==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=6-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER PEPTIDE BINDING PROTEIN 11-DEC-01 1KL4 . COMPND 2 MOLECULE: STREPTAVIDIN; . SOURCE 2 ORGANISM_SCIENTIFIC: STREPTOMYCES AVIDINII; . AUTHOR I.P.KORNDOERFER,A.SKERRA . 478 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 20739.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 322 67.4 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 . 245 51.3 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 . 8 1.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 0.8 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 . 35 7.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 38 7.9 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 . 4 2 0 5 3 4 4 0 8 4 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 0 0 0 0 0 0 0 0 0 0 0 2 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 16 A G 0 0 71 0, 0.0 86,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -71.0 14.3 26.9 12.6 2 17 A I + 0 0 12 79,-0.1 14,-0.2 16,-0.1 87,-0.0 0.887 360.0 93.6 -70.2 -36.4 15.5 23.6 14.1 3 18 A T + 0 0 63 15,-0.1 2,-0.3 12,-0.1 14,-0.2 -0.345 68.1 60.4 -58.2 131.1 17.5 25.4 16.9 4 19 A G E S-A 16 0A 24 12,-2.4 12,-2.7 2,-0.0 2,-0.5 -0.972 90.0 -46.5 149.3-157.7 15.4 25.7 20.0 5 20 A T E -A 15 0A 53 -2,-0.3 2,-0.3 10,-0.2 10,-0.2 -0.952 51.4-175.5-117.4 125.5 13.5 23.8 22.7 6 21 A W E -A 14 0A 0 8,-3.2 8,-2.9 -2,-0.5 2,-0.3 -0.851 9.8-154.1-125.0 153.9 11.2 21.0 21.5 7 22 A Y E -AB 13 116A 55 109,-2.8 109,-2.2 -2,-0.3 6,-0.2 -0.959 6.3-147.3-128.8 141.6 8.7 18.7 23.4 8 23 A N E > - B 0 115A 6 4,-1.8 3,-1.3 -2,-0.3 107,-0.2 -0.550 37.7 -95.6-100.5 179.2 7.4 15.3 22.6 9 24 A Q T 3 S+ 0 0 84 105,-0.5 106,-0.1 1,-0.3 -1,-0.1 0.710 117.8 56.3 -71.2 -18.3 4.0 13.8 23.4 10 25 A L T 3 S- 0 0 106 2,-0.0 -1,-0.3 110,-0.0 21,-0.1 0.154 121.3 -91.0-103.0 17.1 5.3 12.2 26.6 11 26 A G S < S+ 0 0 20 -3,-1.3 2,-0.1 1,-0.3 -2,-0.1 0.374 78.5 135.2 99.0 -8.9 6.7 15.1 28.5 12 27 A S - 0 0 14 20,-0.0 -4,-1.8 16,-0.0 2,-0.4 -0.453 42.5-142.6 -81.0 154.9 10.3 15.1 27.4 13 28 A T E -AC 7 29A 23 16,-2.7 16,-3.4 -6,-0.2 2,-0.5 -0.935 8.7-166.5-117.6 141.4 12.3 18.1 26.4 14 29 A F E -AC 6 28A 0 -8,-2.9 -8,-3.2 -2,-0.4 2,-0.5 -0.999 5.8-168.1-127.9 114.3 15.0 18.2 23.5 15 30 A I E +AC 5 27A 57 12,-3.2 12,-2.3 -2,-0.5 2,-0.4 -0.975 21.7 173.2-107.8 121.0 17.2 21.4 23.6 16 31 A V E -AC 4 26A 2 -12,-2.7 -12,-2.4 -2,-0.5 2,-0.4 -0.944 30.8-159.2-137.9 147.0 19.1 21.6 20.4 17 32 A T E - C 0 25A 77 8,-2.7 8,-2.0 -2,-0.4 2,-0.7 -0.999 15.7-148.7-123.5 124.5 21.4 23.8 18.5 18 33 A A E - C 0 24A 21 -2,-0.4 6,-0.2 6,-0.2 -15,-0.1 -0.861 21.7-146.8 -93.3 110.2 21.7 23.3 14.7 19 34 A G > - 0 0 21 4,-3.5 3,-1.6 -2,-0.7 26,-0.1 -0.303 21.5-114.7 -77.6 160.0 25.3 24.3 13.7 20 35 A A T 3 S+ 0 0 101 1,-0.3 -1,-0.1 2,-0.1 27,-0.0 0.835 114.1 57.0 -65.8 -24.9 26.2 25.9 10.5 21 36 A D T 3 S- 0 0 109 2,-0.0 -1,-0.3 1,-0.0 26,-0.1 0.340 127.6 -90.7 -88.6 11.2 28.3 22.8 9.5 22 37 A G S < S+ 0 0 1 -3,-1.6 23,-2.0 1,-0.3 2,-0.2 0.384 82.3 141.7 94.4 3.0 25.4 20.3 9.9 23 38 A A E - D 0 44A 22 21,-0.2 -4,-3.5 24,-0.0 2,-0.4 -0.516 36.1-161.1 -78.9 134.7 26.1 19.5 13.6 24 39 A L E +CD 18 43A 0 19,-2.3 19,-2.2 -6,-0.2 2,-0.3 -0.984 18.5 169.7-109.4 129.5 23.3 19.0 16.1 25 40 A T E +CD 17 42A 71 -8,-2.0 -8,-2.7 -2,-0.4 2,-0.3 -0.971 17.5 88.4-137.5 152.4 24.3 19.4 19.7 26 41 A G E -CD 16 41A 22 15,-1.3 15,-2.0 -2,-0.3 2,-0.4 -0.995 57.7 -58.1 163.0-160.6 22.2 19.6 22.9 27 42 A T E -CD 15 40A 40 -12,-2.3 -12,-3.2 -2,-0.3 2,-0.5 -0.987 24.0-153.7-133.8 137.7 20.5 18.2 25.9 28 43 A Y E -CD 14 39A 9 11,-3.3 11,-2.6 -2,-0.4 2,-0.5 -0.924 12.9-165.4-110.3 132.1 17.7 15.7 26.3 29 44 A I E -CD 13 38A 14 -16,-3.4 -16,-2.7 -2,-0.5 9,-0.2 -0.956 14.0-135.7-123.5 119.5 15.6 15.9 29.4 30 45 A G > - 0 0 18 7,-2.8 3,-1.6 -2,-0.5 7,-0.1 -0.201 36.2 -91.2 -67.8 167.6 13.3 13.1 30.4 31 46 A A T 3 S+ 0 0 66 1,-0.3 -1,-0.1 -21,-0.1 6,-0.0 0.807 121.9 64.3 -49.1 -42.4 9.8 13.6 31.6 32 47 A R T 3 S- 0 0 210 1,-0.1 -1,-0.3 2,-0.0 -20,-0.0 0.870 89.0-155.3 -52.4 -40.3 10.8 13.9 35.3 33 48 A G < + 0 0 45 -3,-1.6 -1,-0.1 1,-0.2 -2,-0.1 0.390 45.4 122.1 83.2 -3.3 12.7 17.1 34.5 34 49 A N S > S- 0 0 41 1,-0.1 3,-2.3 3,-0.0 -1,-0.2 -0.374 80.5 -93.6 -86.9 173.5 15.3 17.1 37.3 35 50 A A G > S+ 0 0 52 1,-0.3 3,-1.5 2,-0.2 33,-0.2 0.798 120.8 64.9 -59.5 -27.9 19.1 17.1 36.9 36 51 A E G 3 S+ 0 0 55 1,-0.3 -1,-0.3 32,-0.1 33,-0.1 0.579 100.5 53.8 -68.9 -9.8 19.3 13.3 37.1 37 52 A S G < S+ 