==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-JAN-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LYASE 14-MAY-10 3N0Z . COMPND 2 MOLECULE: ADENYLATE CYCLASE 2; . SOURCE 2 ORGANISM_SCIENTIFIC: YERSINIA PESTIS; . AUTHOR D.T.GALLAGHER,P.T.REDDY . 351 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 17107.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 269 76.6 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 . 133 37.9 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 1.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.6 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 0.6 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 . 29 8.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 28 8.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 67 19.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 11 3.1 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 1 1 0 0 0 0 4 0 0 1 0 1 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 . 4 0 0 0 2 2 6 2 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 0 0 0 0 0 2 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 5 A F 0 0 124 0, 0.0 2,-0.5 0, 0.0 80,-0.2 0.000 360.0 360.0 360.0 37.4 -9.2 -3.4 18.6 2 6 A V + 0 0 116 134,-0.1 2,-0.3 78,-0.1 3,-0.1 -0.768 360.0 53.8 -93.2 121.5 -8.1 -6.9 19.8 3 7 A G S S- 0 0 2 -2,-0.5 135,-0.3 78,-0.1 78,-0.3 -0.891 73.1-104.4 151.4 175.0 -5.4 -8.6 17.8 4 8 A K S S+ 0 0 61 133,-1.9 75,-2.8 -2,-0.3 2,-0.4 0.417 99.5 56.1-112.2 -10.3 -2.0 -8.9 16.2 5 9 A Y E -AB 78 137A 29 132,-2.3 132,-2.0 73,-0.3 2,-0.6 -0.988 59.1-162.0-129.6 139.5 -3.2 -8.2 12.7 6 10 A E E - B 0 136A 37 71,-3.3 2,-0.6 -2,-0.4 130,-0.2 -0.954 12.1-157.7-119.9 107.6 -5.2 -5.4 11.2 7 11 A V E + B 0 135A 0 128,-3.0 128,-2.0 -2,-0.6 2,-0.3 -0.754 29.6 168.5 -84.3 121.8 -6.7 -6.4 7.9 8 12 A E E - B 0 134A 58 -2,-0.6 2,-0.4 126,-0.2 126,-0.2 -0.947 35.9-163.3-138.2 156.3 -7.4 -3.1 6.0 9 13 A L E - B 0 133A 9 124,-2.0 124,-2.5 -2,-0.3 2,-0.4 -0.964 22.1-157.6-132.5 127.4 -8.3 -1.6 2.6 10 14 A K E - B 0 132A 17 -2,-0.4 155,-2.9 155,-0.3 2,-0.3 -0.838 11.4-177.7-110.2 142.9 -7.6 2.1 2.2 11 15 A F E -CB 164 131A 0 120,-2.7 120,-2.1 -2,-0.4 2,-0.3 -0.982 30.0-120.0-135.8 144.6 -9.3 4.6 -0.3 12 16 A R E - B 0 