==== 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 IMMUNE SYSTEM 21-JUN-07 2QDN . COMPND 2 MOLECULE: GITR LIGAND; . SOURCE 2 ORGANISM_SCIENTIFIC: MUS MUSCULUS; . AUTHOR K.CHATTOPADHYAY,U.A.RAMAGOPAL,S.G.NATHENSON,S.C.ALMO . 246 2 2 2 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12408.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 164 66.7 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 . 109 44.3 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.8 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 . 27 11.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 18 7.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 2 0.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 0.8 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 . 1 5 2 2 5 2 1 1 1 0 0 0 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 2 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 51 A S 0 0 110 0, 0.0 2,-0.3 0, 0.0 20,-0.2 0.000 360.0 360.0 360.0 126.1 33.5 27.8 35.0 2 52 A a + 0 0 1 113,-0.5 113,-2.8 18,-0.1 2,-0.3 -0.850 360.0 144.5-150.2 109.0 35.1 27.1 31.6 3 53 A M E -A 114 0A 1 -2,-0.3 13,-1.8 111,-0.2 2,-0.3 -0.999 17.9-172.7-148.4 142.8 34.3 28.9 28.3 4 54 A V E -AB 113 15A 0 109,-2.3 109,-1.0 -2,-0.3 2,-0.4 -0.978 4.9-163.3-137.8 146.5 36.3 29.9 25.3 5 55 A K E -AB 112 14A 28 9,-2.5 9,-3.4 -2,-0.3 2,-0.5 -0.986 7.2-153.5-136.3 124.8 35.4 32.0 22.2 6 56 A F E -AB 111 13A 1 105,-3.8 105,-1.7 -2,-0.4 2,-0.7 -0.858 4.8-158.2-100.4 127.1 37.4 32.1 18.9 7 57 A E E >>> -AB 110 12A 41 5,-2.8 4,-1.6 -2,-0.5 5,-1.0 -0.927 2.4-161.1-107.1 111.3 37.1 35.2 16.9 8 58 A L T 345S+ 0 0 26 101,-2.0 99,-0.2 -2,-0.7 -1,-0.2 0.838 85.5 67.2 -64.3 -31.1 38.0 34.4 13.3 9 59 A S T 345S+ 0 0 71 97,-0.7 -1,-0.2 100,-0.6 98,-0.1 0.848 121.7 17.1 -56.5 -33.6 38.7 38.1 12.4 10 60 A S T <45S- 0 0 57 -3,-0.9 -1,-0.2 2,-0.2 -2,-0.2 0.455 96.7-127.3-115.5 -10.3 41.8 38.1 14.8 11 61 A S T <5 + 0 0 48 -4,-1.6 2,-0.4 1,-0.2 -3,-0.2 0.799 65.8 135.7 53.0 34.6 42.4 34.4 15.2 12 62 A K E < -B 7 0A 94 -5,-1.0 -5,-2.8 17,-0.0 2,-0.4 -0.878 