==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=7-DEC-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER STRUCTURAL GENOMICS, UNKNOWN FUNCTION 22-JUN-12 4FPW . COMPND 2 MOLECULE: CALU16; . SOURCE 2 ORGANISM_SCIENTIFIC: MICROMONOSPORA ECHINOSPORA; . AUTHOR J.SEETHARAMAN,S.LEW,H.JANJUA,R.XIAO,T.B.ACTON,J.K.EVERETT, . 318 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 16724.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 249 78.3 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 . 100 31.4 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 . 4 1.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 6 1.9 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 0.3 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 . 26 8.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 28 8.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 93 29.2 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 2 0 2 0 0 0 0 0 0 0 2 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 . 2 2 3 1 1 1 1 0 5 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 . 0 1 1 0 1 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 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 0 176 0, 0.0 2,-0.2 0, 0.0 25,-0.1 0.000 360.0 360.0 360.0 -51.5 33.2 -27.6 -0.6 2 6 A A - 0 0 67 23,-0.2 23,-0.4 2,-0.0 2,-0.3 -0.775 360.0-135.0-172.9 125.3 35.5 -25.9 -3.2 3 7 A T - 0 0 53 -2,-0.2 2,-0.5 21,-0.1 21,-0.2 -0.684 8.6-162.9-104.4 139.8 34.9 -22.7 -5.4 4 8 A E E -A 23 0A 115 19,-2.0 19,-1.7 -2,-0.3 2,-0.3 -0.977 17.6-155.1-113.5 119.3 35.5 -21.9 -9.0 5 9 A R E +A 22 0A 83 -2,-0.5 2,-0.3 17,-0.2 17,-0.2 -0.669 20.9 160.6 -93.5 152.5 35.5 -18.2 -9.9 6 10 A A E -A 21 0A 21 15,-1.9 15,-2.1 -2,-0.3 2,-0.4 -0.940 32.0-117.3-159.5 177.3 34.7 -16.8 -13.3 7 11 A L E +A 20 0A 56 -2,-0.3 13,-0.2 13,-0.2 2,-0.2 -0.986 28.5 171.5-128.1 133.8 33.7 -13.8 -15.3 8 12 A G E -A 19 0A 21 11,-1.3 11,-1.4 -2,-0.4 2,-0.3 -0.453 23.8-120.3-121.1-160.6 30.6 -13.2 -17.4 9 13 A R E +A 18 0A 181 9,-0.3 2,-0.3 -2,-0.2 9,-0.3 -0.989 27.6 172.8-151.4 135.0 28.8 -10.4 -19.3 10 14 A R E -A 17 0A 48 7,-3.4 7,-4.0 -2,-0.3 2,-0.7 -0.999 33.5-127.4-151.6 155.3 25.4 -8.8 -19.0 11 15 A T E +A 16 0A 103 -2,-0.3 5,-0.2 5,-0.2 -2,-0.0 -0.889 41.9 164.7 -97.5 108.8 23.1 -6.0 -20.2 12 16 A I E > -A 15 0A 11 