==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=27-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER IMMUNE SYSTEM 11-MAR-00 1EL0 . COMPND 2 MOLECULE: I-309; . SOURCE 2 SYNTHETIC: YES; . AUTHOR D.W.KEIZER,M.P.CRUMP,T.W.LEE,C.M.SLUPSKY,I.CLARK-LEWIS, . 74 1 3 3 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 6389.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 32 43.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 2 2.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 12 16.2 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 . 1 1.4 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-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 . 6 8.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 4 5.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 7 9.5 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 1 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 . 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 0 0 0 0 0 PARALLEL BRIDGES PER LADDER . 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 0 ANTIPARALLEL BRIDGES PER LADDER . 0 0 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 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 1 A S 0 0 162 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 130.2 -21.4 -9.3 -17.8 2 2 A K + 0 0 216 1,-0.1 3,-0.0 0, 0.0 4,-0.0 0.836 360.0 108.3 60.7 32.5 -21.0 -6.2 -15.7 3 3 A S + 0 0 111 2,-0.0 -1,-0.1 0, 0.0 0, 0.0 0.847 67.2 43.7-101.6 -60.9 -21.1 -8.5 -12.6 4 4 A M S S- 0 0 165 1,-0.1 2,-0.5 2,-0.0 0, 0.0 -0.073 96.8 -88.5 -76.7-177.2 -17.6 -8.6 -11.2 5 5 A Q - 0 0 128 1,-0.2 4,-0.2 2,-0.1 -1,-0.1 -0.858 27.9-165.3-101.4 124.8 -15.3 -5.6 -10.7 6 6 A V S S+ 0 0 141 -2,-0.5 -1,-0.2 2,-0.1 -2,-0.0 0.993 74.1 40.7 -70.0 -63.3 -13.0 -4.7 -13.6 7 7 A P S S+ 0 0 49 0, 0.0 2,-2.9 0, 0.0 -2,-0.1 0.133 102.5 41.5 -71.1-166.7 -10.6 -2.3 -11.7 8 8 A F S S+ 0 0 80 64,-0.0 -2,-0.1 23,-0.0 23,-0.0 -0.364 78.3 175.8 66.1 -73.1 -9.1 -2.8 -8.2 9 9 A S - 0 0 84 -2,-2.9 3,-0.1 -4,-0.2 2,-0.1 0.082 34.8 -68.4 61.3 178.6 -8.5 -6.5 -8.7 10 10 A R - 0 0 155 1,-0.2 