50.9-138.3-107.3 143.8 42.3 34.9 19.0 13 63 A W E -B 6 0A 1 234,-2.3 234,-2.3 -2,-0.4 2,-0.5 -0.838 10.3-151.8 -91.4 133.1 40.6 32.9 21.7 14 64 A H E -BC 5 246A 47 -9,-3.4 -9,-2.5 -2,-0.4 2,-0.3 -0.935 25.9-173.0-104.7 129.8 38.8 34.7 24.5 15 65 A M E -BC 4 245A 14 230,-2.3 230,-2.5 -2,-0.5 -11,-0.2 -0.910 39.5-131.0-134.8 151.0 38.8 32.7 27.7 16 66 A T S S+ 0 0 18 -13,-1.8 226,-0.1 -2,-0.3 -12,-0.1 0.696 95.8 21.5 -67.6 -26.5 37.4 32.5 31.2 17 67 A S S S- 0 0 46 -14,-0.2 228,-0.1 228,-0.1 -1,-0.0 -0.940 84.2-105.5-142.4 160.8 40.9 31.8 32.7 18 68 A P S S+ 0 0 93 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.863 119.8 12.3 -53.4 -38.6 44.6 32.1 31.8 19 69 A K S S- 0 0 163 -3,-0.0 5,-0.1 5,-0.0 -4,-0.0 -0.802 89.0-139.0-142.9 88.6 44.7 28.4 31.1 20 70 A P > - 0 0 10 0, 0.0 3,-0.6 0, 0.0 -18,-0.1 -0.269 2.9-147.2 -54.0 131.9 41.1 26.8 31.0 21 71 A H T 3 S+ 0 0 99 -20,-0.2 -19,-0.1 1,-0.2 3,-0.1 0.740 92.5 53.2 -69.1 -25.5 41.0 23.3 32.7 22 72 A a T 3 S+ 0 0 0 1,-0.2 12,-2.1 12,-0.1 13,-1.5 0.539 113.6 19.1 -93.8 -8.6 38.4 21.9 30.4 23 73 A V E < -G 33 0B 2 -3,-0.6 2,-0.4 10,-0.3 10,-0.2 -0.989 52.7-142.1-162.2 142.8 40.0 22.5 27.0 24 74 A N E -G 32 0B 70 8,-2.6 8,-2.8 -2,-0.3 2,-0.3 -0.891 27.8-159.8-102.7 147.6 43.2 23.3 25.0 25 75 A T E -G 31 0B 37 -2,-0.4 2,-0.3 6,-0.2 6,-0.2 -0.910 5.0-152.9-128.7 151.0 42.9 25.6 22.0 26 76 A T > - 0 0 71 4,-2.2 3,-2.2 -2,-0.3 4,-0.2 -0.867 31.5-111.7-123.1 160.1 45.1 26.3 18.9 27 77 A S T 3 S+ 0 0 100 -2,-0.3 -1,-0.0 1,-0.3 -2,-0.0 0.640 113.2 68.2 -68.0 -14.7 45.5 29.4 16.7 28 78 A D T 3 S- 0 0 95 2,-0.1 -1,-0.3 1,-0.0 3,-0.1 0.495 120.7-105.3 -76.5 -5.2 43.8 27.6 13.9 29 79 A G S < S+ 0 0 3 -3,-2.2 2,-0.2 1,-0.3 67,-0.2 0.642 79.3 130.1 88.8 16.3 40.5 27.8 15.9 30 80 A K - 0 0 90 -4,-0.2 -4,-2.2 65,-0.1 2,-0.3 -0.639 40.7-152.8 -99.4 162.8 40.5 24.1 16.9 31 81 A L E -GH 25 94B 8 63,-2.6 63,-2.9 -6,-0.2 2,-0.5 -0.963 11.0-152.2-134.1 146.5 40.0 22.7 20.4 32 82 A K E -GH 24 93B 90 -8,-2.8 -8,-2.6 -2,-0.3 2,-0.3 -0.994 26.6-129.9-116.9 125.2 41.0 19.5 22.3 33 83 A I E +G 23 0B 0 59,-3.4 58,-3.3 -2,-0.5 -10,-0.3 -0.582 28.0 174.7 -72.3 129.2 38.7 18.5 25.1 34 84 A L + 0 0 72 -12,-2.1 2,-0.5 -2,-0.3 -11,-0.2 0.720 67.5 53.8-102.4 -31.4 40.5 17.9 28.4 35 85 A Q S S- 0 0 82 -13,-1.5 -1,-0.2 54,-0.1 2,-0.1 -0.928 80.2-133.6-110.6 120.6 37.4 17.3 30.6 36 86 A S + 0 0 57 -2,-0.5 2,-0.3 -3,-0.1 53,-0.3 -0.447 59.2 95.8 -61.1 139.9 34.7 14.8 29.7 37 87 A G E S-D 88 0A 26 51,-2.5 51,-3.6 -2,-0.1 2,-0.5 -0.984 76.4 -48.4 163.3-173.1 31.3 16.3 30.1 38 88 A T E -D 87 0A 50 78,-0.3 78,-2.6 -2,-0.3 2,-0.4 -0.830 55.3-172.8 -96.0 124.8 28.3 18.0 28.5 39 89 A Y E -DE 86 115A 0 47,-3.0 47,-2.7 -2,-0.5 2,-0.7 -0.901 25.2-140.8-122.9 145.1 29.3 21.0 26.3 40 90 A L E -DE 85 114A 1 74,-2.6 74,-1.9 -2,-0.4 2,-0.4 -0.959 20.6-162.3-100.8 113.0 27.5 23.6 24.5 41 91 A I E +DE 84 113A 5 43,-2.4 43,-1.9 -2,-0.7 2,-0.3 -0.826 23.9 163.0 -91.7 133.2 29.2 24.2 21.1 42 92 A Y E + E 0 112A 6 70,-2.1 70,-2.2 -2,-0.4 2,-0.2 -0.858 8.7 123.3-144.3 173.0 28.2 27.5 19.7 43 93 A G E - E 0 111A 3 39,-0.5 39,-2.1 68,-0.3 2,-0.4 -0.789 42.8-113.2 153.7 173.8 29.1 30.2 17.1 44 94 A Q E -FE 81 110A 26 66,-2.0 66,-1.9 37,-0.2 2,-0.5 -0.990 20.0-157.2-134.1 128.5 27.9 32.2 14.1 45 95 A V E -F 80 0A 0 35,-2.5 35,-2.5 -2,-0.4 64,-0.1 -0.943 9.8-153.6-106.7 122.1 29.5 31.7 10.6 46 96 A I E - E 0 105A 18 -2,-0.5 59,-3.5 59,-0.5 2,-0.2 -0.890 10.4-151.6 -99.6 117.1 29.0 34.7 8.3 47 97 A P E - E 0 104A 10 0, 0.0 57,-0.2 0, 0.0 2,-0.2 -0.500 25.4 -99.9 -79.7 155.8 29.0 33.9 4.6 48 98 A V - 0 0 34 55,-2.3 5,-0.1 -2,-0.2 57,-0.0 -0.512 57.7 -84.1 -60.0 138.3 30.2 36.2 1.8 49 99 A D > - 0 0 85 -2,-0.2 3,-2.4 1,-0.1 4,-0.2 -0.304 36.3-130.5 -42.4 123.2 27.1 37.8 0.1 50 100 A K G > S+ 0 0 101 27,-0.4 3,-1.9 1,-0.3 -1,-0.1 0.790 103.6 77.3 -55.3 -33.0 26.0 35.3 -2.5 51 101 A K G 3 S+ 0 0 126 1,-0.3 -1,-0.3 3,-0.1 -2,-0.1 0.820 100.1 44.0 -37.8 -37.0 26.0 38.2 -5.0 52 102 A Y G < S+ 0 0 150 -3,-2.4 2,-0.8 1,-0.1 -1,-0.3 0.400 93.1 85.1 -99.1 -1.3 29.8 37.7 -5.0 53 103 A I < - 0 0 28 -3,-1.9 -1,-0.1 -4,-0.2 50,-0.0 -0.884 55.9-178.2-104.5 104.0 29.9 33.8 -5.2 54 104 A K + 0 0 180 -2,-0.8 