==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=10-JUN-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER BIOTIN-BINDING PROTEIN 19-JUL-11 3SZI . COMPND 2 MOLECULE: AVIDIN/STREPTAVIDIN; . SOURCE 2 ORGANISM_SCIENTIFIC: SHEWANELLA DENITRIFICANS; . AUTHOR O.LIVNAH,A.MEIR . 1411 15 12 12 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 48180.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 1026 72.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 20 1.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 752 53.3 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 . 24 1.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 34 2.4 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 . 134 9.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 105 7.4 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 . 10 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 3 12 9 0 28 8 24 0 2 2 8 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 12 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 6 A E 0 0 106 0, 0.0 2,-1.3 0, 0.0 85,-0.1 0.000 360.0 360.0 360.0 -2.2 21.7 15.3 50.7 2 7 A L + 0 0 22 51,-0.1 2,-0.3 77,-0.0 51,-0.1 -0.801 360.0 150.7 -66.8 99.5 20.8 15.2 47.1 3 8 A T > - 0 0 68 -2,-1.3 3,-0.7 15,-0.0 15,-0.1 -0.907 55.2 -83.0-135.1 162.3 21.2 19.0 47.1 4 9 A A T 3 S+ 0 0 30 -2,-0.3 16,-0.2 1,-0.2 15,-0.2 -0.307 115.3 28.3 -56.1 151.9 22.1 21.8 44.7 5 10 A M T 3 S+ 0 0 53 13,-0.6 2,-0.4 14,-0.3 -1,-0.2 0.890 88.9 133.6 55.5 43.0 25.9 22.1 44.5 6 11 A S < - 0 0 2 -3,-0.7 12,-2.6 12,-0.4 2,-0.3 -0.946 40.8-151.7-117.8 146.9 26.6 18.4 45.3 7 12 A A E -AB 17 115A 0 108,-0.6 108,-2.1 293,-0.4 2,-0.4 -0.918 7.4-166.1-124.4 148.8 29.1 16.4 43.3 8 13 A W E -AB 16 114A 0 8,-2.3 8,-2.6 -2,-0.3 2,-0.4 -0.998 2.5-161.1-142.6 129.3 29.1 12.6 42.6 9 14 A V E -AB 15 113A 39 104,-2.7 104,-2.9 -2,-0.4 6,-0.2 -0.932 10.5-152.2-121.4 135.8 31.9 10.4 41.2 10 15 A N E > - B 0 112A 11 4,-2.4 3,-1.9 -2,-0.4 102,-0.2 -0.278 39.2 -84.3-101.5-176.3 31.5 6.9 39.8 11 16 A Q T 3 S+ 0 0 108 100,-0.6 101,-0.1 1,-0.3 99,-0.0 0.635 127.4 52.2 -62.8 -17.6 33.6 3.8 39.4 12 17 A D T 3 S- 0 0 76 2,-0.1 -1,-0.3 23,-0.1 