==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=4-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER CYTOKINE 15-OCT-07 2RJK . COMPND 2 MOLECULE: TNF SUPERFAMILY LIGAND TL1A; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR C.ZHAN,Q.YAN,Y.PATSKOVSKY,W.SHI,U.A.RAMAGOPAL,R.TORO, . 141 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 7950.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 81 57.4 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 . 61 43.3 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 . 12 8.5 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 . 2 2 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 25 A G 0 0 96 0, 0.0 2,-1.3 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0-143.0 47.9 -13.8 -38.5 2 26 A D + 0 0 107 2,-0.0 3,-0.0 34,-0.0 32,-0.0 -0.668 360.0 165.3 -89.2 81.2 47.7 -12.2 -35.1 3 27 A K - 0 0 66 -2,-1.3 34,-0.1 139,-0.1 33,-0.1 -0.801 45.8-103.1 -97.1 136.1 44.0 -13.0 -34.4 4 28 A P + 0 0 0 0, 0.0 138,-2.5 0, 0.0 2,-0.3 -0.406 54.0 166.0 -55.2 135.3 42.7 -12.6 -30.9 5 29 A R E +AB 34 141A 86 29,-1.6 29,-1.8 136,-0.2 2,-0.3 -0.988 14.7 175.1-152.2 145.9 42.3 -16.1 -29.4 6 30 A A E -AB 33 140A 4 134,-2.1 134,-2.2 -2,-0.3 2,-0.4 -0.969 13.5-169.7-152.9 139.0 41.8 -17.6 -25.9 7 31 A H E -AB 32 139A 33 25,-2.0 25,-2.5 -2,-0.3 2,-0.3 -0.985 18.3-171.3-121.0 120.7 41.2 -21.0 -24.4 8 32 A L E - B 0 138A 0 130,-3.6 130,-2.4 -2,-0.4 2,-0.3 -0.827 4.8-156.0-113.9 149.5 40.3 -21.0 -20.7 9 33 A T E -CB 25 137A 2 16,-1.6 16,-3.4 -2,-0.3 128,-0.3 -0.846 26.5 -91.6-127.6 154.2 40.0 -24.0 -18.4 10 34 A V E -C 24 0A 9 126,-2.5 2,-0.3 -2,-0.3 14,-0.2 -0.226 36.8-179.6 -67.9 153.6 38.1 -24.6 -15.2 11 35 A V - 0 0 38 12,-0.6 12,-0.2 121,-0.1 2,-0.1 -0.900 47.9 -73.6-133.6 168.0 39.4 -24.0 -11.6 12 36 A R - 0 0 165 -2,-0.3 2,-0.3 118,-0.1 117,-0.1 -0.459 59.9-121.8 -59.3 132.0 37.7 -24.5 -8.2 13 37 A Q - 0 0 25 112,-0.2 -1,-0.1 -2,-0.1 9,-0.1 -0.595 11.5-127.7 -86.4 140.2 35.2 -21.7 -8.0 14 38 A T - 0 0 92 -2,-0.3 -1,-0.0 1,-0.1 -3,-0.0 -0.809 38.3-109.1 -91.1 122.9 35.4 -19.3 -5.1 15 39 A P 0 0 131 0, 0.0 -1,-0.1 0, 0.0 0, 0.0 -0.114 360.0 360.0 -56.5 136.9 32.0 -19.1 -3.5 16 40 A T 0 0 170 -3,-0.0 -2,-0.0 0, 0.0 -3,-0.0 0.180 360.0 360.0-137.0 360.0 29.9 -16.0 -4.0 17 ! 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 18 46 A Q 0 0 216 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 12.2 21.3 -15.5 -10.1 19 47 A F - 0 0 76 105,-0.1 104,-0.2 102,-0.0 105,-0.1 -0.917 360.0-141.6 -97.7 98.0 23.1 -17.6 -12.8 20 48 A P - 0 0 39 0, 0.0 102,-1.7 0, 0.0 2,-0.3 -0.252 8.9-116.1 -64.7 149.1 26.5 -17.0 -11.4 21 49 A A B -G 121 0B 28 100,-0.2 100,-0.2 1,-0.0 2,-0.2 -0.591 24.8-127.0 -80.7 143.6 29.5 -16.5 -13.7 22 50 A L - 0 0 0 