==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=4-OCT-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER STRUCTURAL GENOMICS, UNKNOWN FUNCTION 22-JUN-12 2LUZ . COMPND 2 MOLECULE: CALU16; . SOURCE 2 ORGANISM_SCIENTIFIC: MICROMONOSPORA ECHINOSPORA; . AUTHOR T.A.RAMELOT,Y.YANG,H.LEE,K.PEDERSON,D.LEE,E.KOHAN,H.JANJUA,R . 182 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10009.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 134 73.6 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 . 58 31.9 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 3 1.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 1.1 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 . 18 9.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 8 4.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 50 27.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 1 0.5 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 1 0 0 0 0 0 0 0 0 0 0 0 1 1 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 0 2 0 0 0 1 1 1 2 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 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 1 A M 0 0 46 0, 0.0 2,-1.4 0, 0.0 4,-0.1 0.000 360.0 360.0 360.0 112.8 19.8 -1.7 3.0 2 2 A A + 0 0 122 29,-0.1 2,-0.3 2,-0.1 140,-0.0 -0.547 360.0 75.1 -86.6 63.0 23.0 0.4 3.5 3 3 A S S S- 0 0 61 -2,-1.4 2,-0.4 0, 0.0 28,-0.1 -0.933 100.1 -58.1-161.5 170.2 21.9 2.4 0.4 4 4 A G - 0 0 69 -2,-0.3 2,-1.6 1,-0.1 25,-0.1 -0.560 52.7-121.5 -65.7 117.4 19.4 5.1 -0.7 5 5 A Q - 0 0 105 -2,-0.4 2,-1.2 1,-0.1 -1,-0.1 -0.510 33.6-140.7 -62.8 86.8 15.8 3.8 0.0 6 6 A A - 0 0 52 -2,-1.6 23,-1.8 23,-0.3 2,-0.4 -0.389 27.1-179.6 -68.1 88.0 14.8 4.1 -3.7 7 7 A T E -A 28 0A 50 -2,-1.2 2,-0.5 21,-0.2 21,-0.2 -0.783 12.9-167.8 -88.1 131.2 11.2 5.5 -3.6 8 8 A E E -A 27 0A 92 19,-1.8 19,-2.4 -2,-0.4 2,-0.4 -0.959 10.7-158.0-119.2 103.6 9.5 6.0 -6.9 9 9 A R E +A 26 0A 93 -2,-0.5 2,-0.3 17,-0.2 17,-0.2 -0.739 23.4 167.4 -83.2 132.5 6.3 8.0 -6.3 10 10 A A E -A 25 0A 20 15,-2.4 15,-2.3 -2,-0.4 2,-0.3 -0.843 25.8-149.2-143.9 171.4 3.7 7.6 -9.1 11 11 A L E +A 24 0A 40 -2,-0.3 2,-0.3 13,-0.3 13,-0.2 -0.855 27.6 132.7-138.7 165.4 0.1 8.2 -10.2 12 12 A G E -A 23 0A 29 11,-1.2 11,-2.3 -2,-0.3 2,-0.3 -0.978 46.7 -66.4 176.6-162.3 -2.4 6.4 -12.5 13 13 A R E +A 22 0A 212 -2,-0.3 2,-0.3 9,-0.2 9,-0.2 -0.907 38.4 163.6-120.4 145.6 -5.9 5.0 -13.1 14 14 A R E -A 21 0A 43 7,-2.1 7,-1.3 -2,-0.3 2,-0.2 -0.887 32.9-122.2-164.3 125.8 -7.6 2.0 -11.4 15 15 A T E +A 20 0A 80 5,-0.3 5,-0.3 -2,-0.3 100,-0.1 -0.472 30.0 177.2 -77.0 142.2 -11.3 1.1 -11.4 16 16 A I E > -A 19 0A 7 3,-2.3 3,-0.8 -2,-0.2 80,-0.1 -0.855 49.2 -91.5-133.1 165.8 -13.3 