==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=2-AUG-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER CELL ADHESION/INHIBITOR 17-MAY-12 4F8L . COMPND 2 MOLECULE: PH 6 ANTIGEN; . SOURCE 2 ORGANISM_SCIENTIFIC: YERSINIA PESTIS; . AUTHOR R.BAO,L.ESSER,D.XIA . 139 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 7711.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 79 56.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 2 1.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 61 43.9 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 1 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.7 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 4.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 8 5.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 1 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 1 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 . 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 3 2 1 0 2 1 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 1 0 1 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 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 2 A N 0 0 147 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0-145.7 -1.4 29.5 15.3 2 3 A T + 0 0 67 30,-0.0 31,-0.2 2,-0.0 2,-0.2 0.823 360.0 85.8 -76.1 -34.8 -4.8 27.8 15.9 3 4 A F + 0 0 34 29,-0.2 2,-0.3 30,-0.1 29,-0.2 -0.469 58.4 174.4 -64.5 132.2 -4.3 24.6 13.9 4 5 A H E -A 31 0A 80 27,-2.1 27,-2.1 -2,-0.2 2,-0.4 -0.996 14.3-177.6-145.6 144.7 -2.5 21.9 15.9 5 6 A V E -A 30 0A 10 -2,-0.3 2,-0.4 25,-0.2 25,-0.2 -0.998 3.1-174.2-141.3 134.2 -1.6 18.3 15.3 6 7 A D E +A 29 0A 96 23,-2.7 23,-2.6 -2,-0.4 2,-0.5 -0.949 3.8 178.9-134.8 118.4 0.0 15.7 17.5 7 8 A F E +A 28 0A 20 -2,-0.4 121,-0.3 21,-0.2 21,-0.2 -0.975 16.8 159.9-120.2 120.6 0.9 12.3 16.3 8 9 A A E -A 27 0A 26 19,-2.2 19,-3.1 -2,-0.5 121,-0.1 -0.974 40.9-104.0-141.9 151.6 2.7 9.9 18.8 9 10 A P E -A 26 0A 53 0, 0.0 17,-0.3 0, 0.0 16,-0.1 -0.340 58.2 -82.6 -66.4 156.2 3.4 6.3 19.3 10 11 A N - 0 0 33 15,-2.6 4,-0.1 1,-0.1 15,-0.0 -0.247 37.8-128.0 -58.3 148.0 1.3 4.6 22.0 11 12 A T S S+ 0 0 154 -3,-0.1 -1,-0.1 2,-0.1 2,-0.1 0.485 83.5 58.3 -86.7 -1.6 2.8 5.3 25.4 12 13 A G S S- 0 0 36 1,-0.1 2,-0.3 0, 0.0 -2,-0.0 -0.239 91.5 -74.5-110.0-157.3 2.9 1.6 26.4 13 14 A E - 0 0 118 -2,-0.1 2,-0.4 118,-0.1 120,-0.1 -0.800 26.5-157.1-110.9 143.7 4.5 -1.6 25.2 14 15 A I - 0 0 7 118,-0.4 120,-2.9 -2,-0.3 2,-0.3 -0.969 16.4-150.7-120.1 134.2 3.5 -3.9 22.3 15 16 A F B -d 134 0B 104 -2,-0.4 120,-0.2 118,-0.2 83,-0.2 -0.833 19.2-103.4-114.6 145.8 4.6 -7.6 22.4 16 17 A A S S+ 0 0 34 118,-2.7 2,-0.2 -2,-0.3 83,-0.2 -0.143 76.1 39.8 -67.8 157.3 5.4 -9.9 19.6 17 18 A G E S-E 98 0C 29 81,-2.9 81,-2.2 2,-0.0 2,-0.4 -0.671 105.4 -7.7 108.6-162.8 3.2 -12.7 18.3 18 19 A K E S-E 97 0C 164 79,-0.2 