==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=10-APR-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER BIOTIN-BINDING PROTEIN 11-NOV-10 3PK2 . COMPND 2 MOLECULE: STREPTAVIDIN; . SOURCE 2 ORGANISM_SCIENTIFIC: STREPTOMYCES AVIDINII; . AUTHOR T.SCHIRMER,T.HEINISCH . 122 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 7134.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 81 66.4 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 . 60 49.2 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 . 2 1.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 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 . 12 9.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 7 5.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 2 1.6 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 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 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 . 0 1 0 1 1 2 0 0 2 1 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 1 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 13 A D > 0 0 82 0, 0.0 4,-2.8 0, 0.0 5,-0.3 0.000 360.0 360.0 360.0 -7.4 5.1 24.3 11.8 2 14 A E H > + 0 0 86 1,-0.2 4,-1.8 2,-0.2 19,-0.4 0.931 360.0 44.8 -50.9 -45.6 3.8 21.4 9.7 3 15 A A H 4 S+ 0 0 94 1,-0.2 -1,-0.2 2,-0.2 18,-0.0 0.877 113.7 49.2 -67.6 -40.9 0.8 23.6 9.1 4 16 A G H 4 S+ 0 0 26 1,-0.2 -2,-0.2 80,-0.0 -1,-0.2 0.849 113.5 44.2 -69.6 -38.0 2.8 26.7 8.4 5 17 A I H < S+ 0 0 0 -4,-2.8 14,-0.2 79,-0.1 -2,-0.2 0.884 90.7 93.1 -76.4 -42.1 5.3 25.1 5.9 6 18 A T S < S+ 0 0 52 -4,-1.8 2,-0.3 -5,-0.3 14,-0.2 -0.314 72.2 47.4 -59.0 127.2 2.7 23.1 3.9 7 19 A G E S-A 19 0A 21 12,-2.7 12,-2.5 -2,-0.1 2,-0.5 -0.931 92.6 -34.9 141.6-161.3 1.5 25.1 0.8 8 20 A T E -A 18 0A 45 -2,-0.3 2,-0.3 10,-0.2 10,-0.2 -0.841 50.0-175.2-105.8 131.9 2.7 27.2 -2.1 9 21 A W E -A 17 0A 0 8,-3.2 8,-3.0 -2,-0.5 2,-0.4 -0.903 9.2-156.1-125.6 152.8 5.6 29.5 -1.9 10 22 A Y E -AB 16 119A 68 109,-2.7 109,-2.5 -2,-0.3 6,-0.2 -0.987 8.4-150.5-130.5 136.4 7.1 32.0 -4.3 11 23 A N E > - B 0 118A 1 4,-1.8 3,-1.4 -2,-0.4 107,-0.2 -0.409 36.8 -95.0-100.1-178.8 