==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=27-SEP-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 28-MAY-13 4BPS . COMPND 2 MOLECULE: FKBO; . SOURCE 2 ORGANISM_SCIENTIFIC: STREPTOMYCES HYGROSCOPICUS SUBSP. . AUTHOR P.JUNEJA,F.HUBRICH,K.DEIDERICHS,W.WELTE,J.N.ANDEXER . 331 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13437.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 224 67.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 23 6.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 79 23.9 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 . 1 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 1.2 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 . 23 6.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 30 9.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 57 17.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 0.9 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 1 0 0 0 0 0 0 2 0 1 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 0 0 1 1 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 PARALLEL BRIDGES PER LADDER . 2 1 1 3 4 1 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 1 0 0 1 1 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 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 14 A S 0 0 166 0, 0.0 2,-0.3 0, 0.0 3,-0.0 0.000 360.0 360.0 360.0 -78.1 57.4 26.5 38.8 2 15 A I - 0 0 145 1,-0.1 2,-0.3 0, 0.0 0, 0.0 -0.579 360.0-114.1 -76.3 130.9 58.9 23.0 38.6 3 16 A S + 0 0 104 -2,-0.3 2,-0.4 2,-0.0 -1,-0.1 -0.507 44.5 173.1 -68.0 126.1 61.9 22.8 36.3 4 17 A V - 0 0 75 -2,-0.3 2,-0.4 79,-0.1 62,-0.0 -1.000 18.8-165.4-139.8 139.2 61.1 20.5 33.3 5 18 A T - 0 0 55 -2,-0.4 79,-0.1 215,-0.0 3,-0.1 -0.989 18.9-134.4-124.7 130.5 62.9 19.6 30.1 6 19 A A - 0 0 6 -2,-0.4 58,-0.1 218,-0.4 79,-0.0 -0.359 43.6 -77.3 -78.4 157.4 61.2 17.9 27.1 7 20 A P + 0 0 1 0, 0.0 2,-0.3 0, 0.0 58,-0.2 -0.211 54.9 173.4 -61.5 148.8 63.0 15.0 25.4 8 21 A Y E -A 64 0A 35 56,-2.3 56,-2.9 -3,-0.1 2,-0.3 -0.961 20.1-121.4-152.1 165.3 65.9 15.6 23.0 9 22 A C E -A 63 0A 4 -2,-0.3 2,-0.3 54,-0.2 54,-0.2 -0.785 16.2-176.0-116.7 150.6 68.4 13.7 21.1 10 23 A R E -A 62 0A 105 52,-2.2 52,-3.1 -2,-0.3 2,-0.5 -0.982 18.7-141.7-134.2 149.5 72.2 13.3 20.8 11 24 A F E +A 61 0A 39 -2,-0.3 2,-0.3 50,-0.2 50,-0.2 -0.951 29.0 179.7-107.9 129.2 74.2 11.1 18.4 12 25 A E E -A 60 0A 87 48,-2.8 48,-2.9 -2,-0.5 2,-0.4 -0.883 35.5 -99.5-127.9 158.0 77.3 9.6 19.9 13 26 A K > - 0 0 136 -2,-0.3 3,-1.7 46,-0.2 46,-0.1 -0.646 45.8-117.5 -74.5 126.9 80.1 7.4 