==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=29-APR-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE/IMMUNE SYSTEM 11-JAN-12 4D9Q . COMPND 2 MOLECULE: FACTOR D; . SOURCE 2 ORGANISM_SCIENTIFIC: MACACA MULATTA; . AUTHOR J.M.MURRAY,C.WIESMANN . 1310 7 16 16 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 54274.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 840 64.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 22 1.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 478 36.5 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 12 0.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 6 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 11 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 . 2 0.2 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 . 128 9.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 120 9.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 50 3.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 10 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 3 5 0 3 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 . 2 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 0 PARALLEL BRIDGES PER LADDER . 13 18 13 19 9 20 0 0 2 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 0 10 1 1 4 0 2 0 0 0 0 1 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 16 A I 0 0 2 0, 0.0 2,-0.4 0, 0.0 3,-0.4 0.000 360.0 360.0 360.0 121.3 -13.1 -20.5 -70.8 2 17 A L B +A 177 0A 20 175,-3.1 175,-2.0 1,-0.2 130,-0.1 -0.813 360.0 5.2 -96.6 138.3 -12.1 -23.8 -69.1 3 18 A G S S+ 0 0 43 128,-0.4 -1,-0.2 -2,-0.4 2,-0.1 0.669 103.3 115.4 65.7 23.0 -14.7 -25.9 -67.3 4 19 A G - 0 0 35 -3,-0.4 2,-0.3 173,-0.1 140,-0.2 -0.060 57.3-123.9 -99.5-156.7 -17.6 -23.8 -68.4 5 20 A R E -B 143 0B 162 138,-1.8 138,-2.2 -3,-0.1 2,-0.2 -0.929 40.4 -75.3-148.3 159.1 -20.7 -24.3 -70.7 6 21 A E E -B 142 0B 78 -2,-0.3 136,-0.3 136,-0.2 135,-0.1 -0.448 53.5-123.9 -60.9 129.3 -22.1 -22.6 -73.8 7 22 A A - 0 0 3 134,-2.6 2,-0.2 -2,-0.2 -1,-0.1 -0.401 30.0 -94.4 -71.2 155.1 -23.7 -19.4 -72.8 8 23 A E > - 0 0 147 1,-0.1 3,-1.7 -2,-0.1 4,-0.3 -0.510 58.3 -96.8 -66.3 133.5 -27.4 -18.7 -73.8 9 24 A A T 3 S- 0 0 50 1,-0.3 49,-0.1 -2,-0.2 -1,-0.1 -0.356 100.1 -3.5 -63.5 129.9 -27.2 -16.8 -77.0 10 25 A H T 3 S+ 0 0 50 47,-0.3 -1,-0.3 2,-0.2 48,-0.1 0.593 90.9 123.3 71.0 14.0 -27.4 -13.0 -76.6 11 26 A A S < S+ 0 0 49 -3,-1.7 -2,-0.1 1,-0.3 -1,-0.1 0.545 77.8 47.4 -77.6 -12.4 -27.9 -13.2 -72.8 12 27 A R > + 0 0 34 -4,-0.3 3,-1.9 92,-0.1 -1,-0.3 -0.752 