==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=25-DEC-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER UNKNOWN FUNCTION 14-DEC-11 3V4H . COMPND 2 MOLECULE: HYPOTHETICAL PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: YERSINIA PESTIS; . AUTHOR E.V.FILIPPOVA,A.HALAVATY,G.MINASOV,L.SHUVALOVA,I.DUBROVSKA,J . 260 10 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14269.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 190 73.1 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 50.0 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), 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 . 3 1.2 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 . 21 8.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 10 3.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 17 6.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 1.2 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 2 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 . 2 4 2 0 2 4 4 2 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 1 0 0 0 0 1 0 0 0 0 0 0 0 1 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 4 A D 0 0 109 0, 0.0 72,-2.4 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 133.8 27.3 5.2 4.7 2 5 A M E -A 72 0A 51 22,-0.4 22,-2.3 70,-0.2 2,-0.4 -0.981 360.0-178.9-134.0 134.5 27.8 4.5 8.4 3 6 A F E -AB 71 23A 0 68,-2.7 68,-2.9 -2,-0.4 2,-0.4 -0.979 13.3-163.6-134.6 147.3 30.7 2.8 10.2 4 7 A I E -AB 70 22A 0 18,-2.7 18,-2.9 -2,-0.4 2,-0.6 -0.997 5.6-163.1-129.2 131.8 31.6 1.8 13.7 5 8 A K E -A 69 0A 98 64,-2.9 64,-2.4 -2,-0.4 2,-0.5 -0.960 11.5-170.0-113.3 116.9 35.2 0.9 14.7 6 9 A I E > -AC 68 9A 10 3,-0.7 3,-2.6 -2,-0.6 62,-0.2 -0.934 29.7-107.0-116.7 124.5 35.3 -0.9 18.0 7 10 A D T 3 S- 0 0 55 60,-2.5 59,-0.1 -2,-0.5 3,-0.0 -0.202 101.2 -0.1 -54.8 126.9 38.6 -1.6 19.8 8 11 A G T 3 S+ 0 0 63 1,-0.1 2,-0.5 57,-0.1 -1,-0.3 0.379 114.3 92.6 78.2 -3.8 39.5 -5.3 19.6 9 12 A I B < -C 6 0A 4 -3,-2.6 -3,-0.7 45,-0.0 2,-0.1 -0.803 59.3-164.3-129.6 94.6 36.5 -6.2 17.6 10 13 A E - 0 0 99 -2,-0.5 11,-0.2 40,-0.1 44,-0.1 -0.405 1.9-163.7 -71.0 147.1 36.9 -6.1 13.8 11 