==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=13-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER COMPLEX(LYMPHOKINE/RECEPTOR) 09-MAY-94 1TNR . COMPND 2 MOLECULE: TUMOR NECROSIS FACTOR BETA; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR D.W.BANNER . 283 2 10 10 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 16568.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 169 59.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 4 1.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 103 36.4 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, 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 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 7 2.5 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 1.1 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 . 26 9.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 25 8.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 3 1.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 1 0.4 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 . 2 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 . 4 3 5 2 2 1 1 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 7 0 0 1 0 1 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 28 A K 0 0 165 0, 0.0 2,-0.1 0, 0.0 29,-0.1 0.000 360.0 360.0 360.0 -71.5 49.8 47.4 58.6 2 29 A P + 0 0 7 0, 0.0 141,-2.3 0, 0.0 2,-0.3 -0.357 360.0 153.6 -69.7 138.1 46.7 45.1 59.1 3 30 A A E -AB 28 142A 16 25,-1.6 25,-1.5 139,-0.2 2,-0.3 -0.992 18.4-171.5-158.3 153.0 46.0 42.3 56.6 4 31 A A E -AB 27 141A 3 137,-2.8 137,-1.8 -2,-0.3 2,-0.3 -0.991 7.3-172.5-150.2 147.2 44.3 38.9 56.4 5 32 A H E -AB 26 140A 32 21,-2.3 21,-2.3 -2,-0.3 2,-0.3 -0.947 17.2-176.3-140.1 122.2 44.1 36.1 53.9 6 33 A L E - B 0 139A 0 133,-3.4 133,-2.4 -2,-0.3 2,-0.3 -0.921 12.5-149.5-126.4 149.3 41.6 33.2 54.6 7 34 A I E -CB 19 138A 2 12,-1.9 12,-2.1 -2,-0.3 2,-0.3 -0.784 29.8-103.7-114.6 152.7 40.8 29.9 52.9 8 35 A G E -C 18 0A 0 129,-2.6 10,-0.2 125,-0.4 129,-0.1 -0.602 43.7-112.3 -71.9 133.3 37.5 28.0 52.8 9 36 A D > - 0 0 14 8,-3.1 3,-1.7 -2,-0.3 8,-0.3 -0.584 24.4-157.9 -70.9 110.2 37.8 25.0 55.2 10 37 A P T 3 S+ 0 0 9 0, 0.0 -1,-0.1 0, 0.0 122,-0.1 0.517 84.8 64.5 -69.8 -3.9 37.8 21.8 53.0 11 38 A S T 3 S+ 0 0 