==== 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 2RJL . COMPND 2 MOLECULE: TNF SUPERFAMILY LIGAND TL1A; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR C.ZHAN,Y.PATSKOVSKY,Q.YAN,W.SHI,R.TORO,J.BONANNO, . 141 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 7919.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 85 60.3 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 . 16 11.3 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 86 0, 0.0 2,-1.3 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -74.2 47.8 -15.0 -37.5 2 26 A D + 0 0 115 34,-0.0 3,-0.0 2,-0.0 32,-0.0 -0.324 360.0 147.6 -87.2 54.0 47.3 -12.6 -34.6 3 27 A K - 0 0 66 -2,-1.3 34,-0.1 139,-0.1 33,-0.1 -0.707 60.1 -96.6 -83.8 140.4 43.6 -13.0 -34.0 4 28 A P + 0 0 0 0, 0.0 138,-2.2 0, 0.0 2,-0.3 -0.324 57.1 169.1 -51.3 131.0 42.3 -12.7 -30.4 5 29 A R E +AB 34 141A 83 29,-1.7 29,-1.8 136,-0.2 2,-0.3 -0.985 14.2 171.3-151.5 137.8 42.1 -16.2 -29.0 6 30 A A E -AB 33 140A 2 134,-2.2 134,-2.2 -2,-0.3 2,-0.4 -0.976 14.6-171.3-146.7 142.8 41.5 -17.7 -25.5 7 31 A H E -AB 32 139A 31 25,-1.7 25,-2.3 -2,-0.3 2,-0.3 -0.981 20.4-168.8-123.3 119.3 40.9 -21.2 -24.1 8 32 A L E - B 0 138A 0 130,-3.6 130,-2.3 -2,-0.4 2,-0.3 -0.822 3.8-153.3-113.4 147.8 40.0 -21.1 -20.4 9 33 A T E -CB 25 137A 3 16,-2.1 16,-3.5 -2,-0.3 128,-0.2 -0.850 24.0 -93.9-125.2 156.3 39.7 -24.0 -18.0 10 34 A V E -C 24 0A 8 126,-2.1 2,-0.3 -2,-0.3 14,-0.2 -0.208 35.8-178.9 -69.3 153.1 37.8 -24.7 -14.8 11 35 A V - 0 0 39 12,-0.6 12,-0.2 121,-0.0 120,-0.1 -0.944 46.8 -74.7-136.1 166.4 39.1 -24.1 -11.3 12 36 A R - 0 0 175 -2,-0.3 2,-0.3 118,-0.2 117,-0.1 -0.390 59.8-119.1 -57.8 135.2 37.5 -24.8 -7.9 13 37 A Q - 0 0 25 112,-0.2 -1,-0.1 115,-0.1 9,-0.1 -0.622 15.2-129.9 -86.4 136.1 34.9 -22.0 -7.5 14 38 A T - 0 0 89 -2,-0.3 -1,-0.0 1,-0.1 -3,-0.0 -0.780 41.3 -97.3 -87.6 129.0 35.3 -19.5 -4.7 15 39 A P 0 0 133 0, 0.0 -1,-0.1 0, 0.0 0, 0.0 0.023 360.0 360.0 -54.1 143.3 31.9 -19.2 -2.8 16 40 A T 0 0 152 -3,-0.0 -2,-0.0 4,-0.0 -3,-0.0 0.280 360.0 360.0-144.2 360.0 29.6 -16.3 -3.6 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 0 198 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 108.5 21.0 -15.2 -10.3 19 47 A F - 0 0 90 105,-0.1 104,-0.2 106,-0.0 105,-0.1 -0.913 360.0-129.6 -82.7 110.7 22.7 -17.8 -12.4 20 48 A P - 0 0 17 0, 0.0 102,-2.2 0, 0.0 2,-0.3 -0.302 16.0-117.1 -67.9 150.8 26.1 -17.2 -10.9 21 49 A A B -G 121 0B 27 100,-0.2 100,-0.2 1,-0.0 2,-0.2 -0.637 23.1-127.6 -83.5 141.0 29.1 -16.7 -13.2 22 50 A L - 0 0 0 98,-2.8 98,-0.3 -2,-0.3 2,-0.3 -0.544 14.6-144.1 -76.3 152.3 32.0 -19.1 -13.3 23 51 A H - 0 0 34 -12,-0.2 -12,-0.6 -2,-0.2 2,-0.3 -0.897 23.3-155.0-117.9 