==== 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 BINDING PROTEIN 20-JUN-94 1ILR . COMPND 2 MOLECULE: INTERLEUKIN-1 RECEPTOR ANTAGONIST PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR H.A.SCHREUDER,J.-M.RONDEAU,C.TARDIF . 289 2 2 2 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 15040.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 199 68.9 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 . 117 40.5 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 4 1.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 6 2.1 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 . 32 11.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 37 12.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 8 2.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 0.7 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 . 6 5 6 0 6 2 2 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 . 1 1 0 0 0 0 0 0 0 1 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 8 1 S 0 0 103 0, 0.0 2,-0.3 0, 0.0 41,-0.1 0.000 360.0 360.0 360.0 70.7 10.3 58.1 8.5 2 9 1 K - 0 0 174 39,-0.1 2,-0.3 0, 0.0 39,-0.1 -0.934 360.0 -79.3-135.3 160.7 7.5 56.9 10.7 3 10 1 M + 0 0 82 -2,-0.3 2,-0.3 39,-0.2 39,-0.2 -0.409 45.0 177.9 -67.6 118.7 6.9 54.0 13.1 4 11 1 Q E -A 41 0A 84 37,-3.1 37,-3.2 -2,-0.3 2,-0.4 -0.806 23.9-128.5-114.8 154.7 6.0 50.6 11.6 5 12 1 A E -A 40 0A 19 -2,-0.3 140,-1.6 35,-0.2 139,-0.9 -0.902 27.5-178.0-109.2 134.1 5.4 47.3 13.4 6 13 1 F E -AB 39 143A 6 33,-3.0 33,-3.2 -2,-0.4 2,-0.4 -0.923 21.8-140.4-130.2 151.3 7.2 44.1 12.4 7 14 1 R E - B 0 142A 82 135,-3.2 135,-2.5 -2,-0.3 2,-0.4 -0.911 26.1-169.1-106.9 141.9 7.1 40.5 13.6 8 15 1 I E + B 0 141A 4 -2,-0.4 8,-0.5 29,-0.4 2,-0.3 -0.987 16.6 161.6-136.1 142.6 10.5 38.8 13.7 9 16 1 W E -CB 15 140A 25 131,-1.5 131,-3.3 -2,-0.4 6,-0.2 -0.971 33.7-117.6-152.6 145.2 11.7 35.2 14.2 10 17 1 D E > - B 0 139A 0 4,-1.8 3,-2.8 -2,-0.3 129,-0.2 -0.376 39.9 -91.1 -82.6 175.3 15.0 33.6 13.3 11 18 1 V T 3 S+ 0 0 22 127,-1.4 128,-0.1 1,-0.3 -1,-0.1 0.622 128.7 54.9 -57.3 -15.5 15.6 30.8 10.9 12 19 1 N T 3 S- 0 0 8 2,-0.1 -1,-0.3 197,-0.1 223,-0.1 0.182 121.3-108.2-103.0 12.6 15.1 28.3 13.7 13 20 1 Q < + 0 0 45 -3,-2.8 2,-0.1 1,-0.2 -2,-0.1 0.534 65.9 151.6 74.8 11.1 11.7 29.8 14.5 14 21 1 K - 0 0 2 13,-0.1 -4,-1.8 11,-0.1 2,-0.2 -0.482 29.9-151.9 -74.4 144.6 12.6 31.5 17.8 15 22 1 T E -CD 9 26A 18 11,-3.2 11,-2.5 -6,-0.2 2,-0.3 -0.701 18.8-107.9-111.5 161.9 10.7 34.7 18.8 16 23 1 F E + D 0 25A 2 -8,-0.5 21,-2.2 21,-0.4 2,-0.3 -0.722 44.5 156.7 -90.5 141.1 11.9 37.6 20.9 17 24 1 Y E - D 0 24A 25 7,-2.1 7,-3.0 -2,-0.3 2,-0.3 -0.959 38.6-105.0-159.0 152.7 10.6 38.1 24.5 18 25 1 L E + D 0 23A 35 17,-0.4 2,-0.4 -2,-0.3 5,-0.2 -0.632 29.2 175.6 -87.4 143.8 11.8 39.8 27.6 19 26 1 R E > S- D 0 22A 100 3,-2.7 3,-1.5 -2,-0.3 -2,-0.0 -0.949 80.3 -13.4-146.6 115.2 13.3 38.1 30.7 20 27 1 N T 3 S- 0 0 144 -2,-0.4 3,-0.1 1,-0.3 -2,-0.0 0.885 127.9 -57.9 54.4 47.5 14.6 40.4 33.5 21 28 1 N T 3 S+ 0 0 107 1,-0.2 2,-0.4 0, 0.0 -1,-0.3 0.694 116.6 117.6 53.8 27.5 14.4 43.3 31.1 22 29 1 Q E < -D 19 0A 117 -3,-1.5 -3,-2.7 50,-0.0 2,-0.5 -0.908 68.8-121.7-118.5 143.3 16.8 41.5 28.7 23 30 1 L E +D 18 0A 10 -2,-0.4 101,-2.5 -5,-0.2 2,-0.3 -0.771 38.0 176.2 -88.1 126.8 15.7 40.5 25.2 24 31 1 V E -DE 17 123A 2 -7,-3.0 -7,-2.1 -2,-0.5 2,-0.5 -0.925 26.3-129.1-129.7 156.0 15.9 36.7 24.7 25 32 1 A E +DE 16 122A 2 97,-2.0 96,-1.7 -2,-0.3 97,-0.7 -0.909 47.0 126.4-107.3 134.2 15.0 34.4 21.8 26 33 1 G E -D 15 0A 0 -11,-2.5 -11,-3.2 -2,-0.5 2,-0.6 -0.940 59.1 -77.7-166.1-175.9 12.9 31.3 22.5 27 34 1 Y - 0 0 38 -2,-0.3 2,-0.5 -13,-0.2 -13,-0.1 -0.904 39.0-161.4-104.1 116.3 9.8 29.3 21.7 28 35 1 L + 0 0 11 -2,-0.6 2,-0.4 5,-0.1 204,-0.1 -0.849 12.6 179.0-100.4 132.6 6.6 30.6 23.1 29 36 1 Q > - 0 0 80 -2,-0.5 3,-1.2 0, 0.0 5,-0.1 -0.998 46.1 -25.0-137.6 140.5 3.6 28.3 23.4 30 37 1 G G > S+ 0 0 50 -2,-0.4 3,-2.2 1,-0.3 4,-0.3 -0.390 128.4 4.1 68.3-132.8 0.1 28.7 24.7 31 38 1 P G > S+ 0 0 114 0, 0.0 3,-1.3 0, 0.0 -1,-0.3 0.813 129.8 59.9 -54.7 -35.3 -0.5 31.4 27.3 32 39 1 N G X S+ 0 0 88 -3,-1.2 3,-2.3 1,-0.2 4,-0.2 0.621 79.5 85.4 -72.9 -8.8 3.1 32.6 27.0 33 40 1 V G X S+ 0 0 77 -3,-2.2 3,-1.3 1,-0.3 -1,-0.2 0.744 77.5 70.6 -63.8 -17.2 2.6 33.4 23.3 34 41 1 N G < S+ 0 0 147 -3,-1.3 -1,-0.3 -4,-0.3 -2,-0.2 0.540 83.8 70.9 -74.8 -8.3 1.4 36.7 24.6 35 42 1 L G < + 0 0 74 -3,-2.3 -17,-0.4 2,-0.1 -1,-0.3 0.548 68.9 126.2 -84.6 -10.7 4.9 37.5 25.6 36 43 1 E < - 0 0 40 -3,-1.3 2,-0.5 -4,-0.2 -19,-0.2 -0.242 55.0-139.6 -53.8 130.9 6.0 37.9 22.0 37 44 1 E - 0 0 27 -21,-2.2 -29,-0.4 -29,-0.1 -21,-0.4 -0.840 8.8-151.9 -98.1 124.7 7.7 41.2 21.3 38 45 1 K - 0 0 77 -2,-0.5 2,-0.5 -31,-0.1 16,-0.3 -0.605 21.4-120.8 -87.1 155.7 6.9 43.0 18.1 39 46 1 I E -A 6 0A 6 -33,-3.2 -33,-3.0 -2,-0.2 2,-0.5 -0.877 15.3-147.0-103.8 129.5 9.6 45.2 16.6 40 47 1 D