==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER COMPLEX (CYTOKINE RECEPTOR/ANTAGONIST) 09-APR-98 1IRA . COMPND 2 MOLECULE: INTERLEUKIN-1 RECEPTOR ANTAGONIST; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR H.A.SCHREUDER,C.TARDIF,S.TRAMP-KALMEYER,A.SOFFIENTINI,E.SARU . 456 2 6 6 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 22497.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 308 67.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 20 4.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 161 35.3 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 3 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 3 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 13 2.9 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 . 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 . 60 13.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 53 11.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 3 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 1 0.2 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 1 0 2 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 PARALLEL BRIDGES PER LADDER . 8 5 5 4 3 3 1 1 2 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 . 0 2 2 1 2 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 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 7 X S 0 0 55 0, 0.0 3,-0.1 0, 0.0 44,-0.1 0.000 360.0 360.0 360.0 -75.8 38.6 43.2 49.6 2 8 X S - 0 0 55 1,-0.4 2,-0.3 42,-0.3 380,-0.1 0.842 360.0 -26.2 -95.9 -77.6 42.4 43.4 50.3 3 9 X K - 0 0 117 378,-0.5 -1,-0.4 41,-0.1 2,-0.3 -0.844 55.1-131.8-136.7 170.1 43.9 39.9 49.9 4 10 X M - 0 0 36 -2,-0.3 2,-0.4 39,-0.1 39,-0.2 -0.821 11.0-152.1-122.4 162.2 42.8 36.3 50.2 5 11 X Q E -A 42 0A 26 37,-2.0 37,-2.6 -2,-0.3 2,-0.3 -0.999 19.1-119.8-139.6 137.9 44.2 33.2 52.0 6 12 X A E -A 41 0A 34 -2,-0.4 139,-2.2 35,-0.2 2,-0.3 -0.604 30.8-172.0 -79.0 134.9 44.0 29.5 51.2 7 13 X F E -AB 40 144A 1 33,-2.6 33,-2.7 -2,-0.3 2,-0.4 -0.868 19.1-132.4-124.8 156.1 42.4 27.2 53.8 8 14 X R E - B 0 143A 67 135,-3.1 135,-1.8 -2,-0.3 2,-0.4 -0.848 27.7-171.0-106.0 143.1 42.1 23.5 54.1 9 15 X I + 0 0 2 -2,-0.4 8,-0.5 29,-0.4 2,-0.3 -0.997 19.3 150.2-142.1 143.8 38.7 22.1 55.0 10 16 X W B -L 16 0B 0 131,-0.4 131,-2.2 -2,-0.4 6,-0.2 -0.874 39.0-116.3-166.2 134.8 37.2 18.7 55.9 11 17 X D B > -C 140 0A 0 4,-1.4 3,-1.6 -2,-0.3 129,-0.3 -0.113 40.4 -92.0 -69.9 177.3 34.2 17.8 58.1 12 18 X V T 3 S+ 0 0 25 127,-1.7 253,-0.2 1,-0.3 128,-0.1 0.689 126.4 60.8 -62.9 -19.2 34.3 15.9 61.4 13 19 X N T 3 S- 0 0 18 2,-0.1 -1,-0.3 253,-0.0 -2,-0.1 0.056 118.3-111.6 -95.4 20.4 33.8 12.7 59.4 14 20 X Q < + 0 0 6 -3,-1.6 2,-0.2 1,-0.2 -2,-0.1 0.506 67.2 147.4 63.2 9.1 37.0 13.3 57.5 15 21 X K - 0 0 1 13,-0.1 -4,-1.4 11,-0.1 2,-0.2 -0.492 30.7-157.1 -73.5 144.4 35.3 14.0 54.1 16 22 X T E -LM 10 27B 13 11,-2.8 11,-2.0 -6,-0.2 2,-0.4 -0.678 17.0-104.8-116.4 171.2 37.0 16.5 51.9 17 23 X F E + M 0 26B 1 -8,-0.5 21,-2.7 21,-0.4 2,-0.3 -0.792 43.4 150.7-102.2 142.8 35.8 18.7 49.0 18 24 X Y E - M 0 25B 1 7,-2.1 7,-2.9 -2,-0.4 2,-0.4 -0.960 43.5 -93.8-159.2 162.8 36.3 18.1 45.3 19 25 X L E + M 0 24B 14 17,-0.4 2,-0.5 -2,-0.3 5,-0.2 -0.734 29.7 179.2 -93.0 130.3 34.5 18.8 42.0 20 26 X R E > S- M 0 23B 7 3,-2.8 3,-0.6 -2,-0.4 134,-0.1 -0.971 82.7 -19.1-127.9 109.3 32.1 16.4 40.3 21 27 X N T 3 S- 0 0 98 -2,-0.5 -1,-0.1 1,-0.3 3,-0.1 0.924 126.7 -56.0 57.8 47.1 30.6 17.7 37.1 22 28 X N T 3 S+ 0 0 107 1,-0.2 2,-0.4 -3,-0.0 -1,-0.3 0.799 117.3 116.5 54.8 33.3 31.5 21.3 38.2 23 29 X Q E < S-M 20 0B 69 -3,-0.6 -3,-2.8 50,-0.1 2,-0.3 -0.998 70.7-119.5-132.9 123.6 29.5 20.7 41.4 24 30 X L E +M 19 0B 9 -2,-0.4 101,-2.2 -5,-0.2 2,-0.3 -0.489 41.5 172.4 -65.5 124.9 31.2 20.7 44.8 25 31 X V E -MN 18 124B 0 -7,-2.9 -7,-2.1 99,-0.3 2,-0.4 -0.907 27.0-128.9-132.4 161.7 30.9 17.3 46.6 26 32 X A E +MN 17 123B 2 97,-3.1 97,-1.2 -2,-0.3 96,-1.0 -0.939 44.7 123.0-115.5 134.2 32.3 15.7 49.7 27 33 X G E -M 16 0B 0 -11,-2.0 -11,-2.8 -2,-0.4 2,-0.5 -0.908 59.1 -72.4-165.0-169.7 33.9 12.3 49.8 28 34 X Y - 0 0 17 -2,-0.3 2,-0.4 -13,-0.2 -13,-0.1 -0.907 40.6-157.7-107.0 126.1 37.0 10.3 50.7 29 35 X L - 0 0 15 -2,-0.5 226,-0.9 226,-0.2 2,-0.2 -0.874 5.0-149.1-107.4 136.3 40.0 10.7 48.4 30 36 X Q B >> -O 254 0C 5 -2,-0.4 4,-1.0 224,-0.2 3,-1.0 -0.600 41.3 -76.2 -98.7 164.9 42.8 8.1 48.1 31 37 X G G >4 S+ 0 0 26 222,-1.9 3,-1.1 219,-0.3 4,-0.2 0.685 128.3 39.2 -21.3 -67.2 46.5 8.5 47.4 32 38 X P G >4 S+ 0 0 74 0, 0.0 3,-0.8 0, 0.0 -1,-0.3 0.893 118.2 48.1 -60.4 -41.8 46.3 9.2 43.6 33 39 X N G X4 S+ 0 0 8 -3,-1.0 3,-2.5 124,-0.2 -2,-0.2 0.485 81.1 100.8 -79.9 -0.9 43.1 11.3 43.8 34 40 X V G X< S+ 0 0 51 -3,-1.1 3,-1.3 -4,-1.0 -1,-0.2 0.777 71.9 65.5 -55.8 -27.2 44.6 13.4 46.7 35 41 X N G < S+ 0 0 147 -3,-0.8 -1,-0.3 1,-0.3 -2,-0.1 0.617 87.6 70.2 -71.2 -13.5 45.4 16.1 44.2 36 42 X L G < + 0 0 42 -3,-2.5 -17,-0.4 2,-0.1 -1,-0.3 0.425 69.9 120.7 -84.1 0.6 41.7 16.7 43.5 37 43 X E < - 0 0 29 -3,-1.3 2,-0.5 -4,-0.2 -19,-0.2 -0.465 58.5-138.8 -68.3 133.2 41.2 18.2 47.0 38 44 X E - 0 0 27 -21,-2.7 -21,-0.4 -2,-0.2 -29,-0.4 -0.807 10.5-151.3 -96.8 129.3 39.8 21.7 46.8 39 45 X K - 0 0 74 -2,-0.5 2,-0.6 -31,-0.1 16,-0.4 -0.678 20.1-119.2 -93.8 154.2 41.2 24.3 49.2 40 46 X I E -A 7 0A 3 -33,-2.7 -33,-2.6 -2,-0.3 2,-0.5 -0.868 18.8-154.4-100.9 118.9 39.0 27.2 50.3 41 47 X D E -AD 6 53A 20 12,-2.8 12,-1.9 -2,-0.6 2,-0.3 -0.808 20.0-169.5 -89.5 127.5 40.2 30.7 49.5 42 48 X V E -AD 5 52A 0 -37,-2.6 -37,-2.0 -2,-0.5 10,-0.2 -0.918 21.4-163.2-124.0 149.6 38.8 33.3 51.9 43 49 X V E - D 