==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-NOV-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER CELL INVASION 17-FEB-11 3QRA . COMPND 2 MOLECULE: ATTACHMENT INVASION LOCUS PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: YERSINIA PESTIS; . AUTHOR S.YAMASHITA,P.LUKACIK,N.NOINAJ,S.K.BUCHANAN . 152 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9259.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 119 78.3 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 . 106 69.7 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 . 3 2.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 3 2.0 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 3.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 4 2.6 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+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 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 0 1 0 0 0 0 1 1 1 1 2 1 0 0 0 1 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 0 1 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 26 A M > 0 0 110 0, 0.0 3,-2.0 0, 0.0 36,-0.3 0.000 360.0 360.0 360.0 170.1 3.8 -3.0 18.2 2 27 A E T 3 + 0 0 122 1,-0.3 36,-0.2 36,-0.1 38,-0.1 -0.159 360.0 13.2 -49.1 128.5 3.1 -4.5 21.6 3 28 A G T 3 S+ 0 0 33 34,-2.9 2,-0.3 1,-0.3 -1,-0.3 0.419 94.6 133.7 87.1 -1.2 6.0 -4.5 24.0 4 29 A E < - 0 0 38 -3,-2.0 33,-2.3 33,-0.3 2,-0.3 -0.663 40.2-154.8 -91.6 140.7 8.0 -2.0 21.9 5 30 A S E -A 36 0A 12 149,-2.9 149,-2.3 -2,-0.3 2,-0.4 -0.830 2.5-161.0-107.2 146.3 9.8 1.0 23.3 6 31 A S E -AB 35 153A 0 29,-2.2 29,-2.7 -2,-0.3 2,-0.4 -0.996 6.5-173.3-125.7 131.9 10.7 4.2 21.5 7 32 A I E +AB 34 152A 72 145,-2.6 145,-1.7 -2,-0.4 2,-0.3 -0.990 10.6 172.5-125.5 132.7 13.4 6.6 22.7 8 33 A S E -AB 33 151A 2 25,-2.4 25,-2.2 -2,-0.4 2,-0.4 -0.985 20.9-159.4-139.0 150.7 14.0 10.0 21.1 9 34 A I E +AB 32 150A 106 141,-2.4 141,-2.5 -2,-0.3 2,-0.3 -0.960 28.1 162.0-122.8 147.2 16.0 13.2 21.6 10 35 A G E -AB 31 149A 9 21,-1.8 21,-2.0 -2,-0.4 139,-0.3 -0.976 39.6 -84.1-157.9 167.5 15.1 16.4 20.0 11 36 A Y E -AB 30 148A 186 137,-2.3 137,-2.2 -2,-0.3 2,-0.4 -0.485 36.4-163.8 -70.7 143.0 15.3 20.2 19.6 12 37 A A E +AB 29 147A 4 17,-2.1 17,-2.5 