14 A G - 0 0 0 9,-2.5 11,-0.2 39,-0.1 -1,-0.1 -0.189 28.0-112.2-103.8-152.0 33.9 -6.2 11.4 12 15 A E + 0 0 68 9,-0.4 10,-0.2 -2,-0.1 7,-0.1 0.106 50.0 152.0-141.5 26.1 34.2 -7.0 7.7 13 16 A S - 0 0 4 8,-2.4 7,-2.3 5,-0.2 8,-0.2 -0.328 33.8-154.6 -53.9 136.3 33.5 -3.8 5.7 14 17 A L + 0 0 154 5,-0.2 2,-0.2 6,-0.1 5,-0.2 0.150 50.4 129.9 -99.9 15.2 35.2 -3.7 2.4 15 18 A D - 0 0 35 3,-0.3 3,-0.4 1,-0.1 6,-0.1 -0.485 62.8-130.4 -66.7 141.0 35.2 0.1 2.2 16 19 A A S > S+ 0 0 86 1,-0.2 3,-0.6 2,-0.2 -1,-0.1 0.904 105.8 37.7 -62.4 -46.0 38.7 1.4 1.4 17 20 A N T 3 S+ 0 0 116 1,-0.2 -1,-0.2 -3,-0.0 -2,-0.0 0.554 125.0 39.1 -85.3 -8.9 38.8 3.9 4.2 18 21 A H T > S+ 0 0 7 -3,-0.4 3,-2.1 3,-0.1 -3,-0.3 -0.059 77.4 170.3-133.1 35.3 37.0 1.7 6.8 19 22 A K T < S+ 0 0 74 -3,-0.6 -5,-0.2 1,-0.3 3,-0.1 -0.166 71.0 5.0 -54.0 131.5 38.5 -1.7 6.1 20 23 A N T 3 S+ 0 0 66 -7,-2.3 -9,-2.5 1,-0.2 -1,-0.3 0.619 100.5 119.8 66.8 16.9 37.5 -4.2 8.7 21 24 A E S < S- 0 0 21 -3,-2.1 -8,-2.4 -11,-0.2 2,-0.5 -0.458 71.6 -90.4 -94.1 179.2 35.2 -1.9 10.6 22 25 A I E -B 4 0A 0 -18,-2.9 -18,-2.7 -11,-0.2 2,-0.4 -0.812 30.1-135.5 -98.2 124.6 31.5 -2.6 11.2 23 26 A Q E -B 3 0A 91 -2,-0.5 2,-0.4 -20,-0.2 24,-0.4 -0.651 22.9-142.8 -76.2 129.7 28.9 -1.3 8.7 24 27 A V - 0 0 9 -22,-2.3 -22,-0.4 -2,-0.4 22,-0.2 -0.769 21.2-175.2-102.0 137.7 25.9 0.2 10.5 25 28 A L S S- 0 0 55 20,-3.0 2,-0.3 -2,-0.4 21,-0.2 0.703 71.9 -12.1 -97.9 -29.9 22.3 -0.1 9.3 26 29 A A E +G 45 0B 52 19,-0.9 19,-2.1 2,-0.0 -1,-0.4 -0.969 62.2 179.2-168.5 159.1 20.7 2.2 11.9 27 30 A W E -G 44 0B 86 -2,-0.3 2,-0.3 17,-0.2 17,-0.2 -0.982 5.1-175.1-159.6 164.0 21.4 3.9 15.2 28 31 A N E +G 43 0B 92 15,-1.7 15,-2.0 -2,-0.3 2,-0.3 -0.974 5.0 170.5-165.5 160.6 20.0 6.1 17.9 29 32 A W - 0 0 56 -2,-0.3 2,-0.3 13,-0.2 13,-0.1 -0.897 11.1-168.1-167.7 138.8 21.1 8.0 21.0 30 33 A D - 0 0 101 11,-0.3 10,-3.6 -2,-0.3 2,-0.3 -0.993 14.0-164.9-146.2 164.1 19.5 10.5 23.3 31 34 A V E -U 39 0C 79 -2,-0.3 2,-0.3 8,-0.2 8,-0.2 -0.989 14.2-177.4-142.3 137.1 20.0 12.9 26.1 32 35 A A E -U 38 0C 58 6,-2.5 6,-3.0 -2,-0.3 2,-0.6 -0.984 21.4-140.0-142.8 146.4 17.4 14.6 28.2 33 36 A Q 0 0 137 -2,-0.3 4,-0.1 4,-0.2 -2,-0.0 -0.942 360.0 360.0-113.0 112.3 17.4 17.1 31.1 34 37 A H 0 0 234 -2,-0.6 -1,-0.2 2,-0.3 3,-0.1 0.995 360.0 360.0 -59.4 360.0 14.9 16.3 33.8 35 ! 