0 51A 0 8,-1.4 8,-2.3 -2,-0.3 2,-0.4 -0.995 27.2-131.0-127.7 115.6 38.7 37.1 52.1 44 50 X P E + D 0 50A 2 0, 0.0 -42,-0.3 0, 0.0 6,-0.2 -0.583 25.1 178.5 -72.7 125.5 37.9 38.5 55.5 45 51 X I E S- 0 0 10 4,-2.1 5,-0.2 1,-0.6 39,-0.0 0.917 73.7 -25.3 -83.9 -66.2 35.2 41.1 55.6 46 52 X E E > S- D 0 49A 111 3,-0.8 3,-2.4 397,-0.1 -1,-0.6 -0.831 97.4 -60.9-138.4 168.3 35.1 41.7 59.3 47 53 X P T 3 S+ 0 0 39 0, 0.0 396,-0.2 0, 0.0 397,-0.2 -0.391 128.7 11.5 -59.8 131.8 36.2 39.3 62.1 48 54 X H T 3 S+ 0 0 97 395,-1.3 48,-2.5 1,-0.2 2,-0.4 0.477 114.7 91.4 79.5 5.4 33.9 36.2 61.9 49 55 X A E < +DE 46 95A 18 -3,-2.4 -4,-2.1 46,-0.2 -3,-0.8 -0.998 51.7 150.9-131.8 132.4 32.6 37.2 58.5 50 56 X L E -DE 44 94A 0 44,-2.3 44,-2.9 -2,-0.4 2,-0.4 -0.988 42.9-112.7-159.1 164.0 34.1 36.2 55.2 51 57 X F E -DE 43 93A 2 -8,-2.3 -8,-1.4 -2,-0.3 2,-0.4 -0.857 32.0-150.2 -99.4 136.5 33.8 35.3 51.5 52 58 X L E +D 42 0A 3 40,-1.3 9,-2.1 -2,-0.4 2,-0.3 -0.915 27.3 146.0-112.7 136.8 34.3 31.7 50.5 53 59 X G E -DF 41 60A 0 -12,-1.9 -12,-2.8 -2,-0.4 2,-0.3 -0.938 29.2-138.0-155.8 174.7 35.7 30.6 47.1 54 60 X I E >>S+ F 0 59A 0 5,-2.7 5,-1.7 -2,-0.3 4,-0.9 -0.863 70.4 40.1-135.7 168.5 37.8 28.0 45.2 55 61 X H T >45S- 0 0 85 -16,-0.4 3,-1.6 -2,-0.3 -1,-0.2 0.969 134.8 -42.2 55.8 62.9 40.4 28.0 42.4 56 62 X G T 345S- 0 0 42 1,-0.3 -1,-0.2 -3,-0.1 23,-0.1 0.771 109.2 -62.2 58.7 26.3 42.3 31.1 43.4 57 63 X G T 345S+ 0 0 0 2,-0.2 22,-2.6 21,-0.1 -1,-0.3 0.731 105.7 126.4 73.0 21.7 39.1 32.9 44.1 58 64 X K T <<5S+ 0 0 129 -3,-1.6 19,-0.4 -4,-0.9 2,-0.4 0.772 74.8 35.9 -79.6 -28.8 37.9 32.5 40.5 59 65 X M E S- G 0 69A 77 3,-2.5 2,-2.4 -2,-0.5 3,-2.1 -0.815 78.6 -51.1 -96.1 94.3 14.4 29.8 43.9 67 73 X G T 3 S- 0 0 87 -2,-1.1 -2,-0.1 1,-0.3 3,-0.0 -0.482 128.5 -21.7 77.6 -75.2 11.0 30.6 45.3 68 74 X D T 3 S+ 0 0 89 -2,-2.4 2,-1.0 2,-0.0 -1,-0.3 0.350 110.9 109.9-141.5 -10.7 11.6 28.7 48.5 69 75 X E E < -G 66 0A 118 -3,-2.1 -3,-2.5 2,-0.0 2,-0.5 -0.633 53.4-161.0 -78.2 100.5 14.3 26.3 47.4 70 76 X T E +G 65 0A 16 -2,-1.0 2,-0.3 -5,-0.3 -5,-0.2 -0.751 21.1 169.5 -83.5 125.6 17.4 27.5 49.2 71 77 X R E -G 64 0A 75 -7,-2.9 -7,-2.5 -2,-0.5 2,-0.3 -0.973 33.8-125.5-141.6 154.9 20.5 26.1 47.5 72 78 X L E +G 63 0A 28 -2,-0.3 2,-0.3 -9,-0.2 -9,-0.2 -0.681 36.6 170.2 -93.1 148.8 24.3 26.4 47.5 73 79 X Q E -G 62 0A 71 -11,-1.8 -11,-1.8 -2,-0.3 2,-0.4 -0.987 32.9-121.6-161.3 152.0 26.0 27.2 44.2 74 80 X L E -G 61 0A 34 -2,-0.3 2,-0.4 -52,-0.2 -13,-0.2 -0.805 29.1-169.9 -95.7 135.6 29.4 28.1 42.6 75 81 X E E -G 60 0A 33 -15,-1.9 -15,-2.3 -2,-0.4 2,-1.6 -0.948 30.4-117.0-127.2 146.4 29.5 31.3 40.5 76 82 X A + 0 0 91 -2,-0.4 2,-0.3 -17,-0.2 -17,-0.2 -0.663 67.1 126.5 -83.6 84.4 32.3 32.6 38.3 77 83 X V - 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