130A 97 151,-2.9 2,-0.5 -2,-0.3 118,-0.3 -0.647 34.6-137.6 -71.3 141.5 -9.2 8.2 -1.3 13 17 A V + 0 0 15 116,-2.3 116,-0.4 -2,-0.3 3,-0.2 -0.946 24.0 179.6-108.2 125.5 -12.5 9.7 -0.7 14 18 A M S S+ 0 0 132 -2,-0.5 2,-0.4 1,-0.3 -1,-0.1 0.802 76.5 33.2 -92.1 -35.3 -13.8 12.0 -3.4 15 19 A D > - 0 0 81 1,-0.1 4,-1.9 2,-0.0 -1,-0.3 -0.880 55.4-175.8-132.4 104.1 -17.1 12.9 -1.8 16 20 A L H > S+ 0 0 56 -2,-0.4 4,-2.5 1,-0.2 5,-0.1 0.804 87.3 59.5 -64.9 -31.7 -17.4 13.2 2.0 17 21 A T H > S+ 0 0 90 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.925 107.1 45.1 -61.7 -47.0 -21.2 13.8 1.8 18 22 A T H > S+ 0 0 62 2,-0.2 4,-4.4 1,-0.2 -2,-0.2 0.905 112.7 52.0 -64.6 -44.5 -21.8 10.4 0.0 19 23 A L H X S+ 0 0 0 -4,-1.9 4,-3.0 2,-0.2 -1,-0.2 0.922 109.2 50.0 -53.9 -47.8 -19.5 8.7 2.5 20 24 A H H X S+ 0 0 73 -4,-2.5 4,-2.3 2,-0.2 -2,-0.2 0.893 115.3 42.3 -67.4 -33.7 -21.5 10.3 5.4 21 25 A E H X S+ 0 0 119 -4,-2.2 4,-2.4 2,-0.2 5,-0.3 0.933 110.9 56.0 -69.5 -46.2 -24.7 9.0 3.8 22 26 A Q H X S+ 0 0 35 -4,-4.4 4,-1.5 1,-0.2 -2,-0.2 0.919 112.5 46.2 -45.2 -46.7 -23.0 5.7 3.0 23 27 A L H <>S+ 0 0 5 -4,-3.0 5,-1.8 2,-0.2 -2,-0.2 0.952 111.1 47.1 -63.7 -60.2 -22.3 5.6 6.8 24 28 A V H ><5S+ 0 0 111 -4,-2.3 3,-2.3 1,-0.2 -2,-0.2 0.903 109.1 55.3 -48.6 -53.9 -25.8 6.6 8.1 25 29 A A H 3<5S+ 0 0 78 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.933 108.7 47.4 -43.7 -59.3 -27.6 4.1 5.8 26 30 A Q T 3<5S- 0 0 64 -4,-1.5 -1,-0.3 -5,-0.3 -2,-0.2 0.383 116.5-118.9 -69.4 0.7 -25.5 1.2 7.2 27 31 A K T < 5 - 0 0 175 -3,-2.3 -3,-0.2 -4,-0.2 -2,-0.1 0.796 40.3-165.9 67.6 33.6 -26.2 2.5 10.7 28 32 A A < - 0 0 26 -5,-1.8 2,-0.5 86,-0.1 86,-0.2 -0.150 12.8-135.3 -54.3 138.2 -22.6 3.2 11.7 29 33 A T E -D 113 0A 85 84,-2.8 84,-2.6 86,-0.1 2,-0.3 -0.840 18.4-126.1 -93.9 129.0 -21.7 3.8 15.4 30 34 A A E +D 112 0A 53 -2,-0.5 82,-0.2 82,-0.2 3,-0.1 -0.624 31.3 171.9 -75.9 131.8 -19.4 6.7 16.1 31 35 A F E S- 0 0 91 80,-3.1 2,-0.4 1,-0.5 81,-0.2 0.794 72.3 -8.5 -99.1 -61.6 -16.4 5.7 18.2 32 36 A T E S-D 111 0A 17 79,-1.3 79,-3.0 3,-0.0 -1,-0.5 -0.993 72.6-154.0-133.7 142.9 -14.2 8.8 18.2 33 37 A L E - 0 0 87 -2,-0.4 77,-0.2 77,-0.2 31,-0.1 -0.969 61.3 -13.6-125.1 137.9 -15.0 11.8 16.0 34 38 A N E S+ 0 0 104 -2,-0.4 2,-0.4 1,-0.2 76,-0.2 0.851 