==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=23-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER CYTOKINE 22-JAN-91 7I1B . COMPND 2 MOLECULE: INTERLEUKIN-1 BETA; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR G.M.CLORE,A.M.GRONENBORN . 153 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 8959.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 101 66.0 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 . 58 37.9 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 . 1 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 2.6 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 . 27 17.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 11 7.2 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 2 3 1 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 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 0 100 0, 0.0 2,-1.6 0, 0.0 91,-0.1 0.000 360.0 360.0 360.0 73.3 40.3 -21.8 4.3 2 2 A P + 0 0 114 0, 0.0 2,-0.2 0, 0.0 90,-0.1 -0.046 360.0 74.0 -72.4 38.4 37.0 -23.5 3.7 3 3 A V S S- 0 0 31 -2,-1.6 2,-0.5 88,-0.1 44,-0.1 -0.632 85.8-101.9-134.6-167.8 35.7 -21.7 6.8 4 4 A R - 0 0 185 42,-0.4 42,-1.3 -2,-0.2 2,-0.1 -0.959 29.3-156.1-129.0 115.7 34.5 -18.3 7.9 5 5 A S E -A 45 0A 54 -2,-0.5 2,-0.4 40,-0.2 40,-0.3 -0.403 3.3-151.7 -85.0 166.7 36.8 -16.0 10.0 6 6 A L E -A 44 0A 29 38,-2.2 38,-2.7 -2,-0.1 2,-0.4 -0.886 6.0-146.5-143.8 108.7 35.6 -13.2 12.3 7 7 A N E +A 43 0A 42 -2,-0.4 144,-1.6 36,-0.3 2,-0.3 -0.588 41.2 142.3 -74.0 128.8 37.7 -10.1 13.1 8 8 A C E -AB 42 150A 0 34,-2.2 34,-1.5 -2,-0.4 142,-0.2 -0.962 40.9-132.0-166.9 147.4 36.9 -9.0 16.6 9 9 A T E - B 0 149A 28 140,-1.8 140,-1.6 -2,-0.3 2,-0.4 -0.401 22.3-129.7 -95.1 177.3 38.5 -7.6 19.7 10 10 A L E + B 0 148A 14 30,-0.3 8,-0.8 138,-0.2 2,-0.4 -0.993 21.7 178.6-135.5 133.3 38.2 -8.8 23.3 11 11 A R E -CB 17 147A 73 136,-2.7 136,-1.9 -2,-0.4 6,-0.2 -0.975 25.6-122.3-131.6 144.3 37.4 -6.9 26.5 12 12 A D > - 0 0 0 4,-2.3 3,-1.3 -2,-0.4 4,-0.3 -0.220 34.4-101.9 -77.5 174.9 37.0 -8.1 30.1 13 13 A S T 3 S+ 0 0 45 132,-0.5 -1,-0.1 1,-0.2 133,-0.1 0.585 121.0 59.7 -74.4 -7.3 33.8 -7.6 32.2 14 14 A Q T 3 S- 0 0 77 2,-0.1 -1,-0.2 129,-0.0 132,-0.0 0.393 124.4 -97.6-100.1 2.6 35.5 -4.7 34.0 15 15 A Q S < S+ 0 0 139 -3,-1.3 16,-0.4 1,-0.2 2,-0.3 0.954 77.1 134.4 82.5 57.4 36.0 -2.7 30.8 16 16 A K - 0 0 1 -4,-0.3 -4,-2.3 14,-0.2 -1,-0.2 -0.989 40.9-142.9-136.6 147.5 39.7 -3.5 29.9 17 17 A S E -CD 11 