==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=8-FEB-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER PROTEIN BINDING/PROTEIN BINDING 08-AUG-12 4GIQ . COMPND 2 MOLECULE: TUMOR NECROSIS FACTOR LIGAND SUPERFAMILY MEMBER 1 . SOURCE 2 ORGANISM_SCIENTIFIC: MUS MUSCULUS; . AUTHOR C.A.NELSON,M.W.-H.WANG,D.H.FREMONT . 319 2 10 10 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 17893.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 180 56.4 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 . 113 35.4 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.3 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 . 6 1.9 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 . 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 . 34 10.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 21 6.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 2 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 0.9 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 . 5 5 4 4 1 0 2 0 1 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 8 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 1 162 A Q 0 0 131 0, 0.0 2,-0.2 0, 0.0 150,-0.0 0.000 360.0 360.0 360.0 146.5 2.7 61.0 61.7 2 163 A P + 0 0 1 0, 0.0 148,-2.3 0, 0.0 2,-0.3 -0.478 360.0 155.6 -80.9 149.4 2.7 58.5 58.8 3 164 A F E -AB 35 149A 76 32,-1.9 32,-2.6 146,-0.2 2,-0.3 -0.965 20.7-160.0-159.2 173.0 3.9 59.4 55.2 4 165 A A E -AB 34 148A 2 144,-2.7 144,-2.5 -2,-0.3 2,-0.3 -0.948 10.1-175.9-161.6 141.2 5.3 58.0 52.0 5 166 A H E -AB 33 147A 23 28,-3.2 28,-1.9 -2,-0.3 2,-0.6 -0.841 19.6-172.0-138.2 101.3 7.2 59.2 48.9 6 167 A L E - B 0 146A 0 140,-3.2 140,-2.4 -2,-0.3 2,-0.3 -0.849 5.5-164.1-105.5 120.1 7.6 56.4 46.4 7 168 A T E -CB 26 145A 0 19,-0.6 19,-3.5 -2,-0.6 138,-0.2 -0.683 38.4 -86.0 -95.0 155.3 9.7 56.8 43.3 8 169 A I E -C 25 0A 3 136,-2.4 2,-1.2 132,-0.3 17,-0.2 -0.276 33.9-120.5 -63.9 137.4 9.5 54.4 40.3 9 170 A N > - 0 0 36 15,-1.9 3,-2.0 1,-0.2 -1,-0.1 -0.707 26.8-161.4 -77.0 100.4 11.5 51.2 40.4 10 171 A A T 3 S+ 0 0 27 -2,-1.2 3,-0.5 1,-0.3 -1,-0.2 0.685 83.6 53.5 -61.8 -21.4 13.5 51.8 37.3 11 172 A A T 3 S+ 0 0 87 1,-0.2 -1,-0.3 128,-0.1 -2,-0.1 0.409 110.6 45.4 -95.7 1.7 14.5 48.2 36.8 12 173 A S S < S+ 0 0 59 -3,-2.0 11,-0.3 12,-0.1 -1,-0.2 -0.012 70.0 140.4-136.1 29.4 10.9 46.8 37.0 13 174 A I - 0 0 44 -3,-0.5 9,-0.0 -5,-0.1 -3,-0.0 -0.682 53.4-119.5 -79.2 122.6 8.9 49.1 34.7 14 175 A P - 0 0 39 0, 0.0 2,-0.2 0, 0.0 -1,-0.1 -0.085 23.5-133.9 -58.8 157.0 6.4 47.0 32.7 15 176 A S + 0 0 109 120,-0.1 3,-0.2 121,-0.1 2,-0.2 -0.662 54.1 62.1-108.7 168.6 6.4 46.9 28.9 