157.1 35.6 -18.0 -12.9 24 52 A W E -C 10 0A 10 -2,-0.3 2,-0.4 -14,-0.2 -14,-0.2 -0.816 24.1-108.6-132.6 155.2 38.4 -19.6 -14.9 25 53 A E E +C 9 0A 36 -16,-3.5 -16,-2.1 -2,-0.3 7,-0.2 -0.732 33.7 174.7 -73.3 134.4 42.1 -20.6 -15.3 26 54 A H + 0 0 57 -2,-0.4 -19,-0.2 -18,-0.2 -1,-0.1 0.402 69.6 21.2-127.5 -2.0 43.6 -18.5 -18.1 27 55 A E S S+ 0 0 130 5,-0.2 2,-0.2 -18,-0.1 6,-0.1 0.590 95.2 85.2-140.1 -25.8 47.3 -19.3 -18.1 28 56 A L S > S- 0 0 106 -19,-0.1 3,-1.8 2,-0.1 -19,-0.1 -0.567 96.3 -16.8 -87.7 153.2 48.2 -22.6 -16.5 29 57 A G T 3 S- 0 0 67 1,-0.3 -3,-0.0 -2,-0.2 -20,-0.0 -0.382 134.8 -12.3 59.8-129.2 48.1 -26.0 -18.2 30 58 A L T 3 S+ 0 0 107 -2,-0.1 -1,-0.3 2,-0.0 2,-0.1 0.530 111.2 105.3 -79.9 -7.2 46.1 -25.9 -21.4 31 59 A A < + 0 0 5 -3,-1.8 2,-0.3 -25,-0.1 -23,-0.2 -0.463 43.4 155.0 -79.8 143.7 44.5 -22.5 -20.7 32 60 A F E -A 7 0A 84 -25,-2.3 -25,-1.7 -7,-0.2 2,-0.3 -0.991 30.6-156.6-157.2 161.0 45.7 -19.3 -22.5 33 61 A T E +A 6 0A 47 -2,-0.3 2,-0.3 -27,-0.2 -27,-0.2 -0.977 28.6 159.6-132.9 147.3 44.9 -15.8 -23.7 34 62 A K E > +A 5 0A 98 -29,-1.8 -29,-1.7 -2,-0.3 3,-1.7 -0.982 43.3 37.4-159.2 167.3 46.6 -14.2 -26.7 35 63 A N T 3 S- 0 0 46 -2,-0.3 -1,-0.1 1,-0.3 3,-0.1 0.845 129.9 -45.9 50.8 44.8 46.5 -11.5 -29.3 36 64 A R T 3 S+ 0 0 124 1,-0.3 -1,-0.3 -32,-0.1 2,-0.2 0.314 96.1 140.8 87.2 -6.3 44.8 -8.9 -27.0 37 65 A M < - 0 0 8 -3,-1.7 2,-0.5 -32,-0.2 -1,-0.3 -0.542 37.3-159.8 -59.1 130.6 42.2 -11.3 -25.6 38 66 A N E -H 45 0B 78 7,-1.3 7,-3.1 -2,-0.2 2,-0.8 -0.964 15.9-158.2-125.4 113.8 41.9 -10.2 -21.9 39 67 A Y E +H 44 0B 34 -2,-0.5 2,-0.4 5,-0.2 5,-0.2 -0.816 34.9 156.8 -89.3 108.6 40.5 -12.4 -19.2 40 68 A T E > -H 43 0B 59 3,-2.9 3,-2.3 -2,-0.8 -2,-0.1 -0.994 55.8 -9.3-142.7 126.8 39.6 -10.0 -16.4 41 69 A N T 3 S- 0 0 122 -2,-0.4 -1,-0.1 1,-0.3 3,-0.1 0.875 127.6 -52.1 56.7 40.3 37.1 -10.0 -13.5 42 70 A K T 3 S+ 0 0 83 1,-0.2 2,-0.4 -18,-0.1 78,-0.3 0.398 119.5 107.4 77.4 0.9 35.5 -13.3 -14.7 43 71 A F E < -H 40 0B 28 -3,-2.3 -3,-2.9 76,-0.1 2,-0.7 -0.861 68.3-135.8-106.8 143.1 34.9 -11.8 -18.2 44 72 A L E -HI 39 118B 0 74,-2.4 74,-2.4 -2,-0.4 2,-0.6 -0.877 31.3-146.4 -84.1 119.0 36.6 -12.5 -21.5 45 73 A L E -HI 38 117B 52 -7,-3.1 -7,-1.3 -2,-0.7 72,-0.2 -0.788 5.7-135.8 -97.3 119.5 37.0 -9.0 -22.8 46 74 A I - 0 0 1 70,-2.9 69,-3.3 -2,-0.6 70,-0.2 -0.634 18.0-172.9 -80.9 118.5 36.8 -8.7 -26.6 47 75 A P + 0 0 28 0, 0.0 2,-0.3 0, 0.0 67,-0.2 0.506 66.9 35.3 -87.0 -7.8 39.5 -6.4 -28.1 48 76 A E S S- 0 0 68 65,-0.1 2,-0.2 2,-0.0 64,-0.1 -0.989 80.6-116.1-154.0 131.4 38.4 -6.2 -31.7 49 77 A S + 0 0 59 -2,-0.3 2,-0.3 64,-0.1 64,-0.2 -0.516 66.3 98.4 -69.7 137.1 35.0 -6.1 -33.4 50 78 A G E S-D 