2,-0.2 2,-0.0 -1,-0.1 -0.050 52.6 65.1-102.3 29.0 29.6 33.1 -8.9 55 105 A D S S- 0 0 99 2,-0.2 -2,-0.1 0, 0.0 0, 0.0 -0.763 88.2-104.7-129.6-172.6 29.6 29.3 -8.9 56 106 A N + 0 0 158 -2,-0.2 -2,-0.0 2,-0.1 -3,-0.0 0.074 68.5 133.9 -98.2 17.7 27.3 26.6 -7.7 57 107 A A - 0 0 26 1,-0.1 -2,-0.2 3,-0.0 43,-0.1 -0.628 55.5-126.8 -73.7 119.1 29.4 25.6 -4.7 58 108 A P - 0 0 69 0, 0.0 2,-0.9 0, 0.0 18,-0.1 -0.297 12.9-115.9 -65.4 151.3 27.1 25.3 -1.7 59 109 A F E +I 75 0B 2 16,-0.5 16,-0.9 40,-0.1 2,-0.4 -0.795 49.6 167.7 -84.0 104.6 27.7 27.1 1.6 60 110 A V E -I 74 0B 23 -2,-0.9 39,-2.0 14,-0.2 2,-0.4 -0.972 21.3-171.5-127.2 134.7 28.3 24.2 4.1 61 111 A V E -IJ 73 98B 1 12,-2.7 12,-2.5 -2,-0.4 2,-0.4 -0.991 8.0-175.2-123.0 126.8 29.6 24.1 7.6 62 112 A Q E -IJ 72 97B 45 35,-3.0 35,-2.5 -2,-0.4 2,-0.5 -0.895 14.6-151.2-114.4 147.0 30.4 20.9 9.5 63 113 A I E -IJ 71 96B 1 8,-2.1 7,-2.9 -2,-0.4 8,-1.2 -0.976 19.4-159.7-111.4 128.9 31.5 20.4 13.1 64 114 A Y E -IJ 69 95B 31 31,-3.3 31,-1.6 -2,-0.5 2,-0.5 -0.843 17.8-159.9-110.4 147.0 33.7 17.4 13.7 65 115 A K E > S-IJ 68 94B 48 3,-3.0 3,-2.6 -2,-0.3 29,-0.2 -0.986 77.2 -50.0-117.7 112.8 34.5 15.5 16.9 66 116 A K T 3 S- 0 0 105 27,-3.2 29,-0.1 -2,-0.5 26,-0.0 -0.411 123.4 -24.9 49.9-120.4 37.7 13.6 16.1 67 117 A N T 3 S+ 0 0 143 -2,-0.2 2,-0.4 -3,-0.1 -1,-0.3 0.234 120.8 97.5-100.0 14.2 36.9 12.0 12.8 68 118 A D E < S-I 65 0B 100 -3,-2.6 -3,-3.0 2,-0.0 2,-0.5 -0.881 74.8-124.5-106.9 134.4 33.2 11.9 13.3 69 119 A V E -I 64 0B 66 -2,-0.4 -5,-0.2 -5,-0.2 3,-0.1 -0.628 22.3-175.4 -72.5 118.2 30.7 14.5 11.9 70 120 A L E - 0 0 37 -7,-2.9 2,-0.3 -2,-0.5 -6,-0.2 0.836 69.6 -13.9 -79.4 -36.6 28.7 16.0 14.8 71 121 A Q E -I 63 0B 9 -8,-1.2 -8,-2.1 2,-0.0 2,-0.4 -0.968 53.3-148.7-164.1 154.7 26.5 18.1 12.4 72 122 A T E -I 62 0B 50 -2,-0.3 2,-0.4 -10,-0.2 -10,-0.2 -0.999 21.4-174.9-130.3 127.8 26.3 19.4 8.9 73 123 A L E +I 61 0B 4 -12,-2.5 -12,-2.7 -2,-0.4 2,-0.3 -0.955 8.0 168.5-130.2 143.2 24.7 22.7 8.1 74 124 A M E +I 60 0B 75 -2,-0.4 2,-0.3 -14,-0.2 -14,-0.2 -0.978 3.6 158.4-152.4 139.6 23.8 24.5 4.9 75 125 A