==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=11-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER IMMUNE RESPONSE 31-DEC-03 1S0L . COMPND 2 MOLECULE: INTERLEUKIN-1 BETA; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR D.H.ADAMEK,L.GUERRERO,D.L.D.CASPAR . 153 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 8326.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 100 65.4 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 . 59 38.6 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 . 19 12.4 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 . 2 1.3 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 . 5 1 1 2 4 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 1 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 1 A A 0 0 118 0, 0.0 3,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 151.1 -19.6 19.4 -22.8 2 2 A P + 0 0 113 0, 0.0 2,-0.5 0, 0.0 90,-0.1 0.968 360.0 23.2 -48.5 -77.3 -22.9 18.0 -21.3 3 3 A V S S- 0 0 22 88,-0.2 2,-0.4 42,-0.0 44,-0.1 -0.826 85.3-143.0 -95.5 125.6 -21.6 17.5 -17.7 4 4 A R + 0 0 181 -2,-0.5 42,-2.2 42,-0.5 2,-0.3 -0.742 24.7 174.8 -92.2 136.2 -18.7 19.8 -16.9 5 5 A S E -A 45 0A 51 -2,-0.4 2,-0.3 40,-0.2 40,-0.2 -0.798 18.2-159.2-131.6 172.3 -15.9 18.5 -14.6 6 6 A L E -A 44 0A 49 38,-1.4 38,-2.8 -2,-0.3 2,-0.3 -0.972 22.6-122.4-152.6 141.7 -12.6 19.4 -13.2 7 7 A N E +A 43 0A 25 144,-0.3 144,-1.6 -2,-0.3 2,-0.3 -0.695 43.0 145.7 -91.9 141.0 -9.8 17.3 -11.8 8 8 A C E -AB 42 150A 0 34,-2.0 34,-3.4 -2,-0.3 2,-0.3 -0.965 38.8-129.4-160.2 173.2 -8.5 17.8 -8.3 9 9 A T E - B 0 149A 6 140,-2.0 140,-2.3 -2,-0.3 2,-0.4 -0.847 24.5-145.8-125.4 161.9 -7.1 16.4 -5.1 10 10 A L E - B 0 148A 9 30,-0.4 8,-0.6 -2,-0.3 2,-0.4 -0.993 13.7-176.7-136.1 141.9 -8.4 17.0 -1.6 11 11 A R E -CB 17 147A 55 136,-1.6 136,-2.1 -2,-0.4 6,-0.2 -0.983 27.0-119.9-134.1 144.4 -6.8 17.3 1.8 12 12 A D E > - B 0 146A 0 4,-1.7 3,-2.1 -2,-0.4 134,-0.2 -0.266 40.7 -93.8 -77.4 172.1 -8.4 17.8 5.1 13 13 A S T 3 S+ 0 0 36 132,-1.6 133,-0.1 1,-0.3 -1,-0.1 0.593 127.2 60.4 -62.8 -11.0 -7.6 20.9 7.2 14 14 A Q T 3 S- 0 0 91 2,-0.1 -1,-0.3 