135,-0.2 2,-0.4 -0.999 8.5 179.7-127.5 139.0 13.0 22.3 21.7 13 38 A Q E -AB 28 146A 88 133,-2.5 133,-2.8 -2,-0.4 2,-0.3 -0.992 9.3-159.1-139.3 130.6 12.2 25.9 21.1 14 39 A S E - B 0 145A 0 13,-2.5 2,-0.4 -2,-0.4 131,-0.2 -0.792 11.8-153.8-108.9 150.2 9.9 28.1 23.1 15 40 A R E - B 0 144A 85 129,-2.6 129,-2.6 -2,-0.3 2,-0.5 -0.971 18.9-160.2-110.7 136.5 8.0 31.4 22.5 16 41 A V E +CB 24 143A 17 8,-2.5 8,-3.0 -2,-0.4 2,-0.4 -0.981 12.8 176.2-125.2 125.3 7.3 33.3 25.7 17 42 A K E + B 0 142A 69 125,-2.6 125,-3.1 -2,-0.5 2,-0.4 -0.984 15.1 178.0-136.1 127.2 4.6 36.0 25.9 18 43 A E E > - B 0 141A 61 -2,-0.4 3,-2.3 123,-0.2 123,-0.1 -0.996 45.2-102.7-119.3 135.2 3.2 38.2 28.6 19 44 A D T 3 S+ 0 0 96 121,-0.6 3,-0.1 -2,-0.4 121,-0.0 -0.299 110.3 26.8 -54.5 128.7 0.5 40.7 27.6 20 45 A G T 3 S+ 0 0 79 1,-0.3 2,-0.3 0, 0.0 -1,-0.3 0.280 110.7 83.5 101.9 -10.1 2.0 44.1 27.4 21 46 A Y S < S- 0 0 146 -3,-2.3 -1,-0.3 1,-0.0 -3,-0.2 -0.875 86.7 -93.3-123.2 156.6 5.5 42.9 26.6 22 47 A K - 0 0 190 -2,-0.3 -4,-0.2 1,-0.1 2,-0.1 -0.368 47.7-101.4 -66.5 143.0 7.2 41.8 23.3 23 48 A L - 0 0 63 -6,-0.1 2,-0.7 -2,-0.1 -6,-0.2 -0.447 30.9-142.1 -62.4 136.1 7.1 38.1 22.4 24 49 A D B +C 16 0A 44 -8,-3.0 -8,-2.5 -2,-0.1 -1,-0.1 -0.921 25.4 172.0-106.1 111.1 10.4 36.4 23.2 25 50 A K + 0 0 133 -2,-0.7 -1,-0.1 -10,-0.2 -8,-0.0 0.305 56.6 87.4 -98.5 7.2 11.2 33.8 20.5 26 51 A N + 0 0 90 -10,-0.1 26,-0.2 -13,-0.1 -1,-0.1 0.809 48.1 108.6 -80.7 -35.5 14.7 33.0 21.8 27 52 A P + 0 0 0 0, 0.0 -13,-2.5 0, 0.0 2,-0.3 -0.199 43.8 171.8 -59.8 134.7 14.6 30.2 24.4 28 53 A R E +AD 13 52A 138 24,-2.3 24,-1.8 -15,-0.2 2,-0.2 -0.937 12.3 119.6-139.5 156.4 16.0 26.9 23.2 29 54 A G E -AD 12 51A 26 -17,-2.5 -17,-2.1 -2,-0.3 2,-0.3 -0.823 48.3 -66.9-178.4-138.8 16.9 23.5 24.6 30 55 A F E -AD 11 50A 65 20,-1.5 20,-2.5 -19,-0.3 2,-0.4 -0.859 21.3-145.7-143.5 168.9 16.1 19.9 24.2 31 56 A N E -AD 10 49A 1 -21,-2.0 -21,-1.8 -2,-0.3 2,-0.5 -0.994 4.5-164.0-143.4 126.2 13.4 17.2 24.6 32 57 A L E -AD 9 48A 72 16,-2.5 16,-2.5 -2,-0.4 2,-0.4 -0.960 14.0-174.3-107.4 131.7 13.7 13.5 25.6 33 58 A K E -AD 8 47A 2 -25,-2.2 -25,-2.4 -2,-0.5 2,-0.4 -0.983 8.5-169.0-126.0 143.7 10.6 11.3 25.0 34 59 A Y E -AD 7 46A 111 12,-2.4 