24,-0.2 0.409 119.5-106.8 -94.0 -5.1 35.2 5.2 36.3 13 18 A G S < S+ 0 0 28 -3,-1.9 2,-0.2 1,-0.3 -2,-0.1 0.563 72.8 144.1 87.4 7.8 36.2 8.5 37.9 14 19 A S - 0 0 0 19,-0.1 -4,-2.4 20,-0.0 2,-0.4 -0.555 36.3-147.4 -79.5 147.2 33.4 10.4 36.0 15 20 A T E -AC 9 32A 7 17,-2.2 17,-2.4 -6,-0.2 2,-0.6 -0.960 16.3-155.0-128.4 132.8 31.7 13.2 37.9 16 21 A L E -AC 8 31A 0 -8,-2.6 -8,-2.3 -2,-0.4 2,-0.7 -0.925 14.6-163.2 -92.4 121.7 28.2 14.7 38.0 17 22 A Y E -AC 7 30A 9 13,-3.3 13,-2.2 -2,-0.6 2,-0.6 -0.933 8.4-153.0-105.8 105.0 28.4 18.3 39.2 18 23 A I E + C 0 29A 0 -12,-2.6 -13,-0.6 -2,-0.7 -12,-0.4 -0.733 18.1 175.8 -81.9 123.7 24.9 19.3 40.3 19 24 A N E + 0 0 26 9,-2.3 2,-0.3 -2,-0.6 -14,-0.3 0.917 58.6 4.3 -91.4 -59.8 24.5 23.1 39.9 20 25 A S E - C 0 28A 24 8,-1.2 8,-2.2 -16,-0.2 2,-0.3 -0.937 43.1-172.9-130.8 150.3 20.9 23.9 40.7 21 26 A I E - C 0 27A 40 -2,-0.3 6,-0.2 6,-0.2 -17,-0.2 -0.906 29.1-151.8-135.5 111.9 17.8 22.1 41.9 22 27 A N > - 0 0 66 4,-2.3 3,-1.8 -2,-0.3 -18,-0.0 -0.028 35.1 -84.4 -81.7-177.1 14.8 24.5 41.8 23 28 A A T 3 S+ 0 0 97 1,-0.3 -1,-0.1 2,-0.1 1186,-0.0 0.749 130.8 48.5 -60.4 -24.6 11.7 24.6 43.9 24 29 A Q T 3 S- 0 0 33 2,-0.1 -1,-0.3 28,-0.0 27,-0.1 0.461 121.6-105.3 -92.6 -5.8 10.0 22.0 41.6 25 30 A G < + 0 0 6 -3,-1.8 26,-2.1 1,-0.3 2,-0.3 0.570 65.9 154.3 91.8 9.3 13.0 19.7 41.7 26 31 A E E - D 0 50A 62 24,-0.2 -4,-2.3 1,-0.0 2,-0.3 -0.589 31.8-146.1 -75.3 134.5 14.3 20.5 38.2 27 32 A L E -CD 21 49A 0 22,-2.5 22,-1.0 -2,-0.3 2,-0.3 -0.782 21.2-179.8-107.0 141.6 18.0 19.9 38.0 28 33 A T E +CD 20 48A 63 -8,-2.2 -9,-2.3 -2,-0.3 -8,-1.2 -0.954 25.6 119.2-126.5 155.3 20.8 21.5 36.1 29 34 A G E -CD 18 47A 8 18,-1.6 18,-2.6 -2,-0.3 2,-0.3 -0.970 48.5 -96.7-178.7-165.2 24.5 20.6 36.1 30 35 A S E -CD 17 46A 3 -13,-2.2 -13,-3.3 -2,-0.3 2,-0.4 -0.958 21.9-152.5-136.5 153.8 27.5 19.4 34.2 31 36 A Y E -CD 16 45A 5 14,-2.0 14,-2.2 -2,-0.3 2,-0.5 -0.991 2.2-163.5-128.3 138.4 29.1 16.0 33.7 32 37 A I E -C 15 0A 3 -17,-2.4 -17,-2.2 -2,-0.4 2,-0.4 -0.979 14.9-148.6-120.5 117.7 32.7 15.1 33.0 33 38 A N B +i 41 0B 13 7,-0.6 9,-2.3 -2,-0.5 10,-0.2 -0.702 26.3 165.1 -82.5 131.0 33.3 11.6 31.6 34 39 A R + 0 0 70 -2,-0.4 