==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=25-JUL-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER IMMUNE SYSTEM 01-MAY-10 3MTX . COMPND 2 MOLECULE: PROTEIN MD-1; . SOURCE 2 ORGANISM_SCIENTIFIC: GALLUS GALLUS; . AUTHOR S.I.YOON,M.HONG,G.W.HAN,I.A.WILSON . 278 2 6 6 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 15388.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 200 71.9 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 . 130 46.8 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 . 2 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 1.4 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 . 32 11.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 27 9.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 1 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 0.7 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 . 0 0 1 2 2 0 2 2 4 2 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 2 0 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 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 21 A E 0 0 226 0, 0.0 3,-0.1 0, 0.0 19,-0.1 0.000 360.0 360.0 360.0 -28.6 3.2 21.0 26.4 2 22 A W - 0 0 89 17,-0.4 22,-0.0 1,-0.1 0, 0.0 -0.474 360.0 -95.4 -65.1 152.8 5.0 23.9 27.9 3 23 A P - 0 0 73 0, 0.0 2,-0.6 0, 0.0 16,-0.4 -0.289 31.4-118.2 -71.6 155.2 2.7 26.9 28.1 4 24 A T - 0 0 83 14,-0.1 2,-0.4 -3,-0.1 14,-0.2 -0.870 32.9-148.1 -92.3 123.5 2.7 29.5 25.4 5 25 A H E -A 17 0A 56 12,-3.1 12,-1.9 -2,-0.6 2,-0.5 -0.732 9.0-127.9 -99.2 137.7 3.7 32.8 26.9 6 26 A T E +A 16 0A 92 -2,-0.4 10,-0.2 10,-0.2 3,-0.1 -0.753 32.6 166.7 -82.1 124.5 2.4 36.1 25.7 7 27 A V E + 0 0 21 8,-3.0 2,-0.4 -2,-0.5 23,-0.3 0.794 69.5 7.0-102.0 -46.5 5.4 38.5 25.0 8 28 A a E +A 15 0A 4 7,-2.1 7,-2.6 21,-0.1 -1,-0.4 -0.998 55.6 164.7-138.1 138.0 3.6 41.3 23.1 9 29 A K E +A 14 0A 142 -2,-0.4 2,-0.3 5,-0.2 5,-0.2 -0.687 25.5 137.6-151.9 94.6 0.0 41.9 22.3 10 30 A E E > -A 13 0A 87 3,-3.0 3,-1.8 -2,-0.2 -2,-0.0 -0.799 69.1 -71.8-131.9 177.3 -0.8 45.4 21.0 11 31 A E T 3 S+ 0 0 183 1,-0.3 3,-0.0 -2,-0.3 127,-0.0 0.789 126.8 9.0 -43.1 -52.8 -3.0 46.8 18.3 12 32 A N T 3 S+ 0 0 59 1,-0.1 125,-3.3 124,-0.0 126,-0.6 0.140 121.1 65.2-119.6 19.9 -0.9 45.7 15.4 13 33 A L E < +AB 10 136A 0 -3,-1.8 -3,-3.0 