3,-3.4 3,-4.6 -2,-0.7 80,-0.1 -0.885 53.8 -94.4-123.5 160.4 21.8 -4.2 -17.1 13 17 A P T 3 S+ 0 0 129 0, 0.0 3,-0.1 0, 0.0 78,-0.1 0.817 126.6 55.4 -40.7 -44.2 20.0 -0.8 -16.7 14 18 A A T 3 S- 0 0 48 1,-0.2 2,-0.3 76,-0.1 77,-0.0 0.513 122.6-108.2 -67.4 -3.8 23.3 0.9 -15.9 15 19 A G E < -A 12 0A 31 -3,-4.6 -3,-3.4 2,-0.0 2,-0.7 -0.846 68.3 -0.5 120.3-155.8 24.5 -0.6 -19.3 16 20 A E E S+A 11 0A 137 -2,-0.3 2,-0.3 -5,-0.2 -5,-0.2 -0.738 71.0 179.9 -77.6 113.4 26.9 -3.3 -20.6 17 21 A A E -A 10 0A 3 -7,-4.0 -7,-3.4 -2,-0.7 96,-0.2 -0.834 24.6-143.7-113.9 153.7 28.4 -4.9 -17.5 18 22 A R E -AB 9 112A 66 94,-1.0 94,-1.6 -2,-0.3 2,-0.3 -0.378 32.5-141.4 -90.0-175.6 30.9 -7.7 -17.0 19 23 A S E -AB 8 111A 0 -11,-1.4 -11,-1.3 92,-0.2 2,-0.4 -0.999 17.6-124.2-157.0 155.5 30.4 -10.0 -13.9 20 24 A I E -AB 7 110A 0 90,-2.5 90,-1.3 -2,-0.3 2,-0.4 -0.750 28.7-167.8 -85.5 137.0 31.7 -12.1 -11.0 21 25 A I E -AB 6 109A 14 -15,-2.1 -15,-1.9 -2,-0.4 2,-0.5 -0.971 3.5-172.2-135.5 120.7 30.6 -15.7 -11.1 22 26 A I E -AB 5 108A 0 86,-2.2 86,-2.5 -2,-0.4 2,-0.4 -0.948 1.9-168.8-117.1 128.3 31.1 -17.9 -8.0 23 27 A R E +AB 4 107A 67 -19,-1.7 -19,-2.0 -2,-0.5 2,-0.3 -0.983 13.6 162.4-123.2 127.7 30.4 -21.6 -8.2 24 28 A Q E - B 0 106A 12 82,-1.6 82,-1.8 -2,-0.4 2,-0.4 -0.995 26.6-140.2-145.5 140.5 30.2 -23.8 -5.1 25 29 A R E - B 0 105A 66 -23,-0.4 2,-0.4 -2,-0.3 -23,-0.2 -0.840 16.9-161.9-104.7 137.5 28.8 -27.2 -4.6 26 30 A Y E - B 0 104A 14 78,-3.0 78,-2.8 -2,-0.4 7,-0.1 -0.961 23.6-138.2-123.7 149.2 26.9 -28.1 -1.4 27 31 A D S S+ 0 0 135 -2,-0.4 76,-0.1 76,-0.2 -2,-0.0 -0.117 81.4 87.0 -91.5 27.8 26.1 -31.5 0.1 28 32 A A S S- 0 0 7 76,-0.1 -2,-0.2 1,-0.0 76,-0.1 -0.837 86.6 -97.2-119.8 162.0 22.6 -30.3 1.0 29 33 A P > - 0 0 53 0, 0.0 4,-2.0 0, 0.0 5,-0.2 -0.411 34.4-102.0 -83.9 166.0 19.7 -30.5 -1.3 30 34 A V H > S+ 0 0 16 73,-0.4 4,-2.9 1,-0.2 5,-0.1 0.826 117.1 51.7 -47.8 -47.3 18.3 -27.7 -3.5 31 35 A D H > S+ 0 0 112 2,-0.2 4,-3.4 1,-0.2 5,-0.3 0.964 109.9 47.2 -56.9 -56.9 15.3 -26.9 -1.2 32 36 A E H > S+ 0 0 111 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.866 114.6 47.4 -55.8 -41.0 17.4 -26.5 2.0 33 37 A V H X S+ 0 0 0 -4,-2.0 4,-1.2 2,-0.2 -1,-0.2 0.911 111.8 51.1 -70.2 -42.9 19.9 -24.4 0.1 34 38 A W H >X S+ 0 0 26 -4,-2.9 3,-0.9 1,-0.2 4,-0.7 0.965 111.8 46.4 -54.5 -57.8 17.0 -22.3 -1.3 35 39 A S H >X S+ 0 0 37 -4,-3.4 4,-2.9 1,-0.2 3,-0.7 0.878 111.8 52.4 -46.4 -42.7 15.5 -21.8 2.1 36 40 A A H 3< S+ 0 0 3 -4,-1.9 -1,-0.2 -5,-0.3 -2,-0.2 0.709 115.8 40.4 -71.8 -22.2 19.0 -20.9 3.5 37 41 A C H << S+ 0 0 21 -4,-1.2 -1,-0.2 -3,-0.9 -2,-0.2 0.336 129.9 26.3-104.8 -1.9 19.5 -18.3 0.8 38 42 A T H << S+ 0 0 36 -3,-0.7 -3,-0.2 -4,-0.7 -2,-0.2 0.577 92.8 88.7-138.9 -25.9 15.9 -16.9 0.8 39 43 A D >X - 0 0 53 -4,-2.9 3,-2.9 -5,-0.3 4,-2.9 -0.736 65.8-147.8 -81.2 115.2 14.2 -17.4 4.3 40 44 A P H 3> S+ 0 0 31 0, 0.0 4,-1.2 0, 0.0 -1,-0.1 0.754 97.1 60.1 -60.9 -24.8 15.2 -14.2 6.3 41 45 A N H 34 S+ 0 0 71 2,-0.2 -5,-0.1 1,-0.2 -2,-0.1 0.444 115.5 36.1 -77.7 -2.9 15.2 -16.3 9.5 42 46 A R H X> S+ 0 0 104 -3,-2.9 3,-1.3 -7,-0.2 4,-0.9 0.642 112.0 55.4-112.2 -37.5 17.9 -18.4 7.9 43 47 A I H 3X S+ 0 0 17 -4,-2.9 4,-2.6 1,-0.2 -2,-0.2 0.819 100.8 67.4 -58.9 -27.6 19.7 -15.7 6.0 44 48 A N H 3< S+ 0 0 10 -4,-1.2 -1,-0.2 -5,-0.4 5,-0.2 0.722 93.1 57.1 -66.7 -25.8 20.0 -14.1 9.4 45 49 A R H <4 S+ 0 0 102 -3,-1.3 -1,-0.2 -9,-0.1 -2,-0.2 0.978 122.2 18.9 -68.4 -54.7 22.3 -16.8 10.7 46 50 A W H < S+ 0 0 17 -4,-0.9 -2,-0.2 -10,-0.2 2,-0.2 0.671 130.8 8.1-100.1 -19.6 25.1 -16.4 8.2 47 51 A F S < S- 0 0 48 -4,-2.6 2,-0.5 -5,-0.2 82,-0.0 -0.549 96.7 -54.3-138.4-160.1 24.6 -13.0 6.7 48 52 A I - 0 0 42 -2,-0.2 -4,-0.1 16,-0.0 -3,-0.1 -0.813 55.1-119.6 -87.7 127.6 22.6 -9.8 7.0 49 53 A E - 0 0 24 -2,-0.5 14,-0.6 -5,-0.2 2,-0.2 -0.401 23.8-130.9 -67.4 136.0 18.8 -10.1 7.1 50 54 A P E -F 62 0B 13 0, 0.0 2,-0.3 0, 0.0 12,-0.2 -0.562 18.7-155.9 -83.6 153.1 16.8 -8.3 4.3 51 55 A K E +F 61 0B 87 10,-1.8 10,-1.2 -2,-0.2 2,-0.3 -0.964 48.5 54.4-136.9 145.5 13.7 -6.2 5.1 52 56 A G S S- 0 0 51 -2,-0.3 2,-0.9 8,-0.2 8,-0.1 -0.832 104.9 -31.1 125.9-170.5 10.8 -5.2 3.0 53 57 A D - 0 0 58 -2,-0.3 2,-1.4 6,-0.1 6,-0.9 -0.793 58.6-152.1 -83.2 104.3 8.3 -7.4 1.1 54 58 A L + 0 0 72 -2,-0.9 2,-0.3 4,-0.2 6,-0.1 -0.694 57.5 98.0 -78.0 90.9 10.4 -10.4 0.1 55 59 A R S > S- 0 0 146 -2,-1.4 3,-2.3 15,-0.0 15,-0.2 -0.930 85.4 -60.2-166.8 165.1 8.5 -11.4 -3.0 56 60 A E T 3 S+ 0 0 85 1,-0.3 15,-0.2 -2,-0.3 16,-0.1 -0.184 124.8 9.9 -60.3 139.8 8.8 -10.9 -6.7 57 61 A G T 3 S+ 0 0 57 13,-4.1 -1,-0.3 1,-0.2 14,-0.1 0.328 110.8 110.5 68.7 -9.6 8.8 -7.3 -7.8 58 62 A G < - 0 0 2 -3,-2.3 12,-2.8 