==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER CYTOKINE 22-JUN-07 2QE3 . COMPND 2 MOLECULE: TNF SUPERFAMILY LIGAND TL1A; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR C.ZHAN,Q.YAN,Y.PATSKOVSKY,W.SHI,R.TORO,J.BONANNO,S.G.NATHENS . 140 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 7966.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 85 60.7 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 . 60 42.9 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 . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 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 . 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 . 17 12.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 7 5.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 1 0.7 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 1 2 0 1 2 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 0 1 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 23 A A 0 0 165 0, 0.0 2,-0.4 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 87.7 12.7 13.1 22.7 2 24 A D + 0 0 140 2,-0.0 3,-0.1 1,-0.0 0, 0.0 -0.907 360.0 94.9-105.8 132.4 11.8 16.2 20.4 3 25 A G + 0 0 24 -2,-0.4 -1,-0.0 1,-0.1 32,-0.0 0.414 18.3 163.3 110.6 106.9 8.5 16.7 18.4 4 26 A D + 0 0 86 31,-0.0 -1,-0.1 30,-0.0 3,-0.0 -0.928 46.5 156.8 64.7 -12.8 6.0 18.2 19.0 5 27 A K - 0 0 58 -3,-0.1 2,-0.1 1,-0.1 31,-0.1 -0.616 51.4 -96.2 -74.6 142.6 5.8 17.7 15.3 6 28 A P + 0 0 0 0, 0.0 135,-2.4 0, 0.0 2,-0.3 -0.358 54.4 165.6 -66.1 138.8 2.2 17.7 13.8 7 29 A R E +AB 34 140A 93 27,-1.3 27,-2.2 133,-0.2 2,-0.3 -0.998 13.7 178.0-161.4 138.8 0.6 14.4 13.4 8 30 A A E -AB 33 139A 3 131,-2.3 131,-2.6 -2,-0.3 2,-0.5 -0.968 13.1-171.2-156.6 133.2 -2.7 12.9 12.8 9 31 A H E -AB 32 138A 34 23,-2.0 23,-2.0 -2,-0.3 2,-0.4 -0.959 18.7-171.7-120.7 114.6 -4.4 9.6 12.3 10 32 A L E - B 0 137A 0 127,-3.6 127,-2.5 -2,-0.5 2,-0.3 -0.827 3.6-157.5-111.6 149.9 -8.0 9.6 11.2 11 33 A T E -CB 25 136A 2 14,-1.9 14,-2.6 -2,-0.4 125,-0.2 -0.793 22.4 -92.5-126.8 162.1 -10.4 6.8 11.0 12 34 A V + 0 0 9 123,-2.0 2,-0.3 -2,-0.3 12,-0.1 -0.183 37.1 169.3 -75.7 156.1 -13.7 6.0 9.1 13 35 A V - 0 0 41 10,-0.4 2,-0.3 12,-0.0 10,-0.2 -0.918 50.1 -61.8-151.1 170.8 -17.3 6.5 10.2 14 36 A R - 0 0 180 -2,-0.3 2,-0.4 115,-0.1 114,-0.0 -0.410 57.2-134.3 -62.9 116.2 -20.8 6.3 8.7 15 37 A Q - 0 0 37 -2,-0.3 -1,-0.1 109,-0.2 114,-0.0 -0.621 15.8-158.0 -75.0 132.8 -20.9 9.0 6.0 16 38 A T 0 0 93 -2,-0.4 7,-0.1 1,-0.0 -1,-0.0 -0.572 360.0 360.0 -88.6 165.8 -23.9 11.2 5.9 17 39 A P 0 0 183 0, 0.0 -2,-0.1 0, 0.0 -1,-0.0 0.656 360.0 360.0 -52.8 360.0 -24.9 13.1 2.6 18 ! 