==== 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 INHIBITOR 06-JAN-09 2W7Z . COMPND 2 MOLECULE: PENTAPEPTIDE REPEAT FAMILY PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: ENTEROCOCCUS FAECALIS; . AUTHOR M.W.VETTING,S.S.HEGDE,J.S.BLANCHARD . 415 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 20195.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 327 78.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 184 44.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 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-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 . 47 11.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 38 9.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 16 3.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 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 0 0 0 0 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 26 4 4 0 2 0 10 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 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 ANTIPARALLEL BRIDGES PER LADDER . 0 2 0 0 0 0 2 0 0 0 0 0 0 2 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 0 240 0, 0.0 2,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 146.9 31.9 -1.4 53.9 2 2 A X - 0 0 97 1,-0.1 3,-0.0 2,-0.1 0, 0.0 -0.285 360.0-151.3 -72.5 153.7 31.1 1.9 55.6 3 3 A I S S+ 0 0 86 2,-0.1 2,-0.3 -2,-0.0 -1,-0.1 0.406 82.0 62.8-101.7 -4.3 31.7 5.3 54.1 4 4 A T S S- 0 0 23 1,-0.1 -2,-0.1 0, 0.0 104,-0.0 -0.793 102.5 -80.2-118.0 163.0 32.2 6.9 57.5 5 5 A Y - 0 0 193 -2,-0.3 -2,-0.1 1,-0.1 -1,-0.1 -0.317 51.3-113.1 -64.2 144.2 34.8 6.2 60.1 6 6 A P - 0 0 98 0, 0.0 -1,-0.1 0, 0.0 0, 0.0 -0.300 33.6 -95.7 -73.5 160.8 34.3 3.1 62.3 7 7 A L 0 0 12 1,-0.1 82,-0.0 62,-0.0 62,-0.0 -0.462 360.0 360.0 -64.8 148.7 33.5 3.3 66.0 8 8 A P 0 0 149 0, 0.0 -1,-0.1 0, 0.0 -3,-0.0 -0.163 360.0 360.0 -60.0 360.0 36.8 2.9 68.0 9 ! 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 10 13 A E 0 0 241 0, 0.0 4,-0.0 0, 0.0 20,-0.0 0.000 360.0 360.0 360.0 8.3 40.3 -2.8 78.8 11 14 A Q + 0 0 182 1,-0.1 0, 0.0 2,-0.0 0, 0.0 0.873 360.0 28.0 -64.5 -37.2 40.1 -0.2 76.1 12 15 A L S S- 0 0 57 38,-0.0 17,-0.2 17,-0.0 -1,-0.1 -0.956 96.1-102.6-122.1 145.0 37.5 1.7 78.3 13 16 A P - 0 0 78 0, 0.0 17,-2.1 0, 0.0 2,-0.3 -0.424 44.1-121.5 -65.6 140.0 37.2 1.7 82.1 14 17 A L E -a 30 0A 92 15,-0.2 2,-0.4 -2,-0.1 17,-0.2 -0.618 27.0-176.9 -89.0 138.6 34.3 -0.6 83.3 15 18 A L E -a 31 0A 64 15,-2.8 17,-2.5 -2,-0.3 3,-0.1 -0.999 7.8-178.8-128.2 133.8 31.2 0.4 85.4 16 19 A T S S+ 0 0 74 -2,-0.4 2,-0.3 15,-0.2 15,-0.1 0.262 72.1 34.5-114.9 7.5 28.7 -2.3 86.5 17 20 A N + 0 0 120 17,-0.1 2,-0.3 2,-0.0 -1,-0.1 -0.976 63.0 153.4-150.1 157.1 26.3 0.0 88.3 18 21 A C - 0 0 28 -2,-0.3 2,-0.4 -3,-0.1 -3,-0.0 -0.972 29.4-130.0-170.4 