29A 20 12,-1.6 12,-1.7 -2,-0.3 2,-0.4 -0.594 19.3-112.9-106.9 168.6 41.3 -4.5 26.6 18 18 A L E - D 0 28A 14 -8,-0.8 22,-1.9 10,-0.2 2,-0.3 -0.826 31.6-173.8-102.9 139.4 44.1 -6.9 25.8 19 19 A V E - D 0 27A 16 8,-2.7 8,-2.8 -2,-0.4 2,-1.5 -0.977 30.7-120.0-133.7 146.5 47.5 -5.7 24.5 20 20 A M E + 0 0 97 -2,-0.3 6,-0.2 6,-0.2 8,-0.0 -0.628 36.1 167.2 -85.4 87.9 50.5 -7.5 23.2 21 21 A S E S+ 0 0 79 -2,-1.5 -1,-0.2 4,-0.3 5,-0.2 0.660 70.4 10.1 -74.9 -13.3 53.2 -6.4 25.6 22 22 A G E > S- D 0 25A 21 3,-1.9 3,-0.5 -3,-0.2 5,-0.1 -0.916 88.5 -89.9-152.5 177.5 55.5 -9.1 24.3 23 23 A P T 3 S+ 0 0 96 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.987 125.2 9.9 -57.8 -64.4 55.9 -11.7 21.5 24 24 A Y T 3 S+ 0 0 132 -3,-0.1 58,-0.4 2,-0.0 2,-0.4 -0.110 119.3 87.8-108.3 34.4 54.2 -14.5 23.3 25 25 A E E < -D 22 0A 110 -3,-0.5 -3,-1.9 56,-0.1 -4,-0.3 -0.984 51.2-174.1-138.3 127.5 52.8 -12.4 26.1 26 26 A L E - 0 0 19 -2,-0.4 106,-1.5 -6,-0.2 2,-0.4 -0.842 7.4-157.6-116.1 155.2 49.5 -10.5 26.3 27 27 A K E -DE 19 131A 32 -8,-2.8 -8,-2.7 -2,-0.3 2,-0.6 -0.996 7.1-148.4-136.2 139.8 48.3 -8.1 29.1 28 28 A A E +DE 18 130A 2 102,-1.7 102,-0.7 -2,-0.4 101,-0.3 -0.915 39.4 131.9-109.6 117.7 44.8 -7.0 30.1 29 29 A L E -D 17 0A 38 -12,-1.7 -12,-1.6 -2,-0.6 2,-0.2 -0.908 60.5 -62.0-151.3 177.8 44.5 -3.5 31.5 30 30 A H - 0 0 98 -2,-0.3 2,-0.4 -14,-0.2 -14,-0.2 -0.473 50.5-177.1 -69.1 134.1 42.5 -0.2 31.3 31 31 A L + 0 0 33 -16,-0.4 2,-0.3 -2,-0.2 5,-0.1 -0.981 14.7 140.9-137.3 124.5 42.9 1.4 27.9 32 32 A Q > + 0 0 154 -2,-0.4 3,-0.6 -16,-0.0 -2,-0.0 -0.990 38.6 33.3-157.0 160.1 41.3 4.8 26.9 33 33 A G G > S- 0 0 28 -2,-0.3 3,-2.8 1,-0.2 4,-0.2 -0.164 115.7 -35.6 81.7 178.4 42.1 7.9 24.8 34 34 A Q G > S+ 0 0 171 1,-0.3 3,-1.4 2,-0.1 -1,-0.2 0.697 127.5 82.1 -47.6 -14.7 44.2 8.1 21.7 35 35 A D G X + 0 0 63 -3,-0.6 3,-1.7 1,-0.3 -1,-0.3 0.515 63.4 91.1 -71.3 -0.6 46.1 5.3 23.4 36 36 A M G X + 0 0 100 -3,-2.8 3,-1.5 1,-0.3 -1,-0.3 0.818 64.1 79.8 -64.5 -27.6 43.5 2.9 22.2 37 37 A E G < S+ 0 0 150 -3,-1.4 -1,-0.3 1,-0.3 -2,-0.1 0.682 79.1 72.6 -53.9 -13.4 45.7 2.3 19.1 38 38 A Q G < S+ 0 0 92 -3,-1.7 2,-0.4 -4,-0.1 -1,-0.3 0.080 75.0 113.8 -90.2 26.3 47.6 0.0 21.4 39 39 A Q < - 0 0 84 -3,-1.5 -20,-0.2 -20,-0.1 2,-0.1 -0.816 61.0-137.0-100.3 135.8 44.8 -2.5 21.3 40 40 A V - 0 0 19 -22,-1.9 2,-0.4 -2,-0.4 -30,-0.3 -0.366 11.5-143.6 -84.2 168.4 45.3 -5.9 19.7 41 41 A V - 0 0 40 -32,-0.1 22,-1.5 -2,-0.1 23,-0.3 -0.989 