==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER BIOTIN-BINDING PROTEIN 12-JUL-97 1SWG . COMPND 2 MOLECULE: CIRCULARLY PERMUTED CORE-STREPTAVIDIN E51/A46; . SOURCE 2 ORGANISM_SCIENTIFIC: STREPTOMYCES AVIDINII; . AUTHOR S.FREITAG,V.CHU,I.LE TRONG,P.S.STAYTON,R.E.STENKAMP . 463 7 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 18920.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 346 74.7 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 . 252 54.4 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 . 8 1.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 0.9 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-2), SAME NUMBER PER 100 RESIDUES . 1 0.2 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 . 54 11.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 30 6.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 6 1.3 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 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 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 . 2 2 1 5 4 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 52 A S 0 0 67 0, 0.0 111,-0.6 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0 -94.3 3.0 12.0 15.6 2 53 A R E -A 111 0A 130 109,-0.2 2,-0.3 107,-0.0 109,-0.2 -0.666 360.0-167.2 -99.7 146.7 1.7 12.8 19.1 3 54 A Y E -A 110 0A 9 107,-2.1 107,-3.4 -2,-0.3 2,-0.2 -0.965 27.2-105.9-133.1 148.5 3.7 12.5 22.3 4 55 A V E -A 109 0A 68 25,-0.4 23,-0.6 -2,-0.3 2,-0.4 -0.523 36.0-168.3 -71.5 139.2 2.6 12.6 26.0 5 56 A L E -AB 108 26A 2 103,-2.4 103,-1.4 -2,-0.2 2,-0.3 -0.937 8.0-179.4-123.3 154.4 3.4 15.8 27.9 6 57 A T E +AB 107 25A 23 19,-1.9 19,-2.6 -2,-0.4 2,-0.2 -0.993 16.0 137.1-148.3 149.5 3.2 16.5 31.5 7 58 A G E -AB 106 24A 0 99,-2.5 99,-2.3 -2,-0.3 2,-0.3 -0.853 37.1-107.8-163.1-163.9 4.0 19.6 33.6 8 59 A R E -AB 105 23A 27 15,-2.0 15,-2.3 97,-0.3 2,-0.3 -0.964 20.7-172.2-144.7 154.8 3.2 22.1 36.3 9 60 A Y E - B 0 22A 30 95,-1.9 2,-0.8 -2,-0.3 13,-0.2 -0.969 39.1 -94.3-147.3 159.4 1.9 25.6 36.5 10 61 A D - 0 0 1 11,-2.2 94,-0.1 -2,-0.3 142,-0.1 -0.652 33.8-169.4 -76.5 107.4 1.4 28.2 39.2 11 62 A S S S+ 0 0 40 -2,-0.8 -1,-0.2 1,-0.3 93,-0.1 0.500 82.0 43.7 -82.4 -1.3 -2.2 27.8 40.2 12 63 A A S S+ 0 0 46 92,-0.0 -1,-0.3 0, 0.0 138,-0.1 -0.486 82.3 179.0-140.7 66.2 -2.2 31.0 42.3 13 64 A P - 0 0 45 0, 0.0 7,-0.1 0, 0.0 6,-0.0 -0.103 38.0 -85.4 -67.8 163.4 -0.4 33.6 40.2 14 65 A A - 0 0 28 5,-0.3 