77.6 169.3 46.3 52.0 -12.7 14.6 14.6 35 39 A N E -D 109 0A 6 74,-2.9 74,-3.0 -3,-0.1 2,-0.6 -0.749 36.2-130.8 -90.6 139.5 -9.7 13.9 16.7 36 40 A H E -DE 108 62A 59 26,-3.1 26,-2.5 -2,-0.4 2,-0.5 -0.807 28.7-163.1 -80.6 120.8 -6.4 15.4 15.9 37 41 A E E -DE 107 61A 1 70,-3.1 70,-2.2 -2,-0.6 2,-0.5 -0.964 8.9-168.8-111.9 125.8 -3.9 12.5 15.9 38 42 A K E -DE 106 60A 70 22,-2.4 22,-2.5 -2,-0.5 2,-0.6 -0.973 6.1-167.1-112.4 119.1 -0.2 13.3 16.2 39 43 A D E -DE 105 59A 1 66,-2.9 66,-2.3 -2,-0.5 2,-0.6 -0.941 6.5-161.9-112.5 118.9 2.0 10.3 15.5 40 44 A I E -DE 104 58A 12 18,-2.7 18,-2.5 -2,-0.6 2,-0.5 -0.907 14.6-150.1 -96.0 120.2 5.7 10.4 16.4 41 45 A Y E -DE 103 57A 7 62,-2.8 61,-3.5 -2,-0.6 62,-1.0 -0.781 12.2-159.9 -91.9 132.7 7.5 7.7 14.5 42 46 A L E +DE 101 56A 4 14,-3.0 14,-0.6 -2,-0.5 2,-0.3 -0.887 17.2 159.1-113.5 144.2 10.7 6.3 16.2 43 47 A D E -D 100 0A 14 57,-2.1 57,-2.5 -2,-0.4 2,-0.1 -0.972 41.2 -94.0-153.3 166.1 13.6 4.4 14.7 44 48 A A > - 0 0 12 -2,-0.3 3,-2.8 55,-0.2 55,-0.2 -0.357 48.8 -99.7 -79.8 163.6 17.2 3.5 15.5 45 49 A N T 3 S+ 0 0 146 53,-0.5 -1,-0.1 1,-0.3 54,-0.1 0.839 126.3 49.4 -60.4 -30.3 20.0 5.8 14.1 46 50 A G T 3 S- 0 0 33 1,-0.0 -1,-0.3 0, 0.0 5,-0.1 0.152 117.7-111.7 -88.6 16.8 20.6 3.3 11.3 47 51 A Q <> + 0 0 115 -3,-2.8 4,-2.3 1,-0.1 5,-0.2 0.824 59.0 164.9 52.6 38.1 16.8 3.2 10.4 48 52 A D T 4 + 0 0 79 1,-0.2 4,-0.3 2,-0.2 6,-0.1 0.811 67.2 47.4 -53.8 -41.5 17.0 -0.4 11.7 49 53 A L T >4>S+ 0 0 5 2,-0.2 5,-2.4 1,-0.2 3,-1.5 0.924 110.0 50.9 -70.5 -43.9 13.3 -0.8 12.0 50 54 A A G >45S+ 0 0 32 1,-0.3 3,-2.0 3,-0.2 -2,-0.2 0.888 103.2 60.4 -59.3 -39.6 12.4 0.6 8.6 51 55 A K G 3<5S+ 0 0 171 -4,-2.3 -1,-0.3 1,-0.3 -2,-0.2 0.652 108.0 47.3 -61.3 -15.5 15.0 -1.8 7.0 52 56 A Q G < 5S- 0 0 102 -3,-1.5 -1,-0.3 -4,-0.3 -2,-0.2 0.230 120.5-107.0-107.0 8.5 12.8 -4.6 8.5 53 57 A Q T < 5S+ 0 0 144 -3,-2.0 22,-0.9 1,-0.3 2,-0.4 0.819 79.4 134.5 68.2 29.9 9.4 -3.2 7.3 54 58 A I < - 0 0 2 -5,-2.4 2,-0.4 19,-0.2 -1,-0.3 -0.907 36.2-172.3-113.2 138.8 8.6 -2.1 10.9 55 59 A S E - F 0 72A 16 17,-2.4 17,-2.9 -2,-0.4 2,-0.4 -0.969 4.9-163.6-123.8 145.7 7.2 1.2 12.1 56 60 A M E -EF 42 71A 0 -14,-0.6 -14,-3.0 -2,-0.4 2,-0.4 -0.996 14.8-176.9-132.8 129.0 6.9 2.2 15.8 57 61 A V E -EF 41 70A 0 13,-2.3 