2,-0.6 7,-0.2 -1,-0.1 0.092 28.0 136.6-128.9 21.9 36.6 10.0 32.5 35 40 A A > - 0 0 1 4,-0.2 3,-1.9 1,-0.1 -22,-0.1 -0.625 55.4-125.0 -78.9 116.6 35.7 6.4 31.6 36 41 A A T 3 S+ 0 0 93 -2,-0.6 3,-0.1 1,-0.2 -1,-0.1 -0.231 96.6 31.0 -51.5 140.2 38.5 4.6 29.7 37 42 A G T 3 S+ 0 0 87 1,-0.3 2,-0.3 0, 0.0 -1,-0.2 0.157 102.6 95.0 92.2 -20.6 37.3 3.3 26.4 38 43 A F < - 0 0 106 -3,-1.9 -1,-0.3 1,-0.1 3,-0.1 -0.715 65.7-137.5 -99.0 154.1 34.8 6.0 25.9 39 44 A A S S+ 0 0 52 -2,-0.3 -4,-0.2 1,-0.2 30,-0.1 -0.193 78.1 63.8 -91.1-167.7 35.2 9.2 23.9 40 45 A a S S+ 0 0 1 1,-0.2 -7,-0.6 28,-0.2 3,-0.3 0.913 75.8 160.5 52.4 48.4 34.0 12.7 25.0 41 46 A Q B +i 33 0B 57 1,-0.2 -7,-0.2 -3,-0.1 -1,-0.2 -0.630 45.6 13.5 -95.9 155.6 36.4 12.7 28.1 42 47 A N S S+ 0 0 92 -9,-2.3 -1,-0.2 -2,-0.2 -8,-0.1 0.588 99.4 93.9 67.0 15.5 37.7 15.5 30.2 43 48 A S S S- 0 0 4 -3,-0.3 -10,-0.5 -10,-0.2 2,-0.3 -0.967 78.5 -99.3-136.4 154.5 35.3 18.2 29.1 44 49 A P - 0 0 2 0, 0.0 -12,-0.2 0, 0.0 221,-0.1 -0.577 29.7-168.4 -85.1 135.2 32.0 19.4 30.6 45 50 A Y E -D 31 0A 0 -14,-2.2 -14,-2.0 -2,-0.3 19,-0.1 -0.969 28.5-113.0-117.0 126.3 28.7 18.4 29.1 46 51 A P E -D 30 0A 36 0, 0.0 15,-0.6 0, 0.0 2,-0.4 -0.315 33.2-160.1 -60.1 142.0 25.5 20.1 30.2 47 52 A V E +DE 29 60A 6 -18,-2.6 -18,-1.6 13,-0.2 2,-0.3 -0.959 13.3 178.6-123.3 141.9 23.0 18.1 32.3 48 53 A N E +DE 28 59A 1 11,-1.9 11,-2.6 -2,-0.4 2,-0.3 -0.832 23.6 112.6-128.4 172.0 19.3 18.4 33.0 49 54 A G E -DE 27 58A 0 -22,-1.0 -22,-2.5 -2,-0.3 2,-0.3 -0.995 49.0 -81.4 162.0-156.7 16.9 16.2 35.0 50 55 A W E -DE 26 57A 10 7,-2.0 7,-2.6 -2,-0.3 2,-0.4 -0.985 15.3-154.1-146.2 149.4 14.7 15.9 38.0 51 56 A V E + E 0 56A 12 -26,-2.1 2,-0.3 -2,-0.3 5,-0.2 -0.993 10.9 177.7-125.0 134.0 14.9 15.1 41.7 52 57 A F E > - E 0 55A 12 3,-2.9 3,-2.4 -2,-0.4 2,-0.6 -0.813 67.7 -62.5-134.8 93.1 11.9 13.7 43.7 53 58 A G T 3 S- 0 0 49 -2,-0.3 -51,-0.1 1,-0.3 135,-0.0 -0.549 122.6 -14.8 68.2-112.6 13.0 13.1 47.2 54 59 A T T 3 S+ 0 0 41 -2,-0.6 25,-2.7 -3,-0.1 -1,-0.3 0.524 119.3 97.4 -98.3 -7.2 15.7 10.4 46.8 55 60 A A E < +EF 52 78A 0 -3,-2.4 -3,-2.9 23,-0.2 2,-0.3 -0.598 52.1 177.7 -79.4 143.8 14.8 9.6 43.2 56 61 A I E -EF 51 77A 0 