129,-0.0 -2,-0.1 0.121 120.0-110.7-100.3 16.4 -5.0 18.8 9.0 15 15 A Q < + 0 0 118 -3,-2.1 16,-0.5 1,-0.2 2,-0.3 0.715 66.1 151.2 63.1 25.9 -3.2 18.4 5.7 16 16 A K - 0 0 1 14,-0.2 -4,-1.7 -4,-0.1 14,-0.3 -0.690 36.3-138.0 -89.3 142.2 -4.0 14.7 5.4 17 17 A S E -CD 11 29A 0 12,-2.7 12,-2.1 -2,-0.3 2,-0.4 -0.563 13.0-120.1 -94.2 161.6 -4.3 13.1 2.0 18 18 A L E + D 0 28A 8 -8,-0.6 22,-2.3 10,-0.2 2,-0.3 -0.847 32.6 172.5-105.1 137.7 -6.9 10.6 0.8 19 19 A V E - D 0 27A 13 8,-2.5 8,-3.1 -2,-0.4 2,-0.5 -0.992 38.7-102.6-142.3 147.6 -5.9 7.2 -0.6 20 20 A M E - D 0 26A 65 18,-0.4 6,-0.3 -2,-0.3 8,-0.0 -0.587 32.2-173.8 -72.6 120.7 -7.9 4.1 -1.6 21 21 A S - 0 0 50 4,-2.6 -1,-0.2 -2,-0.5 5,-0.2 0.972 65.5 -14.5 -76.0 -76.2 -7.7 1.5 1.1 22 22 A G S S- 0 0 31 3,-0.1 3,-0.3 0, 0.0 0, 0.0 0.008 99.1 -64.4-105.6-145.9 -9.4 -1.5 -0.4 23 23 A P S S+ 0 0 95 0, 0.0 -3,-0.0 0, 0.0 3,-0.0 0.821 133.4 17.1 -77.1 -31.9 -11.7 -1.8 -3.5 24 24 A Y S S+ 0 0 123 43,-0.0 58,-1.1 2,-0.0 2,-0.3 -0.063 110.7 89.4-131.9 33.6 -14.5 0.4 -2.1 25 25 A E - 0 0 86 -3,-0.3 -4,-2.6 56,-0.1 2,-0.4 -0.987 50.8-157.6-137.8 145.7 -12.8 2.2 0.8 26 26 A L E -D 20 0A 6 -2,-0.3 106,-2.7 -6,-0.3 2,-0.3 -0.925 9.1-170.3-119.2 144.0 -10.9 5.5 1.4 27 27 A K E -DE 19 131A 45 -8,-3.1 -8,-2.5 -2,-0.4 2,-0.4 -0.902 13.1-139.2-129.9 158.6 -8.5 6.4 4.2 28 28 A A E +DE 18 130A 2 102,-2.0 101,-0.9 -2,-0.3 102,-0.8 -0.970 30.7 150.7-122.4 134.1 -6.8 9.6 5.2 29 29 A L E -D 17 0A 26 -12,-2.1 -12,-2.7 -2,-0.4 2,-0.6 -0.990 52.5 -89.7-156.4 156.8 -3.2 10.0 6.3 30 30 A H + 0 0 94 -2,-0.3 2,-0.4 -14,-0.3 -14,-0.2 -0.614 52.4 178.3 -71.2 116.0 -0.3 12.5 6.4 31 31 A L + 0 0 25 -2,-0.6 2,-0.3 -16,-0.5 -13,-0.0 -0.950 5.2 170.3-123.7 142.0 1.5 11.9 3.1 32 32 A Q > - 0 0 167 -2,-0.4 3,-1.0 -15,-0.0 2,-0.3 -0.994 45.0 -3.4-150.6 154.8 4.6 13.7 1.8 33 33 A G G > S- 0 0 45 -2,-0.3 3,-0.7 1,-0.2 4,-0.3 -0.494 125.8 -1.2 72.7-128.0 7.2 13.5 -0.9 34 34 A Q G > S+ 0 0 140 -2,-0.3 3,-1.7 1,-0.2 -1,-0.2 0.879 126.4 65.8 -65.9 -41.1 7.1 10.5 -3.2 35 35 A D G X> S+ 0 0 62 -3,-1.0 3,-3.0 1,-0.3 4,-0.5 0.758 79.6 85.8 -53.3 -26.1 4.1 8.9 -1.4 36 36 A M G X4 