==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER PROTEIN BINDING 20-NOV-08 3FC0 . COMPND 2 MOLECULE: GITR LIGAND; . SOURCE 2 ORGANISM_SCIENTIFIC: MUS MUSCULUS; . AUTHOR K.CHATTOPADHYAY,U.A.RAMAGOPAL,S.G.NATHENSON,S.C.ALMO . 242 3 2 2 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11730.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 160 66.1 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 . 111 45.9 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 . 24 9.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 16 6.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 3 1.2 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 4 2 2 4 1 2 1 2 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 2 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 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 0 119 0, 0.0 2,-0.4 0, 0.0 20,-0.2 0.000 360.0 360.0 360.0 108.5 -20.9 -17.1 -9.5 2 52 A a + 0 0 2 113,-0.4 113,-2.6 18,-0.1 2,-0.3 -0.930 360.0 148.7-149.3 104.7 -22.3 -13.7 -8.9 3 53 A M E -A 114 0A 1 -2,-0.4 13,-1.8 111,-0.2 2,-0.3 -0.998 15.7-173.8-140.3 144.5 -21.5 -10.4 -10.8 4 54 A V E -AB 113 15A 0 109,-2.3 109,-1.2 -2,-0.3 2,-0.4 -0.977 5.0-164.9-137.5 148.0 -23.5 -7.3 -11.7 5 55 A K E -AB 112 14A 38 9,-2.0 9,-2.7 -2,-0.3 2,-0.5 -0.981 7.6-154.8-137.4 119.3 -22.6 -4.3 -13.8 6 56 A F E -AB 111 13A 2 105,-3.7 105,-1.7 -2,-0.4 2,-0.6 -0.831 6.1-157.5 -95.2 125.6 -24.6 -1.0 -13.8 7 57 A E E >>> -AB 110 12A 28 5,-2.4 4,-1.8 -2,-0.5 5,-0.9 -0.916 5.1-156.7-103.7 118.6 -24.3 1.1 -16.9 8 58 A L T 345S+ 0 0 27 101,-2.3 99,-0.2 -2,-0.6 -1,-0.1 0.811 87.3 66.2 -65.2 -25.4 -25.2 4.7 -16.2 9 59 A S T 345S+ 0 0 69 97,-0.5 -1,-0.2 100,-0.5 98,-0.1 0.866 119.7 18.9 -65.1 -35.7 -26.1 5.4 -19.8 10 60 A S T <45S- 0 0 53 -3,-0.6 -1,-0.2 2,-0.2 -2,-0.2 0.488 96.3-129.0-108.7 -12.4 -29.1 3.1 -19.8 11 61 A S T <5 + 0 0 46 -4,-1.8 2,-0.4 1,-0.2 -3,-0.2 0.849 66.2 131.5 58.5 35.5 -29.6 2.9 -16.0 12 62 A K E < -B 7 0A 91 -5,-0.9 -5,-2.4 16,-0.1 2,-0.4 -0.926 53.9-135.6-118.8 145.2 -29.7 -0.9 -16.4 13 63 A W E -B 6 0A 1 -2,-0.4 231,-2.2 -7,-0.2 2,-0.5 -0.780 11.1-153.0 -90.3 137.6 -27.9 -3.7 -14.6 14 64 A H E -BC 5 243A 51 -9,-2.7 -9,-2.0 -2,-0.4 2,-0.3 -0.964 26.5-173.7-109.1 130.6 -26.3 -6.5 -16.6 15 65 A M E -BC 4 242A 3 227,-3.3 227,-2.1 -2,-0.5 -11,-0.2 -0.867 41.4-125.9-134.2 155.7 -26.1 -9.7 -14.4 16 66 A T S S+ 0 0 24 -13,-1.8 -12,-0.1 -2,-0.3 223,-0.1 0.722 99.7 11.0 -68.2 -26.1 -24.8 -13.3 -14.3 17 67 A S S S- 0 0 38 -14,-0.2 -1,-0.1 225,-0.1 -14,-0.0 -0.953 82.3-103.8-148.5 163.9 -28.4 -14.6 -13.6 18 68 A P S S+ 0 0 82 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.889 119.2 21.7 -58.9 -38.2 -31.9 -13.3 -13.5 19 69 A K S S- 0 0 183 -3,-0.1 5,-0.0 5,-0.0 0, 0.0 -0.721 86.4-146.5-133.4 84.1 -31.8 -13.1 -9.7 20 70 A P - 0 0 12 0, 0.0 3,-0.5 0, 0.0 -18,-0.1 -0.208 5.7-145.9 -49.1 129.3 -28.3 -12.9 -8.4 21 71 A H S S+ 0 0 98 1,-0.2 -19,-0.1 -20,-0.2 3,-0.0 0.764 92.0 52.2 -72.6 -22.7 -28.0 -14.7 -5.1 22 72 A a S S+ 0 0 0 12,-0.1 12,-3.1 1,-0.1 13,-1.5 0.656 115.4 17.9 -93.5 -17.2 -25.4 -12.4 -3.6 23 73 A V E -F 33 0B 2 -3,-0.5 2,-0.4 10,-0.2 10,-0.2 -0.975 54.9-140.3-143.0 159.8 -27.1 -9.0 -4.2 24 74 A N E -F 32 0B 91 8,-1.9 8,-2.9 -2,-0.3 2,-0.3 -0.978 29.5-150.4-111.6 140.6 -30.3 -7.2 -4.9 25 75 A T E -F 31 0B 41 -2,-0.4 2,-0.3 6,-0.2 6,-0.2 -0.779 1.6-144.6-108.6 155.1 -29.9 -4.2 -7.3 26 76 A T > - 0 0 54 4,-2.3 3,-2.1 -2,-0.3 4,-0.2 -0.859 24.6-119.2-115.3 154.5 -31.9 -0.9 -7.6 27 77 A S T 3 S+ 0 0 97 -2,-0.3 -1,-0.1 1,-0.3 217,-0.0 0.704 112.5 60.7 -71.3 -13.5 -32.8 1.0 -10.7 28 78 A D T 3 S- 0 0 96 2,-0.1 -1,-0.3 -16,-0.0 -16,-0.1 0.202 125.7 -97.2 -93.6 18.7 -30.9 4.0 -9.5 29 79 A G S < S+ 0 0 2 -3,-2.1 67,-0.2 1,-0.3 2,-0.2 0.712 79.4 130.9 84.1 24.0 -27.7 2.0 -9.4 30 80 A K - 0 0 81 -4,-0.2 -4,-2.3 65,-0.1 2,-0.4 -0.691 40.5-146.7-105.3 163.4 -27.4 0.9 -5.7 31 81 A L E -FG 25 94B 7 63,-2.6 63,-2.6 -2,-0.2 2,-0.5 -0.959 7.7-155.1-130.6 140.8 -26.8 -2.6 -4.3 32 82 A K E -FG 24 93B 88 -8,-2.9 -8,-1.9 -2,-0.4 2,-0.4 -0.979 25.1-132.3-112.9 131.7 -27.9 -4.4 -1.2 33 83 A I E +F 23 0B 0 59,-3.9 58,-2.8 -2,-0.5 -10,-0.2 -0.628 29.2 172.0 -83.6 128.5 -25.5 -7.1 -0.2 34 84 A L + 0 0 73 -12,-3.1 2,-0.5 -2,-0.4 -11,-0.2 0.703 64.8 53.9-101.7 -27.5 -27.3 -10.4 0.6 35 85 A Q S S- 0 0 75 -13,-1.5 -1,-0.2 54,-0.1 2,-0.2 -0.948 78.7-132.8-116.6 121.3 -24.2 -12.7 1.0 36 86 A S + 0 0 63 -2,-0.5 2,-0.3 -3,-0.1 53,-0.2 -0.456 59.5 93.8 -65.6 137.7 -21.4 -12.0 3.4 37 87 A G E S-D 88 0A 25 51,-2.5 51,-2.7 -2,-0.2 2,-0.5 -0.980 76.3 -46.9 167.0-172.9 -18.0 -12.5 1.7 38 88 A T E -D 87 0A 43 -2,-0.3 78,-2.9 78,-0.3 2,-0.4 -0.756 55.4-176.5 -90.1 120.8 -15.1 -11.0 -0.2 39 89 A Y E -DE 86 115A 0 47,-2.9 47,-2.7 -2,-0.5 2,-0.6 -0.920 27.2-141.5-120.7 150.2 -16.1 -8.7 -3.0 40 90 A L E -DE 85 114A 1 74,-2.5 74,-1.5 -2,-0.4 2,-0.4 -0.951 20.4-161.5-102.5 112.6 -14.4 -6.8 -5.7 41 91 A I E +DE 84 113A 5 