21,-2.7 21,-2.8 -2,-0.2 2,-0.4 -0.999 18.1-174.2-146.1 142.5 16.8 11.3 40.5 57 62 A S E +EF 50 76A 0 -7,-2.6 -7,-2.0 -2,-0.3 2,-0.3 -0.989 12.2 172.8-127.6 144.0 17.1 11.4 36.8 58 63 A F E -EF 49 75A 1 17,-2.1 17,-3.4 -2,-0.4 2,-0.3 -0.989 6.7-170.8-146.9 149.1 19.7 13.2 34.8 59 64 A S E -EF 48 74A 1 -11,-2.6 -11,-1.9 -2,-0.3 2,-0.4 -0.996 4.4-165.3-142.0 148.2 20.6 13.3 31.1 60 65 A T E -EF 47 73A 0 13,-2.5 13,-2.5 -2,-0.3 2,-0.5 -0.997 16.6-140.9-135.9 136.7 23.3 14.6 29.0 61 66 A K E - F 0 72A 19 -15,-0.6 2,-2.4 -2,-0.4 11,-0.2 -0.840 26.3-130.2 -87.9 127.3 23.7 15.2 25.2 62 67 A W E S+ 0 0 20 9,-2.8 7,-2.7 -2,-0.5 8,-0.7 -0.375 73.9 101.9 -82.9 63.4 27.2 14.3 24.2 63 68 A L E + F 0 68A 61 -2,-2.4 2,-0.2 5,-0.2 5,-0.2 -0.962 37.6 142.1-141.0 128.1 27.8 17.5 22.2 64 69 A N - 0 0 5 3,-1.1 178,-0.1 -2,-0.3 -19,-0.1 -0.814 65.4 -73.7-145.9-168.1 29.9 20.4 23.5 65 70 A S S S+ 0 0 14 -2,-0.2 177,-0.5 1,-0.2 285,-0.1 0.617 126.4 31.8 -70.9 -11.6 32.3 23.0 22.1 66 71 A V S S+ 0 0 58 1,-0.3 2,-0.3 175,-0.1 -1,-0.2 0.668 120.7 15.7-116.4 -24.6 35.1 20.5 21.9 67 72 A E - 0 0 72 -27,-0.1 -3,-1.1 -28,-0.0 2,-0.4 -0.978 48.9-155.9-160.4 141.7 33.8 17.1 21.1 68 73 A S E +F 63 0A 58 -2,-0.3 -5,-0.2 -5,-0.2 -28,-0.2 -0.934 11.6 178.3-115.6 138.9 30.7 15.1 19.8 69 74 A a E - 0 0 39 -7,-2.7 -6,-0.1 -2,-0.4 3,-0.1 0.168 44.5-127.8-119.3 12.4 29.8 11.5 20.5 70 75 A N E S+ 0 0 64 -8,-0.7 27,-2.8 1,-0.2 2,-0.3 0.790 73.9 82.7 57.0 37.1 26.5 11.8 18.5 71 76 A S E - G 0 96A 8 25,-0.3 -9,-2.8 -9,-0.3 2,-0.4 -0.932 66.0-127.3-161.1 173.3 24.4 10.4 21.4 72 77 A I E -FG 61 95A 0 23,-2.4 23,-2.4 -2,-0.3 2,-0.4 -1.000 14.4-155.8-136.8 135.7 22.5 11.0 24.6 73 78 A T E -FG 60 94A 8 -13,-2.5 -13,-2.5 -2,-0.4 2,-0.4 -0.919 6.9-168.2-113.4 140.0 22.8 9.2 28.0 74 79 A S E -FG 59 93A 1 19,-2.6 19,-2.4 -2,-0.4 2,-0.4 -0.996 3.4-161.5-127.1 129.5 20.1 9.2 30.6 75 80 A W E -FG 58 92A 5 -17,-3.4 -17,-2.1 -2,-0.4 2,-0.4 -0.900 4.1-170.2-109.7 138.1 20.5 7.9 34.1 76 81 A S E +FG 57 91A 0 15,-2.7 15,-2.6 -2,-0.4 2,-0.3 -0.993 32.2 122.0-122.0 133.4 17.7 6.9 36.5 77 82 A G E -FG 56 90A 0 -21,-2.8 -21,-2.7 -2,-0.4 2,-0.3 -0.930 44.9-108.7-169.5-169.2 18.6 6.3 40.1 78 