E -AF 5 52A 17 12,-3.1 12,-2.5 -2,-0.5 2,-0.4 -0.855 21.0-164.3 -94.5 131.4 8.8 48.9 16.1 41 48 1 V E -AF 4 51A 2 -37,-3.2 -37,-3.1 -2,-0.5 10,-0.2 -0.969 20.8-173.1-124.8 131.0 10.7 50.3 13.1 42 49 1 V E - F 0 50A 11 8,-1.7 8,-2.3 -2,-0.4 -39,-0.2 -0.977 31.6-131.4-121.1 111.0 11.4 53.8 12.0 43 50 1 P E - F 0 49A 21 0, 0.0 2,-0.6 0, 0.0 6,-0.3 -0.390 15.5-162.7 -67.1 136.6 13.0 53.8 8.5 44 51 1 I E > - F 0 48A 16 4,-2.1 4,-2.4 -2,-0.1 3,-0.2 -0.963 44.5 -85.5-119.8 105.5 16.2 55.7 7.7 45 52 1 E T 4 S+ 0 0 125 -2,-0.6 4,-0.1 1,-0.2 2,-0.0 -0.301 98.0 9.5 -58.8 141.6 16.5 56.1 3.9 46 53 1 P T 4 S- 0 0 113 0, 0.0 -1,-0.2 0, 0.0 0, 0.0 -0.965 132.5 -24.8 -96.0 -22.0 17.7 54.2 2.1 47 54 1 H T 4 S+ 0 0 113 -3,-0.2 48,-2.7 -2,-0.0 2,-0.2 0.139 103.3 84.8-139.6 26.4 18.5 50.9 3.9 48 55 1 A E < -FG 44 94A 18 -4,-2.4 -4,-2.1 46,-0.3 2,-0.3 -0.618 47.1-179.3-118.3 179.5 18.9 51.5 7.6 49 56 1 L E -FG 43 93A 7 44,-1.7 44,-2.0 -6,-0.3 2,-0.4 -0.983 30.3-112.3-172.2 162.7 16.4 51.8 10.5 50 57 1 F E -FG 42 92A 6 -8,-2.3 -8,-1.7 -2,-0.3 2,-0.4 -0.894 34.8-152.3-103.5 140.5 15.9 52.4 14.2 51 58 1 L E +F 41 0A 4 40,-0.6 9,-2.6 -2,-0.4 2,-0.3 -0.966 24.7 148.1-120.2 134.2 14.6 49.3 16.1 52 59 1 G E -FH 40 59A 1 -12,-2.5 -12,-3.1 -2,-0.4 2,-0.3 -0.866 28.1-139.6-150.8-180.0 12.6 49.3 19.3 53 60 1 I E >>S+ H 0 58A 1 5,-2.6 5,-1.7 -2,-0.3 4,-1.5 -0.880 72.9 43.4-138.6 171.7 9.9 47.5 21.4 54 61 1 H T 45S- 0 0 82 -16,-0.3 -1,-0.1 -2,-0.3 -15,-0.1 0.872 137.5 -44.5 56.6 43.2 6.9 48.5 23.5 55 62 1 G T 45S- 0 0 34 1,-0.2 -1,-0.2 -17,-0.2 23,-0.1 0.806 110.6 -54.5 73.6 30.6 5.7 51.0 21.0 56 63 1 G T 45S+ 0 0 1 2,-0.2 22,-3.0 21,-0.1 23,-0.3 0.763 108.0 125.7 73.5 24.3 9.2 52.4 20.5 57 64 1 K T <5S+ 0 0 122 -4,-1.5 2,-0.4 1,-0.2 -3,-0.2 0.626 74.2 35.0 -85.5 -22.2 9.6 53.0 24.2 58 65 1 M E - I 0 68A 62 3,-2.4 3,-1.8 -2,-0.7 2,-1.1 -0.730 63.2 -66.2 -93.8 86.6 32.1 48.6 27.1 66 73 1 G T 3 S- 0 0 85 -2,-1.1 -2,-0.0 1,-0.3 0, 0.0 -0.588 125.3 -5.4 71.7-100.5 35.9 48.8 27.3 67 74 1 D T 3 S+ 0 0 105 -2,-1.1 2,-0.3 2,-0.0 -1,-0.3 0.526 121.3 88.7-103.4 -5.8 36.9 45.9 25.1 68 75 1 E E < -I 65 0A 135 -3,-1.8 -3,-2.4 2,-0.0 2,-0.7 -0.738 58.8-153.4-103.7 141.9 33.4 44.5 24.6 69 76 1 T E +I 64 0A 31 -2,-0.3 2,-0.3 -5,-0.2 -5,-0.2 -0.908 31.2 174.4-108.9 101.2 30.8 45.3 21.9 70 77 1 R E -I 63 0A 125 -7,-2.9 -7,-3.2 -2,-0.7 2,-0.3 -0.831 32.8-121.2-115.1 148.8 27.4 44.6 23.5 71 78 1 L E -I 62 0A 29 -2,-0.3 2,-0.3 -9,-0.2 -9,-0.2 -0.647 36.2-167.5 -79.6 142.8 23.8 45.0 22.3 72 79 1 Q E -I 61 0A 69 -11,-3.2 -11,-2.9 -2,-0.3 2,-0.6 -0.981 22.9-144.7-138.7 150.1 21.8 47.2 24.6 73 80 1 L E -I 60 0A 39 -2,-0.3 2,-0.3 -13,-0.2 -13,-0.2 -0.963 28.3-168.7-112.2 109.5 18.2 48.1 25.1 74 81 1 E E -I 59 0A 30 -15,-2.8 -15,-2.4 -2,-0.6 2,-1.9 -0.776 30.2-118.6-105.3 150.0 17.8 51.7 26.2 75 82 1 A + 0 0 93 -2,-0.3 2,-0.3 -17,-0.2 -17,-0.2 -0.577 67.8 127.0 -83.8 74.0 14.9 53.6 27.6 76 83 1 V - 0 0 33 -2,-1.9 2,-0.5 -17,-0.0 -2,-0.1 -0.968 64.6-110.5-130.9 146.3 14.6 56.2 24.8 77 84 1 N >> - 0 0 71 -2,-0.3 3,-2.3 1,-0.2 4,-0.7 -0.693 19.9-138.8 -78.8 126.1 11.7 57.1 22.6 78 85 1 I G >4 S+ 0 0 4 -22,-3.0 3,-0.7 -2,-0.5 -1,-0.2 0.807 102.5 61.2 -53.3 -29.5 12.2 55.9 19.1 79 86 1 T G 34 S+ 0 0 101 -23,-0.3 -1,-0.3 1,-0.2 -22,-0.1 0.656 94.6 59.0 -75.5 -15.6 10.7 59.2 18.0 80 87 1 D G <4 S+ 0 0 109 -3,-2.3 -1,-0.2 2,-0.0 -2,-0.2 0.651 87.8 96.8 -85.9 -16.1 13.4 61.4 19.6 81 88 1 L << - 0 0 21 -3,-0.7 2,-0.4 -4,-0.7 -31,-0.0 -0.338 57.7-161.0 -73.1 154.8 16.1 59.7 17.6 82 89 1 S > - 0 0 38 3,-0.2 3,-1.9 1,-0.1 6,-0.3 -0.984 26.0-143.4-142.8 131.1 17.5 61.3 14.4 83 90 1 E T 3 S+ 0 0 96 -2,-0.4 -1,-0.1 1,-0.3 -39,-0.0 0.693 106.7 54.7 -60.3 -16.3 19.4 59.8 11.5 84 91 1 N T 3 S+ 0 0 141 -3,-0.0 2,-0.5 4,-0.0 -1,-0.3 0.269 86.6 90.0-103.6 8.6 21.3 63.2 11.5 85 92 1 R X> - 0 0 120 -3,-1.9 3,-1.0 1,-0.1 4,-0.6 -0.933 68.0-143.9-108.9 127.2 22.5 63.4 15.2 86 93 1 K G >4 S+ 0 0 165 -2,-0.5 3,-0.9 1,-0.2 4,-0.3 0.853 98.1 54.7 -55.1 -38.7 25.9 61.9 15.9 87 94 1 Q G >4 S+ 0 0 124 1,-0.2 3,-0.6 2,-0.1 -1,-0.2 0.751 102.4 55.8 -70.2 -25.5 24.8 60.6 19.3 88 95 1 D G X4 S+ 0 0 18 -3,-1.0 3,-2.1 -6,-0.3 4,-0.3 0.569 80.2 92.3 -85.6 -6.0 21.8 58.6 18.0 89 96 1 K G X< S+ 0 0 92 -3,-0.9 3,-1.9 -4,-0.6 19,-0.4 0.802 70.3 70.9 -58.6 -31.2 24.0 56.6 15.5 90 97 1 R G < S+ 0 0 87 -3,-0.6 -28,-2.0 1,-0.3 -1,-0.3 0.696 98.7 53.1 -59.9 -15.1 24.5 53.8 18.1 91 98 1 F G < S+ 0 0 3 -3,-2.1 -40,-0.6 -30,-0.2 -1,-0.3 0.553 86.3 103.1 -94.8 -14.9 20.8 53.1 17.4 92 99 1 A E < -G 50 0A 9 -3,-1.9 15,-2.5 -4,-0.3 16,-0.5 -0.526 48.0-173.7 -76.7 139.6 21.0 52.8 13.6 93 100 1 F E -GJ 49 106A 0 -44,-2.0 -44,-1.7 13,-0.2 2,-0.6 -0.993 20.9-131.7-132.9 137.0 21.0 49.4 12.0 94 101 1 I E -GJ 48 105A 37 11,-3.6 11,-2.6 -2,-0.4 2,-0.4 -0.817 20.7-146.9 -92.4 122.4 21.5 48.5 8.3 95 102 1 R E - 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