12,-0.2 2,-0.3 0.092 63.5-118.0 -74.9-162.3 9.0 -6.5 -4.1 59 63 A N E - G 0 69B 66 -6,-0.9 2,-0.3 10,-0.3 10,-0.2 -0.969 16.6-153.8-151.0 162.5 12.1 -5.0 -2.4 60 64 A F E - G 0 68B 9 8,-2.8 8,-2.6 -2,-0.3 2,-0.3 -0.961 4.8-171.4-138.2 144.9 14.9 -5.5 0.1 61 65 A A E -FG 51 67B 40 -10,-1.2 -10,-1.8 -2,-0.3 2,-0.4 -0.990 13.0-152.5-133.5 143.1 17.2 -3.5 2.4 62 66 A L E -F 50 0B 17 4,-2.7 2,-1.9 3,-0.8 3,-0.1 -0.905 37.0 -98.9-113.3 139.6 20.1 -5.0 4.3 63 67 A Q S S+ 0 0 119 -14,-0.6 3,-0.1 -2,-0.4 4,-0.1 -0.352 110.5 43.7 -65.0 84.1 21.2 -3.2 7.5 64 68 A G S S- 0 0 60 -2,-1.9 2,-0.5 1,-0.5 -1,-0.2 0.395 125.5 -62.3 146.8 57.0 24.2 -1.2 6.3 65 69 A N S S+ 0 0 50 -3,-0.1 -3,-0.8 1,-0.1 -1,-0.5 -0.737 90.6 108.1 80.7-125.2 23.3 0.4 3.0 66 70 A A + 0 0 10 -2,-0.5 -4,-2.7 -5,-0.2 2,-0.3 0.745 34.4 155.5 -2.6 133.6 22.4 -2.0 0.1 67 71 A S E +GH 61 84B 40 17,-1.3 17,-2.8 -6,-0.3 2,-0.3 -0.873 6.0 147.9-150.0 170.9 18.9 -2.2 -0.9 68 72 A G E -G 60 0B 4 -8,-2.6 -8,-2.8 -2,-0.3 2,-0.2 -0.982 39.3 -76.7 173.6-172.3 17.2 -3.2 -4.1 69 73 A D E -G 59 0B 80 -2,-0.3 13,-1.9 -10,-0.2 2,-0.9 -0.626 31.8-120.8-107.8 166.4 14.3 -4.7 -5.9 70 74 A I + 0 0 11 -12,-2.8 -13,-4.1 11,-0.2 11,-0.2 -0.840 36.8 168.5-109.4 89.2 13.4 -8.3 -6.4 71 75 A L + 0 0 84 -2,-0.9 2,-0.4 9,-0.4 -1,-0.2 0.993 64.7 15.3 -65.9 -62.5 13.3 -8.6 -10.2 72 76 A R E +C 80 0A 120 8,-1.3 8,-3.0 -16,-0.1 2,-0.3 -0.934 54.9 175.2-124.2 138.0 13.0 -12.4 -10.5 73 77 A C E +C 79 0A 37 -2,-0.4 6,-0.2 6,-0.2 -17,-0.1 -0.870 7.4 165.0-142.6 105.0 12.1 -15.2 -8.1 74 78 A E E >> -C 78 0A 66 4,-2.5 3,-2.5 -2,-0.3 4,-2.2 -0.738 42.3-122.1-118.7 74.7 11.8 -18.7 -9.4 75 79 A P T 34 S+ 0 0 86 0, 0.0 -44,-0.1 0, 0.0 -2,-0.1 -0.386 84.0 10.4 -64.3 143.2 11.9 -20.9 -6.3 76 80 A P T 34 S+ 0 0 41 0, 0.0 -42,-0.1 0, 0.0 3,-0.1 -0.856 135.4 34.3-101.1 30.8 13.8 -23.1 -5.6 77 81 A R T <4 S+ 0 0 146 -3,-2.5 20,-2.0 1,-0.2 2,-0.3 0.863 104.3 36.6-108.8 -58.6 16.2 -22.3 -8.5 78 82 A R E < +CD 74 96A 78 -4,-2.2 -4,-2.5 18,-0.2 2,-0.3 -0.771 43.7 173.9-120.8 152.7 16.6 -18.7 -9.5 79 83 A L E -CD 73 95A 36 16,-1.6 16,-3.1 -2,-0.3 2,-0.4 -0.939 4.6-179.8-155.9 119.2 16.8 -15.3 -7.8 80 84 A T E +CD 72 94A 5 -8,-3.0 -8,-1.3 -2,-0.3 -9,-0.4 -0.996 9.6 166.5-125.2 138.9 17.5 -12.0 -9.4 81 85 A I E - 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