==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=13-MAR-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER PROTEIN BINDING 13-MAY-10 2KXX . COMPND 2 MOLECULE: SMALL PROTEIN A; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI K-12; . AUTHOR K.KIM,M.OKON,E.ESCOBAR,H.KANG,L.MCINTOSH,M.PAETZEL . 97 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 6745.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 47 48.5 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 . 16 16.5 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 . 1 1.0 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-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 . 1 1.0 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 . 12 12.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 5 5.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 10 10.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 1 1.0 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 1 0 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 . 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 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 ANTIPARALLEL BRIDGES PER LADDER . 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 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 17 A G 0 0 42 0, 0.0 3,-0.2 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0-169.3 8.0 12.3 -9.5 2 18 A S + 0 0 137 1,-0.3 2,-1.9 2,-0.1 3,-0.3 0.903 360.0 60.9 -67.1 -41.6 8.1 13.5 -13.1 3 19 A H + 0 0 159 1,-0.2 -1,-0.3 2,-0.0 0, 0.0 -0.546 65.1 151.1 -83.0 71.8 4.7 11.9 -13.7 4 20 A M + 0 0 126 -2,-1.9 2,-0.2 -3,-0.2 -1,-0.2 0.733 30.6 114.8 -78.1 -23.5 3.0 14.0 -11.1 5 21 A S - 0 0 85 -3,-0.3 3,-0.3 1,-0.2 -2,-0.0 -0.304 41.1-179.0 -51.7 111.2 -0.3 13.8 -12.9 6 22 A T + 0 0 70 -2,-0.2 -1,-0.2 1,-0.2 13,-0.1 -0.205 47.2 113.8-106.5 38.6 -2.6 11.9 -10.6 7 23 A L + 0 0 165 2,-0.0 2,-0.3 0, 0.0 -1,-0.2 0.823 54.8 81.8 -81.6 -34.1 -5.5 12.1 -13.0 8 24 A E + 0 0 144 -3,-0.3 3,-0.1 1,-0.1 12,-0.0 -0.564 39.2 134.1 -75.0 135.2 -5.6 8.3 -13.7 9 25 A R - 0 0 51 -2,-0.3 2,-2.7 11,-0.0 -1,-0.1 0.199 64.3-121.2-164.4 11.8 -7.4 6.3 -11.0 10 26 A V S S- 0 0 