18.9 14 27 A T T 3 S+ 0 0 61 -2,-0.4 -1,-0.1 44,-0.3 44,-0.0 -0.441 98.5 19.0 -67.3 136.3 79.4 3.8 20.0 15 28 A G T 3 S+ 0 0 85 1,-0.3 -1,-0.3 -2,-0.1 -2,-0.0 0.385 92.4 134.4 87.2 -4.2 82.0 2.6 22.5 16 29 A S < - 0 0 58 -3,-1.7 -1,-0.3 1,-0.1 -4,-0.0 -0.545 61.9 -99.8 -81.6 145.4 83.2 6.1 23.3 17 30 A P - 0 0 94 0, 0.0 2,-1.2 0, 0.0 3,-0.1 -0.224 27.2-114.8 -62.6 148.3 83.8 7.1 27.0 18 31 A D + 0 0 120 1,-0.2 0, 0.0 2,-0.1 0, 0.0 -0.758 43.0 172.8 -78.4 98.1 81.2 9.1 28.9 19 32 A L S S+ 0 0 158 -2,-1.2 -1,-0.2 1,-0.2 0, 0.0 0.776 70.4 36.2 -81.7 -25.2 83.4 12.1 29.4 20 33 A E S S- 0 0 92 -3,-0.1 -1,-0.2 2,-0.0 -2,-0.1 0.503 91.2-131.9-112.7 -11.5 80.8 14.4 30.9 21 34 A G - 0 0 52 1,-0.2 2,-0.8 2,-0.0 -2,-0.0 0.935 27.7-161.9 59.8 53.8 78.6 12.2 33.1 22 35 A D > - 0 0 63 1,-0.2 3,-1.5 2,-0.1 -1,-0.2 -0.531 14.6-165.3 -82.4 108.7 75.3 13.6 31.8 23 36 A E T 3 S+ 0 0 124 -2,-0.8 -1,-0.2 1,-0.3 43,-0.1 0.579 78.6 77.2 -67.8 -9.7 72.5 12.7 34.2 24 37 A T T 3 + 0 0 21 43,-0.2 41,-2.1 41,-0.1 -1,-0.3 0.490 62.0 123.5 -83.3 -1.6 69.9 13.6 31.6 25 38 A V E < +B 64 0A 43 -3,-1.5 39,-0.3 39,-0.2 3,-0.1 -0.417 29.3 172.2 -64.6 127.7 70.3 10.3 29.6 26 39 A L E - 0 0 0 37,-3.4 2,-0.3 1,-0.4 38,-0.2 0.816 59.2 -29.1 -98.1 -48.5 67.0 8.4 29.3 27 40 A G E -B 63 0A 0 36,-1.5 36,-2.6 17,-0.2 -1,-0.4 -0.979 51.3-130.4-169.8 169.8 67.9 5.6 26.9 28 41 A L E -Bc 62 46A 41 17,-2.6 19,-1.4 -2,-0.3 2,-0.5 -0.995 4.6-164.9-141.9 134.5 70.1 4.5 24.1 29 42 A I E -Bc 61 47A 0 32,-2.7 32,-3.1 -2,-0.4 2,-0.8 -0.983 16.3-150.6-121.2 117.8 69.6 2.8 20.7 30 43 A E E -Bc 60 48A 43 17,-2.8 19,-2.6 -2,-0.5 2,-0.5 -0.797 8.7-161.0 -92.2 108.8 72.7 1.4 19.1 31 44 A H E +Bc 59 49A 1 28,-2.5 28,-1.7 -2,-0.8 2,-0.3 -0.774 42.2 97.9 -87.1 129.7 72.5 1.4 15.3 32 45 A G S S- 0 0 9 17,-1.8 20,-1.8 -2,-0.5 19,-0.4 -0.887 82.2 -47.5-178.0-152.5 75.0 -1.0 13.7 33 46 A T S S+ 0 0 53 -2,-0.3 2,-0.3 17,-0.2 17,-0.2 0.044 108.0 22.9-104.7 27.3 75.5 -4.4 12.1 34 47 A G - 0 0 31 15,-0.4 2,-0.3 139,-0.1 -2,-0.3 -0.928 68.8-120.6-167.4-173.5 73.8 -6.6 14.7 35 48 A H - 0 0 96 -2,-0.3 2,-0.3 14,-0.1 14,-0.2 -0.897 15.3-169.8-139.1 168.5 71.2 -6.7 17.5 36 49 A T - 0 0 41 12,-1.3 12,-0.1 -2,-0.3 3,-0.0 -0.856 34.9 -84.4-140.6 178.3 70.9 -7.5 21.2 37 50 A D - 0 0 111 -2,-0.3 2,-0.4 10,-0.1 11,-0.4 -0.176 50.7 -98.0 -73.0 176.9 68.2 -8.0 23.8 38 51 A V + 0 0 15 9,-0.1 2,-0.3 53,-0.1 9,-0.2 -0.890 57.3 150.1 -97.7 135.7 66.6 -5.1 25.6 39 52 A S E -D 46 0A 32 7,-2.0 7,-2.5 -2,-0.4 2,-0.5 -0.927 45.9-101.6-151.7 172.6 68.0 -4.3 29.0 40 53 A L E -D 45 0A 64 -2,-0.3 2,-0.6 5,-0.2 -13,-0.1 -0.911 24.2-165.6 -99.6 131.8 68.7 -1.5 31.5 41 54 A V E > S-D 44 0A 81 3,-2.6 3,-1.9 -2,-0.5 -2,-0.0 -0.960 80.5 -31.0-116.6 109.4 72.2 -0.2 31.8 42 55 A D T 3 S- 0 0 168 -2,-0.6 -1,-0.1 1,-0.3 -2,-0.0 0.896 129.0 -43.2 40.3 54.3 72.4 1.8 35.0 43 56 A G T 3 S+ 0 0 28 1,-0.2 -1,-0.3 37,-0.0 29,-0.1 0.347 117.0 113.3 84.7 -5.2 68.8 2.8 34.7 44 57 A A E < - D 0 41A 11 -3,-1.9 -3,-2.6 27,-0.1 -17,-0.2 -0.882 66.3-128.3-107.6 118.4 68.9 3.5 31.0 45 58 A P E + D 0 40A 0 0, 0.0 -17,-2.6 0, 0.0 2,-0.3 -0.402 37.6 177.5 -56.7 140.6 67.0 1.3 28.5 46 59 A R E +cD 28 39A 63 -7,-2.5 -7,-2.0 -19,-0.2 2,-0.3 -0.999 15.5 155.1-147.0 144.2 69.3 0.1 25.8 47 60 A T E -c 29 0A 0 -19,-1.4 -17,-2.8 -2,-0.3 2,-0.4 -0.967 31.2-126.8-156.1 164.9 69.2 -2.2 22.7 48 61 A A E -c 30 0A 10 -11,-0.4 -12,-1.3 -2,-0.3 2,-0.4 -0.941 20.5-162.4-112.4 137.0 71.0 -2.6 19.4 49 62 A V E -c 31 0A 1 -19,-2.6 -17,-1.8 -2,-0.4 2,-1.6 -0.913 24.2-125.5-120.3 147.6 69.2 -2.7 16.1 50 63 A H + 0 0 35 123,-0.5 122,-2.9 -2,-0.4 123,-0.3 -0.554 55.7 141.0 -93.1 73.0 70.7 -4.0 12.8 51 64 A T + 0 0 0 -2,-1.6 2,-0.3 -19,-0.4 -1,-0.2 0.368 59.1 34.3-104.2 5.1 70.0 -0.9 10.7 52 65 A T - 0 0 0 -20,-1.8 120,-0.1 261,-0.2 -20,-0.1 -0.941 62.2-136.3-152.1 175.5 73.1 -0.8 8.6 53 66 A T S S+ 0 0 60 -2,-0.3 2,-0.4 1,-0.1 -20,-0.1 0.355 81.7 62.9-118.4 0.7 75.7 -3.0 6.9 54 67 A R > - 0 0 123 1,-0.1 3,-1.9 260,-0.1 4,-0.2 -0.998 68.3-141.0-128.9 136.7 79.0 -1.4 7.7 55 68 A D G > S+ 0 0 120 -2,-0.4 3,-1.9 1,-0.3 -1,-0.1 0.819 101.3 67.0 -62.8 -29.6 80.6 -1.0 11.2 56 69 A D G 3 S+ 0 0 108 1,-0.3 -1,-0.3 -3,-0.1 -24,-0.0 0.571 98.6 53.8 -74.1 -1.5 81.9 2.5 10.2 57 70 A E G < S+ 0 0 26 -3,-1.9 -1,-0.3 254,-0.1 -2,-0.2 0.375 83.7 115.0-103.5 -0.8 78.2 3.6 10.0 58 71 A A < + 0 0 27 -3,-1.9 2,-0.3 -4,-0.2 -44,-0.3 -0.429 35.9 151.9 -70.0 146.0 77.4 2.4 13.5 59 72 A F E - B 0 31A 11 -28,-1.7 -28,-2.5 -46,-0.1 2,-0.5 -0.965 41.7-107.4-161.9 167.3 76.5 5.1 16.1 60 73 A T E -AB 12 30A 9 -48,-2.9 -48,-2.8 -2,-0.3 2,-0.7 -0.913 17.1-151.9-108.8 127.2 74.4 5.5 19.2 61 74 A E E -AB 11 29A 2 -32,-3.1 -32,-2.7 -2,-0.5 2,-0.5 -0.884 21.4-165.7 -92.5 114.9 71.2 7.4 19.3 62 75 A V E -AB 10 28A 6 -52,-3.1 -52,-2.2 -2,-0.7 2,-0.4 -0.923 8.4-154.0-113.5 124.4 70.8 8.8 22.8 63 76 A W E +AB 9 27A 6 -36,-2.6 -37,-3.4 -2,-0.5 -36,-1.5 -0.793 19.2 178.6 -96.8 140.3 67.5 10.2 24.2 64 77 A H E +AB 8 25A 5 -56,-2.9 -56,-2.3 -2,-0.4 -39,-0.2 -0.894 23.9 145.8-131.2 158.5 67.7 12.8 27.0 65 78 A A - 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