12,-2.5 -2,-0.4 2,-0.4 -0.997 7.9-172.3-131.8 125.9 10.1 7.7 25.9 35 60 A R E -AD 6 45A 1 -29,-2.7 -29,-2.2 -2,-0.4 2,-0.4 -0.917 7.1-171.5-120.4 142.2 7.2 5.6 24.6 36 61 A Y E -AD 5 44A 81 8,-2.7 8,-2.6 -2,-0.4 2,-0.6 -0.992 14.9-146.0-134.4 129.0 6.0 2.2 25.5 37 62 A E E - D 0 43A 1 -33,-2.3 -34,-2.9 -2,-0.4 -33,-0.3 -0.858 10.1-172.2 -98.6 114.8 3.4 0.3 23.6 38 63 A F S S- 0 0 112 4,-1.2 2,-0.2 -2,-0.6 5,-0.2 0.705 75.6 -7.2 -75.5 -31.3 1.2 -1.9 25.8 39 64 A N S S- 0 0 44 3,-1.7 -35,-0.1 -37,-0.1 -36,-0.1 -0.841 94.3 -74.4-149.3-171.5 -0.5 -3.5 22.8 40 65 A N S S+ 0 0 77 -2,-0.2 3,-0.1 1,-0.2 -3,-0.0 0.580 127.2 23.7 -70.8 -6.5 -0.6 -3.0 19.0 41 66 A D S S+ 0 0 93 1,-0.2 37,-2.6 36,-0.1 2,-0.4 0.640 115.0 55.1-128.7 -27.3 -2.8 0.2 19.3 42 67 A W E + E 0 77A 159 35,-0.2 -3,-1.7 33,-0.0 -4,-1.2 -0.901 53.9 143.1-121.6 144.1 -2.3 1.8 22.7 43 68 A G E -DE 37 76A 6 33,-1.8 33,-2.1 -2,-0.4 2,-0.4 -0.898 37.6-109.9-156.4-173.5 0.7 3.0 24.6 44 69 A V E -DE 36 75A 54 -8,-2.6 -8,-2.7 -2,-0.3 2,-0.4 -0.958 22.0-163.2-128.5 148.7 2.0 5.6 26.9 45 70 A I E -DE 35 74A 1 29,-2.6 29,-2.1 -2,-0.4 2,-0.4 -0.992 1.1-162.9-133.3 142.2 4.5 8.4 26.3 46 71 A G E -DE 34 73A 27 -12,-2.5 -12,-2.4 -2,-0.4 2,-0.4 -0.935 9.4-165.7-122.0 148.5 6.6 10.5 28.7 47 72 A S E -DE 33 72A 6 25,-2.6 25,-2.4 -2,-0.4 2,-0.4 -0.998 13.4-171.6-140.3 134.8 8.3 13.7 27.9 48 73 A F E +DE 32 71A 63 -16,-2.5 -16,-2.5 -2,-0.4 2,-0.4 -0.999 17.8 178.3-120.6 131.4 11.0 15.9 29.5 49 74 A A E -DE 31 70A 0 21,-2.1 21,-2.2 -2,-0.4 2,-0.4 -0.973 10.1-179.4-131.4 147.0 11.7 19.3 28.0 50 75 A Q E +DE 30 69A 64 -20,-2.5 -20,-1.5 -2,-0.4 2,-0.3 -0.986 4.0 172.3-142.5 135.4 14.0 22.2 28.9 51 76 A T E +DE 29 68A 1 17,-2.3 17,-2.6 -2,-0.4 2,-0.3 -0.962 8.9 173.4-133.6 157.6 14.5 25.5 27.2 52 77 A R E -DE 28 67A 99 -24,-1.8 -24,-2.3 -2,-0.3 2,-0.4 -0.996 28.0-157.2-158.4 157.5 16.5 28.5 28.2 53 78 A R E + E 0 66A 43 13,-2.4 13,-2.5 -2,-0.3 2,-0.1 -0.904 35.2 163.8-137.7 110.9 17.8 31.9 27.3 54 79 A G - 0 0 31 -2,-0.4 2,-0.2 11,-0.2 10,-0.1 -0.263 45.7 -38.3-111.6-162.3 20.9 32.9 29.4 55 80 A F - 0 0 134 -2,-0.1 2,-0.4 8,-0.1 -1,-0.2 -0.447 56.3-176.8 -60.4 126.4 23.7 35.4 29.4 56 81 A E - 0 0 104 -2,-0.2 2,-0.2 -3,-0.1 -1,-0.0 -0.998 29.3-119.9-125.1 131.2 25.0 35.9 25.9 57 82 A E - 0 0 168 -2,-0.4 2,-0.3 2,-0.0 -2,-0.0 -0.476 44.4-179.2 -67.2 134.4 27.9 38.1 25.3 58 83 A S 0 0 111 -2,-0.2 -1,-0.0 1,-0.1 0, 0.0 -0.880 360.0 360.0-134.7 163.9 26.8 40.9 23.0 59 84 A V 0 0 192 -2,-0.3 -1,-0.1 0, 0.0 -2,-0.0 0.535 360.0 360.0 -84.2 360.0 28.0 44.0 21.2 60 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 61 89 A L 0 0 205 0, 0.0 2,-0.4 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -39.9 21.9 48.0 32.2 62 90 A I - 0 0 103 40,-0.1 2,-0.3 36,-0.0 38,-0.2 -0.942 360.0-169.9-137.8 113.9 19.6 45.1 32.9 63 91 A D E - F 0 99A 87 36,-1.8 36,-2.5 -2,-0.4 2,-0.3 -0.741 9.6-148.6-104.9 154.3 20.2 41.6 31.7 64 92 A G E - F 0 98A 25 -2,-0.3 2,-0.3 34,-0.2 34,-0.2 -0.818 10.5-164.9-125.1 158.3 17.8 38.7 31.9 65 93 A D E - F 0 97A 74 32,-1.9 32,-2.5 -2,-0.3 2,-0.4 -0.995 10.5-173.9-142.8 138.0 17.8 34.9 32.3 66 94 A F E +EF 53 96A 21 -13,-2.5 -13,-2.4 -2,-0.3 2,-0.3 -0.996 5.8 177.5-138.5 140.1 15.0 32.5 31.6 67 95 A K E -EF 52 95A 34 28,-2.3 28,-2.5 -2,-0.4 2,-0.4 -0.995 1.6-179.9-142.9 139.5 14.6 28.8 32.1 68 96 A Y E +EF 51 94A 1 -17,-2.6 -17,-2.3 -2,-0.3 2,-0.3 -1.000 5.4 169.2-134.4 134.6 11.6 26.5 31.4 69 97 A Y E -EF 50 93A 111 24,-2.4 24,-2.5 -2,-0.4 2,-0.3 -0.991 6.5-173.2-143.4 163.7 11.2 22.8 32.0 70 98 A S E -EF 49 92A 1 -21,-2.2 -21,-2.1 -2,-0.3 2,-0.4 -0.994 18.2-158.3-150.7 150.8 8.4 20.4 31.9 71 99 A V E +EF 48 91A 95 20,-2.2 20,-2.5 -2,-0.3 2,-0.3 -0.992 30.6 164.0-130.0 120.6 7.5 16.8 32.6 72 100 A T E +EF 47 90A 2 -25,-2.4 -25,-2.6 -2,-0.4 2,-0.3 -0.928 11.5 179.5-136.3 160.7 4.4 15.5 30.8 73 101 A A E +EF 46 89A 48 16,-2.4 16,-2.5 -2,-0.3 -27,-0.2 -0.988 11.8 135.7-156.1 161.2 2.8 12.2 30.0 74 102 A G E -E 45 0A 15 -29,-2.1 -29,-2.6 -2,-0.3 14,-0.2 -0.982 48.6 -51.0 172.4-179.1 -0.2 10.6 28.3 75 103 A P E -E 44 0A 68 0, 0.0 12,-1.6 0, 0.0 2,-0.4 -0.444 38.6-155.8 -78.6 145.5 -1.7 8.0 26.0 76 104 A V E -EG 43 86A 1 -33,-2.1 -33,-1.8 10,-0.2 2,-0.5 -0.986 4.9-156.0-121.9 133.8 -0.4 7.4 22.5 77 105 A F E -EG 42 85A 104 8,-3.0 8,-2.5 -2,-0.4 2,-0.5 -0.936 9.1-142.8-114.0 120.1 -2.6 5.9 19.8 78 106 A R E - 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