166.4 25.1 3.5 87.8 19 22 A Q - 0 0 161 -2,-0.3 2,-0.4 2,-0.0 17,-0.0 -0.964 18.1-139.0-125.2 148.7 22.2 5.9 88.4 20 23 A L + 0 0 5 -2,-0.4 2,-0.3 4,-0.0 20,-0.1 -0.844 25.8 166.7-106.6 142.7 20.5 8.2 86.0 21 24 A E > - 0 0 123 -2,-0.4 3,-2.3 21,-0.1 20,-0.1 -0.961 49.7 -69.5-143.5 161.4 19.4 11.7 86.8 22 25 A D T 3 S+ 0 0 85 -2,-0.3 21,-0.2 1,-0.3 22,-0.1 -0.235 122.3 11.5 -49.6 136.2 18.2 14.7 84.7 23 26 A E T 3 S+ 0 0 116 19,-2.8 -1,-0.3 1,-0.2 21,-0.1 0.543 90.3 158.1 68.8 9.6 21.2 16.0 82.6 24 27 A A < - 0 0 21 -3,-2.3 21,-2.6 18,-0.3 2,-0.5 -0.400 29.6-152.2 -64.5 140.9 23.3 13.0 83.4 25 28 A I E -b 45 0A 80 19,-0.2 2,-0.6 -2,-0.1 21,-0.2 -0.979 7.6-168.2-115.7 118.0 26.2 12.3 81.0 26 29 A L E +b 46 0A 10 19,-2.9 21,-2.5 -2,-0.5 2,-0.3 -0.943 31.4 145.4-105.3 114.5 27.4 8.7 80.6 27 30 A E E +b 47 0A 58 -2,-0.6 21,-0.2 19,-0.2 22,-0.2 -0.986 41.4 19.6-149.0 153.2 30.6 8.7 78.7 28 31 A N S S+ 0 0 79 20,-1.4 2,-0.3 19,-1.0 21,-0.2 0.760 95.1 97.0 62.1 30.1 34.0 7.1 78.2 29 32 A H S S- 0 0 52 -17,-0.2 21,-2.0 19,-0.2 2,-0.7 -0.946 75.1-120.0-138.1 160.8 33.2 3.8 79.9 30 33 A L E -ac 14 50A 43 -17,-2.1 -15,-2.8 -2,-0.3 2,-0.6 -0.958 33.7-160.8 -92.2 114.4 32.1 0.3 79.3 31 34 A Y E -ac 15 51A 11 19,-3.0 21,-3.0 -2,-0.7 2,-0.4 -0.917 16.6-179.1-101.1 122.9 28.8 0.1 81.2 32 35 A Q E - c 0 52A 57 -17,-2.5 21,-0.2 -2,-0.6 22,-0.1 -0.977 49.4 -2.8-138.3 132.5 27.9 -3.6 81.7 33 36 A Q E S+ 0 0 124 19,-2.4 2,-0.5 -2,-0.4 21,-0.2 0.962 76.7 155.4 57.5 59.9 25.0 -5.5 83.4 34 37 A I E - c 0 54A 8 19,-1.2 21,-2.6 18,-0.3 2,-0.7 -0.979 28.8-160.0-122.2 121.3 23.1 -2.5 84.6 35 38 A D E + c 0 55A 119 -2,-0.5 21,-0.1 19,-0.2 19,-0.1 -0.890 25.9 153.9-106.3 104.3 19.3 -2.9 85.2 36 39 A L + 0 0 27 19,-2.7 3,-0.5 -2,-0.7 -1,-0.1 -0.503 15.2 163.5-131.1 67.7 17.6 0.5 85.2 37 40 A P + 0 0 45 0, 0.0 21,-0.2 0, 0.0 20,-0.1 -0.330 56.8 26.9 -77.7 165.2 14.0 -0.0 84.1 38 41 A N S S+ 0 0 111 19,-2.7 2,-0.2 1,-0.2 20,-0.1 0.745 80.6 153.9 58.4 32.3 11.1 2.4 84.6 39 42 A Q - 0 0 56 -3,-0.5 21,-2.6 18,-0.2 2,-0.4 -0.616 31.9-163.1 -88.7 149.8 13.3 5.6 84.6 40 43 A E E +o 60 0B 150 -2,-0.2 2,-0.4 19,-0.2 21,-0.2 -0.922 26.8 159.0-131.4 105.5 12.0 9.0 83.6 41 44 A V E -o 61 0B 6 19,-1.6 21,-0.8 -2,-0.4 3,-0.4 -0.996 28.0-142.3-138.3 132.9 15.1 11.2 82.9 42 45 A R E S+o 62 0B 137 -2,-0.4 -19,-2.8 19,-0.2 -18,-0.3 -0.728 75.9 1.6 -98.6 143.4 15.4 14.5 80.8 43 46 A N S S+ 0 0 61 19,-2.6 -1,-0.2 -2,-0.3 2,-0.2 0.836 79.5 175.3 53.9 37.4 18.3 15.6 78.6 44 47 A L - 0 0 0 18,-0.5 21,-2.0 -3,-0.4 2,-0.4 -0.494 15.0-155.3 -66.9 142.1 20.3 12.4 79.2 45 48 A V E -bd 25 65A 27 -21,-2.6 -19,-2.9 19,-0.2 2,-0.5 -0.993 14.6-178.4-126.0 125.7 23.5 12.2 77.2 46 49 A F E +bd 26 66A 0 19,-2.5 21,-2.1 -2,-0.4 2,-0.3 -0.997 24.8 155.9-115.3 123.8 25.2 8.8 76.3 47 