123,-0.2 2,-0.4 -0.973 47.8 172.4-149.3 126.4 1.8 43.4 16.9 14 34 A E E +AB 9 135A 44 121,-2.2 121,-3.2 -2,-0.3 2,-0.3 -0.999 2.2 177.1-137.0 138.0 1.7 40.1 18.7 15 35 A I E +AB 8 134A 7 -7,-2.6 -8,-3.0 -2,-0.4 -7,-2.1 -0.994 3.9 171.8-142.6 128.7 4.5 37.9 19.8 16 36 A Y E -AB 6 133A 41 117,-2.2 117,-2.4 -2,-0.3 2,-0.3 -0.907 10.9-160.0-130.4 154.6 4.3 34.6 21.8 17 37 A Y E -AB 5 132A 8 -12,-1.9 -12,-3.1 -2,-0.3 2,-0.3 -0.986 7.6-172.7-135.6 152.6 6.9 31.9 22.7 18 38 A K E - B 0 131A 63 113,-1.4 113,-2.4 -2,-0.3 2,-0.2 -0.977 29.9-120.2-135.5 130.4 6.8 28.3 23.7 19 39 A S E - B 0 130A 3 -16,-0.4 -17,-0.4 -2,-0.3 111,-0.3 -0.503 18.0-168.8 -63.8 132.5 9.9 26.3 24.9 20 40 A b + 0 0 41 109,-2.3 110,-0.2 -2,-0.2 -1,-0.1 0.170 59.5 104.7-103.5 12.2 10.6 23.3 22.7 21 41 A D > - 0 0 9 108,-0.7 3,-0.5 3,-0.4 108,-0.1 -0.855 64.2-152.8 -88.2 117.6 13.2 22.0 25.2 22 42 A P T 3 S+ 0 0 103 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 0.787 88.7 61.3 -67.3 -21.4 11.3 19.1 26.9 23 43 A Q T 3 S- 0 0 134 1,-0.2 2,-0.3 -3,-0.1 -2,-0.0 0.888 114.4 -9.0 -69.4 -38.4 13.4 19.5 30.1 24 44 A Q < - 0 0 7 -3,-0.5 -3,-0.4 -22,-0.0 -1,-0.2 -0.993 48.3-125.5-160.1 162.2 12.2 23.1 30.9 25 45 A D - 0 0 35 -2,-0.3 2,-0.3 -3,-0.1 -7,-0.0 -0.291 29.2-156.4 -91.4 178.7 10.6 26.4 30.3 26 46 A F - 0 0 33 -2,-0.1 2,-0.4 21,-0.1 21,-0.2 -0.951 18.1-108.3-154.3 167.2 12.3 29.8 30.6 27 47 A A E +L 46 0B 52 19,-2.5 19,-2.1 -2,-0.3 2,-0.3 -0.826 38.0 168.6-104.5 140.3 11.4 33.4 31.2 28 48 A F E +L 45 0B 38 -2,-0.4 2,-0.3 17,-0.2 17,-0.2 -0.941 5.6 170.2-155.3 132.8 11.6 36.0 28.4 29 49 A S E -L 44 0B 59 15,-2.7 15,-2.3 -2,-0.3 2,-0.5 -0.972 23.9-141.5-140.8 152.6 10.4 39.6 28.0 30 50 A I E -L 43 0B 13 -23,-0.3 3,-0.3 -2,-0.3 13,-0.2 -0.978 12.2-147.0-114.0 128.9 10.9 42.4 25.5 31 51 A D S S+ 0 0 76 11,-2.1 2,-0.3 -2,-0.5 -1,-0.1 0.860 90.1 15.8 -65.4 -40.1 11.2 45.9 27.0 32 52 A R > - 0 0 156 10,-0.5 3,-1.7 1,-0.1 4,-0.4 -0.906 68.4-160.3-138.0 107.6 9.5 47.7 24.0 33 53 A a G > S+ 0 0 18 -2,-0.3 3,-2.0 -3,-0.3 4,-0.3 0.867 87.9 61.1 -56.7 -44.1 7.6 45.5 21.6 34 54 A S G > S+ 0 0 45 1,-0.3 3,-1.2 2,-0.2 -1,-0.3 0.686 89.0 74.3 -63.0 -16.1 7.6 47.9 18.6 35 55 A D G X >S+ 0 0 55 -3,-1.7 3,-2.1 1,-0.2 5,-0.5 0.762 76.0 78.5 -67.1 -20.8 11.5 47.8 18.6 36 56 A