10.7 33.4 -4.4 12 24 A Q T 3 S+ 0 0 92 105,-0.6 106,-0.1 1,-0.3 -1,-0.1 0.679 123.1 57.5 -68.4 -19.4 12.1 36.7 -5.6 13 25 A L T 3 S- 0 0 80 2,-0.1 -1,-0.3 22,-0.0 103,-0.0 0.534 120.7-106.2 -85.5 -9.9 12.8 35.2 -9.0 14 26 A G S < S+ 0 0 31 -3,-1.4 -2,-0.1 1,-0.3 2,-0.1 0.533 70.7 148.4 92.4 8.1 9.2 34.3 -9.5 15 27 A S - 0 0 0 18,-0.1 -4,-1.8 1,-0.0 2,-0.5 -0.399 41.4-133.2 -73.4 155.2 9.7 30.6 -9.0 16 28 A T E -AC 10 32A 30 16,-2.5 16,-2.6 -6,-0.2 2,-0.5 -0.956 16.3-170.2-119.9 124.8 7.0 28.4 -7.4 17 29 A F E -AC 9 31A 0 -8,-3.0 -8,-3.2 -2,-0.5 2,-0.5 -0.963 3.9-171.7-117.4 112.1 7.7 26.0 -4.6 18 30 A I E +AC 8 30A 45 12,-3.0 12,-1.8 -2,-0.5 2,-0.3 -0.947 18.1 169.3-109.9 121.3 4.8 23.6 -3.7 19 31 A V E -AC 7 29A 2 -12,-2.5 -12,-2.7 -2,-0.5 2,-0.5 -0.968 31.4-156.4-139.8 146.3 5.4 21.5 -0.6 20 32 A T E - C 0 28A 79 8,-2.9 8,-1.7 -2,-0.3 2,-0.6 -0.994 17.9-150.9-117.4 126.2 3.8 19.2 2.0 21 33 A A E - C 0 27A 1 -2,-0.5 6,-0.2 -19,-0.4 -15,-0.1 -0.875 14.7-143.7 -97.5 119.8 5.3 18.9 5.4 22 34 A G > - 0 0 19 4,-2.9 3,-1.3 -2,-0.6 26,-0.1 -0.430 22.8-114.5 -80.4 158.0 4.8 15.5 7.1 23 35 A A T 3 S+ 0 0 77 1,-0.3 -1,-0.1 2,-0.1 -21,-0.1 0.747 116.4 54.7 -60.1 -21.9 4.2 15.1 10.8 24 36 A D T 3 S- 0 0 103 2,-0.0 -1,-0.3 25,-0.0 26,-0.2 0.558 128.6 -88.0 -93.6 -15.5 7.5 13.2 10.9 25 37 A G S < S+ 0 0 0 -3,-1.3 23,-2.1 1,-0.3 2,-0.1 0.367 79.6 141.9 116.3 -1.4 9.8 15.8 9.3 26 38 A A E - D 0 47A 23 21,-0.2 -4,-2.9 19,-0.0 2,-0.4 -0.469 32.6-163.2 -71.1 141.4 9.3 14.8 5.6 27 39 A L E +CD 21 46A 0 19,-2.2 19,-2.3 -6,-0.2 2,-0.3 -0.999 17.3 164.7-121.5 131.4 9.1 17.5 2.8 28 40 A T E +CD 20 45A 70 -8,-1.7 -8,-2.9 -2,-0.4 2,-0.3 -0.994 19.5 87.9-142.4 146.2 7.7 16.5 -0.5 29 41 A G E -CD 19 44A 23 15,-1.7 15,-2.5 -2,-0.3 2,-0.3 -0.988 60.7 -64.5 165.2-152.4 6.4 18.5 -3.5 30 42 A T E -CD 18 43A 40 -12,-1.8 -12,-3.0 -2,-0.3 2,-0.4 -0.938 26.4-152.7-134.6 153.0 7.3 20.2 -6.8 31 43 A Y E -CD 17 42A 3 11,-2.5 11,-2.0 -2,-0.3 2,-0.5 -0.990 4.2-169.5-127.6 135.9 9.4 23.1 -7.9 32 44 A E E -C 16 0A 79 -16,-2.6 -16,-2.5 -2,-0.4 2,-0.4 -0.976 16.2-149.7-124.9 112.4 9.0 25.3 -10.9 33 45 A S - 0 0 25 -2,-0.5 7,-0.1 7,-0.5 5,-0.1 -0.698 11.8-156.9 -85.9 133.4 11.9 27.6 -11.7 34 46 A A S S+ 0 0 59 -2,-0.4 2,-0.3 5,-0.1 -1,-0.1 0.601 80.6 41.8 -76.1 -13.1 11.3 31.0 -13.4 35 47 A V S S+ 0 0 72 2,-0.0 -2,-0.1 4,-0.0 2,-0.0 -0.874 91.4 24.1-133.7 161.7 14.9 30.9 -14.6 36 48 A G S S- 0 0 65 -2,-0.3 2,-2.2 1,-0.1 -3,-0.0 -0.238 105.9 -26.6 85.7-170.0 17.6 28.6 -16.0 37 49 A N S S+ 0 0 93 37,-0.1 2,-0.3 -2,-0.0 37,-0.2 -0.521 101.1 116.5 -83.6 71.5 17.4 25.4 -18.0 38 50 A A - 0 0 16 -2,-2.2 2,-0.3 -5,-0.1 3,-0.1 -0.998 39.0-179.1-146.1 141.1 14.1 24.5 -16.6 39 51 A E - 0 0 79 -2,-0.3 32,-0.3 33,-0.1 33,-0.2 -0.978 55.9 -25.0-144.8 131.7 10.6 23.9 -17.8 40 52 A S S S- 0 0 43 -2,-0.3 -7,-0.5 -7,-0.1 2,-0.2 -0.196 101.7 -18.3 67.8-156.9 7.4 22.9 -15.8 41 53 A R - 0 0 140 -9,-0.1 2,-0.3 -3,-0.1 -9,-0.2 -0.593 52.1-166.1 -93.0 145.2 7.5 21.1 -12.5 42 54 A Y E -D 31 0A 2 -11,-2.0 -11,-2.5 -2,-0.2 27,-0.1 -0.959 29.8-105.4-124.9 143.6 10.3 19.0 -10.9 43 55 A V E -D 30 0A 115 -2,-0.3 23,-0.6 25,-0.3 2,-0.3 -0.408 37.5-170.7 -66.4 139.2 10.1 16.6 -8.0 44 56 A L E +DE 29 65A 3 -15,-2.5 -15,-1.7 21,-0.2 2,-0.3 -0.973 9.1 178.6-128.6 148.9 11.5 17.9 -4.7 45 57 A T E +DE 28 64A 84 19,-1.5 19,-2.5 -2,-0.3 2,-0.3 -0.988 16.1 136.6-142.3 149.4 12.2 16.1 -1.4 46 58 A G E -DE 27 63A 12 -19,-2.3 -19,-2.2 -2,-0.3 2,-0.3 -0.888 37.2-106.5-165.4-164.0 13.6 17.3 1.8 47 59 A R E -DE 26 62A 146 15,-2.0 15,-2.4 -2,-0.3 2,-0.3 -0.976 19.3-168.6-142.6 152.1 13.5 17.4 5.6 48 60 A Y E - E 0 61A 16 -23,-2.1 2,-0.8 -2,-0.3 13,-0.2 -0.966 37.6 -99.0-139.0 157.5 12.6 19.8 8.3 49 61 A D - 0 0 74 11,-2.5 -24,-0.1 -2,-0.3 -25,-0.0 -0.692 34.6-168.5 -73.8 107.1 12.9 20.0 12.1 50 62 A S S S+ 0 0 60 -2,-0.8 -48,-0.2 1,-0.3 -1,-0.1 0.315 80.9 42.6 -86.9 6.8 9.4 18.9 13.2 51 63 A A S S+ 0 0 78 -50,-0.1 -1,-0.3 -26,-0.0 3,-0.1 -0.454 83.7 176.1-145.9 69.3 10.0 20.0 16.9 52 64 A P - 0 0 29 0, 0.0 7,-0.1 0, 0.0 6,-0.0 -0.190 39.2 -74.4 -78.2 167.0 11.7 23.4 16.7 53 65 A A - 0 0 53 5,-0.3 3,-0.3 1,-0.1 2,-0.2 -0.277 30.7-146.8 -61.9 140.1 12.7 25.7 19.6 54 66 A T S S+ 0 0 148 1,-0.2 -1,-0.1 2,-0.1 0, 0.0 -0.438 78.5 92.4-103.4 44.0 9.9 27.6 21.2 55 67 A D S S- 0 0 118 -2,-0.2 -1,-0.2 3,-0.1 3,-0.1 -0.010 115.3 -84.3-123.5 25.6 12.0 30.6 21.8 56 68 A G S S+ 0 0 82 -3,-0.3 -2,-0.1 1,-0.3 2,-0.0 0.452 85.4 141.6 84.8 1.8 11.2 32.5 18.6 57 69 A S - 0 0 64 -4,-0.1 -1,-0.3 1,-0.1 -2,-0.1 -0.338 53.8-106.0 -72.4 155.7 13.9 30.7 16.6 58 70 A G - 0 0 20 27,-0.1 2,-0.6 -3,-0.1 -5,-0.3 -0.237 31.9-106.9 -70.6 169.6 13.3 29.7 13.0 59 71 A T E - F 0 84A 3 25,-2.4 25,-2.3 -7,-0.1 -1,-0.1 -0.904 32.6-130.9-104.0 112.0 12.6 26.1 11.9 60 72 A A E + F 0 83A 58 -2,-0.6 -11,-2.5 23,-0.2 2,-0.3 -0.303 40.3 153.7 -62.7 140.7 15.6 24.5 10.1 61 73 A L E -EF 48 82A 12 21,-2.4 21,-2.5 -13,-0.2 2,-0.3 -0.983 20.3-173.9-160.2 164.8 14.8 22.8 6.8 62 74 A G E -EF 47 81A 20 -15,-2.4 -15,-2.0 -2,-0.3 2,-0.3 -0.982 1.6-176.5-159.4 158.8 16.3 21.8 3.5 63 75 A W E -EF 46 80A 4 17,-2.0 17,-2.4 -2,-0.3 2,-0.4 -0.979 13.3-140.1-155.3 162.9 15.3 20.2 0.1 64 76 A T E -EF 45 79A 58 -19,-2.5 -19,-1.5 -2,-0.3 2,-0.4 -0.972 6.8-168.5-128.1 139.9 16.7 19.1 -3.2 65 77 A V E -EF 44 78A 0 13,-2.5 13,-2.6 -2,-0.4 2,-0.5 -1.000 10.7-154.5-122.0 128.9 15.6 19.3 -6.8 66 78 A A E - F 0 77A 59 -23,-0.6 2,-1.8 -2,-0.4 11,-0.2 -0.924 24.5-129.9 -95.4 128.9 17.3 17.3 -9.5 67 79 A W E S+ 0 0 17 9,-2.7 7,-2.8 -2,-0.5 2,-0.4 -0.178 72.4 106.5 -85.0 47.5 16.7 19.2 -12.8 68 80 A K E + F 0 73A 134 -2,-1.8 -25,-0.3 5,-0.2 5,-0.2 -0.994 34.6 140.7-121.6 126.9 15.5 16.3 -14.8 69 81 A N - 0 0 26 3,-2.6 -27,-0.1 -2,-0.4 -29,-0.0 -0.772 68.8 -74.1-142.4-167.1 11.8 15.9 -15.7 70 82 A N S S+ 0 0 167 -2,-0.2 3,-0.1 1,-0.2 -2,-0.0 0.660 129.0 42.8 -67.6 -15.1 9.9 14.7 -18.8 71 83 A Y S S+ 0 0 145 1,-0.3 2,-0.3 -32,-0.3 -1,-0.2 0.826 121.4 3.6 -97.1 -41.0 10.7 17.9 -20.6 72 84 A R - 0 0 97 -33,-0.2 -3,-2.6 -35,-0.0 2,-0.4 -0.966 44.3-151.5-149.1 155.5 14.3 18.6 -19.9 73 85 A N E +F 68 0A 69 -2,-0.3 -5,-0.2 -5,-0.2 -35,-0.1 -0.898 11.8 177.3-133.2 108.0 17.5 17.4 -18.2 74 86 A A E - 0 0 21 -7,-2.8 27,-0.2 -2,-0.4 -6,-0.1 0.262 42.2-127.0 -91.8 9.5 19.9 20.1 -17.1 75 87 A H E S+ 0 0 128 -8,-0.3 26,-3.0 