N E -I 59 0B 31 -16,-0.9 2,-1.9 -2,-0.3 -16,-0.5 -0.880 57.7 -80.6-144.5-179.3 21.8 27.5 3.9 76 126 A D S S- 0 0 98 -2,-0.3 -26,-0.2 1,-0.2 -2,-0.0 -0.468 90.1 -66.7 -86.2 65.0 21.7 29.9 0.9 77 127 A F S S+ 0 0 15 -2,-1.9 -27,-0.4 1,-0.2 2,-0.3 0.900 96.1 135.4 51.3 51.3 24.6 32.1 2.1 78 128 A Q - 0 0 125 -19,-0.1 -1,-0.2 120,-0.1 -33,-0.1 -0.864 69.1 -68.3-118.7 158.6 22.9 33.5 5.2 79 129 A I - 0 0 84 -2,-0.3 -33,-0.2 -33,-0.1 -1,-0.1 -0.185 54.7-151.8 -45.3 127.5 24.2 34.0 8.7 80 130 A L E -F 45 0A 10 -35,-2.5 -35,-2.5 117,-0.1 2,-0.2 -0.890 10.4-160.3-120.1 98.5 24.6 30.5 10.2 81 131 A P E -F 44 0A 3 0, 0.0 2,-0.3 0, 0.0 -37,-0.2 -0.561 25.7-165.2 -67.9 145.4 24.3 29.8 14.0 82 132 A I + 0 0 7 -39,-2.1 -39,-0.5 -2,-0.2 2,-0.2 -0.841 29.2 29.0-129.9 162.2 26.0 26.5 14.7 83 133 A G - 0 0 1 -2,-0.3 2,-0.3 -41,-0.2 -41,-0.2 -0.448 42.4-165.6 99.5-152.6 26.3 23.9 17.5 84 134 A G E -D 41 0A 3 -43,-1.9 -43,-2.4 -2,-0.2 2,-0.5 -0.922 48.4 -39.0 147.5-177.7 24.1 22.5 20.3 85 135 A V E +D 40 0A 25 -2,-0.3 2,-0.3 -45,-0.2 -45,-0.2 -0.717 61.7 170.5 -85.4 122.9 24.5 20.4 23.4 86 136 A Y E -D 39 0A 38 -47,-2.7 -47,-3.0 -2,-0.5 2,-0.5 -0.990 35.2-125.4-134.4 142.4 26.9 17.5 22.9 87 137 A E E -D 38 0A 148 -2,-0.3 2,-0.3 -49,-0.2 -49,-0.2 -0.779 38.7-172.8 -83.6 121.4 28.4 14.9 25.4 88 138 A L E -D 37 0A 2 -51,-3.6 -51,-2.5 -2,-0.5 2,-0.3 -0.828 13.0-140.3-120.7 158.5 32.2 15.0 24.9 89 139 A H > - 0 0 117 -2,-0.3 3,-2.4 -53,-0.3 -56,-0.2 -0.879 34.1 -89.5-118.6 148.0 35.1 13.0 26.3 90 140 A A T 3 S+ 0 0 55 -2,-0.3 -56,-0.2 1,-0.3 -55,-0.1 -0.288 117.2 29.5 -44.3 130.8 38.6 13.8 27.5 91 141 A G T 3 S+ 0 0 29 -58,-3.3 -1,-0.3 1,-0.3 2,-0.2 0.194 84.6 137.9 96.0 -18.6 40.8 13.7 24.4 92 142 A D < - 0 0 15 -3,-2.4 -59,-3.4 -59,-0.1 2,-0.5 -0.433 44.6-144.0 -64.5 131.6 38.2 14.7 21.8 93 143 A N E -H 32 0B 59 -61,-0.2 -27,-3.2 -2,-0.2 2,-0.4 -0.822 14.9-163.7 -95.0 129.2 39.3 17.1 19.1 94 144 A I E +HJ 31 65B 3 -63,-2.9 -63,-2.6 -2,-0.5 2,-0.3 -0.953 21.7 145.8-115.3 135.3 36.6 19.6 18.0 95 145 A Y E - 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