112 0A 23 62,-2.3 62,-3.1 -2,-0.2 2,-0.5 -0.977 76.8 -57.8 168.0-178.4 34.4 -9.1 -35.6 51 79 A D E -D 111 0A 76 -2,-0.3 92,-2.8 60,-0.2 2,-0.4 -0.846 53.0-172.0 -95.6 126.9 32.8 -12.5 -35.8 52 80 A Y E -DE 110 142A 0 58,-2.8 58,-2.4 -2,-0.5 2,-0.6 -0.921 24.2-135.4-118.0 141.6 33.9 -14.9 -33.1 53 81 A F E -DE 109 141A 59 88,-2.4 88,-2.2 -2,-0.4 2,-0.3 -0.873 31.4-169.1 -89.6 128.9 33.3 -18.6 -32.5 54 82 A I E +DE 108 140A 0 54,-3.2 54,-1.7 -2,-0.6 2,-0.3 -0.809 9.4 169.7-115.7 153.8 32.5 -19.1 -28.8 55 83 A Y E +DE 107 139A 38 84,-2.2 84,-2.9 -2,-0.3 2,-0.3 -0.982 11.2 174.4-161.7 155.0 32.2 -22.3 -26.9 56 84 A S E -DE 106 138A 0 50,-2.6 50,-2.6 -2,-0.3 2,-0.4 -0.960 11.7-163.1-157.1 144.7 31.9 -23.9 -23.4 57 85 A Q E -DE 105 137A 36 80,-1.8 80,-2.4 -2,-0.3 2,-0.5 -0.999 8.1-172.3-119.6 135.6 31.5 -27.3 -21.8 58 86 A V E -D 104 0A 0 46,-2.1 46,-2.2 -2,-0.4 2,-0.6 -0.995 12.0-152.5-119.2 120.5 30.4 -27.6 -18.2 59 87 A T E -D 103 0A 10 -2,-0.5 70,-3.3 70,-0.4 2,-0.3 -0.842 15.2-161.3 -87.0 122.4 30.5 -31.1 -16.7 60 88 A F E -DF 102 128A 0 42,-3.5 42,-2.9 -2,-0.6 2,-0.3 -0.819 8.5-174.7-102.2 147.4 27.9 -31.3 -14.0 61 89 A R E -D 101 0A 80 66,-2.7 40,-0.3 -2,-0.3 38,-0.1 -0.995 26.1-106.2-143.2 146.2 28.0 -34.0 -11.3 62 90 A G 0 0 8 38,-2.8 36,-0.2 -2,-0.3 0, 0.0 -0.191 360.0 360.0 -77.6 164.2 25.5 -34.9 -8.5 63 91 A M 0 0 164 34,-0.2 -1,-0.1 36,-0.0 36,-0.1 -0.621 360.0 360.0 65.3 360.0 26.0 -34.2 -4.8 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 0 222 0, 0.0 2,-0.2 0, 0.0 33,-0.1 0.000 360.0 360.0 360.0 -51.4 17.7 -32.5 -5.6 66 107 A P - 0 0 36 0, 0.0 3,-0.1 0, 0.0 27,-0.0 -0.493 360.0-160.7 -69.9 141.2 18.1 -30.4 -8.9 67 108 A D S S- 0 0 143 1,-0.2 26,-2.1 -2,-0.2 2,-0.3 0.669 76.5 -3.5 -83.6 -21.5 15.3 -30.8 -11.4 68 109 A S E -J 92 0B 54 24,-0.3 2,-0.4 2,-0.0 24,-0.2 -0.974 60.5-134.6-161.2 164.7 17.6 -29.5 -14.2 69 110 A I E -J 91 0B 0 22,-2.4 22,-2.7 -2,-0.3 2,-0.4 -0.984 23.7-169.8-129.3 142.1 21.1 -28.1 -15.0 70 111 A T E -J 90 0B 9 -2,-0.4 53,-1.7 20,-0.2 2,-0.4 -0.998 15.6-169.0-138.1 134.5 21.8 -25.1 -17.3 71 112 A V E -JK 89 122B 0 18,-2.7 18,-2.9 -2,-0.4 2,-0.4 -0.990 14.5-178.1-113.1 136.2 24.8 -23.4 -18.9 72 113 A V E -JK 88 121B 4 49,-2.6 49,-3.0 -2,-0.4 2,-0.5 -0.995 17.3-151.9-131.8 131.9 24.3 -20.0 -20.4 73 114 A I E -JK 87 120B 0 14,-2.5 13,-2.6 -2,-0.4 14,-1.4 -0.953 25.7-167.6-103.6 129.2 26.9 -18.0 -22.2 74 115 A T E -JK 85 119B 11 45,-2.9 45,-2.4 -2,-0.5 2,-0.4 -0.882 17.4-148.3-125.3 145.5 26.2 -14.3 -21.9 75 116 A K E -JK 84 118B 41 9,-2.8 9,-2.9 -2,-0.3 2,-0.5 -0.939 7.5-163.4-110.8 132.0 27.4 -11.0 -23.5 76 117 A V E - 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