111 2,-0.1 2,-0.3 0, 0.0 -2,-0.0 -0.414 84.2 -10.6 69.9 -66.6 -9.7 4.0 -13.1 11 27 A V S S- 0 0 82 -2,-2.7 2,-1.2 -3,-0.1 0, 0.0 -0.873 96.3 -63.2-147.6 177.0 -12.8 5.4 -11.5 12 28 A Y + 0 0 223 -2,-0.3 -2,-0.1 1,-0.1 -3,-0.0 -0.595 61.3 152.4 -70.9 99.1 -13.9 7.6 -8.6 13 29 A R - 0 0 133 -2,-1.2 3,-0.3 3,-0.1 2,-0.1 -0.733 29.3-159.7-129.0 81.6 -12.7 5.6 -5.6 14 30 A P + 0 0 117 0, 0.0 3,-0.1 0, 0.0 6,-0.0 -0.340 49.0 91.9 -70.1 139.5 -12.1 8.3 -2.9 15 31 A D S S+ 0 0 93 1,-0.4 2,-0.3 -2,-0.1 5,-0.1 -0.288 83.1 34.7-176.9 -70.4 -9.8 7.9 0.2 16 32 A I - 0 0 10 -3,-0.3 -1,-0.4 3,-0.2 -3,-0.1 -0.789 50.1-166.3-101.0 146.6 -6.3 9.0 -0.4 17 33 A N S S+ 0 0 114 -2,-0.3 -1,-0.1 1,-0.1 3,-0.1 0.646 85.2 65.7 -98.1 -21.2 -5.3 11.9 -2.6 18 34 A Q S S- 0 0 58 1,-0.1 2,-0.3 3,-0.0 -1,-0.1 0.415 114.8 -17.0 -88.3 1.9 -1.7 11.0 -2.8 19 35 A G - 0 0 9 2,-0.1 -3,-0.2 -13,-0.1 -1,-0.1 -0.984 43.9-125.0 175.3 174.3 -2.2 7.8 -4.7 20 36 A N S S+ 0 0 68 -2,-0.3 2,-0.1 -5,-0.1 3,-0.1 0.027 82.0 93.3-125.4 18.6 -4.3 4.9 -5.9 21 37 A Y S S- 0 0 81 1,-0.2 -5,-0.1 40,-0.1 -2,-0.1 -0.176 86.6 -54.5-100.6-167.9 -2.2 2.2 -4.4 22 38 A L - 0 0 16 22,-0.1 38,-0.3 -2,-0.1 -1,-0.2 -0.350 54.3-165.0 -71.0 152.6 -2.1 0.3 -1.1 23 39 A T > - 0 0 11 20,-0.1 4,-1.2 -3,-0.1 3,-0.2 -0.666 37.7 -88.7-127.7-174.4 -2.1 2.1 2.1 24 40 A A H > S+ 0 0 22 -2,-0.2 4,-2.3 1,-0.2 5,-0.2 0.837 118.0 63.9 -66.7 -34.9 -1.4 1.5 5.8 25 41 A N H > S+ 0 0 72 1,-0.2 4,-0.7 2,-0.2 -1,-0.2 0.918 105.7 43.9 -56.2 -46.4 -5.0 0.6 6.5 26 42 A D H > S+ 0 0 43 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.794 108.1 58.1 -74.1 -28.4 -4.8 -2.4 4.3 27 43 A V H < S+ 0 0 20 -4,-1.2 -1,-0.2 1,-0.2 -2,-0.2 0.908 104.3 52.5 -62.9 -40.6 -1.4 -3.4 5.7 28 44 A S H < S+ 0 0 104 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.741 104.7 59.6 -64.9 -22.9 -3.2 -3.5 9.1 29 45 A K H < S+ 0 0 99 -4,-0.7 -2,-0.2 -5,-0.2 -1,-0.2 0.922 97.8 67.9 -70.4 -46.4 -5.6 -5.8 7.4 30 46 A I < - 0 0 12 -4,-1.6 2,-0.3 -3,-0.1 58,-0.0 -0.114 61.8-171.7 -75.8 173.0 -3.1 -8.5 6.4 31 47 A R > - 0 0 169 56,-0.0 3,-1.1 0, 0.0 54,-0.2 -0.973 30.9 -95.7-163.7 148.2 -1.1 -10.8 8.7 32 48 A V T 3 S+ 0 0 74 -2,-0.3 54,-0.1 1,-0.2 3,-0.1 -0.440 99.4 54.7 -71.1 143.0 1.7 -13.2 8.4 33 49 A G T 3 S+ 0 0 56 1,-0.6 -1,-0.2 52,-0.4 2,-0.1 -0.043 84.7 94.9 122.0 -32.7 0.7 -16.8 8.0 34 50 A M S < S- 0 0 27 -3,-1.1 51,-3.3 1,-0.2 -1,-0.6 -0.286 73.2-104.5 -85.7 177.9 -1.6 -16.5 4.9 35 51 A T B > -A 84 0A 44 49,-0.2 4,-1.8 -3,-0.1 49,-0.2 -0.081 31.2 -95.5 -91.9-171.4 -0.5 -17.1 1.3 36 52 A Q H > S+ 0 0 24 47,-1.2 4,-3.3 2,-0.2 5,-0.2 0.928 124.1 51.3 -68.7 -46.3 0.2 -14.9 -1.7 37 53 A Q H > S+ 0 0 126 1,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.857 109.1 52.6 -63.4 -35.0 -3.4 -15.3 -3.0 38 54 A Q H > S+ 0 0 96 2,-0.2 4,-2.3 1,-0.2 3,-0.4 0.977 114.2 40.0 -61.4 -57.0 -4.7 -14.3 0.4 39 55 A V H X>S+ 0 0 0 -4,-1.8 4,-3.9 1,-0.2 5,-0.7 0.888 110.1 59.2 -61.9 -41.8 -2.7 -11.1 0.6 40 56 A A H X5S+ 0 0 1 -4,-3.3 4,-1.3 1,-0.2 5,-0.3 0.869 113.7 39.0 -56.4 -36.9 -3.2 -10.3 -3.1 41 57 A Y H <5S+ 0 0 203 -4,-1.5 -1,-0.2 -3,-0.4 -2,-0.2 0.827 119.0 46.4 -82.3 -34.2 -6.9 -10.3 -2.4 42 58 A A H <5S+ 0 0 26 -4,-2.3 -2,-0.2 -5,-0.2 -3,-0.2 0.892 129.2 24.5 -70.7 -41.7 -6.6 -8.6 1.0 43 59 A L H <5S- 0 0 15 -4,-3.9 -3,-0.2 -5,-0.2 -2,-0.2 0.865 114.8-102.9 -92.3 -44.3 -4.2 -5.9 -0.2 44 60 A G << - 0 0 36 -4,-1.3 -3,-0.2 -5,-0.7 -22,-0.1 0.109 42.3 -79.4 112.2 122.9 -4.9 -5.7 -3.9 45 61 A T - 0 0 62 -5,-0.3 -5,-0.0 4,-0.1 -8,-0.0 -0.261 58.1-106.8 -58.9 135.9 -2.7 -7.2 -6.6 46 62 A P > - 0 0 13 0, 0.0 3,-2.9 0, 0.0 -1,-0.1 0.087 37.1 -85.8 -63.3 172.9 0.4 -5.0 -7.3 47 63 A L T 3 S+ 0 0 168 1,-0.3 -2,-0.1 2,-0.1 -26,-0.0 0.854 127.1 61.4 -47.7 -48.6 1.0 -2.9 -10.3 48 64 A M T 3 S- 0 0 80 1,-0.2 -1,-0.3 2,-0.1 -3,-0.0 0.681 100.7-140.1 -53.7 -19.6 2.5 -5.8 -12.3 49 65 A S S < S+ 0 0 91 -3,-2.9 -1,-0.2 1,-0.1 -2,-0.1 0.358 80.1 89.3 73.1 -4.8 -1.1 -7.3 -11.9 50 66 A D > + 0 0 87 1,-0.1 3,-0.9 -5,-0.0 4,-0.3 -0.832 43.9 166.0-124.1 91.0 0.6 -10.7 -11.3 51 67 A P G > S+ 0 0 4 0, 0.0 3,-1.2 0, 0.0 -1,-0.1 0.844 74.1 64.0 -70.6 -32.9 1.3 -11.1 -7.6 52 68 A F G 3 S+ 0 0 118 1,-0.3 -15,-0.1 3,-0.1 -16,-0.0 0.323 89.2 71.6 -78.1 9.5 2.0 -14.9 -8.0 53 69 A G G < S+ 0 0 60 -3,-0.9 -1,-0.3 0, 0.0 2,-0.2 0.712 101.4 35.6 -95.3 -23.3 4.9 -14.2 -10.2 54 70 A T < - 0 0 44 -3,-1.2 3,-0.1 -4,-0.3 0, 0.0 -0.700 61.0-143.2-124.8 174.4 7.2 -12.9 -7.5 55 71 A N S S+ 0 0 74 -2,-0.2 24,-2.0 1,-0.2 2,-0.4 0.244 87.1 67.0-119.7 5.4 8.0 -13.5 -3.9 56 72 A T E -B 78 0B 52 22,-0.2 2,-0.4 -5,-0.1 22,-0.2 -0.942 65.9-167.2-134.0 110.9 8.7 -9.9 -3.0 57 73 A W E -B 77 0B 0 20,-2.0 20,-2.3 -2,-0.4 2,-0.5 -0.801 6.9-152.3-104.2 138.8 5.7 -7.4 -3.0 58 74 A F E +B 76 0B 132 -2,-0.4 2,-0.2 18,-0.2 18,-0.2 -0.942 24.1 160.0-116.5 121.0 6.1 -3.6 -2.9 59 75 A Y E -B 75 0B 13 16,-2.7 16,-2.1 -2,-0.5 2,-0.2 -0.787 27.3-124.2-132.1 174.8 3.4 -1.5 -1.4 60 76 A V - 0 0 30 -38,-0.3 2,-0.2 14,-0.3 14,-0.2 -0.680 20.3-110.8-122.2 169.1 3.0 2.0 0.0 61 77 A F - 0 0 49 -2,-0.2 3,-0.2 -38,-0.2 -40,-0.1 -0.603 42.1 -87.2-100.4 164.3 1.7 3.6 3.2 62 78 A R - 0 0 93 -2,-0.2 -1,-0.1 1,-0.2 2,-0.1 -0.141 67.3 -60.5 -68.0 160.4 -1.4 5.8 3.8 63 79 A Q S S+ 0 0 95 -44,-0.1 -1,-0.2 2,-0.1 -40,-0.0 -0.219 73.2 170.0 -39.1 102.7 -1.5 9.5 3.3 64 80 A Q - 0 0 48 -3,-0.2 -3,-0.0 -2,-0.1 -1,-0.0 -0.918 45.5-113.3-128.7 151.7 1.1 10.7 5.8 65 81 A P - 0 0 131 0, 0.0 7,-0.1 0, 0.0 3,-0.1 0.718 37.2-139.2 -56.4 -28.0 2.7 14.1 6.5 66 82 A G + 0 0 20 5,-0.3 2,-0.5 1,-0.1 6,-0.1 0.983 27.8 179.2 61.6 61.5 6.2 13.0 5.5 67 83 A H + 0 0 186 4,-0.2 2,-0.2 2,-0.0 -1,-0.1 -0.098 55.5 54.2 -89.0 37.8 8.0 14.9 8.3 68 84 A E S S- 0 0 137 -2,-0.5 0, 0.0 2,-0.3 0, 0.0 -0.835 102.8 -84.3-149.3-177.3 11.4 13.7 7.2 69 85 A G S S+ 0 0 60 -2,-0.2 2,-0.4 2,-0.1 -1,-0.1 0.914 124.5 46.9 -61.8 -44.4 13.8 13.6 4.3 70 86 A V S S- 0 0 25 1,-0.2 -2,-0.3 -3,-0.1 25,-0.2 -0.781 72.2-175.4 -91.4 145.5 11.9 10.5 3.4 71 87 A T + 0 0 49 23,-0.8 -5,-0.3 -2,-0.4 -4,-0.2 0.849 54.9 52.2-104.5 -61.7 8.2 10.7 3.4 72 88 A Q - 0 0 16 22,-0.5 21,-2.9 24,-0.2 2,-0.4 -0.177 64.1-138.2 -82.3 168.4 6.6 7.4 2.7 73 89 A Q E - C 0 92B 58 19,-0.3 2,-0.3 -11,-0.1 -12,-0.1 -0.995 20.3-144.3-127.3 121.6 7.0 4.0 4.2 74 90 A T E - C 0 91B 32 17,-2.2 17,-2.0 -2,-0.4 2,-0.6 -0.660 3.2-141.2 -90.4 141.2 7.0 1.0 1.9 75 91 A L E -BC 59 90B 0 -16,-2.1 -16,-2.7 -2,-0.3 2,-0.7 -0.899 16.8-171.7 -99.6 117.5 5.6 -2.4 2.6 76 92 A T E -BC 58 89B 12 13,-3.9 13,-2.4 -2,-0.6 