69.9 174.3-127.7 73.7 -24.8 -11.0 -72.4 13 28 A P T 3 S+ 0 0 11 0, 0.0 93,-1.2 0, 0.0 43,-0.3 0.612 75.1 64.4 -63.9 -9.6 -25.5 -8.2 -75.0 14 29 A Y T 3 S+ 0 0 25 91,-0.2 16,-2.7 93,-0.1 2,-0.3 0.592 75.8 116.6 -82.7 -17.8 -22.4 -6.3 -73.8 15 30 A M E < -J 29 0C 5 -3,-1.9 42,-0.4 14,-0.2 41,-0.3 -0.402 43.6-175.7 -62.2 117.4 -20.0 -9.2 -75.0 16 31 A A E -J 28 0C 0 12,-2.6 12,-1.3 -2,-0.3 2,-0.6 -0.858 22.1-141.9-113.9 151.9 -17.6 -8.1 -77.7 17 32 A S E -JK 27 54C 0 37,-1.9 37,-2.5 -2,-0.3 2,-0.7 -0.965 15.5-149.0-113.2 109.7 -15.1 -10.1 -79.8 18 33 A V E -JK 26 53C 6 8,-3.0 7,-3.0 -2,-0.6 8,-2.1 -0.751 26.9-167.9 -81.8 112.2 -11.9 -8.1 -80.4 19 34 A Q E -JK 24 52C 14 33,-3.4 33,-2.3 -2,-0.7 2,-0.4 -0.789 24.1-161.0-109.9 152.6 -10.7 -9.4 -83.8 20 35 A V E > S-JK 23 51C 22 3,-2.6 3,-1.2 -2,-0.3 31,-0.2 -0.993 85.5 -10.4-131.7 116.8 -7.5 -9.0 -85.8 21 37 A N T 3 S- 0 0 113 29,-2.0 -1,-0.1 -2,-0.4 30,-0.1 0.897 131.2 -54.5 58.5 44.2 -7.7 -9.8 -89.6 22 38 A G T 3 S+ 0 0 42 28,-0.4 2,-0.4 1,-0.2 -1,-0.3 0.528 116.5 113.7 68.5 13.0 -11.3 -11.2 -89.1 23 39 A E E < S-J 20 0C 133 -3,-1.2 -3,-2.6 0, 0.0 -1,-0.2 -0.948 75.0-107.3-118.0 133.0 -10.1 -13.7 -86.4 24 40 A H E +J 19 0C 33 -2,-0.4 -5,-0.3 -5,-0.2 3,-0.1 -0.351 45.8 159.2 -55.8 124.7 -11.1 -13.6 -82.7 25 41 A L E - 0 0 41 -7,-3.0 2,-0.3 1,-0.4 -6,-0.2 0.739 59.8 -1.0-113.6 -46.6 -8.1 -12.4 -80.6 26 42 A a E -J 18 0C 4 -8,-2.1 -8,-3.0 156,-0.1 -1,-0.4 -0.945 67.0-108.5-142.6 163.3 -9.6 -11.1 -77.3 27 43 A G E -J 17 0C 0 156,-2.3 12,-0.4 -2,-0.3 2,-0.3 -0.330 36.8-175.8 -83.1 172.0 -12.8 -10.6 -75.4 28 44 A G E -J 16 0C 0 -12,-1.3 -12,-2.6 10,-0.1 2,-0.4 -0.963 18.9-132.6-164.8 165.4 -14.2 -7.1 -74.9 29 45 A V E -JL 15 37C 0 8,-1.6 8,-3.0 -2,-0.3 2,-0.6 -0.990 17.9-129.9-137.4 122.8 -17.1 -5.3 -73.2 30 46 A L E + L 0 36C 0 -16,-2.7 78,-2.6 -2,-0.4 6,-0.2 -0.634 35.2 165.0 -71.0 112.3 -19.4 -2.6 -74.6 31 47 A V + 0 0 13 4,-2.4 2,-0.3 -2,-0.6 79,-0.2 0.604 66.6 10.6-104.4 -20.7 -19.2 0.1 -71.9 32 48 A A S S- 0 0 25 3,-1.6 3,-0.5 77,-0.1 -1,-0.3 -0.887 91.3 -91.2-146.3 171.2 -20.7 3.0 -74.0 33 49 A E S S+ 0 0 82 -2,-0.3 66,-3.3 1,-0.2 64,-0.1 0.800 128.1 22.9 -60.0 -32.7 -22.5 3.2 -77.5 34 50 A Q S S+ 0 0 45 64,-0.2 61,-2.7 193,-0.1 2,-0.5 0.316 112.4 87.1-115.1 4.8 -19.1 3.8 -79.3 35 51 A W E - M 0 94C 15 -3,-0.5 -4,-2.4 59,-0.2 -3,-1.6 -0.931 45.4-177.7-122.2 129.5 -16.7 2.3 -76.7 36 52 A V E -LM 30 93C 0 57,-2.5 57,-2.3 -2,-0.5 2,-0.4 -0.970 17.6-148.5-118.0 125.2 -15.4 -1.2 -76.1 37 53 A L E +LM 29 92C 0 -8,-3.0 -8,-1.6 -2,-0.5 