98,-2.8 98,-0.3 -2,-0.3 2,-0.3 -0.600 15.9-143.4 -79.7 154.2 32.3 -18.9 -13.8 23 51 A H - 0 0 34 -2,-0.2 -12,-0.6 -12,-0.2 2,-0.3 -0.898 24.0-155.7-121.9 157.7 35.9 -17.8 -13.3 24 52 A W E -C 10 0A 10 -2,-0.3 2,-0.4 -14,-0.2 -14,-0.2 -0.772 23.8-106.3-135.0 157.4 38.7 -19.5 -15.2 25 53 A E E +C 9 0A 37 -16,-3.4 -16,-1.6 -2,-0.3 7,-0.2 -0.754 34.3 176.1 -78.6 133.6 42.3 -20.4 -15.6 26 54 A H + 0 0 58 -2,-0.4 -19,-0.2 -18,-0.2 -1,-0.1 0.491 67.9 17.4-124.4 -2.6 43.9 -18.3 -18.4 27 55 A E S S+ 0 0 133 5,-0.2 2,-0.2 1,-0.1 6,-0.0 0.565 96.8 86.3-143.4 -19.1 47.6 -19.1 -18.6 28 56 A L S > S- 0 0 106 -19,-0.1 3,-1.7 2,-0.1 2,-0.1 -0.604 95.2 -12.8 -90.9 153.5 48.5 -22.4 -16.9 29 57 A G T 3 S- 0 0 65 1,-0.3 -3,-0.0 -2,-0.2 0, 0.0 -0.412 135.0 -15.4 60.1-129.7 48.4 -25.9 -18.5 30 58 A L T 3 S+ 0 0 107 -2,-0.1 -1,-0.3 2,-0.0 2,-0.1 0.570 112.0 105.9 -85.8 -9.2 46.4 -25.7 -21.8 31 59 A A < + 0 0 5 -3,-1.7 2,-0.3 -25,-0.1 -23,-0.2 -0.386 41.2 149.2 -73.4 151.4 44.9 -22.3 -21.1 32 60 A F E -A 7 0A 82 -25,-2.5 -25,-2.0 -7,-0.2 2,-0.3 -0.979 32.3-153.3-169.9 162.0 46.0 -19.1 -22.8 33 61 A T E +A 6 0A 44 -2,-0.3 2,-0.3 -27,-0.2 -27,-0.2 -0.971 27.6 163.3-137.5 146.3 45.1 -15.7 -24.1 34 62 A K E > +A 5 0A 97 -29,-1.8 -29,-1.6 -2,-0.3 3,-1.2 -0.978 43.8 38.2-161.4 164.9 46.9 -14.0 -26.9 35 63 A N T 3 S- 0 0 46 -2,-0.3 3,-0.1 1,-0.2 -1,-0.1 0.847 128.9 -45.4 50.6 47.1 46.7 -11.3 -29.5 36 64 A R T 3 S+ 0 0 118 1,-0.4 -1,-0.2 -32,-0.1 2,-0.2 0.269 97.9 138.5 88.2 -8.4 45.0 -8.7 -27.3 37 65 A M < - 0 0 9 -3,-1.2 2,-0.5 -32,-0.2 -1,-0.4 -0.520 37.7-162.2 -61.9 130.0 42.5 -11.0 -26.0 38 66 A N E -H 45 0B 78 7,-1.4 7,-2.7 -2,-0.2 2,-0.7 -0.973 17.7-157.4-129.9 119.1 42.2 -10.1 -22.3 39 67 A Y E +H 44 0B 33 -2,-0.5 2,-0.4 5,-0.2 5,-0.2 -0.836 34.2 153.2 -93.1 114.2 40.8 -12.3 -19.6 40 68 A T E > -H 43 0B 63 3,-2.7 3,-1.7 -2,-0.7 -2,-0.1 -0.986 57.5 -5.3-150.0 126.0 39.8 -9.9 -16.7 41 69 A N T 3 S- 0 0 120 -2,-0.4 -1,-0.1 1,-0.3 3,-0.1 0.856 126.9 -53.5 62.0 40.5 37.2 -10.0 -13.9 42 70 A K T 3 S+ 0 0 83 1,-0.2 2,-0.4 -18,-0.1 78,-0.3 0.345 118.9 107.8 71.3 3.7 35.6 -13.3 -15.1 43 71 A F E < -H 40 0B 31 -3,-1.7 -3,-2.7 76,-0.1 2,-0.7 -0.837 67.5-138.7-107.4 142.9 35.1 -11.8 -18.6 44 72 A L E -HI 39 118B 0 74,-2.6 74,-2.5 -2,-0.4 2,-0.5 -0.887 31.1-148.9 -87.1 120.5 36.8 -12.4 -21.9 45 73 A L E -HI 38 117B 54 -7,-2.7 -7,-1.4 -2,-0.7 72,-0.2 -0.840 6.0-133.6-101.1 126.5 37.1 -8.9 -23.2 46 74 A I - 0 0 1 70,-3.3 69,-3.3 -2,-0.5 70,-0.2 -0.675 18.5-173.2 -86.7 119.0 37.0 -8.5 -27.0 47 75 A P + 0 0 26 0, 0.0 2,-0.3 0, 0.0 67,-0.2 0.639 69.2 35.1 -83.8 -17.3 39.8 -6.2 -28.5 48 76 A E S S- 0 0 71 65,-0.1 2,-0.1 66,-0.0 64,-0.1 -1.000 80.8-118.0-149.4 131.3 38.7 -6.1 -32.1 49 77 A S + 0 0 56 -2,-0.3 2,-0.3 64,-0.1 64,-0.2 -0.485 64.6 97.3 -74.3 146.3 35.3 -6.0 -33.8 50 78 A G E S-D 112 0A 22 62,-2.5 62,-3.9 -2,-0.1 2,-0.5 -0.961 76.6 -55.2 159.9-179.6 34.7 -9.0 -36.0 51 79 A D E -D 111 0A 73 -2,-0.3 92,-2.7 60,-0.3 2,-0.4 -0.856 53.8-173.1 -97.2 127.6 33.1 -12.4 -36.2 52 80 A Y E -DE 110 142A 0 58,-3.0 58,-2.6 -2,-0.5 2,-0.5 -0.902 24.8-135.8-121.5 147.2 34.2 -14.9 -33.5 53 81 A F E -DE 109 141A 60 88,-2.5 88,-2.3 -2,-0.4 2,-0.4 -0.870 31.2-173.5 -98.4 134.0 33.7 -18.5 -32.9 54 82 A I E +DE 108 140A 0 54,-2.7 54,-2.3 -2,-0.5 2,-0.3 -0.979 7.2 168.1-131.0 142.6 33.0 -19.0 -29.3 55 83 A Y E +DE 107 139A 35 84,-2.6 84,-2.9 -2,-0.4 2,-0.3 -0.989 11.5 178.7-155.8 158.8 32.6 -22.2 -27.3 56 84 A S E -DE 106 138A 0 50,-2.9 50,-2.4 -2,-0.3 2,-0.4 -0.962 11.2-161.7-158.2 141.6 32.3 -23.8 -23.9 57 85 A Q E -DE 105 137A 38 80,-1.8 80,-2.2 -2,-0.3 2,-0.5 -0.999 9.4-173.1-119.9 136.4 31.9 -27.1 -22.3 58 86 A V E -D 104 0A 0 46,-2.2 46,-2.1 -2,-0.4 2,-0.5 -0.985 11.4-153.2-123.0 119.1 30.8 -27.4 -18.7 59 87 A T E -D 103 0A 10 -2,-0.5 70,-3.0 70,-0.3 2,-0.4 -0.788 13.6-161.0 -87.4 127.9 30.8 -30.9 -17.2 60 88 A F E -DF 102 128A 0 42,-3.3 42,-4.2 -2,-0.5 2,-0.3 -0.850 9.2-176.6-107.8 150.0 28.3 -31.2 -14.4 61 89 A R E -D 101 0A 61 66,-2.5 40,-0.2 -2,-0.4 2,-0.2 -0.995 25.0-122.3-145.0 141.3 28.3 -33.9 -11.6 62 90 A G 0 0 10 38,-2.1 36,-0.1 -2,-0.3 65,-0.0 -0.531 360.0 360.0 -78.4 149.9 25.9 -34.8 -8.8 63 91 A M 0 0 175 -2,-0.2 -2,-0.1 34,-0.1 35,-0.0 -0.018 360.0 360.0 66.4 360.0 27.5 -34.8 -5.3 64 ! 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 65 106 A K 0 0 217 0, 0.0 2,-0.1 0, 0.0 33,-0.0 0.000 360.0 360.0 360.0 -64.3 18.2 -33.1 -6.6 66 107 A P - 0 0 32 0, 0.0 27,-0.1 0, 0.0 3,-0.1 -0.394 360.0-143.9 -71.9 146.2 18.2 -30.4 -9.4 67 108 A D S S- 0 0 148 1,-0.2 26,-2.9 25,-0.1 2,-0.3 0.873 78.6 -6.8 -74.7 -34.0 15.5 -30.9 -12.1 68 109 A S E -J 92 0B 46 24,-0.3 2,-0.3 2,-0.0 24,-0.3 -0.930 60.9-131.5-151.4 170.0 17.9 -29.7 -14.9 69 110 A I E -J 91 0B 0 22,-2.6 22,-3.0 -2,-0.3 2,-0.4 -0.958 24.2-168.4-128.0 148.1 21.3 -28.2 -15.5 70 111 A T E -J 90 0B 10 -2,-0.3 53,-1.9 20,-0.2 2,-0.4 -1.000 14.3-167.6-144.4 135.3 22.0 -25.1 -17.8 71 112 A V E -JK 89 122B 0 18,-2.6 18,-3.0 -2,-0.4 2,-0.4 -0.976 13.0-177.2-113.5 140.4 25.0 -23.4 -19.3 72 113 A V E -JK 88 121B 2 49,-2.4 49,-2.8 -2,-0.4 2,-0.5 -1.000 16.8-151.9-136.9 134.4 24.7 -19.9 -20.9 73 114 A I E -JK 87 120B 0 14,-2.3 13,-2.8 -2,-0.4 14,-1.4 -0.946 25.5-167.9-106.6 131.0 27.3 -17.9 -22.7 74 115 A T E -JK 85 119B 9 45,-2.7 45,-2.0 -2,-0.5 2,-0.4 -0.850 17.4-147.3-128.6 148.3 26.5 -14.2 -22.4 75 116 A K E -JK 84 118B 42 9,-2.6 9,-3.1 -2,-0.3 2,-0.5 -0.959 9.3-162.6-116.7 130.4 27.8 -11.0 -24.0 76 117 A V E - 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