64 1,-0.1 2,-0.9 195,-0.0 -2,-0.1 0.599 83.2 81.2 -92.3 -12.7 36.6 19.5 55.7 12 39 A K < - 0 0 80 -3,-1.7 5,-0.2 1,-0.2 3,-0.1 -0.816 60.6-174.8 -94.5 107.2 33.2 21.2 56.1 13 40 A Q S S+ 0 0 147 -2,-0.9 -1,-0.2 1,-0.2 119,-0.0 0.811 75.7 30.8 -73.7 -29.4 31.1 19.7 53.3 14 41 A N S S+ 0 0 118 114,-0.0 2,-0.3 2,-0.0 -1,-0.2 0.443 114.3 51.0-113.2 1.6 27.9 21.7 53.5 15 42 A S S S- 0 0 61 -6,-0.2 2,-0.7 -3,-0.1 -3,-0.1 -0.839 74.0-121.9-132.1 165.8 29.0 25.1 54.8 16 43 A L + 0 0 8 -2,-0.3 2,-0.5 106,-0.1 106,-0.1 -0.854 37.0 173.4-113.6 94.7 31.6 27.8 53.9 17 44 A L - 0 0 62 -2,-0.7 -8,-3.1 -8,-0.3 2,-0.3 -0.908 21.7-142.2-105.4 126.8 33.8 28.3 56.9 18 45 A W E +C 8 0A 10 -2,-0.5 2,-0.3 -10,-0.2 -10,-0.2 -0.579 23.5 178.6 -85.7 142.3 36.9 30.6 56.7 19 46 A R E -C 7 0A 40 -12,-2.1 -12,-1.9 -2,-0.3 3,-0.1 -0.979 26.1-164.3-143.7 159.6 40.1 29.6 58.5 20 47 A A + 0 0 18 -2,-0.3 7,-0.1 -14,-0.2 -1,-0.1 0.286 67.3 87.6-129.4 17.5 43.6 30.9 59.0 21 48 A N S S+ 0 0 82 5,-0.1 180,-0.5 179,-0.0 2,-0.3 0.329 81.9 54.3-102.1 10.7 45.7 28.1 60.5 22 49 A T B > S-g 201 0B 2 178,-0.2 3,-1.8 -3,-0.1 180,-0.2 -0.931 96.9 -6.2-142.0 162.9 46.8 26.3 57.3 23 50 A D T 3 S- 0 0 23 178,-2.8 176,-0.1 -2,-0.3 179,-0.0 -0.198 120.8 -28.8 53.8-138.8 48.6 26.8 54.0 24 51 A R T 3 S+ 0 0 198 2,-0.0 -1,-0.2 175,-0.0 2,-0.1 0.202 100.6 124.0 -96.9 19.8 49.4 30.5 53.3 25 52 A A < + 0 0 2 -3,-1.8 2,-0.3 -21,-0.0 -19,-0.2 -0.411 34.5 157.3 -76.0 155.8 46.4 31.9 55.2 26 53 A F E -A 5 0A 86 -21,-2.3 -21,-2.3 -7,-0.1 2,-0.3 -0.990 35.2-145.3-171.9 165.7 47.1 34.5 57.9 27 54 A L E +A 4 0A 67 -2,-0.3 2,-0.3 -23,-0.2 -23,-0.2 -0.984 26.1 170.7-139.4 137.9 46.1 37.4 60.2 28 55 A Q E > +A 3 0A 96 -25,-1.5 -25,-1.6 -2,-0.3 3,-0.6 -0.986 51.2 14.3-154.6 145.6 48.3 40.2 61.3 29 56 A D T 3 S- 0 0 81 -2,-0.3 3,-0.1 1,-0.2 -1,-0.1 0.797 128.7 -36.0 66.2 33.7 48.1 43.5 63.0 30 57 A G T 3 S+ 0 0 49 1,-0.4 -1,-0.2 -29,-0.1 2,-0.2 0.322 93.8 129.3 110.3 -16.4 44.6 43.4 64.5 31 58 A F < + 0 0 10 -3,-0.6 -1,-0.4 -28,-0.2 2,-0.3 -0.553 35.2 171.8 -71.9 147.4 42.5 41.5 62.0 32 59 A S E -H 39 0C 52 7,-0.6 7,-2.0 -2,-0.2 2,-0.6 -0.972 31.7-117.7-153.9 163.7 40.6 38.7 63.7 33 60 A L E +H 38 0C 65 -2,-0.3 2,-0.3 5,-0.2 5,-0.2 -0.907 34.7 156.1-112.5 106.3 37.9 36.1 63.1 