55,-0.2 -0.756 32.1 143.3 -98.3 133.1 -13.1 -2.0 -73.1 38 54 A S E - M 0 91C 0 53,-3.5 53,-1.6 -2,-0.4 2,-0.4 -0.564 49.2 -60.4-146.4-159.8 -10.5 -4.7 -73.4 39 55 A A >> - 0 0 0 -12,-0.4 3,-1.6 51,-0.3 4,-0.6 -0.880 32.1-133.1-109.5 135.2 -7.0 -5.5 -72.3 40 56 A A H >> S+ 0 0 3 -2,-0.4 3,-1.3 1,-0.3 4,-0.8 0.842 103.3 60.2 -50.1 -43.7 -3.9 -3.5 -73.3 41 57 A H H 3> S+ 0 0 57 1,-0.2 4,-2.0 2,-0.2 -1,-0.3 0.754 91.4 70.3 -61.3 -22.3 -1.8 -6.6 -74.3 42 58 A a H <> S+ 0 0 1 -3,-1.6 4,-1.6 1,-0.2 -1,-0.2 0.863 95.1 54.3 -60.5 -37.8 -4.4 -7.4 -77.0 43 59 A L H < S+ 0 0 11 -4,-1.6 3,-1.4 -5,-0.2 -1,-0.2 0.865 77.9 145.0 -73.9 -44.1 -2.7 -7.4 -82.8 47 61BA A T 3< S+ 0 0 82 -4,-1.8 -1,-0.2 1,-0.3 -2,-0.1 -0.110 71.1 11.6 46.8-108.6 0.2 -5.2 -84.1 48 61CA D T 3 S+ 0 0 174 -3,-0.1 -1,-0.3 2,-0.1 3,-0.1 0.833 108.4 95.9 -61.2 -46.2 0.1 -4.9 -87.9 49 62 A G S < S- 0 0 15 -3,-1.4 2,-0.5 1,-0.1 -3,-0.0 0.147 85.9 -91.2 -56.2 162.7 -3.4 -6.3 -88.5 50 63 A K - 0 0 123 1,-0.0 -29,-2.0 21,-0.0 2,-0.5 -0.653 40.2-144.2 -77.2 119.8 -6.8 -4.7 -89.0 51 64 A V E +K 20 0C 30 -2,-0.5 21,-1.0 -31,-0.2 2,-0.3 -0.809 27.9 168.6 -90.2 123.0 -8.5 -4.4 -85.5 52 65 A Q E -KN 19 71C 26 -33,-2.3 -33,-3.4 -2,-0.5 2,-0.5 -0.939 26.9-139.3-132.5 154.3 -12.2 -4.9 -85.6 53 66 A V E -KN 18 70C 0 17,-2.5 17,-3.4 -2,-0.3 2,-0.6 -0.974 11.3-153.9-117.8 125.5 -14.9 -5.4 -82.9 54 67 A L E -KN 17 69C 10 -37,-2.5 -37,-1.9 -2,-0.5 2,-0.2 -0.881 17.5-178.3-102.2 119.3 -17.8 -7.9 -83.4 55 68 A L E + N 0 68C 0 13,-2.7 13,-2.1 -2,-0.6 50,-0.1 -0.700 59.6 31.7-109.9 163.9 -21.0 -7.2 -81.5 56 69 A G S S+ 0 0 2 48,-0.5 2,-0.2 -43,-0.3 -1,-0.1 0.598 88.4 143.4 66.8 16.0 -24.3 -9.1 -81.3 57 70 A A + 0 0 8 -42,-0.4 -47,-0.3 -3,-0.2 -1,-0.2 -0.546 29.2 154.6 -91.4 152.0 -22.5 -12.5 -81.7 58 71 A H S S+ 0 0 15 1,-0.6 83,-1.0 4,-0.2 2,-0.3 0.419 81.9 40.4-126.6 -65.0 -23.0 -15.9 -80.3 59 72 A S B -P 140 0D 11 81,-0.2 -1,-0.6 3,-0.2 81,-0.2 -0.675 69.5-154.8 -84.2 133.1 -21.4 -18.1 -83.1 60 73 A L S S+ 0 0 41 79,-2.5 -1,-0.1 -2,-0.3 80,-0.1 0.852 93.4 33.8 -75.0 -36.2 -18.2 -16.5 -84.5 61 74 A S S S+ 0 0 77 78,-0.2 -1,-0.1 2,-0.1 79,-0.0 0.880 100.1 79.9 -88.4 -44.7 -18.6 -18.4 -87.9 62 75 A Q S S- 0 0 123 77,-0.1 -4,-0.2 1,-0.1 -3,-0.2 -0.519 79.1-125.8 -71.5 124.1 -22.4 -18.6 -88.5 63 76 A P + 0 0 116 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 -0.425 34.2 169.7 -72.0 152.7 -24.0 -15.3 -89.9 64 77 A E > - 0 0 69 3,-0.1 3,-0.8 -2,-0.1 0, 0.0 -0.968 44.6-117.0-155.6 151.2 -27.0 -13.7 -88.1 65 78 A P T 3 S+ 0 0 135 0, 