79,-0.2 -2,-0.2 78,-0.1 -0.548 74.6-122.2 -67.8 121.3 -0.6 -12.8 17.6 19 20 A Q - 0 0 10 77,-2.2 76,-2.5 -2,-0.4 77,-0.1 -0.514 12.8-144.3 -71.7 131.7 -2.2 -9.7 19.0 20 21 A P S S- 0 0 131 0, 0.0 2,-0.3 0, 0.0 -1,-0.2 0.560 76.0 -13.4 -77.0 -7.3 -4.8 -10.7 21.6 21 22 A G S S- 0 0 24 75,-0.1 74,-0.2 72,-0.1 75,-0.1 -0.944 104.1 -45.2-167.7-177.9 -7.0 -7.8 20.6 22 23 A D - 0 0 83 -2,-0.3 2,-0.4 72,-0.1 71,-0.2 -0.454 61.2-159.1 -59.6 135.6 -7.0 -4.6 18.6 23 24 A V E - B 0 92A 27 69,-2.3 69,-2.4 -2,-0.1 2,-0.3 -0.980 13.0-128.8-129.0 124.8 -3.8 -2.8 19.6 24 25 A T E + B 0 91A 33 -2,-0.4 67,-0.3 67,-0.2 3,-0.1 -0.519 25.1 174.7 -71.5 131.6 -3.1 0.9 19.2 25 26 A M E + 0 0 1 65,-3.0 -15,-2.6 1,-0.4 2,-0.3 0.787 67.7 10.7 -99.7 -42.3 0.1 1.8 17.5 26 27 A F E -AB 9 90A 0 64,-2.0 64,-2.8 -17,-0.3 2,-0.4 -0.973 60.5-141.9-138.8 150.7 -0.2 5.6 17.3 27 28 A T E -AB 8 89A 39 -19,-3.1 -19,-2.2 -2,-0.3 2,-0.4 -0.880 14.4-164.2-108.6 147.3 -2.5 8.4 18.6 28 29 A L E +AB 7 88A 0 60,-2.4 60,-3.2 -2,-0.4 2,-0.4 -0.980 7.7 179.7-133.5 117.2 -3.5 11.3 16.5 29 30 A T E +AB 6 87A 22 -23,-2.6 -23,-2.7 -2,-0.4 2,-0.3 -0.972 11.5 163.2-115.9 131.9 -4.9 14.5 18.0 30 31 A M E +AB 5 86A 0 56,-2.0 56,-3.1 -2,-0.4 2,-0.3 -0.999 0.7 149.8-148.2 148.9 -5.9 17.4 15.8 31 32 A G E -A 4 0A 1 -27,-2.1 -27,-2.1 -2,-0.3 2,-0.3 -0.988 19.4-168.1-169.0 164.4 -8.0 20.5 16.1 32 33 A D - 0 0 2 50,-0.4 -29,-0.2 -2,-0.3 4,-0.1 -0.881 15.7-157.2-160.5 128.4 -8.5 24.1 15.1 33 34 A T S S+ 0 0 103 -2,-0.3 3,-0.1 -31,-0.2 51,-0.1 0.701 76.0 88.7 -78.4 -19.1 -10.8 26.7 16.6 34 35 A A S S- 0 0 32 1,-0.1 -2,-0.1 49,-0.1 2,-0.0 -0.337 98.9 -76.5 -75.1 160.9 -10.8 28.6 13.2 35 36 A P + 0 0 119 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.306 68.6 143.1 -64.6 138.3 -13.4 27.7 10.5 36 37 A H - 0 0 14 45,-0.3 77,-0.2 -3,-0.1 3,-0.1 -0.967 45.6-137.4-165.5 169.6 -12.7 24.5 8.6 37 38 A G - 0 0 9 75,-3.1 43,-1.0 1,-0.3 2,-0.3 0.708 66.0 -46.6-111.6 -32.1 -14.4 21.5 7.0 38 39 A G E -FG 79 112D 0 74,-1.8 74,-2.5 41,-0.3 -1,-0.3 -0.991 45.3-104.4 176.2-174.0 -12.4 18.4 7.9 39 40 A W E -FG 78 111D 2 39,-2.5 39,-2.4 -2,-0.3 2,-0.3 -0.967 19.4-170.4-138.1 145.9 -9.1 16.6 8.2 40 41 A R E -FG 77 110D 32 70,-2.5 70,-2.6 -2,-0.3 2,-0.5 -0.981 13.2-150.2-137.4 153.3 -7.2 13.9 6.3 41 42 A L E -FG 76 109D 0 35,-2.3 35,-2.2 -2,-0.3 68,-0.2 -0.991 14.9-165.0-120.9 120.2 -4.2 11.8 7.0 42 43 A I E - G 0 108D 21 66,-2.8 66,-2.1 -2,-0.5 33,-0.2 -0.928 16.8-134.4-108.8 111.4 -2.2 10.8 3.8 43 44 A P E - G 0 107D 1 0, 0.0 64,-0.3 0, 0.0 2,-0.3 -0.445 28.6-163.9 -63.2 138.6 0.3 8.0 4.3 44 45 A T > - 0 0 41 62,-2.6 3,-2.0 4,-0.1 62,-0.3 -0.796 43.5 -1.5-123.0 167.5 3.6 8.8 2.5 45 46 A G G > S- 0 0 57 1,-0.3 3,-2.0 -2,-0.3 60,-0.0 -0.245 132.5 -8.9 55.3-136.9 6.7 6.9 1.4 46 47 A D G 3 S+ 0 0 101 1,-0.3 -1,-0.3 3,-0.0 5,-0.1 0.607 130.2 