==== 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 3SZH . COMPND 2 MOLECULE: AVIDIN/STREPTAVIDIN; . SOURCE 2 ORGANISM_SCIENTIFIC: SHEWANELLA DENITRIFICANS; . AUTHOR O.LIVNAH,A.MEIR . 697 13 6 6 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 24892.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 505 72.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 10 1.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 372 53.4 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 . 12 1.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 16 2.3 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 . 67 9.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 46 6.6 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+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 . 5 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 2 4 6 0 16 2 12 0 2 2 2 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 6 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 5 A Q 0 0 162 0, 0.0 2,-0.3 0, 0.0 81,-0.1 0.000 360.0 360.0 360.0 23.1 -25.6 1.8 -13.3 2 6 A E - 0 0 130 79,-0.0 2,-0.3 84,-0.0 53,-0.1 -0.934 360.0 -61.3-166.5 170.8 -22.9 -0.8 -12.4 3 7 A L + 0 0 17 51,-0.3 2,-0.3 -2,-0.3 51,-0.1 -0.555 64.3 175.0 -66.0 128.2 -19.3 -1.8 -13.4 4 8 A T - 0 0 51 -2,-0.3 3,-0.2 17,-0.0 15,-0.1 -0.936 34.6-101.4-136.1 157.0 -19.4 -2.8 -17.1 5 9 A A S S+ 0 0 34 -2,-0.3 15,-0.2 1,-0.2 16,-0.1 -0.370 103.7 34.8 -65.4 153.3 -17.1 -3.8 -19.9 6 10 A M S S+ 0 0 51 13,-1.2 2,-0.3 1,-0.2 -1,-0.2 0.981 90.1 133.7 61.2 59.7 -16.3 -1.1 -22.4 7 11 A S E -A 19 0A 4 12,-1.5 12,-2.7 -3,-0.2 2,-0.4 -0.953 43.7-146.1-136.7 156.9 -16.4 1.8 -19.9 8 12 A A E -A 18 0A 0 -2,-0.3 107,-2.8 533,-0.2 108,-1.5 -0.991 12.3-174.8-129.6 140.7 -14.1 4.8 -19.2 9 13 A W E -AB 17 114A 0 8,-2.1 8,-2.7 -2,-0.4 2,-0.4 -0.998 8.0-157.0-140.5 131.7 -13.3 6.4 -15.8 10 14 A V E -AB 16 113A 40 103,-2.6 103,-3.0 -2,-0.4 6,-0.2 -0.933 9.4-149.2-119.0 131.3 -11.3 9.5 -15.2 11 15 A N > - 0 0 8 4,-2.6 3,-2.0 -2,-0.4 101,-0.2 -0.250 39.5 -86.3 -89.4-176.4 -9.6 10.4 -11.9 12 16 A Q T 3 S+ 0 0 102 99,-0.5 100,-0.1 1,-0.3 -1,-0.1 0.637 127.2 53.7 -67.3 -16.0 -8.8 13.7 -10.2 13 17 A D T 3 S- 0 0 81 2,-0.1 24,-0.3 23,-0.1 -1,-0.3 0.469 119.9-105.7 -90.9 -5.7 -5.5 14.0 -12.2 14 18 A G S < S+ 0 0 30 -3,-2.0 2,-0.2 1,-0.3 -2,-0.1 0.497 73.2 143.7 87.7 