==== 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 UNKNOWN FUNCTION 12-MAY-10 2KXT . COMPND 2 MOLECULE: TELLURITE RESISTANCE PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: KLEBSIELLA PNEUMONIAE; . AUTHOR Y.R.PAN,Y.C.LOU,J.RIZO,C.CHEN . 174 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9805.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 95 54.6 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 . 49 28.2 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 1 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 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 . 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 . 13 7.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 14 8.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 11 6.3 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 2 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 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 . 5 1 3 0 1 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 ANTIPARALLEL BRIDGES PER LADDER . 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 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 1 A S 0 0 84 0, 0.0 2,-0.7 0, 0.0 149,-0.2 0.000 360.0 360.0 360.0 27.9 -6.3 -19.8 -7.4 2 2 A M + 0 0 34 147,-0.8 147,-0.2 1,-0.2 3,-0.1 -0.659 360.0 173.3 -80.2 115.9 -3.6 -17.1 -7.2 3 3 A K S S+ 0 0 119 -2,-0.7 75,-1.6 1,-0.2 74,-0.7 0.716 70.1 17.5 -93.9 -23.1 -0.3 -18.8 -6.4 4 4 A N E -A 76 0A 34 72,-0.2 113,-1.1 73,-0.2 2,-0.3 -0.993 64.8-175.7-146.3 152.3 1.8 -15.6 -6.9 5 5 A V E -A 75 0A 2 70,-1.3 70,-2.1 -2,-0.3 2,-0.3 -0.979 9.5-162.4-146.2 158.5 1.1 -11.8 -7.0 6 6 A L E -AB 74 114A 31 108,-1.9 108,-1.7 -2,-0.3 2,-0.2 -0.845 8.6-160.1-147.7 107.6 3.0 -8.6 -7.7 7 7 A V E -AB 73 113A 11 66,-1.6 66,-2.0 -2,-0.3 2,-0.4 -0.580 7.2-161.5 -86.1 150.8 1.7 -5.1 -6.8 8 8 A G E -AB 72 112A 3 104,-1.8 104,-1.1 64,-0.2 2,-0.5 -0.941 7.8-174.6-137.9 116.9 3.2 -2.1 -8.5 9 9 A L E +AB 71 111A 4 62,-0.6 62,-2.7 -2,-0.4 61,-0.5 -0.928 14.9 165.1-110.9 126.8 2.9 1.5 -7.1 10 10 A G E + B 0 110A 0 100,-2.4 100,-2.2 -2,-0.5 2,-0.3 -0.998 4.5 164.3-142.2 145.5 4.3 4.4 -9.3 11 11 A W - 0 0 5 -2,-0.3 2,-0.5 57,-0.3 98,-0.2 -0.993 35.5-114.1-158.5 151.2 3.9 8.2 -9.3 