0 0 9 -3,-2.3 -7,-2.8 -7,-0.1 2,-0.5 0.185 81.6 108.8-113.5 24.6 17.3 13.1 33.9 38 53 A R E < +D 29 0A 109 -3,-1.5 2,-0.3 -9,-0.2 -9,-0.2 -0.872 43.3 178.1-101.4 131.3 19.5 15.3 31.7 39 54 A Y E -D 28 0A 24 -11,-2.6 -11,-3.3 -2,-0.5 2,-0.2 -0.979 29.0-110.8-133.6 147.6 21.5 13.6 28.9 40 55 A V E -D 27 0A 73 25,-0.3 23,-0.5 -2,-0.3 2,-0.4 -0.444 32.0-165.9 -75.0 140.7 23.9 14.8 26.2 41 56 A L E -D 26 0A 3 -15,-2.0 -15,-1.3 -2,-0.2 2,-0.3 -0.955 9.0-178.4-127.0 148.3 22.8 14.5 22.6 42 57 A T E +DE 25 61A 21 19,-1.7 19,-2.6 -2,-0.4 2,-0.3 -0.994 17.3 136.7-142.6 142.4 24.7 14.7 19.3 43 58 A G E -DE 24 60A 1 -19,-2.2 -19,-2.3 -2,-0.3 2,-0.3 -0.919 37.3-110.2-159.5-165.2 23.5 14.5 15.7 44 59 A R E -DE 23 59A 27 15,-1.8 15,-2.1 -2,-0.3 2,-0.3 -0.949 21.9-174.2-143.0 151.3 23.6 15.7 12.1 45 60 A Y E - E 0 58A 31 -23,-2.0 2,-0.9 -2,-0.3 13,-0.2 -0.957 39.0 -95.4-144.9 159.6 21.1 17.4 9.8 46 61 A D - 0 0 4 11,-2.1 -24,-0.1 -2,-0.3 150,-0.0 -0.739 33.8-170.0 -75.0 109.3 20.9 18.4 6.2 47 62 A S S S+ 0 0 40 -2,-0.9 -1,-0.1 1,-0.2 -25,-0.1 0.417 79.7 43.6 -86.2 1.2 22.1 22.0 6.3 48 63 A A S S- 0 0 48 -26,-0.0 -1,-0.2 0, 0.0 146,-0.1 -0.564 82.1-176.9-139.5 69.9 21.0 22.7 2.6 49 64 A P - 0 0 53 0, 0.0 7,-0.1 0, 0.0 2,-0.1 -0.137 33.2 -85.1 -70.2 169.7 17.6 21.2 2.1 50 65 A A - 0 0 30 5,-0.3 4,-0.3 1,-0.1 3,-0.3 -0.353 26.2-140.1 -70.0 151.6 15.6 21.0 -1.1 51 66 A T S S+ 0 0 147 1,-0.2 -1,-0.1 2,-0.1 0, 0.0 0.095 80.0 91.7-102.0 23.6 13.4 23.9 -2.1 52 67 A D S S- 0 0 105 2,-0.0 -1,-0.2 170,-0.0 -2,-0.0 0.090 113.0 -84.9-104.5 22.8 10.5 21.9 -3.3 53 68 A G S S+ 0 0 57 -3,-0.3 170,-0.4 1,-0.3 2,-0.3 0.777 84.1 139.8 76.3 29.9 8.5 21.7 -0.1 54 69 A S - 0 0 30 -4,-0.3 -1,-0.3 168,-0.1 168,-0.2 -0.741 52.7-108.4 -94.4 156.0 10.3 18.7 1.4 55 70 A G - 0 0 9 166,-2.0 2,-0.6 -2,-0.3 -5,-0.3 -0.165 32.7-101.2 -72.5 173.2 11.3 18.4 5.0 56 71 A T E - F 0 81A 17 25,-2.6 25,-2.2 -7,-0.1 -1,-0.1 -0.901 35.0-133.1-103.7 111.3 14.8 18.6 6.4 57 72 A A E + F 0 80A 0 -2,-0.6 -11,-2.1 23,-0.2 2,-0.3 -0.359 37.6 154.5 -65.4 148.8 16.3 15.2 7.2 58 73 A L E -EF 45 79A 0 21,-2.3 21,-2.5 -13,-0.2 2,-0.3 -0.970 19.9-173.0-163.4 164.6 18.1 14.8 10.6 59 74 A G E -EF 44 78A 0 -15,-2.1 -15,-1.8 -2,-0.3 2,-0.3 -0.966 3.2-178.6-161.0 160.4 19.1 12.4 13.2 