==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=14-JUN-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LYMPHOKINE 06-OCT-93 2TUN . COMPND 2 MOLECULE: TUMOR NECROSIS FACTOR-ALPHA; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR P.SALUDJIAN,T.PRANGE . 906 6 6 6 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 35244.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 588 64.9 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 . 336 37.1 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 3 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 8 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 . 3 0.3 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 . 172 19.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 40 4.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 3 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 1 0.1 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 . 13 18 6 7 5 6 4 3 0 0 0 0 1 2 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 3 2 0 6 3 1 0 0 1 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 7 A T 0 0 105 0, 0.0 2,-0.3 0, 0.0 422,-0.0 0.000 360.0 360.0 360.0 148.2 116.6 69.6 34.1 2 8 A P > - 0 0 32 0, 0.0 3,-0.7 0, 0.0 0, 0.0 -0.687 360.0 -30.7 -93.3 145.2 114.0 69.1 36.9 3 9 A S T 3 S- 0 0 68 -2,-0.3 30,-0.2 1,-0.2 0, 0.0 0.296 89.1 -58.3 43.4-160.6 113.1 65.6 38.1 4 10 A D T 3 S+ 0 0 132 28,-0.1 -1,-0.2 2,-0.1 28,-0.0 -0.169 82.2 141.2-103.7 27.5 112.9 62.2 36.3 5 11 A K < - 0 0 56 -3,-0.7 2,-0.7 1,-0.1 28,-0.1 -0.728 56.2-124.5 -88.8 112.4 110.4 63.5 33.7 6 12 A P + 0 0 3 0, 0.0 144,-0.8 0, 0.0 2,-0.3 -0.328 42.1 168.4 -58.4 99.7 111.0 62.1 30.2 7 13 A V E +A 149 0A 4 -2,-0.7 25,-2.0 142,-0.2 142,-0.2 -0.826 9.4 174.7-111.8 149.7 111.3 65.2 28.1 8 14 A A E +AB 148 31A 2 140,-1.4 140,-0.8 -2,-0.3 2,-0.6 -0.661 6.9 177.9-165.9 103.5 112.6 65.2 24.5 9 15 A H E +AB 147 30A 5 21,-0.9 21,-0.6 -2,-0.2 2,-0.3 -0.933 15.5 171.4-113.2 110.4 112.7 68.2 22.2 10 16 A V E -A 146 0A 0 136,-2.0 136,-0.6 -2,-0.6 14,-0.2 -0.919 15.5-158.1-123.7 148.6 114.2 67.5 18.7 11 17 A V E -F 23 0B 8 12,-2.8 12,-3.5 -2,-0.3 2,-0.4 -0.472 35.1 -83.4-108.9 179.3 114.4 69.5 15.5 12 18 A A E -F 22 0B 1 10,-0.2 10,-0.2 -2,-0.2 8,-0.1 -0.757 40.0-118.4 -94.3 136.7 115.0 68.5 11.9 13 19 A N - 0 0 24 8,-3.6 8,-0.4 -2,-0.4 3,-0.3 -0.654 16.9-161.3 -78.5 104.1 118.5 67.8 10.6 14 20 A P S S+ 0 0 60 0, 0.0 2,-1.1 0, 0.0 -1,-0.2 0.814 87.8 62.5 -54.0 -35.6 119.2 70.3 7.8 15 21 A Q S S+ 0 0 75 1,-0.2 -2,-0.1 2,-0.1 0, 0.0 -0.510 79.3 88.3 -93.8 62.9 122.1 68.0 6.6 16 22 A A S > S- 0 0 3 -2,-1.1 3,-1.0 -3,-0.3 -1,-0.2 -0.318 76.6-143.9-153.4 51.3 119.9 65.0 5.7 17 23 A E T 3 S- 0 0 66 1,-0.3 569,-0.5 568,-0.1 117,-0.1 0.168 77.7 -6.0 -29.3 123.6 118.9 65.7 2.1 18 24 A G T 3 S+ 0 0 13 115,-0.2 458,-0.5 567,-0.1 2,-0.3 0.845 118.1 93.4 49.5 47.1 115.4 64.6 1.4 19 25 A Q S < S- 0 0 8 -3,-1.0 2,-1.4 114,-0.2 456,-0.2 -0.887 73.9-129.7-165.8 130.8 114.9 63.0 4.8 20 26 A L - 0 0 1 454,-0.3 2,-0.5 -2,-0.3 108,-0.1 -0.719 33.4-179.9 -89.5 90.6 113.5 64.2 8.1 21 27 A Q - 0 0 12 -2,-1.4 -8,-3.6 -8,-0.4 2,-0.5 -0.826 23.6-135.0 -92.4 122.0 116.3 63.2 10.4 22 28 A W E -F 12 0B 3 -2,-0.5 2,-0.4 -10,-0.2 -10,-0.2 -0.781 27.6-165.6 -86.8 121.5 115.4 64.3 14.0 23 29 A L E -F 11 0B 29 -12,-3.5 -12,-2.8 -2,-0.5 3,-0.1 -0.881 16.6-173.6-121.3 148.0 118.2 66.0 15.8 24 30 A N + 0 0 30 -2,-0.4 3,-0.1 -14,-0.2 -14,-0.1 0.020 61.1 71.0-102.4-155.2 119.1 66.9 19.4 25 31 A R S S+ 0 0 192 1,-0.2 2,-0.1 -2,-0.1 -1,-0.1 0.625 82.3 117.3 40.3 29.9 122.1 69.0 20.8 26 32 A R S > S- 0 0 89 -3,-0.1 3,-2.2 115,-0.0 -1,-0.2 -0.365 84.6 -50.9-106.1-177.2 120.5 72.1 19.2 27 33 A A T 3 S+ 0 0 75 1,-0.3 -2,-0.0 -2,-0.1 -3,-0.0 0.524 134.1 0.6 -30.7 -31.7 119.1 75.4 20.6 28 34 A N T 3 S+ 0 0 27 -19,-0.2 2,-0.6 394,-0.0 -1,-0.3 -0.100 83.4 163.1-159.9 40.5 116.8 73.7 23.1 29 35 A A < - 0 0 28 -3,-2.2 2,-0.5 -21,-0.1 -19,-0.1 -0.573 19.6-162.0 -73.9 116.8 117.4 70.0 22.8 30 36 A L E +B 9 0A 14 -2,-0.6 -21,-0.9 -21,-0.6 2,-0.5 -0.905 13.9 178.0-105.8 121.5 116.1 68.1 25.9 31 37 A L E -B 8 0A 77 -2,-0.5 -23,-0.2 -23,-0.2 3,-0.1 -0.909 20.1-178.9-126.3 95.2 117.3 64.6 26.6 32 38 A A > - 0 0 15 -25,-2.0 3,-1.6 -2,-0.5 2,-0.8 -0.067 40.6 -45.6 -87.1-173.7 115.8 63.3 29.8 33 39 A N T 3 S- 0 0 73 1,-0.3 -1,-0.1 -30,-0.2 13,-0.1 -0.451 126.6 -8.3 -59.0 93.2 115.8 60.2 32.0 34 40 A G T 3 S+ 0 0 47 -2,-0.8 2,-0.5 1,-0.3 -1,-0.3 0.372 91.3 143.5 93.7 0.6 115.5 57.2 29.7 35 41 A V < - 0 0 14 -3,-1.6 2,-0.5 -28,-0.1 -1,-0.3 -0.643 33.0-164.0 -74.4 122.7 114.7 59.3 26.5 36 42 A E E -G 43 0C 91 7,-1.1 7,-1.6 -2,-0.5 2,-0.9 -0.955 16.9-157.5-121.9 119.9 116.5 57.5 23.7 37 43 A L E +G 42 0C 19 -2,-0.5 5,-0.1 5,-0.2 4,-0.1 -0.841 35.5 148.8 -95.9 103.5 117.2 59.0 20.3 38 44 A R - 0 0 56 3,-1.1 2,-1.6 -2,-0.9 -1,-0.1 0.393 66.6 -15.1-101.9-127.1 117.5 56.0 18.0 39 45 A D S S- 0 0 53 1,-0.1 2,-1.8 2,-0.1 3,-0.1 -0.551 112.9 -70.0 -87.5 68.0 116.6 55.8 14.3 40 46 A N S S+ 0 0 4 -2,-1.6 -1,-0.1 -18,-0.2 2,-0.1 -0.342 116.0 95.4 77.9 -52.1 114.5 59.0 14.2 41 47 A Q S S- 0 0 36 -2,-1.8 -3,-1.1 1,-0.1 2,-0.4 -0.358 76.6-116.2 -71.5 147.0 111.7 57.4 16.3 42 48 A L E -GH 37 126C 0 84,-1.0 84,-0.7 -5,-0.1 2,-0.4 -0.741 13.5-143.8 -96.0 132.3 111.6 57.8 20.1 43 49 A V E -G 36 0C 28 -7,-1.6 -7,-1.1 -2,-0.4 82,-0.2 -0.805 22.6-125.8 -92.7 126.2 111.9 55.1 22.7 44 50 A V - 0 0 4 -2,-0.4 79,-1.4 77,-0.3 80,-0.2 -0.591 16.2-159.0 -80.5 132.5 109.7 55.5 25.9 45 51 A P - 0 0 26 0, 0.0 -1,-0.1 0, 0.0 -11,-0.1 0.984 69.7 -7.7 -71.1 -69.4 111.5 55.4 29.2 46 52 A S S S- 0 0 58 -13,-0.1 2,-0.3 76,-0.1 -2,-0.1 0.641 91.5 -93.6 -98.9-106.9 109.0 54.5 31.9 47 53 A E + 0 0 68 74,-0.1 2,-0.4 2,-0.1 74,-0.2 -0.957 66.0 31.9-175.2 160.5 105.2 54.3 31.2 48 54 A G S S+ 0 0 0 72,-1.1 2,-0.5 71,-1.1 70,-0.1 -0.757 87.5 42.9 99.9-131.1 101.9 56.1 31.2 49 55 A L + 0 0 21 -2,-0.4 102,-1.5 102,-0.4 2,-0.4 -0.473 60.9 161.7 -66.6 110.9 101.1 59.7 30.5 50 56 A Y E -CD 118 150A 0 68,-1.2 68,-2.4 -2,-0.5 2,-0.6 -0.999 29.1-145.6-136.3 135.2 103.1 61.2 27.6 51 57 A L E -C 117 0A 15 98,-1.7 2,-0.5 -2,-0.4 66,-0.2 -0.923 15.3-164.5-108.4 118.0 102.4 64.3 25.6 52 58 A I E +C 116 0A 0 64,-3.0 64,-2.3 -2,-0.6 2,-0.3 -0.934 16.2 164.6-109.1 117.0 103.4 64.1 22.0 53 59 A Y E +CE 115 147A 7 94,-1.3 94,-1.2 -2,-0.5 2,-0.3 -0.966 6.3 169.4-134.5 147.5 103.6 67.3 19.9 54 60 