0.7 -8.1 17 17 A P T 3 S+ 0 0 109 0, 0.0 3,-0.1 0, 0.0 -2,-0.0 0.767 127.7 53.2 -49.0 -30.9 -17.1 -0.1 -7.3 18 18 A A T 3 S- 0 0 63 1,-0.3 2,-0.3 76,-0.0 -3,-0.0 0.843 126.9 -79.3 -71.5 -37.3 -17.7 3.7 -7.3 19 19 A G E < S-A 16 0A 21 -3,-0.8 -3,-2.3 -5,-0.1 2,-1.2 -0.946 74.3 -28.3 157.3-175.0 -16.1 4.2 -10.7 20 20 A E E S-A 15 0A 146 -2,-0.3 -5,-0.3 -5,-0.3 96,-0.1 -0.573 74.5-164.0 -71.7 93.9 -12.7 4.6 -12.5 21 21 A A E -A 14 0A 2 -7,-1.3 -7,-2.1 -2,-1.2 2,-0.3 -0.233 19.7-109.4 -76.8 167.1 -10.8 6.0 -9.5 22 22 A R E -AB 13 116A 54 94,-1.4 94,-1.5 -9,-0.2 2,-0.4 -0.771 36.6-151.0 -95.2 149.1 -7.4 7.8 -9.5 23 23 A S E -AB 12 115A 0 -11,-2.3 -11,-1.2 -2,-0.3 2,-0.3 -0.973 13.4-149.4-134.7 130.8 -4.5 5.8 -7.9 24 24 A I E -AB 11 114A 0 90,-2.1 90,-1.9 -2,-0.4 2,-0.4 -0.775 20.0-158.6 -88.9 140.1 -1.2 6.6 -6.0 25 25 A I E -AB 10 113A 21 -15,-2.3 -15,-2.4 -2,-0.3 2,-0.6 -0.992 9.5-166.5-126.9 124.3 1.7 4.1 -6.5 26 26 A I E -AB 9 112A 0 86,-2.6 86,-2.2 -2,-0.4 2,-0.7 -0.948 7.1-179.0-107.2 107.7 4.6 3.7 -4.1 27 27 A R E +AB 8 111A 103 -19,-2.4 -19,-1.8 -2,-0.6 2,-0.4 -0.899 12.0 174.2-106.9 98.8 7.4 1.6 -5.7 28 28 A Q E -AB 7 110A 10 82,-1.2 82,-2.3 -2,-0.7 2,-0.4 -0.904 26.1-133.3-110.0 133.2 10.2 1.3 -3.1 29 29 A R E - B 0 109A 92 -23,-1.8 2,-0.4 -2,-0.4 -23,-0.3 -0.743 22.0-172.8 -87.4 127.5 13.3 -0.8 -3.5 30 30 A Y E - B 0 108A 0 78,-2.1 78,-2.4 -2,-0.4 2,-1.1 -0.982 27.7-133.2-120.1 135.9 14.3 -3.1 -0.6 31 31 A D S S+ 0 0 70 -2,-0.4 76,-0.2 76,-0.2 -29,-0.1 -0.229 80.9 85.1 -85.7 45.4 17.6 -5.1 -0.5 32 32 A A S S- 0 0 4 -2,-1.1 -2,-0.2 76,-0.1 109,-0.1 -0.943 85.3 -89.7-136.1 159.0 15.8 -8.3 0.6 33 33 A P > - 0 0 62 0, 0.0 4,-1.7 0, 0.0 3,-0.5 -0.228 31.9-113.6 -67.1 157.0 13.9 -11.1 -1.4 34 34 A V H > S+ 0 0 11 73,-0.2 4,-3.3 1,-0.2 5,-0.3 0.878 117.8 64.3 -49.1 -48.0 10.2 -11.2 -2.3 35 35 A D H > S+ 0 0 123 1,-0.2 4,-1.3 2,-0.2 -1,-0.2 0.878 104.8 45.4 -43.4 -47.3 9.8 -14.2 0.1 36 36 A E H > S+ 0 0 55 -3,-0.5 4,-1.4 2,-0.2 -1,-0.2 0.934 118.0 41.6 -63.5 -46.5 10.8 -11.8 3.0 37 37 A V H X S+ 0 0 0 -4,-1.7 4,-1.8 1,-0.2 -2,-0.2 0.847 111.3 55.6 -76.9 -31.0 8.5 -9.0 1.9 38 38 A W H X S+ 0 0 33 -4,-3.3 4,-1.9 2,-0.2 5,-0.4 0.788 103.7 54.9 -75.3 -30.3 5.6 -11.3 1.0 39 39 A S H X S+ 0 0 59 -4,-1.3 4,-1.6 -5,-0.3 7,-0.3 0.918 111.1 45.9 -65.0 -44.5 5.7 -12.8 4.6 40 40 A A H < S+ 0 0 0 -4,-1.4 -2,-0.2 1,-0.2 -1,-0.2 0.844 114.3 49.7 -62.9 -38.5 5.3 -9.2 5.9 41 41 A C H < S+ 0 0 5 -4,-1.8 -2,-0.2 1,-0.1 -1,-0.2 0.848 123.4 22.5 -71.9 -40.6 2.5 -8.4 3.4 42 42 A T H < S+ 0 0 56 -4,-1.9 -3,-0.2 -5,-0.1 -2,-0.1 0.819 100.6 82.4-104.2 -38.9 0.1 -11.4 3.9 43 43 A D >X - 0 0 72 -4,-1.6 3,-1.9 -5,-0.4 4,-1.6 -0.640 65.6-148.9 -79.0 113.4 0.8 -12.9 7.4 44 44 A P H 3> S+ 0 0 50 0, 0.0 4,-2.0 0, 0.0 5,-0.2 0.809 98.6 59.5 -46.7 -38.5 -1.1 -10.8 10.2 45 45 A N H 34 S+ 0 0 83 1,-0.2 -5,-0.1 2,-0.2 -2,-0.1 0.713 114.3 37.4 -66.1 -24.8 1.6 -11.6 12.8 46 46 A R H <4 S+ 0 0 75 -3,-1.9 3,-0.5 -7,-0.3 -1,-0.2 0.685 110.9 61.2 -92.0 -25.1 4.0 -9.8 10.3 47 47 A I H >X S+ 0 0 19 -4,-1.6 4,-2.3 1,-0.2 3,-1.5 0.900 98.3 54.8 -74.3 -40.7 1.5 -7.0 9.2 48 48 A N T 3< S+ 0 0 61 -4,-2.0 -1,-0.2 1,-0.3 5,-0.2 0.660 94.3 73.0 -65.4 -15.0 1.0 -5.5 12.7 49 49 A R T 34 S+ 0 0 99 -3,-0.5 -1,-0.3 -5,-0.2 98,-0.2 0.480 121.6 8.4 -83.2 -5.1 4.9 -5.0 12.9 50 50 A W T <4 S+ 0 0 15 -3,-1.5 85,-0.3 -10,-0.1 86,-0.3 0.371 142.5 5.8-142.9 -15.8 4.7 -2.1 10.4 51 51 A F S < S- 0 0 45 -4,-2.3 2,-0.3 -5,-0.1 -3,-0.1 -0.054 101.3 -36.1-141.3-122.5 1.0 -1.5 10.0 52 52 A I - 0 0 28 -2,-0.1 -3,-0.1 -3,-0.1 -4,-0.1 -0.929 49.3-108.5-132.7 140.6 -2.3 -2.8 11.7 53 53 A E - 0 0 63 -2,-0.3 14,-0.7 -5,-0.2 2,-0.4 -0.553 41.7-142.6 -68.6 105.0 -3.4 -6.2 13.1 54 54 A P E -C 66 0A 11 0, 0.0 2,-0.5 0, 0.0 12,-0.2 -0.627 14.9-164.1 -84.2 124.1 -6.1 -7.3 10.4 55 55 A K E +C 65 0A 114 10,-2.0 10,-1.1 -2,-0.4 2,-0.3 -0.927 45.9 49.0-112.4 117.4 -9.2 -9.2 11.8 56 56 A G E S-C 64 0A 46 -2,-0.5 8,-0.2 8,-0.2 6,-0.0 -0.990 105.3 -36.6 161.2-152.2 -11.5 -11.2 9.4 57 57 A D - 0 0 77 6,-1.5 7,-0.2 -2,-0.3 -1,-0.1 0.862 57.6-164.6 -66.6 -41.9 -11.5 -13.8 6.7 58 58 A L + 0 0 68 5,-1.8 2,-0.3 1,-0.2 6,-0.1 0.654 55.7 102.8 59.7 22.0 -8.2 -12.3 5.3 59 59 A R S > S- 0 0 174 4,-0.3 3,-1.9 15,-0.1 15,-0.5 -0.918 85.9 -88.6-133.5 151.7 -9.0 -14.4 2.1 60 60 A E T 3 S+ 0 0 79 -2,-0.3 15,-0.2 1,-0.3 3,-0.1 -0.409 117.3 30.9 -66.4 135.0 -10.4 -13.6 -1.4 61 61 A G T 3 S+ 0 0 86 13,-2.0 -1,-0.3 1,-0.4 2,-0.2 0.255 115.6 79.9 91.2 -7.2 -14.2 -13.8 -1.3 62 62 A G S < S- 0 0 7 -3,-1.9 12,-2.3 12,-0.3 -1,-0.4 -0.589 75.9-106.6-121.9-175.7 -14.1 -12.7 2.4 63 63 A N E - D 0 73A 77 10,-0.3 -5,-1.8 -2,-0.2 -6,-1.5 -0.525 17.6-160.6-109.0 171.3 -13.8 -9.5 4.5 64 64 A F E -CD 56 72A 8 8,-2.1 8,-1.2 -8,-0.2 2,-0.3 -0.969 3.4-158.9-145.7 158.8 -11.2 -7.8 6.8 65 65 A A E -CD 55 71A 36 -10,-1.1 -10,-2.0 -2,-0.3 2,-0.4 -0.892 6.4-155.8-144.8 105.2 -11.3 -5.2 9.5 66 66 A L E > -C 54 0A 14 4,-2.4 3,-1.0 -2,-0.3 2,-0.6 -0.742 33.3-117.3 -75.5 127.5 -8.3 -3.1 10.6 67 67 A Q T 3 S+ 0 0 119 -14,-0.7 -14,-0.1 -2,-0.4 -1,-0.0 -0.583 92.8 2.0 -80.2 113.0 -8.9 -1.9 14.2 68 68 A G T 3 S+ 0 0 74 -2,-0.6 -1,-0.3 1,-0.1 -3,-0.0 0.901 131.4 52.1 78.8 46.4 -9.1 1.9 14.4 69 69 A N S < S- 0 0 19 -3,-1.0 21,-0.8 1,-0.0 2,-0.3 -0.037 101.1 -25.8-162.6 -83.7 -8.7 2.5 10.6 70 70 A A E - 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