12 12 A D - 0 0 57 -2,-0.3 95,-1.1 96,-0.3 96,-0.3 -0.756 29.8-137.9 -91.2 128.2 5.5 11.3 -10.8 13 13 A A - 0 0 15 -2,-0.5 2,-0.9 51,-0.3 53,-0.1 -0.635 20.0-118.1 -84.6 140.2 7.2 13.6 -8.2 14 14 A R - 0 0 108 -2,-0.3 2,-0.5 51,-0.0 3,-0.3 -0.644 28.9-155.2 -79.6 107.0 6.6 17.3 -8.7 15 15 A S + 0 0 108 -2,-0.9 5,-0.1 1,-0.2 -1,-0.0 -0.701 49.2 114.4 -84.9 124.6 10.1 18.8 -9.4 16 16 A T S S- 0 0 108 -2,-0.5 -1,-0.2 3,-0.2 4,-0.0 0.354 92.5 -1.5-155.9 -39.3 10.3 22.5 -8.4 17 17 A D S S- 0 0 133 -3,-0.3 -2,-0.1 2,-0.1 3,-0.1 0.083 116.8 -71.5-150.5 25.4 12.7 23.0 -5.5 18 18 A G S S+ 0 0 67 1,-0.3 -3,-0.1 -4,-0.1 2,-0.0 0.538 91.0 140.8 92.7 6.7 13.8 19.4 -4.6 19 19 A Q + 0 0 87 -5,-0.2 2,-0.3 -6,-0.0 -1,-0.3 -0.347 23.3 171.7 -77.5 164.0 10.4 18.5 -3.2 20 20 A D - 0 0 50 -7,-0.1 2,-0.3 -5,-0.1 44,-0.1 -0.940 28.6-122.7-170.3 146.8 8.9 15.0 -3.8 21 21 A F - 0 0 13 42,-0.4 2,-0.4 -2,-0.3 -10,-0.1 -0.692 20.3-167.7 -96.2 150.1 5.9 12.9 -2.6 22 22 A D - 0 0 21 -2,-0.3 72,-0.8 42,-0.1 73,-0.5 -0.851 3.4-162.1-140.9 104.5 6.4 9.5 -1.0 23 23 A L E -G 93 0B 5 -2,-0.4 2,-0.8 70,-0.2 70,-0.2 -0.541 21.4-125.6 -83.4 151.4 3.4 7.1 -0.6 24 24 A D E -G 92 0B 12 68,-3.3 68,-1.9 -2,-0.2 2,-0.5 -0.829 26.6-172.8-101.4 106.6 3.7 4.2 1.9 25 25 A A E +G 91 0B 7 -2,-0.8 2,-0.3 66,-0.2 66,-0.2 -0.843 19.9 148.3 -99.5 125.7 2.9 0.9 0.3 26 26 A S E -G 90 0B 2 64,-2.1 64,-2.1 -2,-0.5 2,-0.4 -0.960 42.5-115.8-149.4 167.6 2.7 -2.1 2.7 27 27 A A E -GH 89 43B 1 16,-0.6 16,-1.2 -2,-0.3 2,-0.5 -0.894 21.7-145.9-110.4 136.5 0.9 -5.5 3.1 28 28 A F E -G 88 0B 5 60,-2.9 60,-1.8 -2,-0.4 2,-0.4 -0.871 12.0-151.3-104.0 128.0 -1.4 -6.1 6.1 29 29 A L E +G 87 0B 26 -2,-0.5 2,-0.4 58,-0.2 9,-0.3 -0.777 15.8 178.8 -98.8 142.0 -1.5 -9.7 7.5 30 30 A L E -G 86 0B 17 56,-2.2 55,-1.4 -2,-0.4 56,-1.3 -0.982 19.6-138.5-144.6 131.6 -4.6 -11.1 9.3 31 31 A A E > -G 84 0B 11 4,-1.6 3,-0.9 -2,-0.4 53,-0.1 -0.220 32.7-107.6 -77.4 175.1 -5.2 -14.5 10.8 32 32 A A T 3 S+ 0 0 66 51,-0.5 -1,-0.1 1,-0.2 4,-0.1 0.470 110.3 79.3 -84.1 1.6 -8.5 -16.4 10.3 33 33 A N T 3 S- 0 0 127 2,-0.3 -1,-0.2 1,-0.0 3,-0.1 0.610 111.7-111.8 -83.1 -9.8 -9.4 -15.7 14.0 34 34 A G S < S+ 0 0 59 -3,-0.9 2,-0.3 1,-0.4 -2,-0.1 0.376 89.5 102.5 94.7 -5.0 -10.4 -12.1 13.0 35 