3,-0.2 1,-0.1 163,-0.0 -0.233 27.5-145.5 -61.5 159.7 0.2 37.2 41.2 15 66 A T S S+ 0 0 147 1,-0.1 -1,-0.1 -3,-0.1 4,-0.0 0.175 77.1 97.5-114.2 13.1 -2.7 39.5 40.4 16 67 A D S S- 0 0 106 3,-0.1 -1,-0.1 1,-0.0 3,-0.1 0.193 113.3 -86.2 -87.8 15.0 -0.4 42.5 39.6 17 68 A G S S+ 0 0 50 1,-0.3 162,-0.2 -3,-0.2 160,-0.1 0.356 87.0 138.4 95.2 -4.2 -0.5 41.8 35.8 18 69 A S - 0 0 24 160,-0.1 -1,-0.3 158,-0.1 160,-0.3 -0.342 54.3-111.1 -69.8 155.4 2.4 39.3 35.9 19 70 A G - 0 0 7 158,-1.8 2,-0.6 156,-0.1 -5,-0.3 -0.199 33.0 -96.7 -79.9 177.3 2.1 36.2 33.8 20 71 A T E - C 0 45A 17 25,-2.7 25,-2.5 -7,-0.1 2,-0.1 -0.880 34.8-130.1-101.1 116.0 1.6 32.7 35.1 21 72 A A E + C 0 44A 0 -2,-0.6 -11,-2.2 23,-0.2 2,-0.3 -0.377 41.2 153.7 -67.2 137.9 4.8 30.6 35.5 22 73 A L E -BC 9 43A 0 21,-2.8 21,-3.0 -13,-0.2 2,-0.3 -0.981 20.7-175.7-156.1 167.6 4.7 27.1 33.9 23 74 A G E -BC 8 42A 0 -15,-2.3 -15,-2.0 -2,-0.3 2,-0.3 -0.969 2.7-176.1-162.2 154.9 6.7 24.3 32.4 24 75 A W E -BC 7 41A 0 17,-1.9 17,-2.7 -2,-0.3 2,-0.4 -0.985 13.7-137.9-154.2 160.5 6.2 20.9 30.7 25 76 A T E -BC 6 40A 0 -19,-2.6 -19,-1.9 -2,-0.3 2,-0.4 -0.967 6.6-168.2-123.2 138.4 8.2 18.0 29.3 26 77 A V E -BC 5 39A 0 13,-2.2 13,-2.7 -2,-0.4 2,-0.6 -0.997 9.7-157.5-116.6 124.7 7.9 15.8 26.2 27 78 A A E - C 0 38A 5 -23,-0.6 2,-2.1 -2,-0.4 11,-0.3 -0.936 26.6-129.0 -94.7 126.1 10.0 12.7 26.0 28 79 A W E S+ 0 0 28 9,-2.8 7,-2.5 -2,-0.6 2,-0.4 -0.279 73.2 104.9 -80.5 55.4 10.2 12.0 22.3 29 80 A K E + C 0 34A 63 -2,-2.1 -25,-0.4 5,-0.2 5,-0.2 -0.997 34.2 151.6-131.7 129.4 9.1 8.4 22.5 30 81 A N - 0 0 30 3,-3.0 -27,-0.1 -2,-0.4 -2,-0.0 -0.702 63.9 -75.4-135.6-165.4 5.7 7.1 21.5 31 82 A N S S+ 0 0 143 -2,-0.2 3,-0.1 1,-0.2 -2,-0.0 0.792 128.6 35.2 -64.1 -30.0 4.5 3.7 20.2 32 83 A Y S S+ 0 0 187 1,-0.2 2,-0.3 0, 0.0 -1,-0.2 0.640 121.7 20.0-103.5 -20.2 5.9 4.3 16.8 33 84 A R - 0 0 148 -3,-0.0 -3,-3.0 0, 0.0 2,-0.3 -0.996 47.9-167.9-151.9 158.0 9.1 6.3 17.1 34 85 A N E -C 29 0A 44 -2,-0.3 -5,-0.2 -5,-0.2 -6,-0.0 -0.878 7.3-178.5-152.0 110.9 11.7 7.2 19.7 35 86 A A E - 0 0 64 -7,-2.5 27,-0.2 -2,-0.3 -6,-0.1 0.358 45.2-124.9 -90.0 3.8 14.3 10.0 19.1 36 87 A H E S+ 0 0 56 -8,-0.4 26,-2.9 1,-0.2 2,-0.3 0.961 75.7 98.1 48.4 63.1 15.9 9.2 22.5 37 88 A S E - D 0 61A 7 24,-0.3 -9,-2.8 98,-0.1 2,-0.3 -0.980 56.6-147.8-166.2 164.7 15.5 12.8 23.6 38 89 A A E -CD 27 60A 0 22,-2.2 22,-2.4 -2,-0.3 2,-0.4 -0.993 7.0-151.3-146.2 139.2 13.3 15.1 25.7 39 90 A