25,-0.0 21,-0.1 -2,-0.0 -0.164 67.9 -59.6 -91.6-170.9 -6.8 -8.7 -6.1 11 11 A a - 0 0 36 1,-0.1 -1,-0.2 -2,-0.1 2,-0.2 0.103 55.7-121.4 -59.7-178.9 -3.2 -8.7 -4.9 12 12 A b - 0 0 67 40,-0.1 3,-0.1 1,-0.1 -1,-0.1 -0.633 4.8-132.5-120.5-179.6 -0.3 -9.3 -7.3 13 13 A F S S+ 0 0 215 1,-0.3 2,-0.6 -2,-0.2 -1,-0.1 0.816 95.7 45.0-100.2 -45.8 2.6 -11.8 -7.6 14 14 A S S S- 0 0 105 2,-0.0 37,-0.5 3,-0.0 -1,-0.3 -0.896 75.9-170.7-105.8 114.0 5.5 -9.4 -8.2 15 15 A F - 0 0 43 -2,-0.6 2,-0.8 -3,-0.1 3,-0.4 -0.288 40.1 -93.4 -93.3-178.3 5.5 -6.4 -5.9 16 16 A A S S+ 0 0 15 35,-1.9 4,-0.3 1,-0.2 36,-0.1 -0.300 71.7 136.1 -92.2 50.6 7.6 -3.2 -6.0 17 17 A E + 0 0 154 -2,-0.8 -1,-0.2 2,-0.1 41,-0.1 0.786 51.2 86.9 -66.8 -26.7 10.2 -4.7 -3.6 18 18 A Q S S- 0 0 155 -3,-0.4 2,-0.8 1,-0.1 40,-0.1 0.173 106.2 -83.0 -59.8-172.3 12.9 -3.2 -5.9 19 19 A E + 0 0 169 39,-0.0 -1,-0.1 2,-0.0 -2,-0.1 -0.354 59.3 175.7 -94.4 53.9 14.2 0.3 -5.6 20 20 A I - 0 0 49 -2,-0.8 2,-0.1 -4,-0.3 -4,-0.0 -0.434 18.2-147.8 -61.8 120.6 11.4 1.9 -7.6 21 21 A P >> - 0 0 52 0, 0.0 3,-1.5 0, 0.0 4,-1.4 -0.350 25.4-106.5 -87.6 171.9 11.9 5.7 -7.5 22 22 A L T 34 S+ 0 0 61 1,-0.3 -2,-0.1 2,-0.2 40,-0.0 0.766 114.6 73.9 -67.5 -23.8 9.3 8.5 -7.5 23 23 A R T 34 S+ 0 0 217 1,-0.2 -1,-0.3 21,-0.0 -3,-0.0 0.723 108.5 33.0 -61.6 -19.1 10.3 9.2 -11.1 24 24 A A T <4 S+ 0 0 39 -3,-1.5 21,-0.8 20,-0.1 22,-0.3 0.668 117.4 60.3-107.3 -26.5 8.4 6.0 -11.9 25 25 A I E < +A 44 0A 5 -4,-1.4 19,-0.3 19,-0.2 3,-0.1 -0.656 49.7 180.0-103.0 159.4 5.7 6.1 -9.3 26 26 A L E - 0 0 72 17,-3.6 2,-0.3 1,-0.5 18,-0.2 0.639 65.3 -4.0-124.9 -39.6 3.0 8.8 -8.8 27 27 A c E -A 43 0A 19 16,-1.1 16,-2.6 39,-0.1 -1,-0.5 -0.990 56.7-142.6-156.2 157.8 0.9 7.8 -5.9 28 28 A Y E +Ab 42 68A 36 39,-0.9 41,-1.0 -2,-0.3 2,-0.3 -0.898 15.7 174.9-126.6 156.6 0.4 5.0 -3.4 29 29 A R E -A 41 0A 46 12,-3.6 12,-2.2 -2,-0.3 2,-0.1 -0.943 29.8-116.7-161.0 136.6 -2.7 3.4 -1.7 30 30 A N E -A 40 0A 85 -2,-0.3 10,-0.3 10,-0.2 2,-0.2 -0.427 31.7-143.8 -73.8 148.3 -3.3 0.4 0.6 31 31 A T - 0 0 30 8,-2.9 8,-0.3 22,-0.3 -1,-0.1 -0.492 28.3 -74.3-106.1 178.0 -5.4 -2.4 -0.7 32 