==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=5-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER CYTOKINE 12-OCT-98 2TNF . COMPND 2 MOLECULE: PROTEIN (TUMOR NECROSIS FACTOR ALPHA); . SOURCE 2 ORGANISM_SCIENTIFIC: MUS MUSCULUS; . AUTHOR K.J.BAEYENS,H.L.DE BONDT,A.RAEYMAEKERS,W.FIERS,C.J.DE RANTER . 444 3 3 3 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 19452.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 267 60.1 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 . 181 40.8 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, 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 . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 0.9 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 . 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 . 48 10.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 28 6.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 1 0.2 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 . 3 6 6 0 3 6 2 1 0 0 0 0 0 3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 3 0 3 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 0 122 0, 0.0 30,-0.1 0, 0.0 4,-0.1 0.000 360.0 360.0 360.0 -49.3 1.7 68.7 -38.4 2 10 A D + 0 0 128 2,-0.1 3,-0.1 28,-0.0 0, 0.0 0.429 360.0 112.0-109.3 0.8 5.0 69.3 -40.1 3 11 A K S S- 0 0 102 1,-0.1 29,-0.1 144,-0.1 27,-0.1 -0.454 82.9 -96.4 -73.2 140.1 5.4 65.6 -41.3 4 12 A P + 0 0 19 0, 0.0 143,-2.8 0, 0.0 2,-0.3 -0.337 55.9 173.9 -57.6 134.0 5.2 65.1 -45.1 5 13 A V E +AB 30 146A 4 25,-2.1 25,-3.1 141,-0.2 2,-0.3 -0.991 15.7 174.2-149.1 141.6 1.6 64.0 -46.0 6 14 A A E +AB 29 145A 1 139,-2.0 139,-2.0 -2,-0.3 2,-0.3 -0.995 12.8 170.0-150.2 137.2 -0.4 63.4 -49.1 7 15 A H E +AB 28 144A 2 21,-2.6 21,-2.8 -2,-0.3 2,-0.3 -0.791 23.4 179.4-145.0 95.2 -3.9 62.0 -49.8 8 16 A V E - B 0 143A 0 135,-3.1 135,-2.5 -2,-0.3 2,-0.3 -0.735 10.4-152.1-103.5 151.9 -4.6 62.6 -53.4 9 17 A V E -CB 21 142A 16 12,-2.4 12,-2.6 -2,-0.3 133,-0.2 -0.855 26.1 -88.1-123.8 160.2 -7.8 61.6 -55.3 10 18 A A E -C 20 0A 9 131,-1.8 2,-0.5 -2,-0.3 10,-0.2 -0.358 40.0-113.9 -69.6 142.4 -8.8 60.6 -58.8 11 19 A N - 0 0 12 8,-2.3 8,-0.3 1,-0.1 3,-0.2 -0.638 