8.1 -7.2 13.5 -15.6 15 19 A S - 0 0 0 19,-0.1 -4,-2.6 20,-0.0 2,-0.5 -0.581 39.0-142.1 -82.0 143.8 -5.9 9.9 -15.9 16 20 A T E -AC 10 33A 11 17,-2.2 17,-2.7 -6,-0.2 2,-0.6 -0.925 12.7-157.8-117.1 131.1 -8.3 7.4 -17.6 17 21 A L E -AC 9 32A 0 -8,-2.7 -8,-2.1 -2,-0.5 2,-0.6 -0.911 12.8-162.5 -94.7 122.3 -9.0 3.7 -16.9 18 22 A Y E -AC 8 31A 12 13,-3.2 13,-2.2 -2,-0.6 2,-0.7 -0.944 5.8-154.5-104.1 110.3 -10.5 2.0 -20.0 19 23 A I E +AC 7 30A 0 -12,-2.7 -12,-1.5 -2,-0.6 -13,-1.2 -0.809 18.6 173.7 -85.9 116.2 -12.2 -1.2 -19.0 20 24 A N E + 0 0 24 9,-2.0 2,-0.3 -2,-0.7 10,-0.2 0.850 58.7 5.3 -91.4 -40.9 -12.1 -3.4 -22.1 21 25 A S E - C 0 29A 21 8,-1.8 8,-2.1 -16,-0.1 2,-0.4 -0.998 42.1-172.3-145.6 146.9 -13.5 -6.8 -20.9 22 26 A I E - C 0 28A 44 -2,-0.3 6,-0.2 6,-0.2 -17,-0.2 -0.938 30.6-151.9-133.7 110.1 -15.0 -8.4 -17.8 23 27 A N > - 0 0 69 4,-2.4 3,-1.9 -2,-0.4 -2,-0.0 -0.035 35.3 -83.5 -79.6-176.8 -15.3 -12.1 -18.4 24 28 A A T 3 S+ 0 0 98 1,-0.3 -1,-0.1 2,-0.1 354,-0.0 0.767 131.8 46.8 -61.3 -25.2 -17.7 -14.6 -17.0 25 29 A Q T 3 S- 0 0 34 2,-0.1 -1,-0.3 28,-0.0 27,-0.1 0.436 121.6-105.6 -91.7 -4.4 -15.6 -15.0 -13.9 26 30 A G < + 0 0 7 -3,-1.9 26,-2.3 1,-0.3 2,-0.3 0.565 66.1 154.5 87.8 11.0 -15.2 -11.2 -13.5 27 31 A E E - D 0 51A 61 24,-0.2 -4,-2.4 1,-0.0 2,-0.3 -0.586 32.3-144.0 -73.2 136.3 -11.5 -11.1 -14.7 28 32 A L E -CD 22 50A 0 22,-2.3 22,-1.0 -2,-0.3 2,-0.3 -0.777 21.9-178.5-108.2 142.4 -10.8 -7.7 -16.1 29 33 A T E +CD 21 49A 64 -8,-2.1 -9,-2.0 -2,-0.3 -8,-1.8 -0.963 25.4 123.2-126.9 154.6 -8.7 -6.4 -18.9 30 34 A G E -CD 19 48A 6 18,-1.7 18,-2.5 -2,-0.3 2,-0.3 -0.965 47.4 -98.1-175.8-165.9 -8.1 -2.8 -19.9 31 35 A S E -CD 18 47A 8 -13,-2.2 -13,-3.2 -2,-0.3 2,-0.4 -0.979 21.5-151.7-136.0 151.9 -5.8 0.1 -20.6 32 36 A Y E -CD 17 46A 7 14,-2.3 14,-2.3 -2,-0.3 2,-0.5 -0.984 2.9-164.2-127.0 133.6 -4.7 3.0 -18.4 33 37 A I E -C 16 0A 6 -17,-2.7 -17,-2.2 -2,-0.4 2,-0.4 -0.966 13.0-150.8-120.8 111.6 -3.5 6.4 -19.6 34 38 A N B +i 42 0B 19 -2,-0.5 9,-2.4 7,-0.5 10,-0.2 -0.646 24.4 165.8 -80.5 131.7 -1.7 8.4 -17.1 35 39 A R + 0 0 73 -2,-0.4 2,-0.6 7,-0.2 -1,-0.1 0.114 20.8 141.6-134.3 22.4 -2.1 12.2 -17.5 36 40 A A > - 0 0 8 4,-0.1 3,-2.0 1,-0.1 -22,-0.1 -0.560 59.3-112.6 -69.6 115.3 -0.8 13.5 -14.1 37 41 A A T 3 S+ 0 0 89 -2,-0.6 3,-0.1 -24,-0.3 -1,-0.1 -0.160 96.5 19.2 -54.2 135.5 1.1 16.7 -15.0 38 42 A G T 