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 36 50 A K 0 0 145 0, 0.0 -2,-0.3 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 135.7 22.9 16.3 35.4 37 51 A A - 0 0 26 -4,-0.1 2,-0.6 1,-0.1 -4,-0.2 -0.211 360.0-127.3 -55.5 144.9 21.8 15.1 32.0 38 52 A S E -U 32 0C 84 -6,-3.0 -6,-2.5 0, 0.0 2,-0.5 -0.933 32.0-166.5 -91.9 118.2 20.3 11.6 31.5 39 53 A V E -U 31 0C 45 -2,-0.6 -8,-0.2 -8,-0.2 3,-0.1 -0.932 8.7-137.9-116.0 118.6 22.3 10.2 28.7 40 54 A S - 0 0 37 -10,-3.6 2,-0.1 -2,-0.5 3,-0.0 -0.150 27.3 -93.1 -75.5 166.9 21.2 7.0 26.9 41 55 A D - 0 0 59 69,-0.1 -11,-0.3 1,-0.1 2,-0.3 -0.459 47.8-108.8 -63.9 147.2 23.2 4.0 25.8 42 56 A F E - H 0 109B 0 67,-1.9 67,-2.5 -13,-0.1 2,-0.4 -0.702 39.8-158.1 -78.5 142.3 24.3 4.4 22.2 43 57 A C E +GH 28 108B 8 -15,-2.0 -15,-1.7 -2,-0.3 2,-0.3 -0.956 17.9 164.2-124.1 135.7 22.4 1.9 20.0 44 58 A F E -GH 27 107B 3 63,-3.2 63,-4.2 -2,-0.4 2,-0.4 -0.971 21.9-144.8-148.4 159.6 23.3 0.5 16.5 45 59 A A E +GH 26 106B 14 -19,-2.1 -20,-3.0 -2,-0.3 -19,-0.9 -0.929 22.8 162.1-115.6 141.2 22.2 -2.3 14.2 46 60 A H E - H 0 105B 0 59,-2.2 59,-2.6 -2,-0.4 -22,-0.1 -0.951 44.3 -88.0-145.5 165.2 24.4 -4.4 11.8 47 61 A Y E - H 0 104B 74 -24,-0.4 57,-0.3 -2,-0.3 2,-0.2 -0.441 59.5 -88.7 -64.8 152.6 24.2 -7.7 10.0 48 62 A I S S+ 0 0 0 55,-2.0 2,-0.2 -2,-0.1 -1,-0.1 -0.499 76.3 141.5 -65.4 127.1 25.4 -10.7 11.9 49 63 A D > - 0 0 9 -2,-0.2 3,-1.3 -3,-0.1 -38,-0.0 -0.786 64.1 -52.3-151.2-170.3 29.0 -10.7 11.1 50 64 A K T 3 S+ 0 0 34 1,-0.3 4,-0.4 -2,-0.2 -39,-0.1 0.786 128.3 52.7 -47.0 -36.3 32.6 -11.3 12.2 51 65 A A T 3> S+ 0 0 0 1,-0.2 4,-2.7 2,-0.1 3,-0.5 0.768 88.6 83.0 -73.7 -26.2 32.1 -8.9 15.1 52 66 A S H <> S+ 0 0 0 -3,-1.3 4,-2.7 1,-0.3 5,-0.2 0.863 89.3 44.9 -57.7 -49.9 29.0 -10.6 16.6 53 67 A P H > S+ 0 0 0 0, 0.0 4,-2.1 0, 0.0 -1,-0.3 0.881 115.9 48.8 -66.6 -29.4 30.4 -13.4 18.7 54 68 A N H > S+ 0 0 47 -3,-0.5 4,-2.5 -4,-0.4 5,-0.2 0.898 110.9 50.6 -69.7 -41.6 33.1 -11.0 20.1 55 69 A L H X S+ 0 0 0 -4,-2.7 4,-1.9 1,-0.2 -1,-0.2 0.930 110.4 49.9 -61.2 -42.7 30.3 -8.5 20.9 56 70 A L H X S+ 0 0 0 -4,-2.7 4,-2.7 -5,-0.2 -2,-0.2 0.919 111.1 49.0 -63.8 -43.9 28.3 -11.2 22.6 57 71 A S H X S+ 0 0 25 -4,-2.1 4,-2.7 2,-0.2 5,-0.2 0.944 109.9 50.0 -56.6 -51.8 31.3 -12.3 24.7 58 72 A Y H X>S+ 0 0 34 -4,-2.5 5,-2.2 1,-0.2 4,-1.4 0.866 113.0 49.0 -60.1 -36.4 32.2 -8.7 25.9 59 73 A C H ><5S+ 0 0 2 -4,-1.9 3,-0.7 -5,-0.2 -1,-0.2 0.982 111.3 46.7 -63.0 -57.6 28.6 -8.3 26.9 60 74 A L H 3<5S+ 0 0 12 -4,-2.7 112,-0.5 1,-0.3 -2,-0.2 0.840 120.6 39.7 -55.7 -40.1 28.3 -11.6 28.8 61 75 A L H 3<5S- 0 0 124 -4,-2.7 -1,-0.3 -5,-0.2 -2,-0.2 0.633 103.3-125.0 -85.8 -16.7 31.6 -10.8 30.6 62 76 A G T <<5 + 0 0 36 -4,-1.4 2,-0.3 -3,-0.7 -3,-0.2 0.883 47.5 175.6 71.9 37.8 31.1 -7.0 31.2 63 77 A K < - 0 0 92 -5,-2.2 26,-0.5 -6,-0.2 -1,-0.2 -0.573 26.7-123.5 -87.9 136.5 34.5 -6.5 29.5 64 78 A H - 0 0 106 -2,-0.3 2,-0.4 24,-0.1 24,-0.2 -0.521 15.7-154.4 -87.0 149.8 35.6 -2.9 28.9 65 79 A I E - D 0 87A 5 22,-2.3 22,-3.0 -2,-0.2 21,-0.1 -0.985 6.2-150.3-123.2 132.0 36.4 -1.6 25.5 66 80 A K E S+ 0 0 163 -2,-0.4 20,-1.9 20,-0.2 2,-0.4 0.915 71.6 10.9 -76.0 -45.0 38.8 1.4 25.3 67 81 A N E - D 0 85A 89 18,-0.2 -60,-2.5 19,-0.1 2,-0.4 -0.993 53.0-178.9-141.6 138.3 37.7 3.3 22.2 68 82 A V E -AD 6 84A 3 16,-1.9 16,-3.2 -2,-0.4 2,-0.4 -0.986 10.3-165.2-134.9 133.6 34.8 3.2 19.9 69 83 A Q E -AD 5 83A 50 -64,-2.4 -64,-2.9 -2,-0.4 2,-0.4 -0.978 1.4-168.3-127.3 121.1 34.5 5.5 16.8 70 84 A F E -AD 4 82A 0 12,-3.2 12,-2.5 -2,-0.4 2,-0.4 -0.877 11.0-173.3-110.3 131.2 31.2 6.0 14.9 71 85 A V E -AD 3 81A 1 -68,-2.9 -68,-2.7 -2,-0.4 2,-0.4 -0.988 15.7-163.0-134.2 132.4 31.3 7.8 11.6 72 86 A L E -AD 2 80A 15 8,-2.6 8,-1.4 -2,-0.4 7,-0.7 -0.947 17.0-171.2-108.2 142.0 28.7 9.1 9.1 73 87 A R E D 0 78A 25 -72,-2.4 5,-0.2 -2,-0.4 4,-0.0 -0.952 360.0 360.0-131.5 143.2 29.7 9.9 5.5 74 88 A K 0 0 157 3,-2.1 -1,-0.2 -2,-0.3 4,-0.1 0.953 360.0 360.0 -70.9 360.0 28.1 11.5 2.6 75 ! 