35 A K S S- 0 0 120 1,-0.0 -4,-1.6 137,-0.0 -1,-0.4 -0.822 84.9 -98.5-109.7 150.4 -7.4 -10.7 14.9 36 36 A V - 0 0 18 -2,-0.3 -6,-0.2 133,-0.3 3,-0.1 -0.433 22.1-135.1 -66.0 136.5 -4.2 -9.5 13.3 37 37 A R S S+ 0 0 118 -8,-0.3 2,-0.3 1,-0.2 -1,-0.2 0.485 100.3 35.7 -71.0 5.4 -1.5 -12.2 13.4 38 38 A G S > S- 0 0 26 -9,-0.3 3,-0.8 -7,-0.0 -1,-0.2 -0.864 82.0-132.1-158.8 118.6 0.6 -9.2 14.5 39 39 A D T 3 S+ 0 0 132 -2,-0.3 131,-0.2 1,-0.3 132,-0.2 0.677 113.4 52.0 -47.7 -11.0 -0.5 -6.2 16.7 40 40 A A T 3 S- 0 0 45 127,-0.1 -1,-0.3 129,-0.1 129,-0.1 0.838 70.0-179.8 -95.7 -40.2 1.2 -4.2 13.9 41 41 A D < + 0 0 3 -3,-0.8 2,-0.4 1,-0.1 -2,-0.1 0.738 61.1 96.9 47.6 14.3 -0.6 -5.7 10.8 42 42 A F + 0 0 36 -14,-0.2 2,-0.4 -4,-0.1 -14,-0.2 -0.837 52.2 177.5-137.2 100.4 1.7 -3.2 9.1 43 43 A I B +H 27 0B 26 -16,-1.2 -16,-0.6 -2,-0.4 2,-0.2 -0.828 18.7 137.1-103.5 139.6 5.1 -4.4 7.7 44 44 A F S > S- 0 0 60 -2,-0.4 3,-3.5 -18,-0.1 13,-0.1 -0.693 70.1 -29.8-153.2-154.0 7.4 -1.9 5.8 45 45 A Y T 3 S+ 0 0 88 1,-0.3 3,-0.1 -2,-0.2 4,-0.1 0.852 123.2 73.2 -43.4 -36.2 11.1 -0.9 5.5 46 46 A N T 3 S+ 0 0 130 1,-0.2 -1,-0.3 2,-0.1 2,-0.3 0.593 106.6 40.8 -58.4 -1.6 11.4 -2.0 9.2 47 47 A N S < S- 0 0 55 -3,-3.5 -1,-0.2 1,-0.1 10,-0.2 -0.807 70.8-155.5-149.6 104.0 11.1 -5.5 7.6 48 48 A L S S- 0 0 131 -2,-0.3 9,-1.4 -3,-0.1 2,-0.3 0.831 87.1 -11.1 -49.2 -28.6 12.9 -6.3 4.3 49 49 A K B S-C 56 0A 115 7,-0.2 7,-0.2 -5,-0.1 -1,-0.1 -0.988 85.5 -83.9-165.2 160.1 10.2 -9.0 4.0 50 50 A S - 0 0 11 5,-2.4 4,-0.2 -2,-0.3 -3,-0.0 -0.400 29.6-143.9 -69.9 147.9 7.4 -10.7 6.0 51 51 A A S S+ 0 0 91 1,-0.1 -1,-0.1 2,-0.1 -4,-0.0 0.943 97.3 3.8 -78.8 -48.5 8.5 -13.6 8.2 52 52 A D S S+ 0 0 80 1,-0.1 32,-0.2 28,-0.1 -1,-0.1 0.348 119.5 77.5-116.2 1.6 5.4 -15.8 7.7 53 53 A G S S- 0 0 1 2,-0.1 23,-0.3 27,-0.1 3,-0.1 0.636 85.8-142.7 -86.5 -12.7 3.6 -13.5 5.2 54 54 A S + 0 0 26 -4,-0.2 22,-1.0 1,-0.2 2,-0.3 0.682 58.2 133.6 60.8 12.0 5.8 -14.7 2.3 55 55 A V E - D 0 75A 3 20,-0.2 -5,-2.4 22,-0.1 2,-0.3 -0.660 34.0-176.4 -93.1 150.3 5.6 -11.1 1.1 56 56 A T E -CD 49 74A 53 18,-2.4 18,-2.6 -2,-0.3 2,-0.5 -0.988 23.4-131.4-148.8 138.1 8.8 -9.1 0.1 57 57 A H E - D 0 73A 25 -9,-1.4 16,-0.2 -2,-0.3 3,-0.2 -0.748 10.9-156.2 -90.1 127.9 9.4 -5.5 -1.0 