26.2-162.6 -72.0 124.4 -9.7 63.3 -61.3 12 20 A H S S+ 0 0 90 -2,-0.5 -1,-0.1 1,-0.2 123,-0.1 0.571 74.5 74.8 -87.0 -13.5 -13.4 62.7 -62.0 13 21 A Q S S+ 0 0 147 1,-0.1 2,-0.6 2,-0.0 -1,-0.2 0.784 89.7 54.3 -70.9 -34.6 -13.6 64.7 -65.2 14 22 A V S > S- 0 0 53 -3,-0.2 3,-0.7 3,-0.1 5,-0.2 -0.928 77.4-148.1-110.7 113.0 -11.8 62.4 -67.6 15 23 A E T 3 S+ 0 0 113 -2,-0.6 116,-0.1 1,-0.2 3,-0.1 -0.338 76.4 26.1 -74.3 158.5 -13.1 58.8 -67.8 16 24 A E T 3 S+ 0 0 76 114,-0.4 2,-0.3 117,-0.3 115,-0.2 0.602 106.0 90.6 65.4 15.4 -11.0 55.7 -68.5 17 25 A Q < - 0 0 113 -3,-0.7 2,-0.7 113,-0.2 -1,-0.1 -0.988 67.7-138.0-140.9 147.1 -7.8 57.4 -67.0 18 26 A L + 0 0 16 -2,-0.3 2,-0.5 109,-0.1 107,-0.1 -0.883 31.8 163.3-111.4 100.6 -6.3 57.6 -63.5 19 27 A E - 0 0 82 -2,-0.7 -8,-2.3 -8,-0.3 2,-0.2 -0.967 28.8-139.5-121.5 117.9 -5.0 61.1 -62.7 20 28 A W E -C 10 0A 5 -2,-0.5 2,-0.3 -10,-0.2 -10,-0.2 -0.519 20.9-170.6 -79.1 137.0 -4.3 62.0 -59.1 21 29 A L E -C 9 0A 37 -12,-2.6 -12,-2.4 -2,-0.2 7,-0.2 -0.968 26.5-173.6-129.2 147.5 -5.3 65.5 -57.8 22 30 A S S S+ 0 0 33 -2,-0.3 2,-2.1 -14,-0.2 5,-0.3 0.598 72.3 88.6-108.0 -19.8 -4.5 67.4 -54.7 23 31 A Q + 0 0 175 -14,-0.1 2,-0.3 3,-0.1 -1,-0.1 -0.417 69.9 97.1 -81.5 63.7 -6.9 70.3 -55.5 24 32 A R S > S- 0 0 81 -2,-2.1 3,-1.6 -3,-0.1 2,-0.1 -0.982 84.5 -90.7-145.8 154.8 -10.0 68.8 -54.0 25 33 A A T 3 S+ 0 0 74 -2,-0.3 3,-0.1 1,-0.3 -2,-0.0 -0.436 116.0 17.2 -63.6 138.4 -11.9 69.1 -50.7 26 34 A N T 3 S+ 0 0 36 1,-0.3 2,-0.3 388,-0.1 -1,-0.3 0.692 101.2 113.9 67.9 21.7 -10.5 66.5 -48.4 27 35 A A < - 0 0 16 -3,-1.6 2,-0.3 -5,-0.3 -1,-0.3 -0.770 47.6-160.6-112.8 160.9 -7.3 65.9 -50.4 28 36 A L E +A 7 0A 30 -21,-2.8 -21,-2.6 -2,-0.3 2,-0.2 -0.997 27.0 165.0-145.8 152.2 -3.8 66.8 -49.1 29 37 A L E +A 6 0A 54 -2,-0.3 2,-0.3 -23,-0.3 -23,-0.2 -0.662 39.5 135.0-165.8 92.2 -0.3 67.4 -50.4 30 38 A A E > +A 5 0A 36 -25,-3.1 -25,-2.1 -2,-0.2 3,-1.6 -0.894 36.0 34.3-144.8 172.2 1.8 69.1 -47.7 31 39 A N T 3 S- 0 0 69 -2,-0.3 -1,-0.1 1,-0.3 3,-0.1 0.777 128.9 -36.3 53.8 37.4 5.0 69.4 -45.8 32 40 A G T 3 S+ 0 0 46 1,-0.4 -1,-0.3 -3,-0.1 2,-0.1 0.155 98.7 131.1 109.9 -24.6 7.3 68.4 -48.6 33 41 A M < - 0 