16 177 A G S S- 0 0 29 -2,-0.2 119,-1.2 1,-0.1 0, 0.0 -0.476 79.2 -92.5 110.3 178.7 3.7 47.1 26.4 17 178 A S S S+ 0 0 75 -2,-0.2 2,-0.3 117,-0.1 -1,-0.1 0.220 86.8 102.9-117.7 10.7 1.1 49.7 25.3 18 179 A H S S- 0 0 154 -3,-0.2 2,-0.2 1,-0.1 113,-0.1 -0.692 82.0 -97.9 -96.7 149.8 -1.8 48.6 27.6 19 180 A K + 0 0 118 -2,-0.3 2,-0.3 114,-0.1 113,-0.2 -0.456 51.1 175.3 -66.6 129.4 -2.8 50.3 30.8 20 181 A V E -G 131 0B 43 111,-1.8 111,-1.6 -2,-0.2 2,-0.6 -0.922 36.0-113.3-133.5 158.4 -1.3 48.5 33.8 21 182 A T E -G 130 0B 55 -2,-0.3 109,-0.3 109,-0.2 2,-0.2 -0.857 40.3-120.5 -90.5 120.4 -1.1 49.0 37.6 22 183 A L - 0 0 1 107,-2.2 107,-0.4 -2,-0.6 3,-0.1 -0.416 31.9-178.7 -64.5 129.2 2.5 49.8 38.6 23 184 A S + 0 0 53 -11,-0.3 2,-0.3 -2,-0.2 19,-0.2 0.138 56.4 63.8-120.7 18.3 3.7 47.1 41.0 24 185 A S + 0 0 29 17,-0.2 -15,-1.9 18,-0.1 2,-0.3 -0.887 52.2 153.1-150.5 114.1 7.2 48.2 41.8 25 186 A W E -C 8 0A 12 -2,-0.3 2,-0.3 -17,-0.2 -17,-0.2 -0.924 42.7-109.5-132.3 159.2 8.4 51.4 43.6 26 187 A Y E +C 7 0A 23 -19,-3.5 -19,-0.6 -2,-0.3 7,-0.2 -0.664 31.4 173.3 -82.1 146.8 11.4 52.4 45.7 27 188 A H S S+ 0 0 101 -2,-0.3 7,-0.3 5,-0.2 -22,-0.1 0.471 75.4 25.7-131.5 -12.0 10.6 53.0 49.4 28 189 A D S S+ 0 0 122 5,-0.2 2,-0.3 1,-0.0 5,-0.2 -0.429 97.3 90.1-154.1 69.1 14.1 53.5 50.9 29 190 A R B > S-L 32 0C 74 3,-0.9 3,-2.1 -3,-0.1 2,-0.3 -0.838 92.1 -29.5-171.3 120.8 16.5 54.8 48.3 30 191 A G T 3 S- 0 0 4 179,-0.4 168,-0.0 1,-0.3 179,-0.0 -0.500 132.5 -12.6 65.9-123.8 17.3 58.4 47.2 31 192 A W T 3 S+ 0 0 117 -2,-0.3 2,-0.3 -3,-0.1 -1,-0.3 0.536 111.9 111.0 -85.6 -7.2 14.3 60.6 47.8 32 193 A A B < +L 29 0C 3 -3,-2.1 -3,-0.9 -24,-0.1 2,-0.3 -0.515 42.2 155.8 -72.1 130.9 12.1 57.5 48.3 33 194 A K E -A 5 0A 81 -28,-1.9 -28,-3.2 -2,-0.3 2,-0.3 -0.993 21.8-169.8-155.1 151.0 10.9 57.1 51.9 34 195 A I E -A 4 0A 44 -2,-0.3 2,-0.3 -7,-0.3 -30,-0.2 -0.998 3.3-178.4-147.6 145.2 8.1 55.5 53.9 35 196 A S E S-A 3 0A 46 -32,-2.6 -32,-1.9 -2,-0.3 3,-0.1 -0.951 70.3 -12.7-150.8 125.0 6.9 55.7 57.5 36 197 A N S S+ 0 0 89 -2,-0.3 11,-0.5 -34,-0.2 2,-0.3 0.674 112.2 95.8 58.0 18.2 4.1 54.0 59.4 37 198 A M E -H 46 0B 13 -34,-0.2 2,-0.4 9,-0.1 -1,-0.2 -0.941 67.6-135.5-129.2 155.9 2.8 52.8 56.1 38 199 A T E -H 45 0B 63 7,-1.8 7,-3.7 -2,-0.3 2,-0.5 -0.901 9.3-156.9-116.2 144.6 3.3 49.5 54.3 39 200 A L E +H 44 0B 47 -2,-0.4 2,-0.4 5,-0.2 5,-0.2 -0.974 13.9 172.0-123.4 123.3 4.1 48.9 50.6 40 201 A S E > S-H 43 0B 76 3,-1.6 3,-0.6 -2,-0.5 -16,-0.1 -0.854 71.4 -36.7-134.2 98.7 3.4 45.6 48.8 41 202 A N T 3 S- 0 0 120 -2,-0.4 -17,-0.2 1,-0.2 3,-0.1 0.929 125.2 -35.6 55.6 55.7 3.9 45.5 45.0 42 203 A