==== 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 LYMPHOKINE 22-APR-99 5TSW . COMPND 2 MOLECULE: PROTEIN (TUMOR NECROSIS FACTOR-ALPHA); . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR S.-S.CHA,J.-S.KIM,H.-S.CHO,B.-H.OH . 888 6 3 3 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 35495.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 521 58.7 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 . 358 40.3 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 5 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 1 0.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 6 0.7 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 . 2 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 . 95 10.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 43 4.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 5 0.6 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 . 6 14 10 0 12 6 1 5 0 0 0 0 0 6 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 6 0 6 0 0 0 0 0 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 9 A S 0 0 110 0, 0.0 30,-0.1 0, 0.0 343,-0.0 0.000 360.0 360.0 360.0 120.6 -9.6 -19.1 -1.8 2 10 A D + 0 0 90 2,-0.1 3,-0.0 28,-0.1 0, 0.0 0.436 360.0 114.7-114.0 -3.5 -8.3 -19.4 -5.4 3 11 A K S S- 0 0 92 1,-0.1 27,-0.1 145,-0.1 29,-0.1 -0.519 74.3-109.3 -81.7 132.5 -6.3 -16.2 -5.6 4 12 A P + 0 0 19 0, 0.0 144,-1.7 0, 0.0 2,-0.3 -0.314 55.0 168.5 -52.5 123.6 -2.5 -16.0 -6.0 5 13 A V E +AB 30 147A 3 25,-2.0 25,-2.4 142,-0.2 2,-0.3 -0.954 20.6 177.0-144.6 158.4 -1.3 -14.7 -2.7 6 14 A A E +AB 29 146A 0 140,-1.9 140,-2.0 -2,-0.3 23,-0.3 -0.975 14.3 170.8-160.4 149.0 1.9 -14.2 -0.6 7 15 A H E +AB 28 145A 3 21,-2.2 21,-2.1 -2,-0.3 138,-0.3 -0.536 22.5 176.4-159.7 87.9 3.0 -12.8 2.7 8 16 A V E - B 0 144A 0 136,-3.3 136,-2.9 19,-0.2 2,-0.3 -0.613 10.7-155.5 -98.5 156.2 6.6 -13.6 3.5 9 17 A V E -CB 21 143A 8 12,-2.8 12,-2.3 134,-0.2 2,-0.4 -0.797 31.9 -83.3-126.8 167.2 8.7 -12.5 6.4 10 18 A A E -C 20 0A 4 132,-1.5 10,-0.2 -2,-0.3 132,-0.1 -0.631 46.8-118.0 -72.7 125.4 12.4 -12.0 7.2 11 19 A N - 0 0 29 8,-3.0 8,-0.3 -2,-0.4 3,-0.3 -0.483 