 -83.3 151.4 50.6 -8.8 19.6 92 92 A K - 0 0 35 1,-0.1 3,-0.2 -2,-0.1 -89,-0.1 -0.765 34.5-138.9-112.4 156.3 53.9 -9.0 17.7 93 93 A K S S+ 0 0 6 -2,-0.3 -45,-3.2 1,-0.2 2,-1.0 0.702 102.7 62.6 -82.9 -20.5 56.0 -6.2 16.2 94 94 A K S S+ 0 0 42 -47,-0.2 2,-0.3 306,-0.0 -1,-0.2 -0.762 82.5 179.5-104.6 83.2 56.5 -8.5 13.2 95 95 A M - 0 0 8 -2,-1.0 5,-0.1 -47,-0.3 -2,-0.0 -0.682 33.8-106.1 -93.6 139.6 53.0 -8.8 12.0 96 96 A E > - 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