34 61 A S E > S-H 37 0C 42 3,-1.3 3,-3.8 -2,-0.6 -2,-0.1 -0.890 75.0 -3.9-116.5 163.6 34.6 36.0 65.1 35 62 A N T 3 S- 0 0 154 -2,-0.3 -1,-0.2 1,-0.3 3,-0.1 0.739 127.1 -60.8 17.4 60.9 31.3 34.4 63.8 36 63 A N T 3 S+ 0 0 60 1,-0.2 86,-0.4 -3,-0.1 -1,-0.3 0.728 116.1 112.8 49.2 27.7 33.0 33.6 60.4 37 64 A S E < -H 34 0C 15 -3,-3.8 -3,-1.3 84,-0.1 2,-0.5 -0.856 69.0-122.0-127.9 153.5 33.5 37.4 59.9 38 65 A L E -HI 33 120C 0 82,-2.4 82,-2.5 -2,-0.3 2,-0.6 -0.888 25.4-143.8 -97.4 133.6 36.6 39.6 59.7 39 66 A L E -HI 32 119C 52 -7,-2.0 -7,-0.6 -2,-0.5 80,-0.2 -0.900 13.9-128.9-100.2 120.5 36.6 42.3 62.2 40 67 A V - 0 0 1 78,-2.8 77,-3.2 -2,-0.6 78,-0.1 -0.566 17.4-162.1 -72.8 118.2 38.1 45.6 61.0 41 68 A P + 0 0 25 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.809 66.2 10.8 -71.4 -35.1 40.7 46.8 63.6 42 69 A T S S- 0 0 63 73,-0.1 72,-0.1 74,-0.1 75,-0.0 -0.990 82.9 -94.5-146.0 157.3 41.0 50.4 62.7 43 70 A S S S+ 0 0 71 -2,-0.3 2,-0.3 72,-0.1 72,-0.3 -0.350 72.3 87.3 -68.4 145.7 39.4 53.0 60.5 44 71 A G E S-D 114 0A 33 70,-2.7 70,-3.2 2,-0.0 2,-0.5 -0.956 76.2 -45.6 157.4-170.0 40.9 53.4 57.1 45 72 A I E -D 113 0A 71 -2,-0.3 99,-3.1 68,-0.2 2,-0.4 -0.831 51.1-175.9-100.3 129.4 40.9 52.3 53.5 46 73 A Y E -DE 112 143A 0 66,-2.6 66,-2.7 -2,-0.5 2,-0.6 -0.914 25.8-139.1-126.9 144.1 41.0 48.6 52.7 47 74 A F E -DE 111 142A 58 95,-3.1 95,-1.9 -2,-0.4 2,-0.4 -0.889 28.8-166.0 -95.9 125.9 41.2 46.5 49.6 48 75 A V E +DE 110 141A 0 62,-3.0 62,-1.7 -2,-0.6 2,-0.3 -0.972 11.4 171.7-117.8 135.6 38.8 43.6 50.1 49 76 A Y E +DE 109 140A 33 91,-3.1 91,-3.0 -2,-0.4 2,-0.3 -0.976 11.4 172.3-144.5 157.0 38.8 40.5 47.9 50 77 A S E -DE 108 139A 0 58,-2.2 58,-1.9 -2,-0.3 2,-0.3 -0.995 8.3-164.9-160.9 150.0 37.4 37.0 47.4 51 78 A Q E -DE 107 138A 39 87,-2.4 87,-1.3 -2,-0.3 2,-0.3 -0.998 5.3-178.7-138.8 145.7 37.3 34.1 45.0 52 79 A V E -D 106 0A 0 54,-2.0 54,-2.6 -2,-0.3 2,-0.4 -0.969 9.3-159.8-139.1 151.5 35.1 31.0 44.6 53 80 A V E -D 105 0A 8 -2,-0.3 78,-2.5 52,-0.2 2,-0.3 -0.997 12.4-166.1-132.5 132.4 35.2 28.1 42.1 54 81 A F E +DF 104 130A 0 50,-2.5 50,-2.5 -2,-0.4 2,-0.3 -0.914 8.4 175.1-120.5 156.7 32.2 25.9 41.5 55 82 A S E +D 103 0A 6 74,-2.4 2,-0.3 -2,-0.3 48,-0.2 -0.930 4.9 156.0-150.3 166.5 31.7 22.5 39.7 56 83 A G E -D 