13,-2.9 -2,-0.4 2,-0.6 -0.940 27.1-153.1-129.6 137.7 4.7 5.1 16.7 58 62 A L E -EF 40 69A 0 -18,-2.5 -18,-2.7 -2,-0.4 2,-0.5 -0.987 31.0-162.2-104.6 122.3 3.7 7.0 19.8 59 63 A R E -EF 39 68A 31 9,-3.1 9,-2.1 -2,-0.6 2,-0.5 -0.896 15.7-170.0-113.1 130.0 0.2 8.3 19.1 60 64 A E E -EF 38 67A 46 -22,-2.5 -22,-2.4 -2,-0.5 2,-0.5 -0.980 7.4-166.5-115.7 126.8 -1.6 11.2 20.9 61 65 A M E > -E 37 0A 8 5,-2.7 4,-1.2 -2,-0.5 5,-0.3 -0.946 17.9-132.9-117.0 122.0 -5.3 11.7 20.0 62 66 A N E 4 S+E 36 0A 62 -26,-2.5 -26,-3.1 -2,-0.5 -2,-0.0 -0.980 77.4 7.7-127.1 138.8 -7.1 14.9 21.1 63 67 A P T 4 S+ 0 0 111 0, 0.0 -1,-0.2 0, 0.0 -28,-0.1 -0.990 122.9 63.3 -88.4 2.7 -9.7 15.6 22.5 64 68 A S T 4 S- 0 0 44 1,-0.1 -2,-0.2 -31,-0.1 -29,-0.0 0.718 93.1-138.2 -57.9 -20.7 -10.3 11.9 23.2 65 69 A G < + 0 0 40 -4,-1.2 -3,-0.2 1,-0.2 -1,-0.1 0.394 48.1 151.3 73.8 1.1 -7.2 11.8 25.4 66 70 A I - 0 0 40 -5,-0.3 -5,-2.7 -6,-0.1 2,-0.4 -0.350 24.0-172.1 -65.7 134.0 -6.1 8.4 24.0 67 71 A R E -F 60 0A 60 -7,-0.2 17,-2.7 17,-0.2 2,-0.3 -0.980 8.3-178.3-133.0 126.4 -2.3 7.7 24.0 68 72 A L E -FG 59 83A 24 -9,-2.1 -9,-3.1 -2,-0.4 2,-0.5 -0.931 27.1-151.2-129.4 141.2 -1.0 4.6 22.2 69 73 A W E -FG 58 82A 1 13,-2.4 13,-2.5 -2,-0.3 2,-0.4 -0.978 32.0-170.3-105.7 125.8 2.4 3.0 21.7 70 74 A I E -FG 57 81A 8 -13,-2.9 -13,-2.3 -2,-0.5 2,-0.5 -0.966 20.2-166.8-124.5 134.7 2.1 1.1 18.3 71 75 A V E -FG 56 80A 4 9,-2.9 9,-2.6 -2,-0.4 2,-0.4 -0.991 15.4-173.0-122.7 116.7 4.4 -1.4 16.7 72 76 A K E -FG 55 79A 57 -17,-2.9 -17,-2.4 -2,-0.5 7,-0.2 -0.915 27.4 -42.0-107.5 136.6 3.5 -2.1 13.0 73 77 A G - 0 0 2 5,-2.8 -19,-0.2 -2,-0.4 2,-0.2 -0.374 17.7-141.9 101.4-180.0 5.1 -4.8 10.8 74 78 A P S S- 0 0 60 0, 0.0 4,-0.5 0, 0.0 3,-0.3 0.488 113.4 -6.9 -67.4 142.0 7.0 -6.5 9.5 75 79 A G S S- 0 0 25 -22,-0.9 -23,-0.0 -2,-0.2 -2,-0.0 -0.102 101.6 -64.1 84.7 176.9 4.8 -5.9 6.5 76 80 A A S S+ 0 0 92 1,-0.2 -68,-0.2 -3,-0.1 -1,-0.2 0.168 121.4 46.2 -93.6 19.2 1.5 -4.2 6.1 77 81 A E S S+ 0 0 62 -3,-0.3 -71,-3.3 -70,-0.1 2,-0.2 0.687 81.8 92.3-123.2 -38.3 -0.8 -6.4 8.3 78 82 A R B +A 5 0A 77 -4,-0.5 -5,-2.8 -73,-0.2 2,-0.3 -0.484 51.1 157.5 -64.2 125.7 0.9 -7.0 11.6 79 83 A C E +G 72 0A 19 -75,-2.8 2,-0.3 -7,-0.2 -7,-0.2 -0.906 14.4 170.9-156.8 124.8 -0.1 -4.4 14.1 80 84 