==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=22-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER CYTOKINE 09-SEP-05 2AZ5 . COMPND 2 MOLECULE: TUMOR NECROSIS FACTOR (TNF-ALPHA) (TUMOR . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR M.M.HE . 538 11 4 3 1 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 25616.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 335 62.3 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 . 239 44.4 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 . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 6 1.1 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 . 53 9.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 35 6.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), 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 . 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 11 5 0 8 4 0 3 1 0 0 0 2 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 4 0 2 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 10 A D 0 0 108 0, 0.0 397,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -18.3 -10.9 51.7 31.5 2 11 A K - 0 0 156 1,-0.1 25,-0.1 131,-0.1 23,-0.1 -0.532 360.0-103.2 -80.3 131.3 -11.5 54.8 33.7 3 12 A P + 0 0 11 0, 0.0 130,-2.7 0, 0.0 2,-0.3 -0.178 47.1 170.5 -52.2 137.3 -14.7 55.0 35.8 4 13 A V E +AB 25 132A 33 21,-1.4 21,-2.4 128,-0.2 2,-0.3 -0.987 9.7 177.2-151.6 145.3 -17.4 57.3 34.4 5 14 A A E +AB 24 131A 0 126,-2.5 126,-1.4 -2,-0.3 19,-0.2 -0.987 12.9 174.9-147.5 152.4 -21.0 58.0 35.2 6 15 A H E + B 0 130A 61 17,-2.7 2,-0.3 -2,-0.3 124,-0.2 -0.667 16.1 179.5-158.4 99.9 -23.8 60.3 34.1 7 16 A V E - B 0 129A 4 122,-2.8 122,-2.0 -2,-0.2 2,-0.3 -0.821 13.0-148.8-107.2 144.8 -27.2 59.7 35.7 8 17 A V E -CB 20 128A 45 12,-0.7 12,-3.9 -2,-0.3 120,-0.2 -0.801 25.3 -98.3-114.1 154.0 -30.3 61.8 34.9 9 18 A A E -C 19 0A 6 118,-1.9 10,-0.2 -2,-0.3 118,-0.1 -0.324 33.2-113.7 -73.2 149.2 -33.2 62.6 37.2 10 19 A N > - 0 0 29 8,-3.0 3,-1.4 1,-0.1 8,-0.3 -0.755 18.3-156.6 -81.9 115.0 -36.5 60.6 37.2 11 20 A P T 3 S+ 0 0 56 0, 0.0 -1,-0.1 0, 0.0 110,-0.1 0.534 91.2 53.2 -69.9 -2.4 -39.3 63.0 35.9 12 21 A Q T 3 S+ 0 0 149 6,-0.1 2,-0.1 2,-0.1 -2,-0.0 0.249 78.3 119.0-115.7 9.6 -41.9 60.8 37.7 13 22 A A < - 0 0 23 -3,-1.4 2,-0.6 5,-0.1 3,-0.2 -0.463 62.2-123.3 -77.0 151.5 -40.5 60.7 41.2 14 23 A E S S- 0 0 165 1,-0.2 3,-0.1 -2,-0.1 -1,-0.1 -0.873 76.6 -25.7-103.0 116.0 -42.6 62.2 44.1 15 24 A G S S+ 0 0 67 -2,-0.6 2,-0.3 1,-0.1 -1,-0.2 0.784 118.2 86.8 59.5 32.2 -41.1 64.9 46.3 16 25 A Q S S- 0 0 94 100,-0.2 2,-0.7 -3,-0.2 -1,-0.1 -0.996 78.0-120.1-156.6 150.2 -37.5 63.9 45.6 17 26 A L - 0 0 13 -2,-0.3 2,-0.5 96,-0.1 94,-0.1 -0.887 43.6-178.4 -91.1 114.6 -34.6 64.3 43.2 18 27 A Q - 0 0 64 -2,-0.7 -8,-3.0 -8,-0.3 2,-0.4 -0.971 20.5-137.4-125.8 122.7 -34.0 60.7 42.1 19 28 A W E -C 9 0A 10 -2,-0.5 2,-0.3 -10,-0.2 -10,-0.3 -0.639 16.3-141.0 -83.7 128.9 -31.3 59.5 39.7 20 29 A L E C 8 0A 69 -12,-3.9 -12,-0.7 -2,-0.4 -1,-0.0 -0.655 360.0 360.0 -83.5 142.6 -32.1 57.0 36.9 21 30 A N 0 0 167 -2,-0.3 3,-0.1 -14,-0.1 -14,-0.1 -0.348 360.0 360.0 -80.8 360.0 -29.8 54.2 36.0 22 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 23 36 A L 0 0 117 0, 0.0 -17,-2.7 0, 0.0 2,-0.1 0.000 360.0 360.0 360.0-170.8 -23.8 56.0 31.4 24 37 A L E +A 5 0A 64 -19,-0.2 2,-0.2 -3,-0.1 -19,-0.2 -0.611 360.0 148.5-151.5 84.6 -22.7 54.0 34.4 25 38 A A E > +A 4 0A 28 -21,-2.4 3,-1.5 1,-0.2 -21,-1.4 -0.723 36.3 27.2-129.2 167.9 -19.4 52.2 33.5 26 39 A N T 3 S- 0 0 90 1,-0.3 -1,-0.2 -2,-0.2 -21,-0.1 0.733 130.4 -40.4 53.9 29.2 -16.1 50.8 34.5 27 40 A G T 3 S+ 0 0 41 1,-0.4 -1,-0.3 -3,-0.2 2,-0.2 0.280 95.7 135.7 112.7 -9.8 -17.2 50.2 38.0 28 41 A V < - 0 0 7 -3,-1.5 -1,-0.4 -24,-0.3 2,-0.3 -0.545 34.4-167.4 -69.6 135.1 -19.3 53.2 39.0 29 42 A E E -G 36 0B 85 7,-1.4 7,-2.7 -2,-0.2 2,-0.6 -0.909 20.8-139.8-120.2 151.5 -22.5 52.1 40.8 30 43 A L E +G 35 0B 37 -2,-0.3 2,-0.4 5,-0.2 5,-0.2 -0.964 36.2 161.1-108.2 116.6 -25.7 53.9 41.7 31 44 A R - 0 0 142 3,-2.8 3,-0.5 -2,-0.6 -2,-0.1 -0.967 63.6 -4.9-146.1 122.8 -26.8 52.8 45.2 32 45 A D S S- 0 0 139 -2,-0.4 -1,-0.1 1,-0.2 3,-0.1 0.863 129.5 -56.8 59.7 40.9 -29.2 54.6 47.6 33 46 A N S S+ 0 0 56 1,-0.2 78,-0.5 -14,-0.1 2,-0.3 0.689 119.2 108.7 68.7 22.3 -29.5 57.5 45.2 34 47 A Q S S- 0 0 17 -3,-0.5 -3,-2.8 76,-0.1 2,-0.3 -0.953 70.8-121.1-133.2 144.0 -25.7 58.0 45.3 35 48 A L E -GH 30 109B 0 74,-2.5 74,-3.0 -2,-0.3 2,-0.5 -0.687 27.3-151.4 -83.6 137.2 -22.8 57.4 43.0 36 49 A V E -GH 29 108B 20 -7,-2.7 -7,-1.4 -2,-0.3 72,-0.2 -0.953 9.3-134.5-115.5 128.9 -20.2 54.9 44.4 37 50 A V - 0 0 1 70,-2.9 69,-3.0 -2,-0.5 70,-0.2 -0.653 7.9-158.9 -86.2 130.3 -16.6 55.2 43.3 38 51 A P S S+ 0 0 25 0, 0.0 2,-0.3 0, 0.0 67,-0.1 0.653 70.8 19.7 -84.4 -16.1 -14.9 51.9 42.4 39 52 A S S S- 0 0 