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 76 93 A P 0 0 130 0, 0.0 2,-0.3 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 88.8 32.3 11.8 0.4 77 94 A L - 0 0 58 1,-0.1 -3,-2.1 -4,-0.0 2,-1.5 -0.591 360.0-136.5 -84.1 132.0 32.8 13.8 3.5 78 95 A E E +D 73 0A 64 -2,-0.3 -5,-0.3 -5,-0.2 41,-0.1 -0.702 38.1 171.4 -79.0 92.3 32.9 12.1 6.9 79 96 A Y E + 0 0 55 -2,-1.5 40,-2.5 -7,-0.7 2,-0.4 0.668 54.1 35.8 -93.2 -15.0 30.7 14.8 8.3 80 97 A L E +DE 72 118A 16 -8,-1.4 -8,-2.6 38,-0.2 2,-0.4 -0.984 59.4 175.2-138.6 128.5 29.9 13.5 11.8 81 98 A T E -DE 71 117A 15 36,-2.4 36,-2.9 -2,-0.4 2,-0.5 -0.995 7.2-171.6-129.7 133.9 32.1 11.5 14.1 82 99 A I E -DE 70 116A 0 -12,-2.5 -12,-3.2 -2,-0.4 2,-0.4 -0.995 6.9-168.0-123.9 126.1 31.3 10.4 17.6 83 100 A K E -DE 69 115A 81 32,-2.3 32,-2.5 -2,-0.5 2,-0.3 -0.947 4.6-163.6-115.2 133.8 34.1 8.8 19.6 84 101 A F E -DE 68 114A 1 -16,-3.2 -16,-1.9 -2,-0.4 2,-0.4 -0.909 4.5-148.7-118.3 149.0 33.3 7.1 22.9 85 102 A T E +DE 67 113A 50 28,-2.3 27,-2.2 -2,-0.3 28,-1.2 -0.941 70.0 7.4-120.1 141.3 35.6 6.1 25.7 86 103 A D E S- 0 0 55 -20,-1.9 26,-0.3 -2,-0.4 2,-0.3 0.980 81.3-167.5 55.9 70.5 35.5 3.2 28.1 87 104 A V E -D 65 0A 1 -22,-3.0 -22,-2.3 -3,-0.2 2,-0.4 -0.625 16.9-168.5 -96.6 139.4 32.6 1.3 26.5 88 105 A I E -I 110 0B 45 22,-1.2 22,-3.6 -2,-0.3 2,-0.7 -0.999 25.5-126.7-126.0 131.3 30.6 -1.6 28.0 89 106 A I E +I 109 0B 2 -26,-0.5 20,-0.3 -2,-0.4 -27,-0.2 -0.714 31.1 174.7 -81.8 113.7 28.2 -3.7 25.9 90 107 A T E + 0 0 9 18,-1.6 79,-3.2 -2,-0.7 2,-0.3 0.600 59.5 22.0 -98.0 -18.7 24.9 -3.6 27.7 91 108 A R E -IJ 108 168B 94 17,-1.4 17,-1.6 77,-0.3 2,-0.4 -0.974 46.6-176.2-157.3 135.2 22.6 -5.4 25.2 92 109 A V E +IJ 107 167B 0 75,-3.7 75,-2.3 -2,-0.3 2,-0.5 -0.930 13.1 174.4-131.6 110.8 22.8 -7.8 22.2 93 110 A D E -IJ 106 166B 45 13,-2.4 13,-2.8 -2,-0.4 2,-0.3 -0.980 8.1-175.5-118.8 121.9 19.4 -8.6 20.4 94 111 A M E +IJ 105 165B 4 71,-3.4 71,-2.0 -2,-0.5 2,-0.3 -0.876 6.4 167.1-119.0 152.6 19.6 -10.8 17.3 95 112 A A E -IJ 104 164B 45 9,-2.1 9,-2.4 -2,-0.3 2,-0.3 -0.978 9.7-180.0-163.3 147.3 16.8 -11.8 14.8 96 113 A G E + J 0 163B 9 67,-2.0 67,-2.6 -2,-0.3 2,-0.3 -0.970 2.5 174.5-144.4 161.5 16.2 -13.3 11.4 97 114 A S E - 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