2,-0.5 -0.920 11.1-152.9-111.6 107.2 7.8 -5.2 1.3 77 93 A L E -BC 57 88B 0 -20,-2.3 -20,-2.0 -2,-0.7 2,-0.5 -0.697 6.2-156.9 -88.5 125.4 6.0 -8.5 1.6 78 94 A T E -BC 56 87B 49 9,-2.5 8,-2.5 -2,-0.5 9,-1.6 -0.893 8.8-170.4-106.9 124.3 8.3 -11.5 1.9 79 95 A F E - C 0 85B 11 -24,-2.0 6,-0.2 -2,-0.5 -44,-0.1 -0.896 15.4-132.1-114.7 141.5 7.1 -15.0 0.9 80 96 A N > - 0 0 65 4,-2.5 3,-1.0 -2,-0.4 -1,-0.1 -0.088 45.6 -79.5 -75.7-175.3 8.8 -18.3 1.5 81 97 A S T 3 S+ 0 0 127 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.843 130.5 52.7 -57.7 -35.2 9.3 -21.0 -1.1 82 98 A S T 3 S- 0 0 108 2,-0.1 -1,-0.3 1,-0.1 3,-0.1 0.737 120.4-105.8 -76.8 -19.8 5.7 -22.3 -0.7 83 99 A G S < S+ 0 0 9 -3,-1.0 -47,-1.2 1,-0.3 2,-0.3 0.696 74.6 139.8 97.8 26.9 4.2 -18.8 -1.2 84 100 A V B -A 35 0A 37 -49,-0.2 -4,-2.5 -48,-0.1 -1,-0.3 -0.817 61.1 -99.2-106.8 142.1 3.4 -18.3 2.4 85 101 A L E +C 79 0B 7 -51,-3.3 -52,-0.4 -2,-0.3 -6,-0.2 -0.423 46.2 161.5 -60.9 124.0 3.8 -15.0 4.3 86 102 A T E + 0 0 64 -8,-2.5 2,-0.3 1,-0.4 -7,-0.2 0.713 64.5 6.0-109.7 -41.7 7.0 -15.1 6.4 87 103 A N E -C 78 0B 78 -9,-1.6 -9,-2.5 -56,-0.1 2,-0.8 -1.000 51.0-143.9-149.0 145.9 7.6 -11.4 7.0 88 104 A I E -C 77 0B 29 -2,-0.3 2,-1.1 -11,-0.2 -11,-0.2 -0.866 26.7-160.2-106.3 94.7 5.9 -8.1 6.5 89 105 A D E +C 76 0B 64 -13,-2.4 -13,-3.9 -2,-0.8 2,-0.8 -0.639 14.4 176.2 -86.7 98.8 8.8 -5.8 5.8 90 106 A N E +C 75 0B 88 -2,-1.1 -15,-0.2 -15,-0.2 -2,-0.1 -0.881 17.2 145.3-106.9 106.4 7.7 -2.2 6.5 91 107 A K E -C 74 0B 84 -17,-2.0 -17,-2.2 -2,-0.8 -2,-0.0 -0.848 52.6 -68.2-133.7 169.5 10.6 0.2 6.0 92 108 A P E -C 73 0B 85 0, 0.0 -19,-0.3 0, 0.0 3,-0.1 -0.195 48.2-135.3 -67.2 150.8 11.0 3.8 4.7 93 109 A A - 0 0 19 -21,-2.9 4,-0.1 1,-0.3 2,-0.1 0.053 39.6 -56.9 -83.8-166.2 10.5 4.6 1.1 94 110 A L - 0 0 126 2,-0.3 -23,-0.8 1,-0.1 -22,-0.5 -0.286 57.7-102.5 -65.2 162.9 12.3 6.7 -1.4 95 111 A S S S- 0 0 94 -25,-0.2 2,-0.2 -24,-0.1 -1,-0.1 0.487 101.0 -15.3 -72.1 -2.3 12.8 10.4 -0.5 96 112 A G 0 0 34 -26,-0.1 -2,-0.3 -25,-0.0 -24,-0.2 -0.696 360.0 360.0-163.2-142.1 10.0 11.1 -2.9 97 113 A N 0 0 154 -2,-0.2 -2,-0.0 -4,-0.1 -4,-0.0 -0.138 360.0 360.0-150.8 360.0 8.1 9.4 -5.7