51 65,-0.1 64,-0.1 66,-0.1 68,-0.0 -0.996 82.3 -95.2-152.9 152.8 -11.3 53.1 42.9 40 53 A E S S+ 0 0 124 -2,-0.3 2,-0.3 -3,-0.1 64,-0.2 -0.335 70.7 94.5 -57.5 144.1 -9.1 55.7 44.5 41 54 A G E S-D 103 0A 19 62,-2.1 62,-3.1 2,-0.0 2,-0.5 -0.899 74.8 -52.9 154.9 177.6 -8.2 58.6 42.2 42 55 A L E -D 102 0A 54 -2,-0.3 2,-0.4 60,-0.2 60,-0.3 -0.735 52.2-170.9 -85.6 128.4 -8.9 62.1 40.9 43 56 A Y E -D 101 0A 1 58,-3.8 58,-2.8 -2,-0.5 2,-0.5 -0.979 23.6-140.7-125.7 133.8 -12.5 62.6 39.7 44 57 A L E -DE 100 132A 59 88,-3.1 88,-2.1 -2,-0.4 2,-0.4 -0.803 28.5-165.6 -76.6 130.0 -14.2 65.4 37.9 45 58 A I E +DE 99 131A 0 54,-2.8 54,-1.9 -2,-0.5 2,-0.3 -0.984 14.3 163.3-123.4 137.4 -17.6 65.7 39.5 46 59 A Y E +DE 98 130A 60 84,-2.6 84,-3.3 -2,-0.4 2,-0.3 -0.988 10.5 170.4-151.7 156.9 -20.4 67.7 37.9 47 60 A S E -DE 97 129A 5 50,-1.9 50,-2.0 -2,-0.3 2,-0.3 -0.981 13.2-160.0-161.2 159.0 -24.1 68.3 38.0 48 61 A Q E -DE 96 128A 19 80,-2.6 80,-2.3 -2,-0.3 2,-0.4 -0.975 7.3-175.9-144.0 132.7 -26.9 70.5 36.7 49 62 A V E -D 95 0A 0 46,-2.0 46,-2.0 -2,-0.3 2,-0.5 -0.988 14.0-149.0-124.0 137.2 -30.4 70.9 38.1 50 63 A L E -D 94 0A 29 -2,-0.4 70,-2.9 44,-0.2 2,-0.4 -0.928 13.7-170.8-107.8 128.9 -33.1 73.1 36.4 51 64 A F E +DF 93 119A 1 42,-3.5 42,-2.8 -2,-0.5 2,-0.3 -0.903 6.1 176.2-113.6 147.8 -35.7 74.9 38.5 52 65 A K E +D 92 0A 81 66,-3.0 2,-0.3 -2,-0.4 40,-0.2 -0.996 3.2 172.3-149.5 152.7 -38.8 76.7 37.3 53 66 A G E -D 91 0A 9 38,-2.0 38,-2.0 -2,-0.3 2,-0.6 -0.962 32.5-113.6-152.5 166.7 -41.8 78.5 38.7 54 67 A Q S S- 0 0 191 -2,-0.3 -2,-0.0 36,-0.2 38,-0.0 -0.920 75.7 -38.0-113.7 109.5 -44.8 80.6 37.8 55 68 A G S S- 0 0 38 -2,-0.6 36,-0.2 1,-0.1 -1,-0.0 0.006 82.6 -72.4 63.7-175.6 -44.7 84.2 39.1 56 69 A a - 0 0 78 -3,-0.1 -1,-0.1 34,-0.1 4,-0.1 -0.964 44.5-155.2-126.4 122.0 -43.4 85.2 42.5 57 70 A P - 0 0 74 0, 0.0 4,-0.1 0, 0.0 -1,-0.0 0.234 32.2-101.2 -79.3-163.1 -45.2 84.5 45.9 58 71 A S S S+ 0 0 129 2,-0.1 2,-0.4 0, 0.0 -2,-0.0 0.731 103.4 76.5 -94.0 -32.6 -45.1 86.1 49.3 59 72 A T S S- 0 0 101 1,-0.1 2,-0.6 0, 0.0 0, 0.0 -0.677 95.5-115.0 -75.6 132.8 -42.8 83.4 50.8 60 73 A H - 0 0 62 -2,-0.4 2,-0.5 -4,-0.1 -2,-0.1 -0.612 26.9-135.8 -80.1 115.0 -39.3 84.0 49.6 61 74 A V - 0 0 5 -2,-0.6 2,-0.5 -4,-0.1 27,-0.5 -0.579 22.4-177.4 -75.6 113.7 -38.0 81.2 47.4 62 75 A L - 0 0 53 -2,-0.5 2,-0.5 24,-0.2 24,-0.2 -0.965 8.0-162.2-106.8 127.6 -34.5 79.9 48.0 63 76 