18.6-149.6 -64.2 120.4 14.0 -15.3 8.2 12 20 A P S S+ 0 0 64 0, 0.0 -1,-0.2 0, 0.0 124,-0.1 0.670 94.3 58.0 -68.9 -15.1 15.1 -14.7 11.8 13 21 A Q S S+ 0 0 152 6,-0.1 3,-0.2 2,-0.1 -2,-0.1 0.863 72.5 121.8 -76.7 -43.2 18.0 -17.1 11.3 14 22 A A S S- 0 0 7 -3,-0.3 2,-1.7 1,-0.2 3,-0.4 0.108 74.0-118.9 -27.1 112.5 19.6 -15.2 8.3 15 23 A E S S- 0 0 101 1,-0.3 -1,-0.2 3,-0.0 3,-0.1 -0.408 78.8 -44.6 -64.1 86.8 23.1 -14.4 9.4 16 24 A G S S+ 0 0 53 -2,-1.7 2,-0.3 1,-0.2 -1,-0.3 0.769 119.9 101.7 59.2 27.0 22.9 -10.6 9.2 17 25 A Q S S- 0 0 49 -3,-0.4 2,-0.9 -6,-0.2 -1,-0.2 -0.932 77.9-107.2-135.9 158.6 21.1 -10.7 5.8 18 26 A L + 0 0 23 -2,-0.3 2,-0.6 -3,-0.1 110,-0.1 -0.791 40.6 170.9 -91.5 107.1 17.5 -10.2 4.6 19 27 A Q - 0 0 95 -2,-0.9 -8,-3.0 -8,-0.3 -5,-0.2 -0.916 25.9-140.1-118.9 102.7 16.1 -13.6 3.6 20 28 A W E +C 10 0A 8 -2,-0.6 2,-0.3 -10,-0.2 -10,-0.2 -0.326 27.6 179.4 -57.5 140.8 12.3 -13.7 2.8 21 29 A S E -C 9 0A 11 -12,-2.3 -12,-2.8 17,-0.0 3,-0.2 -0.996 34.2-164.3-147.4 145.1 10.6 -16.9 4.0 22 30 A N S S+ 0 0 43 -2,-0.3 5,-0.2 -14,-0.2 -12,-0.1 0.227 75.8 90.6-110.9 10.2 7.1 -18.3 4.0 23 31 A R + 0 0 196 -14,-0.1 2,-0.3 3,-0.1 -1,-0.1 -0.208 67.0 87.3-100.6 40.8 8.0 -20.9 6.7 24 32 A R S > S- 0 0 88 -3,-0.2 3,-0.7 1,-0.1 -13,-0.0 -0.885 90.9 -74.4-132.7 157.2 7.1 -18.9 9.8 25 33 A A T 3 S+ 0 0 79 -2,-0.3 3,-0.1 1,-0.2 -1,-0.1 -0.197 115.9 17.4 -50.2 143.8 3.7 -18.5 11.6 26 34 A N T 3 S+ 0 0 44 1,-0.2 2,-0.3 389,-0.1 -1,-0.2 0.849 96.4 135.1 61.0 36.2 1.1 -16.3 9.9 27 35 A A < - 0 0 22 -3,-0.7 2,-0.3 -5,-0.2 -1,-0.2 -0.764 37.2-156.1-113.5 159.2 3.0 -16.5 6.6 28 36 A L E +A 7 0A 28 -21,-2.1 -21,-2.2 -2,-0.3 2,-0.1 -0.971 28.7 153.9-137.9 155.3 1.5 -17.1 3.1 29 37 A L E +A 6 0A 43 -2,-0.3 2,-0.3 -23,-0.3 -23,-0.2 -0.442 37.6 144.6-176.9 89.6 2.6 -18.4 -0.3 30 38 A A E > +A 5 0A 35 -25,-2.4 -25,-2.0 1,-0.1 3,-1.6 -0.869 38.8 22.5-138.8 169.9 -0.4 -19.8 -2.3 31 39 A N T 3 S- 0 0 72 -2,-0.3 -1,-0.1 1,-0.3 3,-0.1 0.783 128.3 -35.1 45.8 40.4 -2.2 -20.3 -5.6 32 40 A G T 3 S+ 0 0 45 1,-0.3 2,-0.4 -3,-0.1 -1,-0.3 0.163 98.2 124.1 112.4 -25.9 0.8 -19.9 -7.8 33 41 A V < - 