10.3-160.2-137.4 128.0 42.8 -7.6 17.3 42 42 A F E -AF 8 62A 3 -34,-1.5 -34,-2.2 -2,-0.4 2,-0.4 -0.483 14.2-134.7-100.3 174.0 42.0 -11.3 17.1 43 43 A S E -AF 7 61A 18 18,-0.7 18,-1.4 -36,-0.2 -36,-0.3 -0.832 18.3-158.2-131.9 94.5 40.4 -13.3 14.3 44 44 A M E -AF 6 60A 0 -38,-2.7 -38,-2.2 -2,-0.4 2,-0.4 -0.497 9.4-169.3 -73.3 139.5 37.7 -15.8 15.6 45 45 A S E -AF 5 59A 4 14,-0.8 14,-0.7 -40,-0.3 2,-0.7 -0.985 22.9-128.1-134.1 124.8 37.0 -18.7 13.2 46 46 A F E + F 0 58A 80 -42,-1.3 -42,-0.4 -2,-0.4 12,-0.2 -0.585 42.4 169.6 -72.6 113.8 34.1 -21.1 13.6 47 47 A V - 0 0 16 10,-1.5 2,-0.3 -2,-0.7 47,-0.2 -0.452 37.4 -80.5-113.6-172.5 35.6 -24.6 13.5 48 48 A Q + 0 0 104 45,-2.5 47,-0.4 -2,-0.2 2,-0.3 -0.688 67.4 110.3 -92.8 146.0 34.4 -28.2 14.1 49 49 A G S S- 0 0 32 -2,-0.3 2,-2.5 45,-0.1 6,-0.0 -0.969 75.0 -16.6 177.4-166.2 34.2 -29.5 17.7 50 50 A E - 0 0 127 -2,-0.3 2,-1.7 1,-0.1 5,-0.1 -0.306 64.0-159.9 -58.9 80.7 31.8 -30.6 20.5 51 51 A E + 0 0 159 -2,-2.5 5,-0.1 5,-0.1 -1,-0.1 -0.462 27.2 160.3 -67.8 90.4 28.8 -28.9 18.9 52 52 A S - 0 0 75 -2,-1.7 -3,-0.0 3,-0.7 -1,-0.0 0.077 55.7 -86.7 -92.6-151.9 26.7 -28.7 22.0 53 53 A N S S+ 0 0 147 1,-0.1 -2,-0.0 3,-0.0 -1,-0.0 0.837 122.7 10.0 -90.2 -36.5 23.7 -26.4 22.7 54 54 A D S S+ 0 0 74 50,-0.0 2,-0.5 48,-0.0 51,-0.3 0.432 107.0 98.7-119.9 -5.6 25.6 -23.4 24.0 55 55 A K - 0 0 65 49,-0.1 -3,-0.7 -5,-0.1 49,-0.2 -0.745 45.7-178.7 -89.5 124.9 29.2 -24.5 23.2 56 56 A I E - G 0 103A 61 47,-1.0 47,-1.8 -2,-0.5 2,-0.1 -0.807 16.9-149.6-124.0 90.0 30.6 -22.9 20.0 57 57 A P E + G 0 102A 9 0, 0.0 -10,-1.5 0, 0.0 45,-0.2 -0.377 32.6 154.7 -61.6 126.4 34.1 -24.2 19.3 58 58 A V E -FG 46 101A 0 43,-1.5 43,-1.5 -12,-0.2 2,-0.4 -0.649 39.0-113.3-136.3-166.4 36.2 -21.5 17.4 59 59 A A E -F 45 0A 1 -14,-0.7 2,-0.9 -2,-0.2 -14,-0.8 -0.950 13.3-153.1-142.7 119.7 39.8 -20.4 16.9 60 60 A L E +F 44 0A 2 39,-0.4 9,-1.7 -2,-0.4 2,-0.4 -0.800 27.2 163.8 -95.7 106.4 41.4 -17.2 18.1 61 61 A G E -FH 43 68A 2 -18,-1.4 -18,-0.7 -2,-0.9 7,-0.2 -0.981 44.5-107.6-125.5 128.6 44.2 -16.2 15.8 62 62 A L E -F 42 0A 15 5,-2.2 -20,-0.2 -2,-0.4 5,-0.1 -0.252 26.9-141.0 -51.4 128.5 45.9 -12.8 15.7 63 63 A K S S+ 0 0 95 -22,-1.5 -1,-0.1 1,-0.1 -21,-0.1 0.990 97.2 34.9 -57.4 -64.4 44.7 -11.2 12.4 64 64 A E S S+ 0 0 175 -23,-0.3 -1,-0.1 2,-0.0 -2,-0.1 0.962 124.6 40.9 -57.3 -55.4 48.1 -9.5 11.6 65 65 A K S S- 0 0 113 2,-0.1 -4,-0.0 1,-0.1 19,-0.0 -0.274 82.7-122.7 -87.9 178.0 50.3 -12.2 13.0 