A L E -I 85 0B 0 22,-3.0 22,-2.6 -2,-0.5 2,-0.3 -0.948 11.2-175.8-108.9 120.5 -33.2 77.2 45.7 64 77 A T E -I 84 0B 37 -2,-0.5 50,-1.2 20,-0.2 51,-0.4 -0.887 9.8-178.4-116.8 148.9 -30.2 75.2 46.9 65 78 A H E +IJ 83 113B 0 18,-2.2 18,-2.3 -2,-0.3 2,-0.3 -0.968 10.6 171.1-145.1 128.0 -28.2 72.4 45.2 66 79 A T E -IJ 82 112B 21 46,-2.6 46,-2.9 -2,-0.3 2,-0.5 -0.999 25.8-147.4-141.3 144.3 -25.2 70.5 46.7 67 80 A I E -IJ 81 111B 0 14,-2.8 13,-2.8 -2,-0.3 14,-1.7 -0.945 25.4-164.7-105.7 129.9 -23.0 67.6 46.0 68 81 A S E -IJ 79 110B 2 42,-2.6 42,-2.0 -2,-0.5 2,-0.6 -0.866 15.6-138.3-117.5 149.1 -21.7 65.7 49.1 69 82 A R E -IJ 78 109B 37 9,-2.6 9,-1.4 -2,-0.3 2,-0.9 -0.940 9.8-162.0-107.0 118.7 -19.0 63.1 49.6 70 83 A I E -IJ 77 108B 41 38,-3.7 38,-3.0 -2,-0.6 2,-0.9 -0.891 7.3-162.0 -99.3 98.3 -19.8 60.2 51.8 71 84 A A > - 0 0 7 5,-1.5 4,-0.6 -2,-0.9 5,-0.3 -0.778 5.7-165.5 -79.9 106.3 -16.5 58.9 52.8 72 85 A V T 4 S+ 0 0 75 -2,-0.9 -1,-0.2 2,-0.2 3,-0.1 0.912 79.9 33.1 -69.1 -49.1 -17.5 55.4 54.0 73 86 A S T 4 S+ 0 0 128 1,-0.2 -1,-0.2 2,-0.1 -2,-0.1 0.810 118.3 52.2 -82.1 -30.6 -14.4 54.2 55.9 74 87 A Y T 4 S- 0 0 77 2,-0.1 -1,-0.2 1,-0.1 -2,-0.2 0.557 100.3-145.0 -78.6 -9.9 -13.4 57.7 57.2 75 88 A Q < + 0 0 179 -4,-0.6 2,-0.2 1,-0.2 -3,-0.1 0.395 57.5 111.5 67.4 1.3 -17.0 57.9 58.5 76 89 A T - 0 0 94 -5,-0.3 -5,-1.5 2,-0.0 2,-0.3 -0.625 51.1-152.3-103.1 165.2 -17.4 61.6 57.8 77 90 A K E +I 70 0B 114 -2,-0.2 2,-0.3 -7,-0.2 -7,-0.2 -0.964 18.2 169.7-142.2 121.4 -19.6 63.5 55.3 78 91 A V E -I 69 0B 44 -9,-1.4 -9,-2.6 -2,-0.3 2,-0.4 -0.921 38.2-102.3-132.8 152.0 -18.9 67.0 53.8 79 92 A N E -I 68 0B 49 -2,-0.3 -11,-0.3 -11,-0.2 3,-0.1 -0.605 28.2-177.2 -66.4 128.8 -20.2 69.2 51.0 80 93 A L E S+ 0 0 4 -13,-2.8 2,-0.4 -2,-0.4 -12,-0.2 0.857 72.2 6.4 -86.3 -47.1 -18.0 69.2 48.0 81 94 A L E +I 67 0B 0 -14,-1.7 -14,-2.8 184,-0.1 -1,-0.3 -0.999 68.7 170.3-143.6 133.0 -19.9 71.8 46.0 82 95 A S E +I 66 0B 4 184,-2.7 2,-0.3 -2,-0.4 -16,-0.2 -1.000 4.4 172.0-146.3 146.3 -22.8 74.0 46.7 83 96 A A E -I 65 0B 0 -18,-2.3 -18,-2.2 -2,-0.3 2,-0.3 -0.987 11.5-156.8-149.7 161.6 -24.8 76.9 45.3 84 97 A I E -I 64 0B 16 -2,-0.3 2,-0.4 -20,-0.2 -20,-0.2 -0.976 4.7-167.2-139.2 141.2 -28.0 78.9 46.0 85 98 A K E -I 63 0B 29 -22,-2.6 -22,-3.0 -2,-0.3 149,-0.1 -0.988 14.2-155.1-132.6 148.3 -30.3 81.0 43.9 86 99 A S - 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