3 S+ 0 0 84 1,-0.3 -1,-0.3 -3,-0.0 2,-0.2 0.201 101.5 111.2 89.6 -13.7 4.9 16.5 -14.4 39 43 A F < - 0 0 144 -3,-2.0 -1,-0.3 1,-0.1 3,-0.2 -0.520 62.1-126.4 -94.6 157.4 5.0 12.7 -14.4 40 44 A A S S+ 0 0 54 1,-0.2 -4,-0.1 -2,-0.2 -1,-0.1 -0.199 86.1 54.1 -85.5-176.2 6.5 10.3 -16.8 41 45 A a S S+ 0 0 2 1,-0.2 -7,-0.5 28,-0.1 2,-0.3 0.883 82.4 151.7 51.3 45.0 4.7 7.4 -18.5 42 46 A Q B +i 34 0B 45 -3,-0.2 -7,-0.2 1,-0.2 -1,-0.2 -0.732 46.2 12.6-102.4 152.8 2.0 9.8 -19.7 43 47 A N S S+ 0 0 96 -9,-2.4 -1,-0.2 -2,-0.3 -8,-0.1 0.589 99.1 94.2 68.2 15.0 -0.3 9.8 -22.7 44 48 A S S S- 0 0 3 -3,-0.2 -10,-0.5 -10,-0.2 2,-0.3 -0.982 80.5 -99.1-136.6 151.1 0.2 6.2 -23.8 45 49 A P - 0 0 5 0, 0.0 21,-0.3 0, 0.0 -12,-0.2 -0.499 30.2-166.8 -77.2 131.7 -1.8 3.1 -23.0 46 50 A Y E -D 32 0A 0 -14,-2.3 -14,-2.3 -2,-0.3 19,-0.1 -0.960 30.0-111.7-109.8 125.9 -0.5 0.7 -20.3 47 51 A P E -D 31 0A 34 0, 0.0 15,-0.6 0, 0.0 2,-0.4 -0.294 34.0-159.9 -58.9 143.9 -2.2 -2.7 -20.1 48 52 A V E +DE 30 61A 6 -18,-2.5 -18,-1.7 13,-0.2 2,-0.3 -0.951 13.3 178.6-125.0 141.4 -4.4 -3.4 -17.1 49 53 A N E +DE 29 60A 2 11,-2.0 11,-2.5 -2,-0.4 2,-0.3 -0.833 23.1 113.7-127.9 174.8 -5.6 -6.6 -15.4 50 54 A G E -DE 28 59A 1 -22,-1.0 -22,-2.3 -2,-0.3 2,-0.3 -0.994 49.1 -81.6 160.5-158.7 -7.7 -7.2 -12.3 51 55 A W E -DE 27 58A 11 7,-2.0 7,-2.6 -2,-0.3 2,-0.4 -0.989 15.9-153.4-145.0 148.2 -11.0 -8.5 -11.0 52 56 A V E + E 0 57A 13 -26,-2.3 2,-0.3 -2,-0.3 5,-0.2 -0.990 12.3 176.3-122.3 136.8 -14.6 -7.3 -10.5 53 57 A F E > - E 0 56A 19 3,-2.9 3,-2.4 -2,-0.4 2,-0.6 -0.804 66.7 -62.5-140.1 89.6 -16.8 -8.8 -7.8 54 58 A G T 3 S- 0 0 47 -2,-0.3 -51,-0.3 1,-0.3 137,-0.0 -0.564 121.8 -15.8 71.0-114.7 -20.2 -7.1 -7.7 55 59 A T T 3 S+ 0 0 41 -2,-0.6 25,-2.5 -3,-0.1 -1,-0.3 0.485 120.4 96.8 -98.7 -5.8 -19.3 -3.5 -6.9 56 60 A A E < +EF 53 79A 0 -3,-2.4 -3,-2.9 23,-0.2 2,-0.3 -0.604 52.2 177.0 -81.4 146.9 -15.7 -4.4 -5.7 57 61 A I E -EF 52 78A 0 21,-2.5 21,-2.8 -2,-0.2 2,-0.4 -0.998 18.2-172.9-149.9 141.2 -12.9 -4.0 -8.2 58 62 A S E +EF 51 77A 1 -7,-2.6 -7,-2.0 -2,-0.3 2,-0.3 -0.989 12.9 172.7-126.3 144.2 -9.1 -4.4 -8.3 59 63 A F E -EF 50 76A 2 17,-2.0 17,-3.3 -2,-0.4 2,-0.3 -0.990 6.7-171.8-148.1 152.3 -6.9 -3.4 -11.2 60 64 A S E -EF 49 75A 8 -11,-2.5 -11,-2.0 -2,-0.3 2,-0.4 -0.996 4.5-165.5-147.0 144.6 -3.2 -3.2 -11.7 61 65 A T E -EF 48 74A 0 13,-2.5 13,-2.4 -2,-0.3 