A E E -G 71 0A 14 -9,-2.6 -9,-2.9 -2,-0.3 2,-0.3 -0.983 7.9-176.2-134.8 144.1 -0.1 -4.3 18.0 81 85 A A E -G 70 0A 39 -2,-0.3 2,-0.4 -78,-0.3 -11,-0.2 -0.974 11.3-160.4-136.4 153.9 -0.8 -1.4 20.3 82 86 A S E -G 69 0A 7 -13,-2.5 -13,-2.4 -2,-0.3 2,-0.2 -1.000 26.3-120.7-132.5 131.4 -0.8 -0.7 24.0 83 87 A N E -G 68 0A 73 -2,-0.4 179,-0.4 -15,-0.2 2,-0.4 -0.511 34.9-158.4 -63.5 137.6 -2.5 2.2 25.8 84 88 A I - 0 0 14 -17,-2.7 -17,-0.2 -2,-0.2 3,-0.2 -0.943 21.7-150.0-126.9 148.7 -0.0 4.2 27.7 85 89 A E S S+ 0 0 139 175,-0.4 2,-0.5 -2,-0.4 -1,-0.1 0.894 87.3 23.9 -73.7 -47.4 -0.3 6.6 30.6 86 90 A D > - 0 0 63 1,-0.1 4,-2.0 -19,-0.0 -1,-0.3 -0.954 58.1-164.8-139.3 105.0 2.5 9.0 29.8 87 91 A V H > S+ 0 0 14 -2,-0.5 4,-2.5 1,-0.2 5,-0.2 0.871 91.9 52.0 -58.6 -42.2 3.9 9.5 26.4 88 92 A S H > S+ 0 0 80 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.876 108.2 52.6 -68.8 -31.2 7.1 11.2 27.5 89 93 A K H > S+ 0 0 37 2,-0.2 4,-2.3 1,-0.2 -2,-0.2 0.960 113.4 42.9 -67.5 -52.4 8.0 8.4 30.0 90 94 A V H X S+ 0 0 0 -4,-2.0 4,-2.9 1,-0.2 5,-0.2 0.896 112.6 53.1 -59.1 -42.6 7.6 5.7 27.2 91 95 A Q H X S+ 0 0 55 -4,-2.5 4,-2.4 2,-0.2 -1,-0.2 0.911 109.9 48.7 -59.2 -41.7 9.5 7.9 24.7 92 96 A S H X S+ 0 0 39 -4,-2.1 4,-2.1 2,-0.2 -2,-0.2 0.928 110.7 50.2 -65.0 -46.5 12.4 8.3 27.2 93 97 A M H X S+ 0 0 0 -4,-2.3 4,-1.5 2,-0.2 -2,-0.2 0.943 112.0 47.6 -54.9 -44.7 12.5 4.5 27.9 94 98 A L H <>S+ 0 0 0 -4,-2.9 5,-2.5 1,-0.2 4,-0.3 0.871 107.2 57.0 -67.7 -35.8 12.6 3.8 24.1 95 99 A A H ><5S+ 0 0 37 -4,-2.4 3,-1.5 3,-0.2 -1,-0.2 0.893 102.0 55.6 -57.8 -40.9 15.3 6.4 23.7 96 100 A T H 3<5S+ 0 0 19 -4,-2.1 -2,-0.2 1,-0.3 -1,-0.2 0.912 105.4 52.1 -58.2 -38.2 17.4 4.4 26.3 97 101 A L T 3<5S- 0 0 13 -4,-1.5 -1,-0.3 2,-0.1 -2,-0.2 0.501 129.9 -98.4 -74.3 -6.0 16.9 1.4 24.0 98 102 A G T < 5S+ 0 0 25 -3,-1.5 2,-0.5 -4,-0.3 -53,-0.5 0.534 82.4 127.9 101.9 8.8 18.2 3.5 21.0 99 103 A Y < + 0 0 18 -5,-2.5 -1,-0.3 -55,-0.2 -55,-0.2 -0.878 30.7 172.5 -98.9 130.0 14.9 4.5 19.3 100 104 A H E -D 43 0A 67 -57,-2.5 -57,-2.1 -2,-0.5 -8,-0.0 -0.879 42.8 -73.2-137.7 157.6 14.5 8.3 18.7 101 105 A P E +D 42 0A 75 0, 0.0 -59,-0.3 0, 0.0 3,-0.1 -0.214 44.5 172.3 -56.2 134.2 12.0 10.5 16.8 102 106 A A E - 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