1,-0.2 2,-0.3 0.891 73.2 100.3 46.7 51.4 22.3 17.6 -15.5 76 88 A S E - G 0 100A 23 24,-0.3 -9,-2.7 2,-0.0 2,-0.3 -0.972 56.0-149.1-157.7 164.1 22.3 19.4 -12.2 77 89 A A E -FG 66 99A 35 22,-2.3 22,-2.7 -2,-0.3 2,-0.4 -0.995 8.5-156.5-142.7 137.8 20.9 19.5 -8.7 78 90 A T E -FG 65 98A 4 -13,-2.6 -13,-2.5 -2,-0.3 2,-0.4 -0.954 4.1-166.0-115.4 135.2 20.0 22.3 -6.3 79 91 A T E -FG 64 97A 53 18,-2.2 18,-2.2 -2,-0.4 2,-0.5 -0.985 5.5-158.2-117.2 130.9 19.8 22.1 -2.6 80 92 A W E -FG 63 96A 8 -17,-2.4 -17,-2.0 -2,-0.4 2,-0.4 -0.934 9.2-174.8-105.2 131.0 18.2 24.8 -0.5 81 93 A S E +FG 62 95A 84 14,-2.9 14,-2.6 -2,-0.5 2,-0.3 -0.990 32.3 97.0-123.7 130.3 19.2 25.0 3.2 82 94 A G E -FG 61 94A 19 -21,-2.5 -21,-2.4 -2,-0.4 2,-0.4 -0.907 59.3 -75.0-176.1-156.5 17.5 27.5 5.5 83 95 A Q E -FG 60 93A 96 10,-2.0 10,-2.4 -2,-0.3 2,-0.5 -0.996 22.7-133.4-139.0 144.7 14.8 28.3 8.0 84 96 A Y E -FG 59 92A 18 -25,-2.3 -25,-2.4 -2,-0.4 2,-0.5 -0.808 19.8-167.1 -89.9 128.4 11.0 28.8 8.0 85 97 A V E - 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0 0 62 -2,-0.4 5,-0.1 1,-0.0 2,-0.1 -0.899 40.7 -93.5-136.6 167.3 31.0 17.9 -15.0 103 115 A T > - 0 0 84 -2,-0.3 3,-0.6 1,-0.1 4,-0.3 -0.352 47.2-107.3 -67.5 162.3 34.2 16.3 -16.1 104 116 A E G > S+ 0 0 194 1,-0.2 3,-1.2 2,-0.2 4,-0.3 0.889 121.4 58.2 -63.4 -36.0 36.9 15.9 -13.4 105 117 A A G 3 S+ 0 0 79 1,-0.2 3,-0.3 2,-0.1 -1,-0.2 0.791 111.6 40.8 -62.4 -30.0 38.8 18.7 -15.1 106 118 A N G X S+ 0 0 67 -3,-0.6 3,-1.6 1,-0.2 -1,-0.2 0.314 82.1 105.6-102.1 8.0 35.9 21.1 -14.8 107 119 A A G X + 0 0 45 -3,-1.2 3,-1.7 -4,-0.3 4,-0.2 0.795 69.4 67.2 -60.5 -30.9 34.9 20.1 -11.2 108 120 A W G 3 S+ 0 0 206 -4,-0.3 -1,-0.3 -3,-0.3 3,-0.2 0.769 107.6 40.1 -62.0 -26.8 36.3 23.3 -9.8 109 121 A K G < S+ 0 0 129 -3,-1.6 -1,-0.3 1,-0.1 -2,-0.2 -0.051 88.3 101.6-110.8 32.5 33.6 25.3 -11.6 110 122 A S < + 0 0 23 -3,-1.7 -10,-2.8 1,-0.1 2,-0.5 0.650 67.6 67.7 -87.5 -18.1 30.7 22.8 -11.0 111 123 A T E - H 0 99A 69 -3,-0.2 2,-0.3 -12,-0.2 -12,-0.2 -0.921 54.5-166.9-127.1 119.2 28.9 24.5 -8.2 112 124 A L E - 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