T E -CD 26 59A 5 -13,-2.7 -13,-2.2 -2,-0.3 2,-0.5 -0.908 7.0-163.1-109.9 140.4 12.3 18.7 25.4 40 91 A T E -CD 25 58A 0 18,-2.4 18,-2.0 -2,-0.4 2,-0.5 -0.987 4.1-157.5-119.7 133.5 11.4 20.9 28.3 41 92 A W E -CD 24 57A 6 -17,-2.7 -17,-1.9 -2,-0.5 2,-0.4 -0.933 9.2-174.0-105.4 126.2 9.5 24.2 27.9 42 93 A S E +CD 23 56A 0 14,-3.1 14,-2.3 -2,-0.5 2,-0.3 -0.976 33.7 97.6-117.3 129.5 9.9 26.8 30.7 43 94 A G E -CD 22 55A 2 -21,-3.0 -21,-2.8 -2,-0.4 2,-0.4 -0.889 58.0 -81.9-173.7-155.7 7.8 29.9 30.4 44 95 A Q E -CD 21 54A 8 10,-2.0 10,-2.4 -2,-0.3 2,-0.4 -1.000 22.8-129.4-143.5 146.2 4.7 31.9 31.3 45 96 A Y E -CD 20 53A 39 -25,-2.5 -25,-2.7 -2,-0.4 2,-0.5 -0.804 19.2-166.2 -87.1 131.6 1.2 32.2 30.3 46 97 A V E - D 0 52A 46 6,-3.3 6,-2.2 -2,-0.4 -27,-0.1 -0.948 11.2-157.5-120.5 104.8 -0.0 35.7 29.5 47 98 A G + 0 0 41 -2,-0.5 2,-0.3 4,-0.2 3,-0.1 -0.236 37.8 96.9 -78.6 171.3 -3.8 35.9 29.3 48 99 A G S > S- 0 0 62 1,-0.2 3,-0.6 -2,-0.0 -2,-0.0 -0.953 89.4 -35.5 146.6-168.0 -5.7 38.6 27.4 49 100 A A T 3 S+ 0 0 120 1,-0.3 2,-0.5 -2,-0.3 -1,-0.2 0.879 142.7 27.5 -52.8 -44.9 -7.4 39.3 24.1 50 101 A E T 3 S- 0 0 122 -3,-0.1 -1,-0.3 30,-0.0 -4,-0.1 -0.818 92.9-151.2-122.0 88.2 -4.7 37.2 22.5 51 102 A A < - 0 0 14 -3,-0.6 30,-0.6 -2,-0.5 2,-0.3 -0.220 17.5-170.9 -59.4 146.3 -3.5 34.8 25.1 52 103 A R E -DE 46 80A 76 -6,-2.2 -6,-3.3 28,-0.1 2,-0.5 -0.993 26.8-155.6-141.7 146.6 0.1 33.7 24.8 53 104 A I E -DE 45 79A 0 26,-1.8 26,-3.2 -2,-0.3 2,-0.5 -0.984 22.1-164.3-121.2 114.3 2.5 31.1 26.3 54 105 A N E +DE 44 78A 62 -10,-2.4 -10,-2.0 -2,-0.5 2,-0.3 -0.897 18.5 174.4-101.9 123.7 6.0 32.5 25.9 55 106 A T E -DE 43 77A 5 22,-2.6 22,-0.7 -2,-0.5 2,-0.3 -0.907 35.2-155.4-134.7 159.4 8.7 29.9 26.4 56 107 A Q E -DE 42 76A 9 -14,-2.3 -14,-3.1 -2,-0.3 2,-0.3 -0.900 31.1-162.1-118.6 147.0 12.3 29.0 26.3 57 108 A W E -DE 41 75A 11 18,-2.4 18,-2.3 -2,-0.3 2,-0.4 -0.952 18.7-152.8-137.2 156.7 13.1 25.3 25.8 58 109 A L E -DE 40 74A 0 -18,-2.0 -18,-2.4 -2,-0.3 2,-0.6 -0.999 9.5-163.2-127.8 123.3 16.0 22.8 26.2 59 110 A L E -DE 39 73A 17 14,-2.8 14,-3.1 -2,-0.4 2,-0.5 -0.951 9.7-171.8-112.6 109.3 16.1 19.7 24.1 60 111 A T E -DE 38 72A 0 -22,-2.4 -22,-2.2 -2,-0.6 2,-0.3 -0.885 4.8-160.8-104.3 125.1 18.5 17.1 25.5 61 112 A S E -D 37 0A 45 10,-2.7 2,-0.4 -2,-0.5 -24,-0.3 -0.790 31.5-104.5 -97.0 148.0 19.3 14.0 23.4 62 113 A G + 0 0 14 -26,-2.9 2,-0.3 -2,-0.3 70,-0.1 -0.602 56.0 166.1 -69.6 131.2 20.7 10.9 25.0 