50 A R E +bd 27 67A 79 -21,-2.5 -19,-1.0 -2,-0.5 21,-0.2 -0.997 50.1 3.4-152.1 147.4 28.4 9.4 74.3 48 51 A D E S+ 0 0 67 19,-2.0 -20,-1.4 -2,-0.3 2,-0.3 0.910 102.0 105.7 52.4 52.8 31.8 7.8 73.5 49 52 A A E - d 0 69A 5 19,-1.2 21,-1.6 18,-0.2 2,-0.4 -0.931 64.5-127.3-156.0 166.2 30.8 4.6 75.3 50 53 A V E -cd 30 70A 33 -21,-2.0 -19,-3.0 -2,-0.3 2,-0.5 -0.990 15.8-162.2-125.9 137.6 29.7 1.0 75.1 51 54 A F E -cd 31 71A 0 19,-2.7 21,-3.1 -2,-0.4 2,-0.5 -0.987 8.5-176.1-123.4 118.7 26.7 -0.4 76.9 52 55 A D E S-cd 32 72A 26 -21,-3.0 -19,-2.4 -2,-0.5 -18,-0.3 -0.964 72.3 -8.7-120.3 118.3 26.5 -4.2 77.3 53 56 A H E S+ 0 0 83 19,-2.3 -19,-1.2 -2,-0.5 2,-0.5 0.931 86.3 158.3 55.3 45.3 23.4 -5.7 78.9 54 57 A L E -c 34 0A 6 18,-0.3 21,-2.3 -21,-0.2 2,-0.5 -0.869 26.3-156.7 -86.3 133.7 22.0 -2.4 79.9 55 58 A S E +ce 35 75A 16 -21,-2.6 -19,-2.7 -2,-0.5 21,-0.2 -0.976 28.9 161.1-108.9 129.7 18.2 -2.4 80.5 56 59 A L > + 0 0 0 19,-2.9 3,-2.3 -2,-0.5 -17,-0.2 -0.001 26.4 171.0-120.3 22.1 16.2 0.8 80.2 57 60 A A T 3 + 0 0 10 18,-0.5 -19,-2.7 1,-0.3 -18,-0.2 -0.009 67.8 3.6 -41.3 130.2 13.0 -1.2 79.8 58 61 A N T 3 S+ 0 0 74 19,-2.8 -1,-0.3 -21,-0.2 21,-0.1 0.591 95.7 156.8 65.1 16.2 9.9 1.1 79.9 59 62 A G < - 0 0 0 -3,-2.3 21,-2.3 18,-0.3 2,-0.4 -0.267 35.2-149.6 -68.5 154.8 12.0 4.2 80.2 60 63 A Q E -op 40 80B 87 -21,-2.6 -19,-1.6 19,-0.2 2,-0.6 -0.949 18.0-179.3-127.6 112.7 10.9 7.7 79.3 61 64 A F E > -o 41 0B 7 19,-2.7 3,-0.7 -2,-0.4 2,-0.3 -0.915 15.0-151.8-123.5 106.6 13.7 10.0 78.0 62 65 A A E 3 S-o 42 0B 29 -21,-0.8 -19,-2.6 -2,-0.6 -18,-0.5 -0.601 80.9 -9.6 -77.1 132.3 13.0 13.6 77.0 63 66 A S T 3 S- 0 0 68 19,-0.7 -1,-0.3 -2,-0.3 21,-0.1 0.888 85.5-165.8 47.8 51.8 15.4 15.0 74.3 64 67 A F < - 0 0 2 -3,-0.7 21,-2.1 18,-0.3 2,-0.4 -0.422 4.2-159.7 -66.4 140.1 17.8 11.9 74.6 65 68 A D E +df 45 85A 63 -21,-2.0 -19,-2.5 19,-0.2 2,-0.4 -0.986 14.2 173.2-130.4 122.4 21.2 12.5 73.0 66 69 A C E +df 46 86A 0 19,-2.6 21,-2.3 -2,-0.4 2,-0.4 -0.993 3.7 166.9-135.1 122.9 23.3 9.6 72.0 67 70 A S E -df 47 87A 24 -21,-2.1 -19,-2.0 -2,-0.4 21,-0.2 -0.991 60.7 -0.6-146.0 135.5 26.6 9.8 70.0 68 71 A N E S+ 0 0 46 19,-2.3 -19,-1.2 -2,-0.4 2,-0.4 0.962 91.2 143.0 55.4 58.2 29.5 7.4 69.2 69 72 A V E -df 49 89A 0 19,-1.4 21,-2.2 18,-0.2 2,-0.5 -0.978 44.5-152.1-132.8 141.9 27.9 4.6 71.2 70 73 A R E -df 50 90A 95 -21,-1.6 -19,-2.7 -2,-0.4 2,-0.6 -0.970 10.6-165.7-108.1 125.0 27.7 0.8 70.8 71 74 A F E -df 51 91A 1 19,-3.4 21,-3.1 -2,-0.5 2,-0.5 -0.973 11.2-177.2-108.2 117.6 24.7 -0.9 72.5 72 75 A E E -df 52 92A 67 -21,-3.1 -19,-2.3 -2,-0.6 -18,-0.3 -0.970 65.4 -16.4-119.9 124.6 25.2 -4.6 72.7 73 76 A A S S+ 0 0 27 19,-2.7 2,-0.3 -2,-0.5 21,-0.2 0.875 91.4 156.7 52.5 43.8 22.5 -7.0 74.1 74 77 A C - 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