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 19 47 A F 0 0 146 0, 0.0 103,-0.1 0, 0.0 104,-0.1 0.000 360.0 360.0 360.0 115.0 -15.8 13.5 -6.3 20 48 A P - 0 0 61 0, 0.0 101,-2.1 0, 0.0 2,-0.4 -0.028 360.0-133.1 -53.5 142.2 -17.2 13.4 -2.8 21 49 A A B -G 120 0B 18 99,-0.2 99,-0.3 1,-0.0 2,-0.1 -0.803 18.4-128.0 -87.9 139.1 -14.9 13.9 0.2 22 50 A L - 0 0 0 97,-2.1 97,-0.4 -2,-0.4 2,-0.3 -0.439 16.5-139.7 -75.6 157.3 -15.1 11.5 3.2 23 51 A H - 0 0 43 -10,-0.2 -10,-0.4 -2,-0.1 2,-0.3 -0.830 24.3-141.0-114.7 168.0 -15.5 12.8 6.7 24 52 A W - 0 0 10 -2,-0.3 2,-0.3 -12,-0.1 -12,-0.2 -0.900 21.5-123.0-141.3 145.0 -13.7 11.4 9.7 25 53 A E B +C 11 0A 36 -14,-2.6 -14,-1.9 -2,-0.3 7,-0.2 -0.685 33.9 169.3 -72.3 147.8 -13.4 10.3 13.3 26 54 A H + 0 0 58 -2,-0.3 7,-0.2 5,-0.2 -17,-0.1 0.287 66.0 22.1-150.7 -2.4 -10.5 12.1 14.9 27 55 A E S S+ 0 0 138 5,-0.2 2,-0.1 1,-0.1 -2,-0.1 0.495 98.7 82.4-144.0 -29.5 -10.5 11.6 18.7 28 56 A L S > S- 0 0 106 2,-0.1 3,-1.9 -17,-0.1 -17,-0.1 -0.463 97.7 -10.1 -84.1 159.1 -12.3 8.5 19.6 29 57 A G T 3 S- 0 0 68 1,-0.3 -3,-0.0 -2,-0.1 0, 0.0 -0.343 133.2 -19.2 55.7-123.9 -10.8 5.0 19.4 30 58 A L T 3 S+ 0 0 112 -2,-0.1 -1,-0.3 2,-0.0 2,-0.1 0.473 110.5 103.4 -91.8 -5.9 -7.5 5.1 17.7 31 59 A A < + 0 0 5 -3,-1.9 2,-0.3 -23,-0.1 -21,-0.2 -0.398 41.8 152.0 -77.4 160.9 -7.8 8.4 15.9 32 60 A F E -A 9 0A 82 -23,-2.0 -23,-2.0 -7,-0.2 2,-0.4 -0.966 31.3-150.3-170.0 158.7 -6.2 11.5 17.1 33 61 A T E +A 8 0A 45 -2,-0.3 2,-0.3 -25,-0.2 -25,-0.2 -0.995 25.6 169.6-131.8 150.4 -4.7 14.8 16.1 34 62 A K E > +A 7 0A 106 -27,-2.2 -27,-1.3 -2,-0.4 3,-0.6 -0.961 45.1 35.8-152.2 168.1 -1.9 16.5 17.9 35 63 A N T 3 S- 0 0 49 -2,-0.3 -1,-0.2 1,-0.2 3,-0.1 0.901 127.7 -44.6 47.6 50.1 0.5 19.4 17.7 36 64 A R T 3 S+ 0 0 142 1,-0.3 2,-0.3 -3,-0.1 -1,-0.2 0.571 94.8 144.4 89.3 12.6 -1.6 22.0 16.0 37 65 A M < - 0 0 11 -3,-0.6 2,-0.5 -30,-0.2 -1,-0.3 -0.644 36.1-151.0 -82.1 138.1 -3.1 19.7 13.4 38 66 A N E -H 45 0B 77 7,-1.6 7,-3.5 -2,-0.3 2,-0.9 -0.944 16.8-168.4-120.0 124.7 -6.6 20.5 12.7 39 67 A Y E +H 44 0B 28 -2,-0.5 2,-0.3 5,-0.2 5,-0.2 -0.869 34.2 141.1-100.0 111.0 -9.3 18.3 11.5 40 68 A T E > +H 43 0B 69 3,-2.1 3,-1.1 -2,-0.9 -2,-0.1 -0.988 59.1 3.3-153.6 137.0 -12.2 20.4 10.4 41 69 A N T 3 S- 0 0 111 -2,-0.3 -1,-0.1 1,-0.3 3,-0.1 0.885 130.0 -53.6 61.7 41.0 -14.8 20.4 7.7 42 70 A K T 3 S+ 0 0 84 1,-0.2 77,-0.4 -18,-0.1 2,-0.4 0.603 117.2 115.3 72.3 10.4 -13.4 17.0 6.3 43 71 A F E < -H 40 0B 29 -3,-1.1 -3,-2.1 75,-0.1 2,-0.7 -0.876 64.9-139.0-116.9 155.3 -10.0 18.6 6.1 44 72 A L E -HI 39 117B 0 73,-3.6 73,-2.0 -2,-0.4 2,-0.7 -0.885 26.7-151.8 -99.1 123.4 -6.7 18.2 7.5 45 73 A L E -HI 38 116B 52 -7,-3.5 -7,-1.6 -2,-0.7 71,-0.2 -0.849 7.8-138.9-104.9 113.5 -5.4 21.6 8.1 46 74 A I - 0 0 1 69,-2.4 68,-3.5 -2,-0.7 69,-0.1 -0.440 15.2-171.9 -70.0 119.9 -1.6 21.9 8.0 47 75 A P + 0 0 20 0, 0.0 2,-0.3 0, 0.0 66,-0.2 0.407 67.1 34.2 -92.2 2.8 -0.1 24.1 10.6 48 76 A E S S- 0 0 74 64,-0.2 2,-0.2 2,-0.1 63,-0.1 -0.935 80.0-116.9-160.4 131.6 3.5 24.3 9.6 49 77 A S + 0 0 53 -2,-0.3 2,-0.3 64,-0.1 63,-0.2 -0.513 66.7 98.6 -73.3 139.3 5.1 24.4 6.2 50 78 A G E S-D 111 0A 25 61,-2.2 61,-2.8 -2,-0.2 2,-0.6 -0.977 76.5 -53.9 169.6-173.0 7.3 21.3 5.7 51 79 A D E -D 110 0A 74 -2,-0.3 91,-3.0 91,-0.3 2,-0.3 -0.834 53.0-173.3 -98.2 127.1 7.5 17.9 4.3 52 80 A Y E -DE 109 141A 0 57,-3.7 57,-2.9 -2,-0.6 2,-0.5 -0.858 21.7-138.2-114.7 149.9 4.8 15.5 5.3 53 81 A F E -DE 108 140A 60 87,-2.5 87,-2.5 -2,-0.3 2,-0.3 -0.932 29.8-165.1-105.1 137.3 4.2 11.9 4.7 54 82 A I E +DE 107 139A 0 53,-3.5 53,-1.5 -2,-0.5 2,-0.3 -0.909 11.4 169.8-125.9 145.3 0.6 11.2 3.9 55 83 A Y E +DE 106 138A 35 83,-3.5 83,-4.3 -2,-0.3 2,-0.3 -0.995 12.0 167.6-155.4 154.1 -1.6 8.2 3.8 56 84 A S E -DE 105 137A 1 49,-2.5 49,-3.4 -2,-0.3 2,-0.4 -0.948 11.0-165.1-156.3 144.7 -4.9 6.6 3.5 57 85 A Q E -DE 104 136A 41 79,-1.4 79,-3.1 -2,-0.3 2,-0.5 -0.986 10.3-170.7-115.0 137.1 -6.4 3.3 2.9 58 86 A V E -D 103 0A 0 45,-2.6 45,-1.5 -2,-0.4 2,-0.5 -0.986 12.2-148.6-116.7 133.3 -10.0 3.0 1.9 59 87 A T E -D 102 0A 14 -2,-0.5 69,-2.7 69,-0.3 2,-0.4 -0.831 14.7-161.5 -96.3 135.8 -11.6 -0.3 1.9 60 88 A F E -DF 101 127A 0 41,-4.8 41,-2.9 -2,-0.5 2,-0.3 -0.909 9.6-179.3-110.5 142.4 -14.4 -0.7 -0.7 61 89 A R E D 100 0A 88 65,-3.0 39,-0.3 -2,-0.4 37,-0.0 -0.990 360.0 360.0-140.2 151.7 -17.1 -3.4 -0.7 62 90 A G 0 0 48 37,-3.1 64,-0.0 -2,-0.3 65,-0.0 -0.373 360.0 360.0 -71.7 360.0 -20.1 -4.3 -2.9 63 ! 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 64 106 A K 0 0 213 0, 0.0 2,-0.3 0, 0.0 -2,-0.0 0.000 360.0 360.0 360.0 -3.3 -22.3 -3.3 -11.3 65 107 A P - 0 0 43 0, 0.0 27,-0.2 0, 0.0 3,-0.1 -0.828 360.0-140.1-107.1 167.8 -19.6 -0.5 -11.1 66 108 A D S S- 0 0 138 1,-0.3 26,-2.1 -2,-0.3 2,-0.3 0.889 70.7 -11.6 -88.5 -42.3 -16.5 -0.0 -13.3 67 109 A S E -J 91 0B 50 24,-0.3 2,-0.3 2,-0.0 -1,-0.3 -0.982 50.6-133.6-155.6 156.7 -13.9 1.1 -11.0 68 110 A I E -J 90 0B 0 22,-2.9 22,-2.8 -2,-0.3 2,-0.4 -0.914 27.2-176.7-113.3 155.2 -13.0 2.3 -7.6 69 111 A T E -J 89 0B 8 -2,-0.3 53,-1.7 20,-0.2 2,-0.4 -0.997 14.6-162.8-154.1 135.2 -10.7 5.3 -7.0 70 112 A V E -JK 88 121B 1 18,-3.3 18,-1.8 -2,-0.4 2,-0.4 -0.980 9.5-174.9-119.4 143.0 -9.2 7.2 -4.1 71 113 A V E -JK 87 120B 5 49,-3.0 49,-3.1 -2,-0.4 2,-0.5 -0.994 14.4-157.7-131.7 135.2 -7.7 10.6 -4.2 72 114 A I E -JK 86 119B 0 14,-2.3 14,-1.8 -2,-0.4 13,-1.7 -0.948 29.1-166.5-106.4 132.8 -5.9 12.5 -1.6 73 115 A T E -JK 84 118B 7 45,-2.8 45,-1.9 -2,-0.5 2,-0.5 -0.917 18.9-145.1-141.1 136.7 -6.1 16.1 -2.4 74 116 A K E -JK 83 117B 42 9,-3.3 9,-3.2 -2,-0.4 2,-0.4 -0.820 13.4-171.3-107.0 138.5 -4.6 19.3 -1.5 75 117 A V E + K 0 116B 29 41,-2.9 41,-2.8 -2,-0.5 2,-0.3 -0.989 7.6 170.8-130.3 131.0 -6.2 22.6 -1.3 76 118 A T - 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