S+ 0 0 43 -3,-0.7 3,-1.8 1,-0.3 -1,-0.3 0.860 76.7 66.3 -42.3 -45.9 2.1 11.9 -2.6 37 37 A E G <4 S+ 0 0 152 -3,-1.7 -1,-0.3 -4,-0.3 -2,-0.2 0.685 87.9 68.9 -53.2 -22.2 1.4 10.0 -5.9 38 38 A Q G <4 S+ 0 0 107 -3,-3.0 -18,-0.4 -4,-0.2 -1,-0.3 0.862 77.7 105.6 -66.7 -36.0 -0.6 7.5 -3.9 39 39 A Q S << S- 0 0 32 -3,-1.8 -20,-0.3 -4,-0.5 2,-0.2 -0.000 79.9-101.5 -49.2 148.7 -3.4 10.0 -3.2 40 40 A V - 0 0 12 -22,-2.3 2,-0.5 -30,-0.1 -30,-0.4 -0.513 25.3-146.4 -75.5 136.4 -6.7 9.8 -5.1 41 41 A V - 0 0 42 -2,-0.2 22,-2.8 22,-0.1 2,-0.2 -0.919 21.4-151.8-104.5 123.4 -7.3 12.2 -8.0 42 42 A W E -AF 8 62A 2 -34,-3.4 -34,-2.0 -2,-0.5 2,-0.6 -0.627 18.3-147.6 -99.9 156.3 -11.0 13.2 -8.4 43 43 A S E -AF 7 61A 24 18,-2.7 18,-1.5 -2,-0.2 2,-0.6 -0.966 24.4-158.6-116.4 103.8 -13.2 14.2 -11.2 44 44 A M E -AF 6 60A 0 -38,-2.8 -38,-1.4 -2,-0.6 2,-0.4 -0.799 7.6-161.6 -90.5 124.4 -15.6 16.7 -9.6 45 45 A S E -AF 5 59A 0 14,-2.5 14,-1.9 -2,-0.6 2,-0.9 -0.890 16.0-138.7-110.5 138.4 -18.8 17.1 -11.6 46 46 A F E + F 0 58A 63 -42,-2.2 -42,-0.5 -2,-0.4 12,-0.2 -0.827 37.2 175.8 -95.8 104.7 -21.2 19.9 -11.4 47 47 A V - 0 0 7 -2,-0.9 47,-0.2 10,-0.8 46,-0.1 -0.416 33.4 -75.9-103.5 178.2 -24.7 18.3 -11.5 48 48 A Q S S+ 0 0 92 45,-2.8 2,-0.3 -2,-0.1 47,-0.2 -0.419 71.4 98.2 -75.7 150.3 -28.3 19.4 -11.3 49 49 A G S S- 0 0 47 -2,-0.1 2,-0.6 45,-0.1 45,-0.0 -0.897 79.9 -34.9 156.2 177.3 -29.8 20.2 -7.9 50 50 A E - 0 0 129 -2,-0.3 2,-0.3 6,-0.1 -2,-0.0 -0.506 67.7-166.7 -65.5 109.7 -30.8 23.1 -5.6 51 51 A E + 0 0 125 -2,-0.6 2,-0.2 5,-0.1 5,-0.2 -0.788 14.2 174.2-107.1 147.6 -27.9 25.6 -6.2 52 52 A S - 0 0 46 3,-2.5 0, 0.0 -2,-0.3 0, 0.0 -0.741 48.2 -95.9-134.3-179.4 -26.9 28.7 -4.3 53 53 A N S S+ 0 0 147 -2,-0.2 3,-0.1 1,-0.2 -2,-0.0 0.571 127.1 21.6 -79.3 -8.3 -24.1 31.2 -4.3 54 54 A D S S+ 0 0 77 1,-0.2 51,-1.1 50,-0.0 2,-0.4 0.301 117.9 67.6-136.9 1.2 -22.2 29.3 -1.6 55 55 A K E + G 0 104A 54 49,-0.2 -3,-2.5 2,-0.0 49,-0.2 -0.887 58.5 174.4-131.2 100.7 -23.8 25.8 -2.0 56 56 A I E - G 0 103A 33 47,-2.3 47,-3.7 -2,-0.4 2,-0.3 -0.914 27.4-131.1-110.3 125.4 -23.0 24.0 -5.3 57 57 A P E + G 0 102A 1 0, 0.0 -10,-0.8 0, 0.0 2,-0.3 -0.576 37.0 167.2 -76.5 133.4 -24.2 20.4 -5.9 58 58 A V E -FG 46 101A 0 43,-3.3 43,-2.8 -2,-0.3 2,-0.4 -0.917 30.7-137.6-140.2 166.9 -21.4 18.1 -7.1 59 59 A A E -FG 45 100A 0 -14,-1.9 -14,-2.5 -2,-0.3 2,-0.5 -0.940 18.6-147.5-123.6 146.0 -20.6 14.4 -7.7 60 60 A L E +F 44 0A 2 39,-0.5 9,-2.7 -2,-0.4 2,-0.3 -0.962 26.7 155.8-123.6 117.1 -17.3 12.9 -6.8 61 61 A G E -FH 43 68A 1 -18,-1.5 -18,-2.7 -2,-0.5 7,-0.2 -0.867 46.4 -96.1-130.8 164.5 -15.7 10.1 -8.7 62 62 A L E > -F 42 0A 13 5,-2.1 3,-1.0 3,-0.3 5,-0.3 -0.603 50.7 -98.4 -79.9 144.8 -12.2 8.9 -9.2 63 63 A K T 3 S- 0 0 60 -22,-2.8 -22,-0.1 1,-0.2 -1,-0.1 -0.447 103.0 -3.6 -65.7 129.2 -10.5 10.1 -12.4 64 64 A E T 3 S+ 0 0 181 -2,-0.2 2,-0.4 1,-0.2 -1,-0.2 0.332 114.8 99.0 73.9 -9.6 -10.7 7.5 -15.2 65 65 A K S < S- 0 0 111 -3,-1.0 2,-2.2 2,-0.2 -3,-0.3 -0.918 77.7-127.8-112.7 137.7 -12.3 4.9 -12.9 66 66 A N S S+ 0 0 69 -2,-0.4 19,-1.3 -5,-0.1 2,-0.4 -0.424 71.4 115.8 -80.9 65.9 -16.0 4.2 -12.8 67 67 A L E - I 0 84A 19 -2,-2.2 -5,-2.1 -5,-0.3 2,-0.3 -0.995 39.2-179.7-138.2 127.0 -16.2 4.7 -9.0 68 68 A Y E -HI 61 83A 15 15,-2.3 15,-3.1 -2,-0.4 2,-0.3 -0.931 34.2-106.3-128.4 151.1 -18.2 7.4 -7.2 69 69 A L E - I 0 82A 4 -9,-2.7 2,-0.3 -2,-0.3 -9,-0.3 -0.586 43.6-171.7 -74.6 138.2 -18.7 8.3 -3.6 70 70 A S E - I 0 81A 0 11,-3.3 11,-2.5 -2,-0.3 2,-0.5 -0.971 19.9-144.2-135.1 146.2 -22.2 7.3 -2.5 71 71 A C E + I 0 80A 0 27,-1.9 2,-0.3 -2,-0.3 9,-0.2 -0.959 36.0 150.0-113.7 119.8 -24.3 8.0 0.6 72 72 A V E - I 0 79A 35 7,-2.7 7,-3.3 -2,-0.5 2,-0.5 -0.920 49.6 -95.8-143.1 167.3 -26.6 5.1 1.7 73 73 A L E + I 0 78A 116 -2,-0.3 2,-0.4 5,-0.2 3,-0.0 -0.761 39.2 177.1 -87.2 126.1 -28.1 3.6 4.8 74 74 A K S S- 0 0 116 3,-2.1 -2,-0.0 -2,-0.5 -1,-0.0 -0.892 73.8 -13.6-135.1 103.1 -26.1 0.6 6.1 75 75 A D S S- 0 0 150 -2,-0.4 -1,-0.1 1,-0.2 -2,-0.0 0.939 131.2 -50.9 70.5 48.3 -27.3 -1.0 9.3 76 76 A D S S+ 0 0 156 1,-0.1 -1,-0.2 -3,-0.0 -3,-0.1 0.778 119.1 100.8 61.5 32.7 -29.7 1.9 10.1 77 77 A K S S- 0 0 115 -5,-0.0 -3,-2.1 2,-0.0 -1,-0.1 -0.969 80.3-104.4-151.1 132.0 -27.1 4.7 9.6 78 78 A P E -I 73 0A 20 0, 0.0 2,-0.4 