0.0 -1,-0.1 0, 0.0 0, 0.0 0.840 114.9 57.2 -67.7 -30.2 -28.9 -10.4 -88.4 66 79 A S T 3 S+ 0 0 34 -10,-0.1 2,-0.2 -3,-0.0 -9,-0.1 0.776 87.8 96.7 -66.4 -28.8 -27.8 -9.4 -84.8 67 80 A K < + 0 0 38 -3,-0.8 2,-0.3 -11,-0.1 -11,-0.2 -0.475 49.9 172.1 -67.6 128.0 -24.1 -9.8 -85.7 68 81 A R E -N 55 0C 110 -13,-2.1 -13,-2.7 -2,-0.2 2,-0.6 -0.969 21.9-150.5-143.5 121.8 -22.3 -6.6 -86.7 69 82 A L E -N 54 0C 67 -2,-0.3 2,-0.3 -15,-0.2 -15,-0.2 -0.841 19.3-161.6 -94.0 119.4 -18.6 -6.1 -87.3 70 83 A Y E -N 53 0C 2 -17,-3.4 -17,-2.5 -2,-0.6 2,-0.2 -0.814 14.0-131.0-104.4 143.3 -17.3 -2.6 -86.5 71 84 A D E -N 52 0C 65 -2,-0.3 25,-2.7 -19,-0.2 2,-0.5 -0.536 29.4-117.1 -81.9 156.1 -14.1 -0.9 -87.6 72 85 A V E -O 95 0C 35 -21,-1.0 23,-0.3 23,-0.2 3,-0.1 -0.888 24.4-173.2-102.4 126.7 -12.1 0.7 -84.8 73 86 A L E S+ 0 0 105 21,-3.4 2,-0.3 -2,-0.5 22,-0.2 0.869 74.8 5.1 -80.8 -45.0 -11.7 4.5 -85.1 74 87 A R E -O 94 0C 123 20,-1.0 20,-3.0 2,-0.0 2,-0.6 -0.992 58.7-151.0-149.6 133.9 -9.2 4.8 -82.2 75 88 A A E -O 93 0C 38 -2,-0.3 18,-0.2 18,-0.2 -3,-0.0 -0.940 16.2-171.1-110.6 108.2 -7.3 2.3 -79.8 76 89 A V E -O 92 0C 25 16,-3.5 16,-2.3 -2,-0.6 2,-0.2 -0.793 2.1-172.9-104.2 90.7 -6.6 3.9 -76.4 77 90 A P E -O 91 0C 43 0, 0.0 14,-0.2 0, 0.0 12,-0.1 -0.539 43.1 -91.3 -78.0 151.3 -4.2 1.7 -74.2 78 91 A H > - 0 0 12 12,-2.4 3,-1.7 10,-0.3 144,-0.0 -0.419 35.9-128.8 -61.0 130.0 -3.7 2.8 -70.6 79 92 A P T 3 S+ 0 0 83 0, 0.0 -1,-0.1 0, 0.0 9,-0.0 0.762 104.9 52.5 -54.9 -26.3 -0.6 5.1 -70.7 80 93 A D T 3 S+ 0 0 80 8,-0.1 2,-0.2 2,-0.0 7,-0.1 0.424 81.3 113.0 -91.2 0.1 1.1 3.2 -67.8 81 94 A S < - 0 0 24 -3,-1.7 7,-0.1 7,-0.3 5,-0.1 -0.544 45.0-172.4 -76.4 134.9 0.7 -0.3 -69.4 82 95 A R > - 0 0 134 5,-0.4 3,-1.1 -2,-0.2 -41,-0.1 -0.904 32.1-122.8-124.0 153.0 4.1 -2.0 -70.4 83 96 A P T 3 S+ 0 0 86 0, 0.0 -1,-0.0 0, 0.0 -2,-0.0 0.712 112.3 50.6 -70.7 -19.0 4.6 -5.4 -72.4 84 97 A D T 3 S+ 0 0 151 2,-0.0 2,-0.2 0, 0.0 -3,-0.0 0.280 108.4 62.6 -98.6 4.5 6.7 -6.9 -69.5 85 98 A T < - 0 0 45 -3,-1.1 -4,-0.0 2,-0.1 0, 0.0 -0.780 63.8-149.0-122.7 168.9 4.0 -6.1 -66.8 86 99 A I > + 0 0 45 -2,-0.2 3,-0.8 77,-0.1 2,-0.1 0.335 65.7 115.5-114.2 -3.8 0.4 -7.1 -66.1 87 100 A D T 3 S+ 0 0 48 1,-0.2 -5,-0.4 -7,-0.1 -2,-0.1 -0.396 80.6 5.4 -71.8 143.9 -0.3 -3.6 -64.4 88 101 A H T 3 S+ 0 0 38 1,-0.2 2,-2.5 -7,-0.1 -10,-0.3 0.789 76.9 171.3 52.9 35.8 -2.9 -1.1 -66.0 89 102 A D < + 0 0 9 -3,-0.8 2,-0.3 -9,-0.1 -1,-0.2 -0.235 27.8 127.7 -74.0 50.7 -3.8 -3.8 -68.6 90 103 A L - 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