83 A F E -FG 55 89A 2 11,-2.1 11,-2.6 -2,-0.3 2,-0.3 -0.995 22.9-118.6-147.5 148.0 18.3 6.9 43.7 79 84 A Y E - G 0 88A 22 -25,-2.7 2,-0.4 -2,-0.3 9,-0.2 -0.664 31.1-177.4 -83.0 136.3 20.1 8.5 46.6 80 85 A I E - G 0 87A 33 7,-2.6 7,-2.3 -2,-0.3 2,-0.6 -0.997 19.1-146.3-133.7 141.9 21.1 6.3 49.5 81 86 A N E + G 0 86A 38 -2,-0.4 2,-0.4 5,-0.2 5,-0.2 -0.941 28.9 163.7-103.3 121.7 22.9 7.1 52.8 82 87 A T - 0 0 95 3,-2.8 -2,-0.1 -2,-0.6 1057,-0.0 -0.975 66.2 -2.5-143.1 127.7 25.1 4.3 54.0 83 88 A G S S- 0 0 81 -2,-0.4 3,-0.1 1,-0.2 -1,-0.0 0.640 128.5 -60.2 71.1 18.0 27.9 4.5 56.6 84 89 A G S S+ 0 0 44 1,-0.3 2,-0.2 1054,-0.1 -1,-0.2 0.978 117.2 107.9 64.8 68.6 27.2 8.3 56.9 85 90 A Q - 0 0 81 2,-0.0 -3,-2.8 28,-0.0 -1,-0.3 -0.789 65.7-127.0-173.8 131.7 28.0 8.8 53.2 86 91 A G E +G 81 0A 1 -2,-0.2 28,-2.0 -5,-0.2 2,-0.3 -0.676 28.3 175.7 -89.6 142.9 25.7 9.6 50.3 87 92 A K E -GH 80 113A 75 -7,-2.3 -7,-2.6 -2,-0.3 2,-0.5 -0.963 22.4-145.2-137.4 153.2 25.7 7.6 47.1 88 93 A I E -GH 79 112A 0 24,-2.2 24,-3.0 -2,-0.3 2,-0.5 -0.991 14.5-161.3-118.7 123.5 23.6 7.7 44.0 89 94 A S E +GH 78 111A 13 -11,-2.6 -11,-2.1 -2,-0.5 2,-0.3 -0.900 21.9 174.5-107.5 127.2 22.9 4.2 42.4 90 95 A T E -GH 77 110A 0 20,-2.4 20,-1.1 -2,-0.5 2,-0.4 -0.899 34.6-149.5-133.9 158.6 21.8 4.4 38.8 91 96 A L E -GH 76 109A 20 -15,-2.6 -15,-2.7 -2,-0.3 2,-0.3 -0.992 30.0-159.8-119.6 138.4 20.9 2.5 35.6 92 97 A W E -GH 75 108A 31 16,-2.8 16,-1.8 -2,-0.4 2,-0.4 -0.825 13.8-158.1-120.2 156.5 21.7 4.3 32.4 93 98 A Q E -GH 74 107A 2 -19,-2.4 -19,-2.6 -2,-0.3 2,-0.5 -0.997 7.6-159.5-129.1 138.2 20.5 4.1 28.8 94 99 A L E -GH 73 106A 20 12,-2.9 12,-2.3 -2,-0.4 2,-0.5 -0.976 6.4-169.7-120.9 118.3 22.6 5.5 25.9 95 100 A V E -G 72 0A 0 -23,-2.4 -23,-2.4 -2,-0.5 2,-0.4 -0.944 11.6-146.6-111.4 133.7 20.8 6.2 22.6 96 101 A V E > -G 71 0A 60 -2,-0.5 3,-1.6 -25,-0.2 -25,-0.3 -0.772 25.0-104.5-102.1 136.8 22.8 7.0 19.4 97 102 A N T 3 S+ 0 0 41 -27,-2.8 73,-0.1 -2,-0.4 -1,-0.1 -0.317 107.5 29.2 -53.8 133.7 21.8 9.4 16.7 98 103 A G T 3 S+ 0 0 56 1,-0.2 -1,-0.2 98,-0.1 97,-0.1 0.466 84.1 154.3 90.8 4.2 20.6 7.5 13.6 99 104 A S < - 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