32 A S > - 0 0 81 -2,-0.2 3,-0.6 1,-0.1 -1,-0.3 0.164 53.0 -94.6 -57.7-175.5 -7.9 -4.8 0.9 33 33 A S G > S+ 0 0 108 1,-0.2 3,-0.7 2,-0.1 -1,-0.1 0.206 95.0 109.3 -90.5 16.1 -7.0 -7.6 3.3 34 34 A I G 3 S+ 0 0 77 1,-0.3 -1,-0.2 2,-0.1 -24,-0.1 0.874 74.6 57.6 -58.4 -36.5 -7.0 -10.0 0.3 35 35 A a G < S- 0 0 16 -3,-0.6 -1,-0.3 1,-0.1 -2,-0.1 0.838 93.1-152.8 -62.6 -32.6 -3.2 -10.2 0.6 36 36 A S S < S+ 0 0 104 -3,-0.7 -2,-0.1 -4,-0.1 -3,-0.1 0.823 79.8 62.2 61.7 31.2 -3.6 -11.3 4.2 37 37 A N S S- 0 0 90 16,-0.1 -4,-0.0 0, 0.0 -3,-0.0 -0.072 126.2 -49.6 178.9 62.6 -0.2 -9.8 5.0 38 38 A E - 0 0 117 1,-0.2 2,-0.6 16,-0.1 -5,-0.1 0.933 62.3-153.3 61.0 96.7 -0.1 -6.0 4.5 39 39 A G + 0 0 10 -8,-0.3 -8,-2.9 -7,-0.2 2,-0.3 -0.898 20.6 169.7-106.8 118.5 -1.5 -5.2 1.0 40 40 A L E -AC 30 52A 1 12,-3.6 12,-3.5 -2,-0.6 2,-0.3 -0.898 10.2-171.8-126.5 156.0 -0.2 -2.0 -0.7 41 41 A I E -AC 29 51A 7 -12,-2.2 -12,-3.6 -2,-0.3 10,-0.2 -0.958 2.6-162.4-143.1 160.0 -0.6 -0.6 -4.2 42 42 A F E -AC 28 50A 2 8,-2.8 8,-1.1 -2,-0.3 2,-0.4 -0.786 15.3-124.7-134.9 179.1 0.8 2.3 -6.2 43 43 A K E -AC 27 49A 51 -16,-2.6 -17,-3.6 6,-0.3 -16,-1.1 -0.994 22.9-171.6-131.5 135.5 0.2 4.4 -9.3 44 44 A L E -A 25 0A 26 4,-2.6 3,-0.4 -2,-0.4 4,-0.3 -0.624 35.0-114.9-118.0 178.3 2.6 4.9 -12.2 45 45 A K S S+ 0 0 158 -21,-0.8 -20,-0.1 -2,-0.2 -1,-0.1 0.719 102.8 79.7 -85.7 -22.8 2.6 7.2 -15.3 46 46 A R S S- 0 0 220 -22,-0.3 -1,-0.2 1,-0.1 3,-0.1 0.751 119.5 -98.6 -55.7 -22.6 2.5 4.2 -17.7 47 47 A G S S+ 0 0 54 -3,-0.4 2,-0.3 1,-0.4 -2,-0.1 0.776 91.5 75.0 104.9 41.2 -1.3 4.2 -16.9 48 48 A K S S- 0 0 116 -4,-0.3 -4,-2.6 26,-0.0 -1,-0.4 -0.902 71.0-103.1-160.2-173.9 -1.5 1.4 -14.3 49 49 A E E -C 43 0A 55 -2,-0.3 2,-0.4 -6,-0.2 -6,-0.3 -0.823 20.1-139.0-123.8 164.0 -0.8 0.5 -10.7 50 50 A A E -C 42 0A 27 -8,-1.1 -8,-2.8 -2,-0.3 2,-0.2 -0.935 17.0-126.1-124.4 146.6 1.8 -1.5 -8.9 51 51 A b E +C 41 0A 9 -37,-0.5 -35,-1.9 -2,-0.4 -10,-0.3 -0.630 36.4 151.8 -93.0 151.0 1.5 -4.0 -6.0 52 52 A A E -C 40 0A 1 -12,-3.5 -12,-3.6 -37,-0.3 -40,-0.1 -0.919 45.8-108.4-159.6-179.7 3.4 -3.8 -2.7 53 53 A L - 0 0 61 -14,-0.3 -22,-0.3 -2,-0.3 -1,-0.2 0.939 46.9-113.4 -84.1 -79.4 3.1 -4.7 1.0 54 54 A D S S+ 0 0 52 -14,-0.1 3,-0.2 -15,-0.1 2,-0.1 -0.140 97.4 30.4 174.9 -61.4 2.7 -1.5 3.0 55 55 A T + 0 0 92 1,-0.2 -17,-0.0 4,-0.1 3,-0.0 -0.414 69.7 134.8-118.8 55.8 5.7 -0.7 5.3 56 56 A V S S- 0 0 63 -2,-0.1 -1,-0.2 1,-0.1 -39,-0.0 0.885 73.2-110.8 -68.2 -41.2 8.5 -2.2 3.2 57 57 A G S >> S+ 0 0 25 -3,-0.2 4,-1.0 0, 0.0 3,-0.5 -0.425 110.4 62.9 140.6 -58.0 10.7 0.8 3.7 58 58 A W H 3> S+ 0 0 29 1,-0.2 4,-0.8 2,-0.2 5,-0.1 0.637 97.0 64.6 -70.7 -12.0 10.9 2.5 0.3 59 59 A V H 3> S+ 0 0 0 2,-0.2 4,-4.0 1,-0.2 5,-0.3 0.866 93.6 59.8 -76.7 -37.3 7.1 3.0 0.6 60 60 A Q H <> S+ 0 0 64 -3,-0.5 4,-2.3 1,-0.2 -2,-0.2 0.922 106.6 44.9 -56.5 -48.0 7.6 5.3 3.6 61 61 A R H X S+ 0 0 159 -4,-1.0 4,-0.7 2,-0.2 -1,-0.2 0.802 117.6 46.8 -68.8 -25.6 9.7 7.8 1.6 62 62 A H H X S+ 0 0 7 -4,-0.8 4,-3.1 2,-0.2 -2,-0.2 0.892 118.4 39.3 -80.0 -42.1 7.1 7.5 -1.2 63 63 A R H < S+ 0 0 98 -4,-4.0 -2,-0.2 2,-0.2 -3,-0.2 0.706 107.0 65.5 -80.4 -19.5 4.1 7.9 1.0 64 64 A K H < S+ 0 0 151 -4,-2.3 -1,-0.2 -5,-0.3 -2,-0.2 0.853 118.4 25.7 -68.9 -32.0 6.0 10.6 3.1 65 65 A M H < S+ 0 0 152 -4,-0.7 -2,-0.2 -5,-0.2 -3,-0.1 0.876 128.3 43.7 -94.0 -51.6 5.9 12.7 -0.1 66 66 A L S < S- 0 0 55 -4,-3.1 2,-0.3 -5,-0.2 -39,-0.1 -0.196 73.8-153.0 -84.7-179.0 2.9 11.3 -1.8 67 67 A R - 0 0 207 -2,-0.0 -39,-0.9 -39,-0.0 2,-0.2 -0.857 39.4 -50.2-146.1-180.0 -0.5 10.4 -0.3 68 68 A H B -b 28 0A 84 -2,-0.3 -39,-0.2 -41,-0.1 -5,-0.0 -0.394 68.3-108.4 -60.5 120.8 -3.5 8.2 -0.7 69 69 A c - 0 0 27 -41,-1.0 2,-0.1 -2,-0.2 -1,-0.1 -0.173 36.6-120.2 -50.5 139.0 -4.7 8.5 -4.3 70 70 A P + 0 0 121 0, 0.0 3,-0.3 0, 0.0 -1,-0.1 -0.436 69.2 3.0 -83.6 159.4 -8.0 10.5 -4.6 71 71 A S S S- 0 0 100 1,-0.2 3,-0.0 -2,-0.1 0, 0.0 -0.008 73.9-112.8 60.1-172.2 -11.3 9.1 -6.0 72 72 A K S S+ 0 0 156 1,-0.1 2,-0.4 2,-0.1 -1,-0.2 -0.012 79.8 95.5-149.9 32.7 -11.6 5.5 -7.3 73 73 A R 0 0 222 -3,-0.3 -1,-0.1 -66,-0.0 0, 0.0 -0.955 360.0 360.0-134.1 115.5 -12.0 5.9 -11.0 74 74 A K 0 0 173 -2,-0.4 -2,-0.1 -3,-0.0 -26,-0.0 -0.246 360.0 360.0-105.5 360.0 -9.1 5.6 -13.5