V G X 5S+ 0 0 15 -3,-2.0 3,-1.5 -4,-0.4 -1,-0.2 0.829 82.8 65.5 -56.5 -28.7 11.3 44.3 17.1 37 57 A T G < 5S+ 0 0 62 -3,-1.2 -1,-0.3 1,-0.3 -2,-0.2 0.707 97.8 53.2 -66.0 -20.4 10.6 46.0 13.7 38 58 A T G < 5S- 0 0 84 -3,-2.1 -1,-0.3 -4,-0.2 -2,-0.2 0.411 108.4-126.2 -92.4 -2.7 14.1 47.5 13.8 39 59 A H T < 5S+ 0 0 11 -3,-1.5 64,-1.8 -4,-0.3 2,-0.4 0.381 89.0 84.0 67.6 -5.7 15.6 44.0 14.3 40 60 A T E < + M 0 102B 59 -5,-0.5 2,-0.3 62,-0.2 62,-0.2 -0.985 56.2 149.7-120.5 125.7 17.5 45.3 17.4 41 61 A F E - M 0 101B 17 60,-2.0 60,-2.0 -2,-0.4 2,-0.4 -0.977 43.5-107.6-151.2 156.0 15.5 45.3 20.7 42 62 A D E + M 0 100B 73 -2,-0.3 -11,-2.1 58,-0.2 -10,-0.5 -0.727 37.5 179.7 -91.9 135.8 16.2 44.9 24.4 43 63 A I E -LM 30 99B 8 56,-2.6 56,-2.1 -2,-0.4 2,-0.4 -0.829 24.3-146.8-126.7 164.4 15.2 41.7 26.2 44 64 A R E +LM 29 98B 111 -15,-2.3 -15,-2.7 -2,-0.3 2,-0.3 -0.995 28.8 172.1-124.4 135.3 15.3 40.2 29.7 45 65 A A E -LM 28 97B 26 52,-2.9 52,-2.6 -2,-0.4 2,-0.3 -0.993 12.2-176.0-146.3 147.6 15.7 36.5 29.9 46 66 A A E +LM 27 96B 26 -19,-2.1 -19,-2.5 -2,-0.3 2,-0.3 -0.990 12.4 151.9-145.5 137.3 16.2 33.8 32.6 47 67 A M E - M 0 95B 23 48,-2.2 48,-3.5 -2,-0.3 2,-0.5 -0.991 43.1-111.1-158.1 155.5 16.8 30.1 32.6 48 68 A V E - M 0 94B 29 -2,-0.3 2,-0.6 46,-0.3 46,-0.2 -0.785 37.1-129.5 -83.8 129.5 18.4 27.3 34.6 49 69 A L + 0 0 0 44,-2.9 43,-2.6 -2,-0.5 79,-0.1 -0.774 29.7 175.8 -81.4 121.2 21.4 25.9 32.6 50 70 A R + 0 0 115 -2,-0.6 2,-0.3 77,-0.3 -1,-0.1 0.399 62.6 48.6-104.4 -1.1 21.0 22.1 32.4 51 71 A Q S S- 0 0 59 39,-0.1 41,-0.2 76,-0.1 2,-0.1 -0.914 91.2 -94.3-135.0 157.4 24.0 21.5 30.1 52 72 A S - 0 0 44 -2,-0.3 71,-0.2 39,-0.1 3,-0.1 -0.403 26.1-161.6 -60.4 144.6 27.7 22.6 29.9 53 73 A I + 0 0 2 36,-0.5 35,-0.4 68,-0.1 36,-0.1 -0.046 43.8 135.0-120.4 35.3 28.2 25.6 27.7 54 74 A K S S+ 0 0 86 1,-0.2 2,-0.4 33,-0.1 -1,-0.1 0.897 90.8 19.5 -47.4 -44.2 32.0 25.1 27.1 55 75 A E S S- 0 0 60 23,-0.1 67,-0.7 -3,-0.1 2,-0.4 -0.974 81.9-168.0-118.7 141.0 30.9 25.9 23.6 56 76 A L E -CD 77 121A 3 21,-1.9 20,-3.0 -2,-0.4 21,-1.9 -0.988 6.9-179.7-132.4 127.9 27.5 27.7 22.9 57 77 A Y E -CD 75 120A 71 63,-2.7 63,-2.1 -2,-0.4 2,-0.4 -0.911 13.3-151.2-125.2 142.3 26.0 27.9 19.4 58 78 A A E -CD 74 119A 14 16,-3.3 16,-2.4 -2,-0.4 2,-0.4 -0.946 6.7-170.0-115.3 