66 66 A N + 0 0 53 19,-0.1 19,-1.7 -2,-0.1 2,-0.5 -0.135 63.7 131.1-112.6 36.1 49.9 -16.0 12.7 67 67 A L E - I 0 84A 13 17,-0.2 -5,-2.2 -5,-0.1 2,-0.5 -0.776 38.2-163.9 -92.5 130.6 49.9 -16.7 16.5 68 68 A Y E -HI 61 83A 22 15,-1.8 15,-1.7 -2,-0.5 -7,-0.2 -0.954 23.5-117.4-117.7 124.9 47.0 -18.9 17.7 69 69 A L E - I 0 82A 11 -9,-1.7 2,-0.3 -2,-0.5 13,-0.2 -0.217 39.4-175.9 -54.1 146.8 46.2 -19.1 21.4 70 70 A S E - I 0 81A 0 11,-2.1 11,-1.5 29,-0.1 2,-0.7 -0.989 26.8-131.6-151.7 139.9 46.7 -22.7 22.8 71 71 A C E + I 0 80A 0 27,-0.7 2,-0.3 -2,-0.3 9,-0.2 -0.815 36.8 167.7 -94.4 115.7 46.1 -24.4 26.1 72 72 A V E - I 0 79A 30 7,-1.5 7,-1.4 -2,-0.7 2,-0.4 -0.919 35.5-113.3-127.2 153.2 49.1 -26.4 27.2 73 73 A L E - I 0 78A 86 -2,-0.3 2,-0.6 5,-0.2 3,-0.1 -0.704 19.2-164.8 -87.8 132.9 50.1 -28.1 30.4 74 74 A K S S- 0 0 97 3,-2.8 -1,-0.0 -2,-0.4 -2,-0.0 -0.729 84.2 -24.4-115.7 79.8 53.0 -26.7 32.3 75 75 A D S S- 0 0 137 -2,-0.6 -1,-0.2 1,-0.2 -2,-0.0 0.910 127.4 -47.4 82.0 48.6 53.9 -29.4 34.8 76 76 A D S S+ 0 0 143 1,-0.2 -1,-0.2 -3,-0.1 -3,-0.0 0.608 120.1 116.6 68.1 9.6 50.4 -31.0 34.9 77 77 A K - 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0 0 73 -2,-0.2 -2,-0.1 1,-0.1 -3,-0.0 -0.960 57.8 -87.5-165.7 179.7 41.0 -24.7 8.8 93 93 A K S S+ 0 0 101 -2,-0.3 -45,-2.5 -46,-0.1 2,-0.3 0.961 111.2 42.6 -66.9 -50.6 37.8 -26.6 9.5 94 94 A K S S- 0 0 148 -47,-0.2 2,-0.3 -3,-0.1 -45,-0.1 -0.706 70.9-179.6 -98.2 150.6 39.3 -28.9 12.1 95 95 A M - 0 0 15 -47,-0.4 2,-0.1 -2,-0.3 5,-0.1 -0.969 34.1 -94.0-144.3 157.9 41.7 -27.7 14.9 96 96 A E >> - 0 0 72 -2,-0.3 3,-1.1 1,-0.1 4,-1.1 -0.458 41.6-110.4 -72.4 146.1 43.6 -29.3 17.8 97 97 A K T 34 S+ 0 0 117 1,-0.3 19,-0.6 2,-0.2 3,-0.3 0.808 119.1 64.3 -46.0 -28.2 41.8 -29.1 21.1 98 98 A R T 34 S+ 0 0 92 1,-0.2 -27,-0.7 17,-0.2 -1,-0.3 0.949 107.8 36.2 -63.7 -48.7 44.6 -26.6 22.0 99 99 A F T <4 S+ 0 0 11 -3,-1.1 2,-0.6 -29,-0.2 -39,-0.4 0.479 102.0 94.7 -84.0 0.5 43.5 -24.1 19.4 100 100 A V < - 0 0 5 -4,-1.1 15,-1.7 -3,-0.3 2,-0.5 -0.822 52.4-177.7 -97.8 120.9 39.8 -24.9 20.0 101 101 A F E -GJ 58 114A 0 -43,-1.5 -43,-1.5 -2,-0.6 2,-1.1 -0.959 24.9-135.0-119.6 119.2 38.0 -22.7 22.6 102 102 A N E -GJ 57 113A 2 11,-2.1 11,-1.5 -2,-0.5 2,-0.8 -0.570 20.4-149.4 -73.4 102.3 34.3 -23.5 23.4 103 103 A K E -GJ 56 112A 20 -47,-1.8 -47,-1.0 -2,-1.1 2,-0.3 -0.624 21.5-176.4 -76.3 110.0 32.7 -20.1 23.3 104 104 A I E - 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