0 0 7 -3,-1.6 -1,-0.3 -28,-0.3 2,-0.3 -0.626 43.8-165.2 -71.4 128.6 3.0 -17.3 -6.2 34 42 A E E -G 41 0B 80 7,-1.2 7,-1.9 -2,-0.4 2,-0.9 -0.879 25.2-125.6-119.7 148.6 6.5 -18.9 -5.7 35 43 A L E +G 40 0B 45 -2,-0.3 2,-0.4 5,-0.2 5,-0.2 -0.842 44.8 165.3 -87.8 105.8 9.5 -17.8 -3.6 36 44 A R E > -G 39 0B 122 3,-2.9 3,-0.7 -2,-0.9 -2,-0.1 -0.911 62.9 -13.6-133.7 112.9 12.2 -17.8 -6.2 37 45 A D T 3 S- 0 0 109 -2,-0.4 3,-0.1 1,-0.2 -1,-0.1 0.812 122.2 -60.8 71.2 33.9 15.6 -16.1 -5.7 38 46 A N T 3 S+ 0 0 65 1,-0.3 88,-0.3 -18,-0.1 2,-0.3 0.539 123.1 106.3 68.7 9.9 14.4 -14.2 -2.6 39 47 A Q E < S-G 36 0B 28 -3,-0.7 -3,-2.9 86,-0.1 2,-0.4 -0.757 74.2-118.5-114.0 160.2 12.0 -12.7 -5.1 40 48 A L E -GH 35 124B 0 84,-1.9 84,-2.9 -2,-0.3 2,-0.5 -0.846 23.4-150.3-104.1 132.6 8.2 -13.2 -5.6 41 49 A V E -GH 34 123B 18 -7,-1.9 -7,-1.2 -2,-0.4 82,-0.2 -0.937 9.8-136.3-112.3 122.5 7.0 -14.6 -8.9 42 50 A V - 0 0 1 80,-2.4 79,-2.8 -2,-0.5 80,-0.1 -0.544 7.0-156.5 -71.3 128.6 3.6 -13.7 -10.3 43 51 A P + 0 0 32 0, 0.0 2,-0.3 0, 0.0 77,-0.2 0.630 69.6 5.2 -87.6 -8.3 1.7 -16.7 -11.7 44 52 A I S S- 0 0 99 75,-0.2 74,-0.1 78,-0.1 77,-0.1 -0.973 82.9 -82.5-164.0 164.3 -0.6 -14.8 -14.0 45 53 A E + 0 0 107 -2,-0.3 74,-0.2 74,-0.1 2,-0.2 -0.285 69.4 79.8 -69.3 162.6 -1.5 -11.3 -15.4 46 54 A G E S-D 118 0A 16 72,-1.8 72,-2.5 2,-0.0 2,-0.1 -0.774 77.8 -38.1 136.9-179.9 -3.7 -8.8 -13.5 47 55 A L E -D 117 0A 23 -2,-0.2 2,-0.3 70,-0.2 70,-0.2 -0.512 55.7-176.6 -77.7 149.8 -4.0 -6.2 -10.8 48 56 A F E -D 116 0A 3 68,-0.9 68,-3.3 100,-0.2 2,-0.6 -0.978 25.9-139.4-150.3 137.6 -2.0 -6.9 -7.6 49 57 A L E -DE 115 147A 26 98,-2.8 98,-1.4 -2,-0.3 2,-0.4 -0.886 27.2-173.7 -96.4 124.6 -1.6 -5.2 -4.3 50 58 A I E +DE 114 146A 0 64,-2.4 64,-2.4 -2,-0.6 2,-0.3 -0.989 8.4 167.8-124.5 129.9 2.0 -5.4 -3.3 51 59 A Y E +DE 113 145A 2 94,-1.8 94,-2.8 -2,-0.4 2,-0.3 -0.958 8.2 175.0-137.1 162.0 3.2 -4.2 0.1 52 60 A S E -DE 112 144A 0 60,-2.2 60,-3.4 -2,-0.3 2,-0.3 -0.936 8.4-167.5-168.7 144.9 6.3 -4.4 2.3 53 61 A Q E -DE 111 143A 2 90,-2.2 90,-1.8 -2,-0.3 2,-0.3 -0.996 3.2-174.5-138.4 139.7 7.7 -3.1 5.6 54 62 A V E -D 110 