58 58 A T S S- 0 0 76 14,-3.2 2,-0.3 -2,-0.5 -1,-0.2 0.988 75.5 -24.2 -67.1 -56.9 11.5 -5.3 -4.2 59 59 A G - 0 0 31 13,-0.6 2,-0.8 11,-0.0 13,-0.2 -0.780 58.3-141.7-160.6 111.1 12.9 -1.8 -3.5 60 60 A D - 0 0 81 -2,-0.3 11,-0.1 -3,-0.2 -36,-0.0 -0.625 27.2-167.2 -77.4 110.9 11.3 0.9 -1.3 61 61 A N - 0 0 71 -2,-0.8 -1,-0.0 1,-0.1 10,-0.0 0.003 17.5-150.8 -81.9-164.3 11.9 4.2 -3.1 62 62 A R S S+ 0 0 194 -41,-0.0 -1,-0.1 3,-0.0 -2,-0.0 0.191 86.4 22.4-156.1 16.5 11.4 7.7 -1.6 63 63 A T S S- 0 0 43 -40,-0.0 -42,-0.4 2,-0.0 3,-0.1 0.374 76.6-140.2-154.6 -37.6 10.4 10.0 -4.5 64 64 A G + 0 0 0 1,-0.2 2,-0.4 -52,-0.1 -51,-0.3 0.713 34.3 175.5 73.9 16.4 9.0 7.9 -7.4 65 65 A E + 0 0 167 -53,-0.2 2,-0.3 2,-0.1 -1,-0.2 -0.382 46.1 53.6 -58.5 111.1 10.9 10.2 -9.8 66 66 A G S S- 0 0 30 -2,-0.4 -53,-0.1 -3,-0.1 4,-0.1 -0.973 91.6 -88.4 161.2-145.2 10.3 8.5 -13.2 67 67 A D S S+ 0 0 158 -2,-0.3 2,-0.3 -55,-0.1 -55,-0.1 -0.201 87.7 37.7-160.0 57.6 7.3 7.4 -15.3 68 68 A G S S- 0 0 29 -4,-0.2 2,-0.5 -57,-0.1 -57,-0.3 -0.984 106.6 -21.3 177.1-176.3 6.2 3.8 -14.4 69 69 A D + 0 0 65 -2,-0.3 -59,-0.3 1,-0.2 -60,-0.1 -0.245 59.0 179.3 -49.6 101.7 5.9 1.3 -11.5 70 70 A D + 0 0 28 -2,-0.5 -60,-0.2 -61,-0.5 -1,-0.2 0.990 63.7 29.1 -73.3 -63.9 8.3 2.9 -9.1 71 71 A E E S-A 9 0A 7 -62,-2.7 -62,-0.6 -11,-0.1 2,-0.3 -0.411 71.6-164.1 -90.2 171.7 8.0 0.5 -6.1 72 72 A S E -A 8 0A 33 -13,-0.2 -14,-3.2 -64,-0.2 -13,-0.6 -0.933 9.6-158.4-159.4 132.3 7.1 -3.2 -6.4 73 73 A L E -AD 7 57A 8 -66,-2.0 -66,-1.6 -2,-0.3 2,-0.4 -0.945 11.1-156.6-116.4 119.4 6.0 -5.9 -3.9 74 74 A K E -AD 6 56A 93 -18,-2.6 -18,-2.4 -2,-0.5 2,-0.4 -0.774 13.5-172.5 -95.7 135.9 6.6 -9.6 -4.7 75 75 A I E -AD 5 55A 3 -70,-2.1 -70,-1.3 -2,-0.4 2,-0.3 -0.963 17.2-169.6-129.5 146.9 4.3 -12.2 -3.0 76 76 A K E > +A 4 0A 130 -22,-1.0 3,-1.3 -2,-0.4 -72,-0.2 -0.760 11.1 170.1-135.3 87.6 4.4 -16.0 -2.8 77 77 A L G > S+ 0 0 2 -74,-0.7 3,-3.2 -2,-0.3 -73,-0.2 0.878 74.4 73.7 -67.9 -34.5 1.2 -17.4 -1.3 78 78 A D G 3 S+ 0 0 131 -75,-1.6 -1,-0.3 1,-0.3 -74,-0.1 0.631 100.2 49.5 -55.3 -5.7 2.1 -21.0 -2.4 79 79 A A G < S+ 0 0 63 -3,-1.3 -1,-0.3 -76,-0.2 -2,-0.2 0.101 84.4 105.4-119.3 20.7 4.6 -20.5 0.5 80 80 A V < - 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