102 0A 6 46,-1.4 46,-1.9 -2,-0.3 2,-0.2 -0.977 25.8-145.4-177.2 174.8 29.0 19.9 39.0 57 84 A K - 0 0 35 -2,-0.3 2,-0.4 44,-0.2 41,-0.1 -0.703 22.2-134.7-162.3 103.1 27.8 17.1 36.8 58 85 A A B -l 98 0D 10 39,-0.5 41,-2.6 42,-0.4 42,-0.1 -0.497 19.9-175.4 -64.2 117.1 24.1 16.4 36.1 59 86 A Y + 0 0 141 -2,-0.4 -1,-0.2 39,-0.2 39,-0.0 0.721 64.7 41.6 -86.9 -24.8 23.5 12.6 36.4 60 87 A S S >> S- 0 0 51 1,-0.1 3,-0.6 38,-0.0 4,-0.5 -0.861 81.7-117.0-126.4 157.2 19.9 12.6 35.4 61 88 A P G >4 S+ 0 0 95 0, 0.0 3,-0.7 0, 0.0 4,-0.5 0.767 111.6 66.3 -62.0 -26.6 17.7 14.3 32.7 62 89 A K G >> S+ 0 0 183 1,-0.2 3,-1.3 2,-0.2 4,-0.6 0.932 98.2 53.3 -60.0 -42.4 15.7 16.1 35.5 63 90 A A G <4 S+ 0 0 42 -3,-0.6 -1,-0.2 1,-0.2 -5,-0.1 0.656 101.3 60.0 -67.2 -18.4 18.8 18.0 36.5 64 91 A T G << S+ 0 0 50 -3,-0.7 -1,-0.2 -4,-0.5 -2,-0.2 0.580 90.9 73.1 -88.6 -8.3 19.4 19.3 32.9 65 92 A S T <4 S+ 0 0 91 -3,-1.3 -2,-0.2 -4,-0.5 -1,-0.1 0.977 96.6 36.8 -68.8 -65.5 16.0 21.1 32.7 66 93 A S S < S- 0 0 88 -4,-0.6 -1,-0.1 1,-0.1 0, 0.0 -0.721 84.0-116.8 -96.6 145.9 16.4 24.1 35.0 67 94 A P - 0 0 49 0, 0.0 2,-0.4 0, 0.0 28,-0.2 -0.047 22.0-118.3 -70.6 174.6 19.6 26.2 35.3 68 95 A L E -J 94 0C 45 26,-2.5 26,-2.8 2,-0.0 2,-0.5 -0.960 17.4-144.4-117.6 131.9 21.7 26.7 38.4 69 96 A Y E -J 93 0C 108 -2,-0.4 2,-0.4 24,-0.2 24,-0.2 -0.892 19.2-173.2 -98.6 126.3 22.2 30.2 39.9 70 97 A L E +J 92 0C 0 22,-2.8 22,-2.1 -2,-0.5 2,-0.3 -0.981 11.4 160.3-121.7 132.3 25.7 30.8 41.4 71 98 A A E -JK 91 125C 2 54,-2.3 54,-2.7 -2,-0.4 2,-0.4 -0.998 19.0-172.9-151.5 147.3 26.6 33.9 43.3 72 99 A H E +JK 90 124C 2 18,-2.0 18,-2.7 -2,-0.3 2,-0.3 -0.990 16.4 174.5-137.2 146.9 29.2 35.0 45.8 73 100 A E E -JK 89 123C 35 50,-1.5 50,-2.1 -2,-0.4 2,-0.5 -0.998 26.9-138.9-158.1 143.0 29.1 38.3 47.5 74 101 A V E -JK 88 122C 0 14,-2.5 13,-3.4 -2,-0.3 14,-1.4 -0.948 28.6-168.2-107.5 122.9 31.0 40.3 50.2 75 102 A Q E -JK 86 121C 35 46,-3.1 46,-2.5 -2,-0.5 2,-0.4 -0.870 11.3-141.6-114.5 156.4 28.8 42.2 52.7 76 103 A L E -JK 85 120C 26 9,-3.3 9,-2.5 -2,-0.3 2,-0.5 -0.849 7.3-167.4-117.7 139.2 29.5 44.8 55.3 77 104 A F E + K 0 119C 70 42,-2.2 42,-2.3 -2,-0.4 2,-0.3 -0.927 22.1 168.5-127.6 101.4 27.9 45.2 58.7 78 105 A S > - 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