A S E -CE 114 146A 0 60,-2.2 60,-1.9 -2,-0.3 2,-0.3 -0.930 15.2-161.5-164.4 135.6 105.2 68.3 16.6 55 61 A Q E -CE 113 145A 0 90,-0.6 90,-0.9 -2,-0.3 2,-0.4 -0.854 7.0-165.8-114.8 147.9 105.2 71.2 14.2 56 62 A V E -CE 112 144A 0 56,-0.9 56,-2.1 -2,-0.3 2,-1.6 -0.888 11.2-151.7-142.4 107.9 106.3 70.9 10.5 57 63 A L - 0 0 8 86,-1.1 80,-1.7 -2,-0.4 2,-1.1 -0.623 13.0-169.6 -80.5 84.5 107.0 74.1 8.5 58 64 A F B -K 136 0D 1 -2,-1.6 52,-3.1 52,-0.4 2,-0.2 -0.700 16.0-177.3 -79.7 101.4 106.1 73.0 5.0 59 65 A K E -L 109 0E 54 76,-1.5 2,-0.3 -2,-1.1 50,-0.3 -0.592 9.3-172.6 -97.3 159.2 107.6 76.0 3.0 60 66 A G E -L 108 0E 3 48,-2.2 48,-0.5 -2,-0.2 3,-0.1 -0.956 24.0-154.4-156.6 137.4 107.4 76.6 -0.8 61 67 A Q S S- 0 0 140 -2,-0.3 2,-0.2 1,-0.3 48,-0.1 0.189 83.8 -10.9 -97.3 12.7 108.9 79.1 -3.2 62 68 A G S S- 0 0 19 44,-0.4 -1,-0.3 43,-0.3 43,-0.2 -0.794 78.5 -95.1 163.8 158.2 106.2 78.8 -5.8 63 69 A a + 0 0 8 41,-0.8 36,-0.2 -2,-0.2 41,-0.1 -0.878 38.4 178.4-106.5 121.1 103.2 76.5 -6.6 64 70 A P - 0 0 39 0, 0.0 2,-0.3 0, 0.0 35,-0.3 0.708 39.0 -20.6 -80.3-123.2 103.7 73.6 -9.0 65 71 A S S S- 0 0 52 456,-0.1 30,-0.1 2,-0.1 0, 0.0 -0.685 81.0 -34.6-112.2 158.1 101.1 71.0 -10.0 66 72 A T S S- 0 0 91 -2,-0.3 2,-0.8 1,-0.1 31,-0.4 0.113 103.0 -11.8 42.1-146.6 97.9 69.3 -9.0 67 73 A H - 0 0 30 1,-0.1 -1,-0.1 29,-0.1 29,-0.1 -0.742 62.1-154.7 -88.0 105.2 96.8 68.6 -5.5 68 74 A V - 0 0 11 -2,-0.8 -1,-0.1 27,-0.4 25,-0.1 0.820 12.1-174.2 -41.0 -64.5 99.7 69.1 -3.1 69 75 A L - 0 0 66 1,-0.2 2,-0.9 26,-0.1 24,-0.2 0.885 2.7-178.5 55.4 57.2 98.9 66.8 -0.2 70 76 A L E -I 92 0C 1 22,-1.5 22,-2.5 61,-0.1 2,-0.2 -0.783 15.5-170.1 -84.5 107.9 101.7 67.6 2.3 71 77 A T E -I 91 0C 20 -2,-0.9 60,-1.0 20,-0.3 61,-0.4 -0.637 19.8-160.9-102.9 161.1 100.9 65.3 5.2 72 78 A H E -IJ 90 130C 0 18,-3.5 18,-1.0 -2,-0.2 2,-0.4 -0.945 17.8-179.2-144.0 112.2 102.4 65.0 8.7 73 79 A T E -IJ 89 129C 18 56,-2.8 56,-2.7 -2,-0.4 2,-0.5 -0.932 17.6-168.2-123.3 141.7 101.9 61.8 10.6 74 80 A I E +IJ 88 128C 0 14,-3.6 14,-2.8 -2,-0.4 13,-2.5 -0.989 20.1 168.0-128.6 117.9 102.8 60.5 14.1 75 81 A S E -IJ 86 127C 3 52,-1.8 