69.7 -72.0 -9.7 6.6 3.3 2.2 47 48 A S G X> + 0 0 1 -3,-2.0 4,-2.2 59,-0.1 3,-1.9 0.546 68.9 135.0 -79.5 -6.6 3.5 3.8 4.3 48 49 A K T <4 + 0 0 136 -3,-2.0 -4,-0.1 1,-0.3 27,-0.1 -0.099 66.6 31.5 -44.0 132.7 1.5 4.5 1.1 49 50 A G T 34 S- 0 0 32 -6,-0.2 -1,-0.3 1,-0.1 26,-0.1 0.388 135.2 -67.5 96.4 -9.1 -1.8 2.6 1.3 50 51 A G T <4 S+ 0 0 3 -3,-1.9 12,-2.7 1,-0.3 2,-0.3 0.843 91.9 136.6 97.1 39.1 -2.1 2.9 5.1 51 52 A Y E < -H 61 0D 95 -4,-2.2 2,-0.4 10,-0.2 -1,-0.3 -0.839 50.3-138.7-120.2 152.0 0.7 0.7 6.3 52 53 A M E -H 60 0D 0 8,-2.7 8,-2.5 -2,-0.3 2,-0.4 -0.820 26.1-146.5 -90.4 150.3 3.5 0.5 8.9 53 54 A I E -HI 59 104D 26 51,-2.1 51,-2.8 -2,-0.4 6,-0.2 -0.976 10.5-144.2-122.6 129.6 6.7 -0.8 7.5 54 55 A S E > - I 0 103D 7 4,-2.5 3,-2.1 -2,-0.4 49,-0.2 -0.484 25.6-114.2 -91.7 162.9 9.0 -2.9 9.7 55 56 A A T 3 S+ 0 0 74 47,-2.1 48,-0.1 1,-0.3 -1,-0.1 0.571 119.4 59.7 -69.1 -8.6 12.8 -3.1 9.8 56 57 A D T 3 S- 0 0 89 46,-0.3 -1,-0.3 2,-0.1 47,-0.1 0.317 123.8-105.1 -99.2 3.2 12.4 -6.7 8.6 57 58 A G S < S+ 0 0 47 -3,-2.1 2,-0.3 1,-0.3 -2,-0.1 0.560 73.6 139.2 88.7 8.3 10.6 -5.5 5.5 58 59 A D - 0 0 55 2,-0.0 -4,-2.5 1,-0.0 2,-0.5 -0.689 43.1-144.2 -91.1 142.5 7.0 -6.4 6.5 59 60 A Y E -H 53 0D 124 -2,-0.3 2,-0.4 -6,-0.2 -6,-0.2 -0.876 15.7-172.7-102.7 132.8 4.0 -4.2 5.8 60 61 A V E -H 52 0D 16 -8,-2.5 -8,-2.7 -2,-0.5 2,-0.1 -0.986 22.1-124.4-126.6 126.2 1.3 -4.2 8.4 61 62 A G E -H 51 0D 26 -2,-0.4 2,-0.3 -10,-0.2 32,-0.3 -0.372 19.9-147.2 -70.7 142.7 -2.0 -2.4 7.8 62 63 A L - 0 0 7 -12,-2.7 2,-0.3 30,-0.1 30,-0.2 -0.831 7.4-158.0-106.7 150.9 -3.4 0.3 10.1 63 64 A Y E -C 91 0A 60 28,-2.4 28,-2.7 -2,-0.3 2,-0.3 -0.909 5.4-145.8-126.2 153.6 -7.0 1.0 11.0 64 65 A S E -C 90 0A 17 -2,-0.3 26,-0.2 3,-0.2 5,-0.1 -0.871 8.1-159.4-115.5 149.3 -8.6 4.2 12.3 65 66 A Y S S+ 0 0 107 24,-0.9 -1,-0.1 -2,-0.3 25,-0.1 0.867 93.5 32.1 -88.0 -44.9 -11.5 4.6 14.7 66 67 A M S S+ 0 0 96 23,-0.2 2,-0.2 2,-0.0 22,-0.1 0.738 113.7 60.2 -88.8 -26.3 -12.6 8.2 13.9 67 68 A M S S- 0 0 9 11,-0.1 2,-0.4 9,-0.0 -3,-0.2 -0.678 72.2-129.9-106.8 158.8 -11.7 8.4 10.2 68 69 A S E -J 77 0D 68 9,-2.5 9,-1.8 -2,-0.2 2,-0.4 -0.880 22.3-128.0-105.1 137.7 -12.8 6.6 7.1 69 70 A W E -J 76 0D 59 -2,-0.4 2,-0.5 7,-0.2 7,-0.3 -0.699 19.5-172.4 -85.9 134.5 -10.2 5.1 4.7 70 71 A V E > > -J 75 0D 40 5,-2.9 5,-1.6 -2,-0.4 3,-1.2 -0.922 3.4-172.5-125.3 99.6 -10.6 6.0 1.0 71 72 A G G > 5S+ 0 0 48 -2,-0.5 3,-1.3 1,-0.3 -1,-0.1 0.842 81.7 66.9 -65.3 -32.7 -8.1 3.9 -1.0 72 73 A I G 3 5S+ 0 0 155 1,-0.3 -1,-0.3 2,-0.1 -2,-0.0 0.786 114.7 30.9 -52.0 -30.9 -8.9 5.8 -4.2 73 74 A D G < 5S- 0 0 100 -3,-1.2 -1,-0.3 2,-0.2 -2,-0.2 0.230 105.0-123.1-117.2 8.3 -7.3 8.8 -2.6 74 75 A N T < 5S+ 0 0 23 -3,-1.3 2,-0.3 -4,-0.2 -3,-0.2 0.910 73.9 106.4 45.0 51.9 -4.7 7.2 -0.3 75 76 A N E < - 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