63 114 A T - 0 0 16 -2,-0.4 70,-2.2 68,-0.1 2,-0.1 -0.882 41.5 -94.8-135.7 164.8 24.4 10.8 24.1 64 115 A T > - 0 0 41 -2,-0.3 3,-1.1 68,-0.2 4,-0.4 -0.452 46.5-106.1 -74.6 163.5 27.5 9.1 25.1 65 116 A E G > S+ 0 0 124 1,-0.3 3,-1.2 66,-0.2 4,-0.4 0.869 123.0 61.8 -59.7 -35.2 29.6 11.0 27.7 66 117 A A G 3 S+ 0 0 79 1,-0.3 -1,-0.3 2,-0.1 3,-0.2 0.801 110.9 37.1 -61.8 -26.8 31.9 11.8 24.8 67 118 A N G X S+ 0 0 65 -3,-1.1 3,-1.8 1,-0.2 -1,-0.3 0.356 84.3 105.6-108.6 8.7 29.1 13.7 23.0 68 119 A A G X + 0 0 31 -3,-1.2 3,-1.7 -4,-0.4 4,-0.3 0.773 67.5 69.4 -62.0 -26.7 27.5 15.2 26.1 69 120 A W G 3 S+ 0 0 97 -4,-0.4 -1,-0.3 1,-0.3 3,-0.2 0.781 109.0 36.4 -63.1 -23.1 28.9 18.7 25.3 70 121 A K G < S+ 0 0 101 -3,-1.8 -1,-0.3 1,-0.1 -2,-0.2 0.019 87.5 105.1-119.4 31.8 26.6 18.8 22.3 71 122 A S < + 0 0 11 -3,-1.7 -10,-2.7 1,-0.1 2,-0.5 0.657 68.6 68.0 -80.2 -19.8 23.6 17.0 23.9 72 123 A T E -E 60 0A 2 358,-0.4 358,-2.4 -4,-0.3 2,-0.3 -0.889 55.1-168.0-124.5 120.4 21.5 20.1 24.4 73 124 A L E -EF 59 429A 30 -14,-3.1 -14,-2.8 -2,-0.5 2,-0.4 -0.690 12.5-157.8 -91.2 147.7 19.7 22.4 22.0 74 125 A V E +E 58 0A 3 354,-2.5 354,-0.4 -2,-0.3 2,-0.3 -0.951 25.6 135.8-123.4 144.3 18.2 25.7 23.3 75 126 A G E -E 57 0A 3 -18,-2.3 -18,-2.4 -2,-0.4 2,-0.4 -0.923 40.5-109.6-163.2-167.1 15.4 27.7 21.7 76 127 A H E -E 56 0A 62 -2,-0.3 2,-0.4 -20,-0.3 -20,-0.2 -0.983 19.7-171.4-146.7 131.4 12.2 29.7 22.2 77 128 A D E -E 55 0A 6 -22,-0.7 -22,-2.6 -2,-0.4 2,-0.5 -0.954 7.8-158.7-122.0 141.0 8.6 29.0 21.3 78 129 A T E -E 54 0A 50 -2,-0.4 13,-0.7 -24,-0.2 2,-0.4 -0.989 17.0-151.3-118.3 126.2 5.7 31.3 21.5 79 130 A F E -EG 53 90A 0 -26,-3.2 -26,-1.8 -2,-0.5 2,-0.3 -0.859 10.3-166.3-108.1 140.6 2.2 29.7 21.6 80 131 A T E EG 52 89A 24 9,-2.6 9,-2.9 -2,-0.4 -28,-0.1 -0.891 360.0 360.0-115.2 141.9 -1.1 31.0 20.4 81 132 A K 0 0 107 -30,-0.6 7,-0.3 -2,-0.3 5,-0.0 -0.566 360.0 360.0 -82.9 360.0 -4.4 29.4 21.3 82 ! 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 83 16 A G 0 0 65 0, 0.0 -32,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -49.6 -7.2 30.0 30.4 84 17 A I + 0 0 10 -39,-0.1 14,-0.2 2,-0.0 2,-0.0 0.890 360.0 92.4 -69.7 -41.6 -4.2 27.6 30.0 85 18 A T + 0 0 62 15,-0.1 2,-0.3 12,-0.1 14,-0.2 -0.333 68.9 60.0 -57.9 130.6 -6.4 24.7 29.1 86 19 A G E S- H 0 98A 23 12,-2.4 12,-3.2 2,-0.0 2,-0.5 -0.984 88.6 -50.6 154.9-161.0 -6.9 24.3 25.4 87 20 A T E - 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