2,-0.5 -0.997 15.9-141.1-134.5 136.5 -0.8 -1.9 -14.3 62 66 A K E - F 0 73A 19 -15,-0.6 2,-2.2 -2,-0.4 11,-0.2 -0.849 26.5-128.0 -89.0 130.2 2.9 -2.4 -14.9 63 67 A W E S+ 0 0 19 9,-2.7 7,-2.6 -2,-0.5 8,-0.6 -0.358 76.6 97.6 -83.7 64.3 4.6 0.8 -16.0 64 68 A L E + F 0 69A 58 -2,-2.2 2,-0.2 5,-0.2 5,-0.2 -0.945 41.3 140.6-146.3 124.2 6.3 -0.6 -19.1 65 69 A N - 0 0 11 3,-1.2 -19,-0.1 -2,-0.3 418,-0.1 -0.764 66.8 -69.3-143.4-164.3 4.8 -0.3 -22.6 66 70 A S S S+ 0 0 15 -21,-0.3 417,-0.6 -2,-0.2 3,-0.1 0.628 127.8 40.9 -69.9 -14.2 6.0 0.3 -26.2 67 71 A V S S- 0 0 63 1,-0.3 2,-0.3 -22,-0.2 -1,-0.2 0.872 120.4 -24.6-100.2 -48.9 6.8 3.9 -25.4 68 72 A E - 0 0 70 -27,-0.0 -3,-1.2 -28,-0.0 2,-0.4 -0.989 47.0-122.7-165.5 166.7 8.5 4.0 -22.0 69 73 A S E -F 64 0A 57 -2,-0.3 -5,-0.2 -5,-0.2 -28,-0.1 -0.924 10.5-176.3-121.1 140.5 9.2 2.5 -18.5 70 74 A a E - 0 0 40 -7,-2.6 -6,-0.1 -2,-0.4 3,-0.1 0.068 46.3-124.2-118.4 17.6 8.7 3.9 -15.0 71 75 A N E S+ 0 0 67 -8,-0.6 26,-2.6 1,-0.1 2,-0.3 0.757 75.3 80.6 60.7 32.8 10.2 0.8 -13.3 72 76 A S E - G 0 96A 9 24,-0.3 -9,-2.7 -9,-0.2 2,-0.4 -0.927 65.9-126.1-160.9 173.3 7.2 0.1 -11.1 73 77 A I E -FG 62 95A 0 22,-2.2 22,-2.4 -2,-0.3 2,-0.4 -1.000 15.3-155.8-136.5 132.9 3.7 -1.3 -10.7 74 78 A T E -FG 61 94A 9 -13,-2.4 -13,-2.5 -2,-0.4 2,-0.4 -0.915 8.6-169.6-110.3 137.0 0.5 0.4 -9.4 75 79 A S E -FG 60 93A 5 18,-2.6 18,-2.3 -2,-0.4 2,-0.4 -0.999 3.0-162.3-125.2 132.5 -2.4 -1.6 -7.9 76 80 A W E -FG 59 92A 5 -17,-3.3 -17,-2.0 -2,-0.4 2,-0.4 -0.898 4.9-171.2-112.1 138.6 -5.8 -0.1 -7.1 77 81 A S E +FG 58 91A 0 14,-2.5 14,-2.5 -2,-0.4 2,-0.3 -0.997 32.6 119.1-123.0 131.1 -8.4 -1.6 -4.8 78 82 A G E -FG 57 90A 0 -21,-2.8 -21,-2.5 -2,-0.4 2,-0.3 -0.926 44.9-108.8-168.8-165.7 -11.8 0.0 -4.7 79 83 A F E -FG 56 89A 0 10,-1.9 10,-2.6 -2,-0.3 2,-0.3 -0.996 25.1-112.2-149.0 150.8 -15.6 0.0 -5.1 80 84 A Y E + G 0 88A 16 -25,-2.5 2,-0.3 -2,-0.3 8,-0.2 -0.643 34.2 177.6 -82.8 132.0 -18.3 1.4 -7.4 81 85 A I E G 0 87A 67 6,-2.6 6,-2.5 -2,-0.3 138,-0.1 -0.978 360.0 360.0-132.6 153.4 -20.7 3.9 -5.9 82 86 A N 0 0 92 -2,-0.3 4,-0.2 4,-0.2 -2,-0.0 -0.988 360.0 360.0-132.4 360.0 -23.5 5.8 -7.6 83 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 84 89 A G 0 0 95 0, 0.0 2,-0.6 0, 0.0 -2,-0.0 0.000 360.0 360.0 360.0 -21.1 -26.6 9.8 -10.8 85 90 A Q - 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