0A 0 56,-1.7 56,-2.0 -2,-0.3 2,-0.4 -0.956 12.3-149.2-130.4 145.9 11.2 -3.2 7.2 55 63 A L E -D 109 0A 0 -2,-0.3 80,-2.8 54,-0.2 2,-0.4 -0.949 9.7-159.7-116.7 143.0 12.2 -2.1 10.6 56 64 A F E +DF 108 134A 0 52,-1.6 52,-2.5 -2,-0.4 2,-0.3 -0.961 11.4 175.9-123.7 142.4 15.6 -0.6 11.5 57 65 A K E +D 107 0A 77 76,-2.7 2,-0.3 -2,-0.4 50,-0.2 -0.956 6.4 153.2-142.1 157.6 17.3 -0.4 14.9 58 66 A G E -D 106 0A 11 48,-1.3 48,-2.3 -2,-0.3 2,-0.5 -0.962 35.9-120.0-177.3 157.2 20.7 0.8 16.2 59 67 A Q E S-D 105 0A 123 -2,-0.3 44,-0.1 46,-0.3 -2,-0.0 -0.978 76.7 -19.7-115.0 126.6 22.4 2.2 19.3 60 68 A G S S- 0 0 12 44,-1.2 46,-0.2 -2,-0.5 42,-0.0 0.153 73.9 -99.4 66.9 169.0 24.1 5.5 19.0 61 69 A a - 0 0 3 -3,-0.1 2,-5.6 44,-0.1 -1,-0.2 -0.829 27.1-145.7-127.2 90.2 25.1 7.2 15.8 62 70 A P - 0 0 97 0, 0.0 3,-0.1 0, 0.0 2,-0.1 0.027 55.2 -88.7 -54.5 59.8 28.9 6.6 15.4 63 71 A S S S+ 0 0 54 -2,-5.6 34,-0.1 1,-0.2 32,-0.1 -0.426 99.9 86.1 56.5-159.7 29.2 10.0 13.8 64 72 A T S S- 0 0 108 32,-0.2 2,-0.5 1,-0.1 -1,-0.2 0.260 82.4 -97.2 56.9 163.9 28.6 9.7 10.0 65 73 A H - 0 0 100 -3,-0.1 2,-0.2 27,-0.0 -1,-0.1 -0.923 30.6-157.3-128.1 112.9 25.2 9.8 8.5 66 74 A V - 0 0 12 -2,-0.5 27,-0.5 2,-0.0 2,-0.4 -0.501 0.5-160.1 -80.7 149.1 23.2 6.7 7.6 67 75 A L - 0 0 65 -2,-0.2 2,-0.5 24,-0.2 24,-0.2 -0.996 11.0-148.6-129.7 128.0 20.5 6.7 5.0 68 76 A L E -I 90 0B 0 22,-3.1 22,-2.5 -2,-0.4 2,-0.3 -0.894 17.8-174.3-101.9 127.1 18.0 3.8 5.1 69 77 A T E +I 89 0B 33 -2,-0.5 60,-1.0 20,-0.2 61,-0.4 -0.890 12.9 174.8-124.8 151.1 16.4 2.7 1.9 70 78 A H E +IJ 88 128B 0 18,-1.7 18,-2.3 -2,-0.3 2,-0.3 -0.962 10.8 169.0-150.4 134.2 13.7 0.1 1.0 71 79 A T E -IJ 87 127B 20 56,-2.0 56,-2.2 -2,-0.3 2,-0.6 -0.904 29.2-147.6-159.3 126.8 12.2 -0.5 -2.5 72 80 A I E -IJ 86 126B 0 14,-1.0 13,-2.4 -2,-0.3 14,-1.8 -0.868 30.9-170.1 -90.2 118.2 10.0 -3.1 -4.3 73 81 A S E -IJ 84 125B 5 52,-2.3 52,-1.8 -2,-0.6 2,-0.4 -0.719 15.0-135.4-105.6 165.3 11.2 -3.3 -7.9 74 82 A R E -IJ 83 124B 36 9,-2.4 9,-1.1 -2,-0.3 2,-0.5 -0.965 13.6-172.6-124.0 131.2 9.6 -5.1 -10.8 75 83 A I E - 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