52,-2.6 -2,-0.5 2,-0.5 -0.913 26.2-135.0-132.0 155.0 102.5 56.8 14.9 76 82 A R E -IJ 85 126C 9 9,-2.7 9,-2.3 -2,-0.3 2,-0.6 -0.965 8.5-168.5-118.8 125.5 103.5 54.4 17.6 77 83 A I E -IJ 84 125C 36 48,-2.2 48,-1.6 -2,-0.5 7,-0.2 -0.967 30.3-169.4-111.6 103.5 105.1 51.0 17.0 78 84 A V - 0 0 7 3,-0.8 2,-0.2 5,-0.8 46,-0.2 -0.185 27.4 -97.2 -92.8-179.6 105.0 49.3 20.5 79 85 A V S S+ 0 0 75 3,-0.1 2,-2.1 1,-0.1 -1,-0.1 -0.546 110.1 30.0 -89.3 161.4 106.3 46.3 22.4 80 86 A S S S+ 0 0 105 -2,-0.2 2,-0.8 2,-0.1 -1,-0.1 -0.602 131.1 40.3 85.6 -80.2 103.7 43.5 22.6 81 87 A Y S S- 0 0 158 -2,-2.1 2,-2.1 2,-0.1 -3,-0.8 -0.804 82.7-162.0-104.8 85.0 102.3 44.5 19.3 82 88 A Q + 0 0 125 -2,-0.8 2,-0.3 -5,-0.2 -3,-0.1 -0.444 53.0 94.2 -70.6 73.7 105.4 45.4 17.2 83 89 A T S S- 0 0 82 -2,-2.1 2,-1.1 -7,-0.1 -5,-0.8 -0.955 82.4 -94.3-163.3 147.4 103.7 47.4 14.4 84 90 A K E -I 77 0C 62 -2,-0.3 2,-0.5 -7,-0.2 -7,-0.3 -0.570 37.9-179.7 -79.2 96.1 103.0 51.1 13.7 85 91 A V E -I 76 0C 54 -9,-2.3 -9,-2.7 -2,-1.1 208,-0.1 -0.850 35.9-111.2 -92.1 118.7 99.5 52.0 14.9 86 92 A N E +I 75 0C 40 -2,-0.5 -11,-0.3 -11,-0.3 94,-0.2 -0.080 36.1 175.6 -58.6 152.3 98.9 55.7 14.2 87 93 A L E + 0 0 2 -13,-2.5 2,-0.3 1,-0.5 -12,-0.2 0.652 67.1 3.6-116.5 -69.3 98.6 58.3 16.9 88 94 A L E +I 74 0C 0 -14,-2.8 -14,-3.6 205,-0.1 -1,-0.5 -0.861 62.1 173.7-124.6 156.7 98.3 61.7 15.1 89 95 A S E +I 73 0C 11 205,-1.9 2,-0.3 -2,-0.3 -16,-0.2 -0.976 4.1 174.6-160.7 156.7 98.0 62.8 11.4 90 96 A A E -I 72 0C 1 -18,-1.0 -18,-3.5 -2,-0.3 2,-0.4 -0.914 11.1-165.4-170.7 140.4 97.4 65.9 9.3 91 97 A I E -I 71 0C 16 -20,-0.3 2,-0.3 -2,-0.3 -20,-0.3 -0.991 11.5-170.5-130.9 120.3 97.4 66.9 5.6 92 98 A K E -I 70 0C 8 -22,-2.5 -22,-1.5 -2,-0.4 170,-0.2 -0.868 10.1-149.1-116.2 150.0 97.4 70.6 4.5 93 99 A S + 0 0 6 168,-1.5 168,-0.1 -2,-0.3 -2,-0.0 -0.888 25.2 161.1-127.0 104.2 96.9 71.9 1.0 94 100 A P + 0 0 23 0, 0.0 2,-0.4 0, 0.0 -1,-0.1 0.965 56.0 80.9 -74.2 -61.5 98.5 75.0 -0.2 95 101 A a + 0 0 2 1,-0.1 -27,-0.4 -30,-0.1 -26,-0.1 -0.414 35.8 165.8 -65.2 111.2 98.3 74.7 -4.0 96 102 A Q - 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