43,-2.8 43,-2.1 -2,-0.6 2,-0.3 -0.805 24.8 165.1 -90.1 134.8 -16.2 -3.5 -6.2 42 92 A Y E +DE 83 112A 6 70,-2.3 70,-2.3 -2,-0.4 2,-0.2 -0.901 10.8 123.4-143.8 171.8 -15.3 -2.0 -9.5 43 93 A G E -DE 82 111A 3 39,-0.5 39,-2.3 -2,-0.3 2,-0.4 -0.801 42.0-114.6 154.3 170.2 -16.1 0.6 -12.2 44 94 A Q E -DE 81 110A 23 66,-1.8 66,-2.2 37,-0.3 2,-0.5 -0.996 18.2-158.4-129.5 129.4 -14.9 3.6 -14.2 45 95 A V E -D 80 0A 0 35,-2.6 35,-2.2 -2,-0.4 64,-0.1 -0.954 11.1-154.6-106.5 124.8 -16.4 7.1 -13.8 46 96 A I E - E 0 105A 20 -2,-0.5 59,-2.8 59,-0.5 2,-0.2 -0.879 10.8-150.5-103.5 119.3 -15.8 9.3 -16.8 47 97 A P E - E 0 104A 11 0, 0.0 57,-0.2 0, 0.0 2,-0.1 -0.546 23.1-104.6 -87.2 151.9 -15.8 13.1 -16.1 48 98 A V - 0 0 39 55,-2.8 5,-0.1 -2,-0.2 57,-0.0 -0.506 60.1 -82.3 -61.8 147.5 -16.8 15.8 -18.5 49 99 A D >> - 0 0 83 1,-0.1 3,-2.2 -2,-0.1 4,-0.5 -0.274 35.4-124.8 -56.8 136.7 -13.6 17.5 -19.8 50 100 A K G >4 S+ 0 0 107 27,-0.4 3,-1.5 1,-0.3 -1,-0.1 0.843 107.1 68.4 -53.1 -33.8 -12.2 20.1 -17.3 51 101 A K G 34 S+ 0 0 131 1,-0.3 -1,-0.3 3,-0.1 -2,-0.1 0.785 100.9 48.3 -60.0 -23.5 -12.3 22.8 -20.0 52 102 A Y G <4 S+ 0 0 149 -3,-2.2 2,-0.7 1,-0.0 -1,-0.3 0.567 90.2 88.9 -93.9 -10.8 -16.1 22.6 -20.0 53 103 A I << - 0 0 30 -3,-1.5 -1,-0.0 -4,-0.5 50,-0.0 -0.795 61.5-166.4 -89.8 112.4 -16.4 22.9 -16.2 54 104 A K + 0 0 172 -2,-0.7 2,-0.2 2,-0.0 -1,-0.1 0.195 59.6 45.2 -99.3 20.3 -16.6 26.7 -15.4 55 105 A D S S- 0 0 88 2,-0.1 -2,-0.1 0, 0.0 0, 0.0 -0.728 88.4-100.2-138.4-164.0 -16.0 26.8 -11.7 56 106 A N + 0 0 158 -2,-0.2 -2,-0.0 2,-0.0 -3,-0.0 0.001 62.9 136.1-119.3 32.3 -13.8 25.3 -9.3 57 107 A A - 0 0 32 1,-0.1 -2,-0.1 3,-0.0 43,-0.1 -0.637 56.6-119.0 -74.6 133.2 -15.8 22.5 -7.7 58 108 A P - 0 0 62 0, 0.0 2,-0.8 0, 0.0 18,-0.1 -0.331 14.8-113.8 -77.8 157.5 -13.6 19.5 -7.5 59 109 A F E +H 75 0B 1 16,-0.5 16,-1.1 40,-0.1 2,-0.4 -0.799 51.9 162.1 -87.5 108.0 -14.2 16.1 -9.2 60 110 A V E -H 74 0B 27 -2,-0.8 39,-2.4 14,-0.2 2,-0.4 -0.984 21.0-173.8-134.4 136.3 -14.9 13.7 -6.3 61 111 A V E -HI 73 98B 0 12,-2.5 12,-3.0 -2,-0.4 2,-0.3 -0.998 6.6-170.0-129.9 135.4 -16.5 10.3 -6.1 62 112 A Q E -HI 72 97B 50 35,-2.8 35,-2.3 -2,-0.4 2,-0.5 -0.924 14.0-148.5-122.7 148.1 -17.2 8.4 -3.0 63 113 A I E -HI 71 96B 0 8,-2.0 7,-2.4 -2,-0.3 8,-1.6 -0.987 21.1-158.4-109.9 127.9 -18.4 4.8 -2.4 64 114 A Y E -HI 69 95B 53 31,-3.0 31,-1.7 -2,-0.5 2,-0.5 -0.804 16.1-163.3-103.3 147.5 -20.6 4.3 0.7 65 115 A K E > S-HI 68 94B 45 3,-2.3 3,-2.8 -2,-0.3 29,-0.2 -0.982 76.0 -50.4-123.0 113.8 -21.2 1.1 2.6 66 116 A K T 3 S- 0 0 31 27,-1.7 29,-0.1 -2,-0.5 26,-0.0 -0.400 120.8 -29.1 52.7-122.4 -24.3 1.9 4.7 67 117 A N T 3 S+ 0 0 147 -2,-0.1 2,-0.4 -3,-0.1 -1,-0.3 0.023 119.6 99.0-108.4 23.1 -23.4 5.3 6.3 68 118 A D E < S-H 65 0B 98 -3,-2.8 -3,-2.3 0, 0.0 2,-0.7 -0.842 76.0-125.5-100.6 144.8 -19.6 4.6 6.4 69 119 A V E -H 64 0B 68 -2,-0.4 -5,-0.2 -5,-0.2 3,-0.1 -0.854 24.0-173.4 -90.2 120.0 -17.5 6.1 3.6 70 120 A L E - 0 0 38 -7,-2.4 2,-0.3 -2,-0.7 -6,-0.2 0.886 65.6 -11.2 -80.4 -42.9 -15.6 3.2 2.0 71 121 A Q E -H 63 0B 11 -8,-1.6 -8,-2.0 2,-0.0 2,-0.4 -0.985 52.8-152.5-156.5 150.7 -13.4 5.3 -0.2 72 122 A T E -H 62 0B 67 -2,-0.3 2,-0.4 -10,-0.2 -10,-0.2 -0.995 19.7-171.8-126.4 125.5 -13.1 8.9 -1.5 73 123 A L E +H 61 0B 5 -12,-3.0 -12,-2.5 -2,-0.4 2,-0.3 -0.905 8.7 169.1-120.5 142.5 -11.5 9.5 -4.9 74 124 A M E +H 60 0B 70 -2,-0.4 2,-0.3 -14,-0.2 123,-0.2 -0.996 5.3 152.2-147.5 149.8 -10.5 12.7 -6.6 75 125 A N E -H 59 0B 21 -16,-1.1 2,-1.5 -2,-0.3 -16,-0.5 -0.931 58.1 -78.8-160.0 179.2 -8.4 13.7 -9.7 76 126 A D S S- 0 0 89 119,-0.3 -26,-0.2 -2,-0.3 120,-0.0 -0.436 88.8 -67.8 -91.7 65.1 -8.3 16.5 -12.2 77 127 A F S S+ 0 0 24 -2,-1.5 -27,-0.4 1,-0.2 2,-0.3 0.912 95.6 136.2 54.7 53.3 -11.3 15.5 -14.4 78 128 A Q - 0 0 68 117,-0.1 -1,-0.2 -19,-0.1 -33,-0.1 -0.821 68.9 -71.1-119.7 161.6 -9.6 12.3 -15.7 79 129 A I - 0 0 87 -2,-0.3 -33,-0.2 -33,-0.1 -1,-0.1 -0.268 54.9-153.2 -50.3 136.3 -11.1 8.8 -16.2 80 130 A L E -D 45 0A 8 -35,-2.2 -35,-2.6 114,-0.1 2,-0.1 -0.876 11.0-159.5-128.4 98.6 -11.4 7.4 -12.7 81 131 A P E -D 44 0A 3 0, 0.0 2,-0.3 0, 0.0 -37,-0.3 -0.492 24.7-165.0 -65.2 148.1 -11.3 3.6 -11.9 82 132 A I E +D 43 0A 7 -39,-2.3 -39,-0.5 -2,-0.1 2,-0.2 -0.832 31.4 30.7-129.8 166.6 -13.0 3.0 -8.6 83 133 A G E -D 42 0A 1 -2,-0.3 2,-0.3 -41,-0.2 -41,-0.2 -0.516 44.0-164.8 98.6-149.7 -13.3 0.2 -5.9 84 134 A G E -D 41 0A 2 -43,-2.1 -43,-2.8 -2,-0.2 2,-0.5 -0.907 48.1 -41.4 145.1-178.4 -11.0 -2.6 -4.7 85 135 A V E +D 40 0A 25 -2,-0.3 2,-0.4 -45,-0.2 -45,-0.2 -0.761 63.5 169.8 -87.8 126.5 -11.4 -5.8 -2.6 86 136 A Y E -D 39 0A 38 -47,-2.7 -47,-2.9 -2,-0.5 2,-0.6 -0.995 36.9-124.0-138.9 141.1 -13.6 -5.3 0.4 87 137 A E E -D 38 0A 104 -2,-0.4 2,-0.3 -49,-0.2 -49,-0.2 -0.779 37.7-175.5 -80.3 118.8 -15.2 -7.6 3.0 88 138 A L E -D 37 0A 1 -51,-2.7 -51,-2.5 -2,-0.6 2,-0.3 -0.843 10.8-145.2-115.4 157.2 -18.9 -7.0 2.9 89 139 A H > - 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