0 11 -3,-1.6 -1,-0.4 -28,-0.2 2,-0.3 -0.422 39.0-163.6 -62.8 141.9 5.3 65.8 -50.5 34 42 A D E -G 41 0B 82 7,-1.6 7,-2.5 -3,-0.1 2,-0.5 -0.924 17.9-147.3-129.9 152.1 5.2 66.5 -54.2 35 43 A L E +G 40 0B 41 -2,-0.3 2,-0.4 5,-0.2 5,-0.2 -0.986 31.0 160.9-119.4 115.4 3.0 65.3 -57.0 36 44 A K E > -G 39 0B 110 3,-2.6 3,-1.7 -2,-0.5 -2,-0.1 -0.991 65.3 -7.5-142.3 128.4 4.9 65.1 -60.3 37 45 A D T 3 S- 0 0 114 -2,-0.4 3,-0.1 1,-0.3 -1,-0.1 0.853 128.6 -56.4 54.4 40.6 4.0 63.2 -63.4 38 46 A N T 3 S+ 0 0 37 1,-0.2 87,-0.4 -18,-0.1 2,-0.3 0.566 117.3 110.2 69.6 15.8 1.2 61.5 -61.6 39 47 A Q E < -G 36 0B 35 -3,-1.7 -3,-2.6 85,-0.1 2,-0.5 -0.907 68.1-125.7-123.8 146.5 3.5 60.2 -58.8 40 48 A L E -GH 35 123B 0 83,-2.4 83,-3.3 -2,-0.3 2,-0.5 -0.816 26.1-158.8 -91.6 124.5 4.0 61.1 -55.2 41 49 A V E -GH 34 122B 25 -7,-2.5 -7,-1.6 -2,-0.5 81,-0.2 -0.902 9.0-138.7-107.2 125.9 7.6 62.0 -54.4 42 50 A V - 0 0 2 79,-1.9 78,-2.7 -2,-0.5 79,-0.2 -0.669 3.3-146.1 -86.4 139.8 8.9 61.8 -50.8 43 51 A P S S+ 0 0 43 0, 0.0 2,-0.3 0, 0.0 76,-0.2 0.534 72.7 16.1 -80.2 -6.9 11.2 64.6 -49.6 44 52 A A S S- 0 0 42 74,-0.2 73,-0.1 77,-0.1 2,-0.1 -0.995 82.0 -86.3-162.2 162.8 13.4 62.5 -47.3 45 53 A D S S+ 0 0 107 -2,-0.3 2,-0.3 73,-0.1 73,-0.2 -0.457 76.1 89.6 -66.8 145.3 14.7 59.1 -46.1 46 54 A G E S-D 117 0A 21 71,-2.3 71,-3.1 -2,-0.1 2,-0.4 -0.923 76.0 -49.0 153.1-179.9 12.3 57.6 -43.6 47 55 A L E -D 116 0A 9 -2,-0.3 101,-2.8 69,-0.2 2,-0.4 -0.737 49.9-178.5 -88.4 135.1 9.3 55.5 -42.8 48 56 A Y E -DE 115 147A 4 67,-2.4 67,-2.6 -2,-0.4 2,-0.6 -0.999 27.5-137.3-138.5 137.0 6.1 56.1 -44.7 49 57 A L E -DE 114 146A 14 97,-2.8 97,-2.8 -2,-0.4 2,-0.4 -0.827 30.3-171.3 -87.1 126.2 2.6 54.6 -44.6 50 58 A V E +DE 113 145A 0 63,-2.9 63,-2.5 -2,-0.6 2,-0.3 -0.982 12.6 158.3-123.6 131.4 1.5 54.2 -48.2 51 59 A Y E -DE 112 144A 1 93,-2.6 93,-3.2 -2,-0.4 2,-0.3 -0.979 13.4-179.9-150.5 161.7 -2.0 53.2 -49.2 52 60 A S E -DE 111 143A 0 59,-2.4 59,-2.6 -2,-0.3 2,-0.4 -0.979 8.7-161.6-163.9 147.0 -4.4 53.4 -52.1 53 61 A Q E -DE 110 142A 1 89,-2.3 89,-2.2 -2,-0.3 2,-0.3 -0.996 8.0-177.7-132.5 140.7 -7.9 52.4 -53.0 54 62 A V E -D 109 0A 0 55,-2.1 55,-2.4 -2,-0.4 2,-0.4 -0.928 12.8-151.1-132.2 154.0 -9.6 52.0 -56.5 55 63 A L E -D 108 0A 0 -2,-0.3 79,-2.4 53,-0.2 2,-0.3 -1.000 11.5-162.7-127.7 128.4 -13.1 51.1 -57.4 56 64 A F E -DF 107 133A 0 51,-2.5 51,-2.4 -2,-0.4 2,-0.3 -0.826 6.5-175.4-109.1 152.8 -14.0 49.3 -60.6 57 65 A K E -D 106 0A 72 75,-2.6 2,-0.3 -2,-0.3 49,-0.2 -0.991 1.9-179.5-146.9 141.8 -17.4 49.1 -62.3 58 66 A G E -D 105 0A 7 47,-1.8 47,-2.3 -2,-0.3 2,-1.0 -0.974 31.6-122.6-142.0 154.5 -18.5 47.2 -65.4 59 67 A Q E S-D 104 0A 107 -2,-0.3 44,-0.1 45,-0.2 43,-0.0 -0.826 77.2 -52.2 -99.1 94.0 -21.7 46.8 -67.3 60 68 A G S S- 0 0 9 43,-1.5 45,-0.2 -2,-1.0 3,-0.2 -0.058 77.3 -73.4 67.9-172.5 -22.3 43.1 -67.2 61 69 A a + 0 0 15 1,-0.1 -1,-0.2 -3,-0.1 3,-0.1 -0.695 49.8 162.9-125.4 76.8 -19.7 40.5 -68.2 62 70 A P S S- 0 0 85 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.864 79.1 -12.8 -60.0 -32.8 -19.3 40.4 -72.1 63 71 A D S S- 0 0 83 -3,-0.2 31,-0.1 31,-0.1 2,-0.0 -0.982 89.4 -67.2-162.3 165.2 -16.0 38.6 -71.4 64 72 A Y - 0 0 46 -2,-0.3 2,-0.4 -3,-0.1 26,-0.0 -0.309 47.7-173.4 -60.1 132.8 -13.5 37.7 -68.7 65 74 A V - 0 0 10 27,-0.2 2,-0.6 -2,-0.0 27,-0.5 -0.986 16.7-152.4-133.2 139.4 -11.5 40.6 -67.2 66 75 A L - 0 0 57 -2,-0.4 2,-0.5 24,-0.1 24,-0.2 -0.968 16.1-161.8-113.5 116.3 -8.5 40.6 -64.8 67 76 A L E -I 89 0B 0 22,-3.2 22,-2.5 -2,-0.6 2,-0.3 -0.857 10.2-179.4-102.1 130.5 -8.3 43.7 -62.7 68 77 A T E -I 88 0B 34 -2,-0.5 60,-1.2 20,-0.2 2,-0.4 -0.932 12.9-168.9-128.7 153.3 -5.1 44.7 -60.9 69 78 A H E +IJ 87 127B 0 18,-1.8 18,-1.9 -2,-0.3 2,-0.4 -0.990 16.3 179.7-138.7 130.0 -4.1 47.6 -58.7 70 79 A T E -IJ 86 126B 23 56,-3.0 56,-2.5 -2,-0.4 2,-0.6 -0.996 24.3-157.2-142.8 135.3 -0.5 48.2 -57.8 71 80 A V E -IJ 85 125B 0 14,-3.0 13,-3.2 -2,-0.4 14,-1.8 -0.972 29.7-175.8-106.8 121.0 1.6 50.7 -55.7 72 81 A S E -IJ 83 124B 6 52,-2.3 52,-1.9 -2,-0.6 2,-0.4 -0.810 21.0-136.5-119.2 162.2 5.1 50.7 -56.9 73 82 A R E -IJ 82 123B 33 9,-3.1 9,-2.5 -2,-0.3 2,-0.7 -0.964 5.0-161.3-118.2 129.3 8.4 52.4 -55.9 74 83 A F E -IJ 81 122B 49 48,-2.6 48,-2.4 -2,-0.4 2,-0.5 -0.951 22.3-144.6-111.3 102.9 10.8 53.9 -58.4 75 84 A A > - 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