0, 0.0 -5,-0.2 -0.270 50.3-171.7 -51.5 129.6 -26.1 7.1 6.9 79 79 A T E -I 72 0A 21 -7,-3.3 -7,-2.7 54,-0.1 2,-0.4 -0.981 24.4-136.2-137.0 145.1 -22.9 5.7 5.3 80 80 A L E +I 71 0A 23 -2,-0.4 2,-0.3 -9,-0.2 -9,-0.2 -0.795 34.7 161.3 -95.8 133.8 -20.3 6.7 2.8 81 81 A Q E -I 70 0A 65 -11,-2.5 -11,-3.3 -2,-0.4 2,-0.5 -0.983 42.2-115.6-149.1 158.8 -19.2 4.2 0.3 82 82 A L E -I 69 0A 8 -58,-1.1 2,-0.4 -2,-0.3 -13,-0.2 -0.862 40.3-163.2 -93.7 128.9 -17.4 3.9 -3.1 83 83 A E E -I 68 0A 37 -15,-3.1 -15,-2.3 -2,-0.5 2,-0.3 -0.942 15.8-129.6-122.6 140.3 -19.9 2.6 -5.6 84 84 A S E -I 67 0A 57 -2,-0.4 2,-0.3 -17,-0.2 -17,-0.2 -0.642 29.2-175.2 -83.8 136.6 -19.4 1.0 -9.1 85 85 A V - 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0 0 58 -2,-0.2 3,-1.7 1,-0.1 4,-0.4 -0.318 41.6-109.4 -61.1 150.4 -29.1 10.0 -8.5 97 97 A K G > S+ 0 0 117 1,-0.3 3,-1.1 2,-0.2 19,-0.5 0.750 113.6 64.9 -54.6 -32.1 -29.4 11.8 -5.1 98 98 A R G 3 S+ 0 0 71 1,-0.2 -27,-1.9 17,-0.1 -1,-0.3 0.746 101.8 50.2 -67.5 -21.5 -27.1 9.4 -3.2 99 99 A F G < S+ 0 0 0 -3,-1.7 -39,-0.5 -29,-0.2 2,-0.4 0.515 93.2 100.7 -90.0 -9.7 -24.2 10.5 -5.4 100 100 A V E < +G 59 0A 11 -3,-1.1 15,-2.5 -4,-0.4 16,-0.6 -0.659 45.2 177.4 -89.9 131.9 -24.9 14.2 -4.8 101 101 A F E -GJ 58 114A 0 -43,-2.8 -43,-3.3 -2,-0.4 2,-0.8 -0.961 29.0-127.6-126.6 145.8 -23.0 16.4 -2.3 102 102 A N E -GJ 57 113A 21 11,-3.5 11,-2.2 -2,-0.4 2,-0.6 -0.845 22.5-145.0 -95.0 112.0 -23.4 20.1 -1.6 103 103 A K E -GJ 56 112A 16 -47,-3.7 -47,-2.3 -2,-0.8 2,-0.4 -0.694 22.2-169.0 -79.0 120.9 -20.0 21.7 -1.9 104 104 A I E -GJ 55 111A 15 7,-3.1 7,-2.0 -2,-0.6 2,-0.5 -0.919 13.0-155.8-116.7 138.8 -19.9 24.5 0.7 105 105 A E E + J 0 110A 108 -51,-1.1 5,-0.2 -2,-0.4 -2,-0.0 -0.953 26.2 151.3-117.8 116.8 -17.3 27.3 1.1 106 106 A I S S- 0 0 87 3,-1.2 -1,-0.1 -2,-0.5 4,-0.1 0.557 72.6 -6.6-105.0-105.7 -16.9 28.9 4.5 107 107 A N S S- 0 0 130 1,-0.1 -2,-0.0 3,-0.0 3,-0.0 0.958 122.8 -57.5 -55.1 -88.8 -13.5 30.4 5.5 108 108 A N S S+ 0 0 101 38,-0.1 2,-0.1 2,-0.1 -1,-0.1 0.162 117.8 94.2-139.4 3.0 -11.3 29.3 2.6 109 109 A K - 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