142.4 22.8 29.5 18.3 59 79 A K E -CD 73 118A 86 59,-2.2 59,-2.3 -2,-0.4 2,-0.4 -0.991 7.3-170.0-127.8 125.3 20.8 28.5 15.3 60 80 A V E -CD 72 117A 11 12,-3.0 12,-2.6 -2,-0.4 2,-0.4 -0.966 1.4-170.6-122.8 127.4 18.0 30.8 14.2 61 81 A D E -CD 71 116A 23 55,-2.7 55,-2.1 -2,-0.4 2,-0.6 -0.945 14.2-149.2-122.2 133.2 15.4 29.7 11.6 62 82 A L E -CD 70 115A 10 8,-3.0 7,-2.3 -2,-0.4 8,-1.1 -0.934 20.4-169.1-104.1 122.0 12.7 31.9 9.9 63 83 A I E +CD 68 114A 37 51,-3.0 51,-2.6 -2,-0.6 2,-0.4 -0.969 10.6 177.0-122.8 127.6 9.7 29.8 9.2 64 84 A I E > S-C 67 0A 56 3,-2.3 3,-2.0 -2,-0.4 49,-0.1 -0.999 74.4 -10.1-136.3 120.0 6.8 31.1 7.0 65 85 A N T 3 S- 0 0 150 -2,-0.4 -1,-0.1 47,-0.3 3,-0.1 0.884 130.7 -52.8 53.2 44.8 3.9 28.8 6.1 66 86 A G T 3 S+ 0 0 71 1,-0.2 2,-0.5 -3,-0.0 -1,-0.3 0.333 116.3 116.1 77.2 -7.2 5.6 25.8 7.5 67 87 A K E < -C 64 0A 151 -3,-2.0 -3,-2.3 2,-0.0 2,-0.9 -0.815 66.3-134.2-100.6 130.3 8.8 26.4 5.4 68 88 A T E +C 63 0A 71 -2,-0.5 -5,-0.2 -5,-0.2 3,-0.1 -0.683 31.5 171.0 -76.4 108.2 12.2 27.3 6.7 69 89 A V E + 0 0 38 -7,-2.3 145,-2.0 -2,-0.9 2,-0.3 0.592 63.5 15.8 -95.2 -19.0 13.1 30.2 4.5 70 90 A L E +CE 62 213A 15 -8,-1.1 -8,-3.0 143,-0.2 2,-0.3 -0.965 60.1 177.9-156.5 140.2 16.2 31.3 6.3 71 91 A S E +CE 61 212A 19 141,-2.7 141,-2.7 -2,-0.3 2,-0.3 -0.988 5.2 176.8-146.3 136.9 18.5 29.8 8.8 72 92 A Y E -CE 60 211A 16 -12,-2.6 -12,-3.0 -2,-0.3 2,-0.4 -0.980 14.6-149.6-142.0 159.0 21.7 31.1 10.4 73 93 A S E -C 59 0A 53 137,-2.4 2,-0.4 -2,-0.3 -14,-0.2 -0.962 11.3-175.0-130.6 139.6 24.1 30.0 13.0 74 94 A E E -C 58 0A 89 -16,-2.4 -16,-3.3 -2,-0.4 2,-0.5 -0.993 23.5-130.0-135.5 139.1 26.2 32.1 15.3 75 95 A T E +C 57 0A 36 -2,-0.4 -18,-0.2 -18,-0.2 3,-0.1 -0.792 26.5 172.8 -88.5 123.8 28.9 31.1 17.9 76 96 A L E + 0 0 33 -20,-3.0 7,-2.9 -2,-0.5 8,-0.8 0.804 66.3 16.7 -96.8 -40.9 28.3 32.6 21.3 77 97 A c E S+C 56 0A 1 -21,-1.9 -21,-1.9 5,-0.2 -1,-0.3 -0.996 75.7 109.8-136.8 141.0 31.0 30.9 23.4 78 98 A G S > S- 0 0 6 -2,-0.3 3,-2.2 -23,-0.2 4,-0.4 -0.905 71.8 -47.4 172.7 173.8 34.1 29.0 22.6 79 99 A P T 3 S- 0 0 109 0, 0.0 -2,-0.0 0, 0.0 -24,-0.0 -0.374 128.4 -9.5 -57.2 120.7 37.8 29.0 22.7 80 100 A G T 3 S+ 0 0 91 -2,-0.1 -3,-0.0 1,-0.1 0, 0.0 0.580 127.6 80.3 66.7 10.1 38.8 32.4 21.3 81 101 A L < + 0 0 85 -3,-2.2 2,-0.5 0, 0.0 -1,-0.1 0.064 53.3 139.7-134.5 22.7 35.2 33.1 20.2 82 102 A S + 0 0 71 -4,-0.4 -5,-0.2 -5,-0.2 -6,-0.1 -0.639 16.4 168.3 -86.7 120.9 33.4 34.2 23.4 83 103 A K + 0 0 114 -7,-2.9 2,-0.4 -2,-0.5 -1,-0.1 0.632 59.5 60.8-102.5 -20.1 30.9 37.1 22.8 84 104 A L S > S- 0 0 45 -8,-0.8 3,-2.0 1,-0.1 -1,-0.1 -0.926 71.8-136.6-118.7 138.4 29.1 37.1 26.2 85 105 A I T 3 S+ 0 0 179 -2,-0.4 -1,-0.1 1,-0.3 -3,-0.0 0.819 104.8 63.6 -59.7 -31.8 30.5 37.7 29.7 86 106 A F T > S+ 0 0 37 2,-0.1 3,-1.8 10,-0.1 -1,-0.3 0.520 72.6 117.6 -76.9 -3.2 28.4 34.8 31.0 87 107 A c T < + 0 0 24 -3,-2.0 3,-0.1 1,-0.2 -33,-0.1 -0.294 69.1 42.9 -48.3 145.3 30.3 32.3 28.8 88 108 A G T 3 S+ 0 0 59 -35,-0.4 -1,-0.2 1,-0.3 2,-0.1 0.404 77.5 145.3 94.4 -8.5 32.0 29.9 31.2 89 109 A K < - 0 0 75 -3,-1.8 -36,-0.5 -36,-0.1 -1,-0.3 -0.412 49.0-115.9 -59.5 141.6 29.0 29.6 33.5 90 110 A K > - 0 0 156 1,-0.1 3,-2.0 -2,-0.1 -41,-0.2 -0.334 31.8 -85.4 -80.9 156.3 28.7 26.0 34.9 91 111 A K T 3 S+ 0 0 143 1,-0.2 -41,-0.2 -41,-0.1 -1,-0.1 -0.380 117.1 31.8 -52.2 132.6 26.0 23.4 34.5 92 112 A G T 3 S+ 0 0 43 -43,-2.6 -1,-0.2 1,-0.3 -42,-0.1 0.233 87.1 130.9 96.7 -11.6 23.3 24.1 37.1 93 113 A E < - 0 0 78 -3,-2.0 -44,-2.9 -45,-0.1 2,-0.7 -0.450 62.0-120.5 -73.1 150.6 23.7 27.9 37.2 94 114 A H E -M 48 0B 109 -46,-0.2 2,-0.4 -2,-0.1 -46,-0.3 -0.829 33.2-149.2 -88.0 119.1 20.7 30.3 36.9 95 115 A L E -M 47 0B 20 -48,-3.5 -48,-2.2 -2,-0.7 2,-0.4 -0.764 15.9-174.0 -95.7 135.3 21.4 32.4 33.8 96 116 A Y E -M 46 0B 157 -2,-0.4 2,-0.4 -50,-0.2 -50,-0.2 -1.000 2.2-178.2-128.5 126.6 20.2 36.0 33.5 97 117 A Y E +M 45 0B 57 -52,-2.6 -52,-2.9 -2,-0.4 2,-0.4 -0.998 6.1 172.2-122.8 129.6 20.5 38.1 30.4 98 118 A E E +M 44 0B 132 -2,-0.4 -54,-0.2 -54,-0.2 -56,-0.0 -0.963 43.6 63.8-131.1 121.6 19.4 41.7 30.1 99 119 A G E S-M 43 0B 14 -56,-2.1 -56,-2.6 -2,-0.4 -58,-0.1 -0.975 79.3 -24.5 158.0-172.8 20.4 43.6 27.0 100 120 A P E -M 42 0B 71 0, 0.0 2,-0.4 0, 0.0 -58,-0.2 -0.255 38.1-164.0 -72.9 155.2 20.2 43.9 23.3 101 121 A I E -M 41 0B 50 -60,-2.0 -60,-2.0 2,-0.0 2,-0.5 -0.989 4.3-168.4-132.5 131.4 19.3 41.1 20.8 102 122 A T E -M 40 0B 80 -2,-0.4 2,-0.4 -62,-0.2 -62,-0.2 -0.977 9.5-152.0-126.0 116.3 20.1 41.7 17.1 103 123 A L - 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