G T 3 S+ 0 0 1 -19,-0.2 2,-0.7 1,-0.1 87,-0.5 0.464 113.6 113.9 83.1 1.2 2.7 48.9 44.1 43 204 A K E < -H 40 0B 65 -3,-0.6 -3,-1.6 -20,-0.2 2,-0.9 -0.841 53.6-157.6-110.2 97.0 -0.0 49.0 46.8 44 205 A L E -HI 39 127B 0 83,-2.4 83,-2.6 -2,-0.7 2,-0.4 -0.619 19.0-152.0 -71.7 106.4 0.7 51.6 49.4 45 206 A R E -HI 38 126B 97 -7,-3.7 -7,-1.8 -2,-0.9 2,-0.5 -0.670 7.0-131.7 -90.1 134.1 -1.3 50.3 52.4 46 207 A V E +H 37 0B 0 79,-3.0 78,-2.8 -2,-0.4 -9,-0.1 -0.706 23.6 177.5 -83.7 127.5 -2.6 52.7 55.1 47 208 A N + 0 0 62 -11,-0.5 2,-0.4 -2,-0.5 76,-0.2 0.609 66.8 45.7-102.6 -16.5 -1.9 51.5 58.6 48 209 A Q S S- 0 0 58 -12,-0.1 -1,-0.2 74,-0.1 73,-0.1 -0.990 82.6-118.4-136.6 127.6 -3.4 54.5 60.5 49 210 A D + 0 0 56 -2,-0.4 2,-0.2 -3,-0.1 73,-0.2 -0.162 59.2 100.5 -56.2 152.2 -6.8 56.2 60.0 50 211 A G E S-D 121 0A 0 71,-1.9 71,-2.5 103,-0.2 2,-0.7 -0.841 74.0 -67.5 153.6 171.5 -6.7 59.9 59.1 51 212 A F E -DE 120 152A 51 101,-2.0 100,-2.9 -2,-0.2 101,-1.2 -0.847 53.7-172.4 -91.1 118.3 -7.0 62.5 56.4 52 213 A Y E -DE 119 150A 0 67,-2.3 67,-2.8 -2,-0.7 2,-0.6 -0.747 24.7-130.1-107.7 156.0 -4.1 62.2 54.0 53 214 A Y E -DE 118 149A 88 96,-2.2 96,-1.1 -2,-0.3 2,-0.4 -0.947 28.1-159.6-101.2 121.2 -3.0 64.4 51.1 54 215 A L E +DE 117 148A 2 63,-3.2 63,-2.6 -2,-0.6 2,-0.3 -0.817 15.3 170.4-102.1 140.4 -2.3 62.2 48.1 55 216 A Y E -DE 116 147A 48 92,-1.9 92,-2.5 -2,-0.4 2,-0.3 -0.991 11.8-174.4-146.8 155.1 -0.1 63.3 45.2 56 217 A A E -DE 115 146A 1 59,-2.1 59,-2.3 -2,-0.3 2,-0.5 -0.983 8.2-166.5-150.9 136.9 1.4 61.8 42.0 57 218 A N E -DE 114 145A 22 88,-3.2 88,-2.8 -2,-0.3 2,-0.5 -0.988 14.1-176.4-123.6 120.2 3.8 63.0 39.4 58 219 A I E -D 113 0A 0 55,-2.5 55,-3.4 -2,-0.5 2,-0.5 -0.969 5.7-164.9-122.2 125.3 4.1 61.0 36.2 59 220 A C E -D 112 0A 7 -2,-0.5 79,-2.5 79,-0.3 2,-0.4 -0.917 0.4-164.7-111.8 131.0 6.5 61.7 33.3 60 221 A F E +DF 111 137A 0 51,-3.7 51,-2.3 -2,-0.5 2,-0.3 -0.913 14.1 173.9-110.1 137.9 6.3 60.1 29.9 61 222 A R E -D 110 0A 20 75,-3.4 2,-0.3 -2,-0.4 49,-0.2 -0.985 12.8-174.7-141.3 154.0 9.2 60.3 27.4 62 223 A H E -D 109 0A 21 47,-2.2 47,-2.4 -2,-0.3 2,-0.3 -0.936 4.5-166.4-150.7 127.6 10.1 58.9 24.0 63 224 A H E > -D 108 0A 0 155,-0.5 3,-1.4 -2,-0.3 45,-0.2 -0.800 31.2-121.2-107.9 155.8 13.3 59.1 21.9 64 225 A E G > S+ 0 0 62 43,-1.9 3,-1.4 -2,-0.3 44,-0.1 0.701 105.9 71.2 -72.3 -18.3 13.5 58.2 18.3 65 226 A T G 3 S+ 0 0 64 1,-0.3 -1,-0.3 42,-0.2 3,-0.1 0.678 90.7 61.9 -68.9 -17.0 16.1 55.5 18.8 66 227 A S G < S- 0 0 70 -3,-1.4 2,-0.4 1,-0.3 -1,-0.3 0.536 116.0-112.9 -85.0 -7.5 13.4 53.4 20.4 67 228 A G < - 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