60 75 A W E -EF 43 77A 0 17,-1.7 17,-2.8 -2,-0.3 2,-0.3 -0.984 13.2-141.1-160.1 162.3 20.6 12.2 16.7 61 76 A T E -EF 42 76A 0 -19,-2.6 -19,-1.7 -2,-0.3 2,-0.4 -0.929 7.4-172.6-127.4 147.1 21.7 9.9 19.4 62 77 A V E - F 0 75A 0 13,-2.2 13,-2.8 -2,-0.3 2,-0.5 -0.974 13.4-153.2-135.5 121.8 21.6 9.9 23.3 63 78 A A E - F 0 74A 4 -23,-0.5 2,-2.3 -2,-0.4 11,-0.3 -0.854 26.8-125.2 -89.6 135.9 23.4 7.2 25.3 64 79 A W E S+ 0 0 42 9,-2.6 7,-2.8 -2,-0.5 2,-0.4 -0.256 73.1 107.4 -89.9 58.6 21.5 6.9 28.6 65 80 A K E + F 0 70A 63 -2,-2.3 -25,-0.3 5,-0.2 2,-0.2 -0.997 31.4 149.1-132.1 124.0 24.4 7.5 31.0 66 81 A N - 0 0 25 3,-2.5 -27,-0.1 -2,-0.4 -30,-0.1 -0.722 64.5 -79.0-132.5-163.8 25.0 10.6 33.0 67 82 A N S S+ 0 0 154 -2,-0.2 3,-0.1 1,-0.2 -31,-0.1 0.739 127.3 47.7 -75.2 -15.3 26.6 11.1 36.4 68 83 A Y S S- 0 0 140 1,-0.2 2,-0.3 -33,-0.2 -1,-0.2 0.824 121.3 -4.2 -94.0 -33.9 23.6 9.9 38.3 69 84 A R - 0 0 119 -33,-0.1 -3,-2.5 0, 0.0 2,-0.3 -0.960 47.2-145.0-155.3 172.2 22.8 6.7 36.4 70 85 A N E -F 65 0A 45 -2,-0.3 -5,-0.2 -5,-0.2 -6,-0.0 -0.892 8.0-178.9-149.6 107.9 23.5 4.3 33.5 71 86 A A E - 0 0 59 -7,-2.8 -6,-0.1 -2,-0.3 3,-0.1 0.339 41.9-127.9 -81.7 -0.0 20.8 2.3 31.7 72 87 A H E S+ 0 0 61 -8,-0.3 26,-2.9 1,-0.2 2,-0.3 0.909 73.1 102.8 48.2 53.5 23.4 0.6 29.4 73 88 A S E - G 0 97A 8 24,-0.3 -9,-2.6 106,-0.1 2,-0.3 -0.965 54.5-151.2-159.7 163.3 21.4 1.7 26.3 74 89 A A E -FG 63 96A 0 22,-2.3 22,-2.5 -2,-0.3 2,-0.4 -0.995 5.3-153.7-150.2 139.5 21.2 4.1 23.5 75 90 A T E -FG 62 95A 4 -13,-2.8 -13,-2.2 -2,-0.3 2,-0.4 -0.914 5.3-166.6-116.3 135.6 18.5 5.7 21.5 76 91 A T E -FG 61 94A 0 18,-2.2 18,-2.0 -2,-0.4 2,-0.4 -0.991 6.0-160.0-120.1 130.8 18.8 7.0 17.8 77 92 A W E -FG 60 93A 6 -17,-2.8 -17,-1.7 -2,-0.4 2,-0.4 -0.921 6.5-172.4-107.1 132.0 16.0 9.2 16.4 78 93 A S E +FG 59 92A 0 14,-3.0 14,-2.5 -2,-0.4 2,-0.3 -0.996 31.3 107.6-126.7 130.7 15.8 9.5 12.6 79 94 A G E -FG 58 91A 2 -21,-2.5 -21,-2.3 -2,-0.4 2,-0.3 -0.892 54.1 -92.8-173.2-164.9 13.3 12.0 11.1 80 95 A Q E -FG 57 90A 7 10,-1.9 10,-2.1 -2,-0.3 2,-0.4 -0.995 22.5-130.9-142.1 145.2 12.6 15.2 9.3 81 96 A Y E -FG 56 89A 41 -25,-2.2 -25,-2.6 -2,-0.3 2,-0.5 -0.863 20.2-162.8 -96.3 136.3 11.8 18.7 10.4 82 97 A V E - 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