==== 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 STRUCTURAL GENOMICS, UNKNOWN FUNCTION 31-JAN-05 1VR4 . COMPND 2 MOLECULE: HYPOTHETICAL PROTEIN APC22750; . SOURCE 2 ORGANISM_SCIENTIFIC: BACILLUS CEREUS; . AUTHOR X.YANG,J.S.BRUNZELLE,L.K.MCNAMARA,G.MINASOV,L.SHUVALOVA,F.R. . 480 8 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 20800.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 339 70.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 15 3.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 141 29.4 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 . 7 1.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 0.8 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 . 36 7.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 28 5.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 94 19.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 1.0 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 1 0 0 0 0 0 0 0 0 0 0 0 2 0 0 1 0 2 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 5 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 . 3 2 2 0 0 0 0 0 3 5 2 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 3 2 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 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 90 0, 0.0 2,-0.6 0, 0.0 75,-0.2 0.000 360.0 360.0 360.0 123.6 27.4 27.7 -6.9 2 2 A I E -a 76 0A 52 73,-1.3 75,-3.0 121,-0.0 2,-0.4 -0.810 360.0-172.6 -80.6 119.2 27.9 28.5 -3.2 3 3 A V E +a 77 0A 8 -2,-0.6 2,-0.3 118,-0.2 75,-0.2 -0.964 14.2 168.9-105.9 129.5 24.7 29.7 -1.7 4 4 A T - 0 0 0 73,-2.1 76,-2.2 -2,-0.4 120,-0.1 -0.999 44.5-147.6-147.4 142.4 25.0 31.0 1.9 5 5 A T S S+ 0 0 19 -2,-0.3 2,-0.1 74,-0.2 73,-0.1 0.534 79.6 95.1 -79.8 -8.5 23.0 32.9 4.5 6 6 A T S S- 0 0 1 2,-0.1 73,-2.8 73,-0.1 2,-0.4 -0.430 85.4-117.7 -82.0 162.5 26.3 34.4 5.7 7 7 A S S S+ 0 0 47 71,-0.2 393,-0.3 72,-0.1 2,-0.2 -0.243 87.8 9.6 -95.4 39.5 27.7 37.8 4.7 8 8 A G S S- 0 0 13 -2,-0.4 2,-0.8 391,-0.1 -2,-0.1 -0.816 74.0-101.8 163.3 164.4 30.9 36.4 3.1 9 9 A I B > -E 12 0B 5 3,-0.5 3,-2.8 -2,-0.2 69,-0.0 -0.856 37.6-136.1-111.0 95.0 32.8 33.4 1.9 10 10 A Q T 3 S+ 0 0 67 -2,-0.8 3,-0.1 1,-0.3 -2,-0.0 -0.241 92.1 18.7 -46.0 128.2 35.5 32.5 4.5 11 11 A G T 3 S+ 0 0 84 1,-0.1 2,-0.5 106,-0.0 -1,-0.3 0.106 114.2 81.2 95.8 -21.1 38.7 31.8 2.5 12 12 A K B < -E 9 0B 114 -3,-2.8 -3,-0.5 91,-0.0 2,-0.2 -0.967 69.3-141.3-127.5 118.8 37.5 33.5 -0.7 13 13 A E - 0 0 145 -2,-0.5 2,-0.6 -5,-0.1 -5,-0.0 -0.529 23.7-121.9 -72.1 141.4 37.7 37.2 -1.4 14 14 A I - 0 0 4 -2,-0.2 89,-0.2 89,-0.2 3,-0.1 -0.765 27.6-178.1 -84.2 123.7 34.7 38.7 -3.3 15 15 A I + 0 0 91 87,-1.9 2,-0.3 -2,-0.6 88,-0.2 0.708 66.8 19.9 -96.3 -24.5 36.0 40.3 -6.5 16 16 A E E -B 102 0A 92 86,-1.7 86,-2.6 0, 0.0 2,-0.7 -0.972 55.8-152.1-148.9 135.6 32.6 41.6 -7.9 17 17 A Y E +B 101 0A 26 -2,-0.3 84,-0.2 84,-0.2 379,-0.1 -0.924 24.2 175.8-102.5 112.5 29.2 42.4 -6.4 18 18 A I E - 0 0 41 82,-2.0 2,-0.3 -2,-0.7 83,-0.2 0.941 45.8 -46.7 -87.1 -53.0 26.8 41.9 -9.3 19 19 A D E -B 100 0A 69 81,-1.3 81,-3.6 376,-0.1 2,-0.4 -0.954 48.3 -95.6-177.2 152.2 23.2 42.3 -8.1 20 20 A I E -B 99 0A 14 -2,-0.3 2,-0.3 79,-0.3 79,-0.3 -0.716 46.6-162.3 -79.3 133.6 20.7 41.5 -5.5 21 21 A V E -B 98 0A 1 77,-3.1 77,-1.9 -2,-0.4 2,-0.3 -0.911 7.7-168.4-120.2 154.1 18.7 38.6 -6.9 22 22 A N E -B 97 0A 19 -2,-0.3 2,-0.3 75,-0.2 75,-0.2 -0.955 7.7-176.0-139.8 150.0 15.3 37.3 -5.7 23 23 A G E -B 96 0A 0 73,-2.2 73,-3.6 -2,-0.3 2,-0.3 -0.969 9.5-175.5-142.1 153.9 13.2 34.2 -6.3 24 24 A E E -B 95 0A 0 -2,-0.3 405,-3.0 71,-0.2 406,-0.3 -0.984 11.3-165.7-148.5 158.2 9.7 33.3 -5.1 25 25 A A E -BC 94 428A 0 69,-2.3 69,-2.5 -2,-0.3 2,-0.4 -0.983 12.6-146.5-142.7 149.0 7.1 30.6 -5.1 26 26 A I E -BC 93 427A 32 401,-3.0 401,-2.2 -2,-0.3 2,-0.5 -0.974 5.7-150.1-128.2 130.9 3.5 30.6 -4.3 27 27 A M E -BC 92 426A 5 65,-3.5 65,-1.6 -2,-0.4 399,-0.2 -0.852 22.3-119.5-102.5 128.3 1.4 27.9 -2.7 28 28 A G > - 0 0 19 397,-1.9 4,-2.3 -2,-0.5 3,-0.4 -0.235 18.2-121.4 -61.9 149.3 -2.3 27.4 -3.4 29 29 A A H > S+ 0 0 26 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.911 114.9 59.0 -56.5 -47.5 -4.9 27.7 -0.6 30 30 A N H > S+ 0 0 117 1,-0.2 4,-0.8 2,-0.2 -1,-0.2 0.854 110.9 42.9 -46.4 -41.9 -6.0 24.1 -1.4 31 31 A I H 4 S+ 0 0 17 -3,-0.4 3,-0.4 2,-0.2 -2,-0.2 0.891 108.3 54.8 -76.5 -41.5 -2.5 23.0 -0.7 32 32 A V H >< S+ 0 0 3 -4,-2.3 3,-1.0 1,-0.2 -2,-0.2 0.899 106.8 54.9 -57.3 -40.7 -1.9 25.2 2.5 33 33 A R H >< S+ 0 0 125 -4,-2.4 3,-1.5 1,-0.3 -1,-0.2 0.806 97.7 63.4 -59.5 -36.1 -5.1 23.5 3.9 34 34 A D T 3< S+ 0 0 114 -4,-0.8 -1,-0.3 -3,-0.4 -2,-0.1 -0.074 99.3 56.4 -80.6 30.7 -3.5 20.1 3.2 35 35 A L T < + 0 0 9 -3,-1.0 2,-0.5 2,-0.0 3,-0.3 0.042 69.9 102.7-145.0 20.4 -0.8 21.1 5.8 36 36 A F X + 0 0 55 -3,-1.5 3,-0.5 1,-0.2 -3,-0.1 -0.452 39.0 137.2 -90.9 52.8 -3.3 21.7 8.6 37 37 A A G > + 0 0 54 -2,-0.5 3,-0.7 1,-0.2 2,-0.6 0.748 41.5 95.8 -68.9 -24.3 -2.1 18.3 9.9 38 38 A S G 3 + 0 0 0 -3,-0.3 3,-0.3 1,-0.3 -1,-0.2 0.227 35.4 122.4 -59.1 16.6 -2.0 19.9 13.3 39 39 A V G < S+ 0 0 105 -2,-0.6 2,-0.3 -3,-0.5 -1,-0.3 0.661 85.0 43.1 -48.9 -14.2 -5.5 18.5 14.0 40 40 A R S < S- 0 0 207 -3,-0.7 -1,-0.3 1,-0.1 93,-0.0 -0.832 119.4 -77.3-142.3 99.9 -3.3 17.2 16.8 41 41 A D S S- 0 0 81 -2,-0.3 91,-1.1 -3,-0.3 2,-0.5 -0.177 89.3 -15.9 65.5-129.0 -0.7 19.3 18.7 42 42 A V E -F 131 0C 18 89,-0.2 2,-0.4 -3,-0.1 89,-0.2 -0.957 60.1-179.3-124.1 129.3 2.6 20.1 17.0 43 43 A V E -F 130 0C 39 87,-2.2 87,-2.8 -2,-0.5 -5,-0.1 -0.915 25.3-119.7-130.7 141.8 4.1 18.3 14.0 44 44 A G E > -F 129 0C 9 -2,-0.4 3,-1.7 85,-0.2 85,-0.3 -0.370 30.1-113.5 -68.4 154.7 7.4 18.8 12.1 45 45 A G T 3 S+ 0 0 0 83,-3.6 8,-1.5 1,-0.3 10,-0.1 0.694 117.6 52.8 -59.4 -20.9 7.3 19.6 8.4 46 46 A R T > S+ 0 0 33 82,-0.4 3,-1.0 6,-0.2 2,-0.4 0.234 73.9 128.9-103.3 17.6 8.8 16.2 7.8 47 47 A A T < S- 0 0 50 -3,-1.7 3,-0.1 1,-0.2 6,-0.1 -0.588 90.0 -7.3 -72.0 123.2 6.2 14.1 9.6 48 48 A G T 3 S+ 0 0 91 -2,-0.4 2,-0.3 1,-0.1 -1,-0.2 0.635 122.3 87.0 63.2 16.9 5.0 11.3 7.3 49 49 A S S < S- 0 0 42 -3,-1.0 -1,-0.1 1,-0.2 3,-0.1 -0.981 72.2-135.9-139.0 153.1 6.9 12.8 4.3 50 50 A Y S S+ 0 0 187 -2,-0.3 2,-0.3 1,-0.2 -1,-0.2 0.985 96.0 29.7 -67.8 -58.2 10.4 12.3 2.9 51 51 A E S S- 0 0 83 1,-0.1 -1,-0.2 2,-0.0 5,-0.1 -0.779 105.8 -86.5-101.7 145.6 11.0 16.0 2.2 52 52 A S >> - 0 0 7 -2,-0.3 3,-2.1 1,-0.1 4,-0.5 -0.135 36.5-118.4 -45.2 139.3 9.3 18.8 4.1 53 53 A K T 34 S+ 0 0 65 -8,-1.5 4,-0.2 1,-0.3 -1,-0.1 0.617 116.8 44.3 -60.4 -12.9 5.9 19.8 2.8 54 54 A L T 3> S+ 0 0 0 2,-0.1 4,-2.2 1,-0.1 -1,-0.3 0.340 87.1 93.3-108.1 -0.3 7.3 23.3 2.1 55 55 A K H <> S+ 0 0 54 -3,-2.1 4,-3.0 1,-0.2 5,-0.2 0.863 81.8 54.6 -65.3 -37.4 10.5 22.1 0.5 56 56 A E H X S+ 0 0 123 -4,-0.5 4,-1.9 2,-0.2 -1,-0.2 0.906 108.9 47.3 -66.8 -39.8 9.1 22.2 -3.0 57 57 A A H > S+ 0 0 1 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.912 115.2 46.7 -63.0 -44.1 8.1 25.8 -2.7 58 58 A R H X S+ 0 0 12 -4,-2.2 4,-3.1 2,-0.2 -2,-0.2 0.889 110.5 52.1 -65.5 -42.8 11.5 26.7 -1.2 59 59 A D H X S+ 0 0 65 -4,-3.0 4,-2.5 2,-0.2 -1,-0.2 0.864 110.1 49.2 -63.3 -36.3 13.3 24.8 -3.9 60 60 A I H X S+ 0 0 45 -4,-1.9 4,-1.8 2,-0.2 -2,-0.2 0.913 113.8 45.6 -68.6 -43.1 11.4 26.6 -6.6 61 61 A A H X S+ 0 0 0 -4,-2.1 4,-1.8 2,-0.2 -2,-0.2 0.947 115.5 46.7 -60.9 -50.2 12.1 30.0 -5.1 62 62 A M H X S+ 0 0 13 -4,-3.1 4,-2.7 1,-0.2 -2,-0.2 0.880 110.4 53.8 -59.5 -42.6 15.8 29.1 -4.6 63 63 A D H X S+ 0 0 91 -4,-2.5 4,-2.5 1,-0.2 -1,-0.2 0.855 108.9 48.3 -59.8 -43.3 16.1 27.7 -8.2 64 64 A E H X S+ 0 0 18 -4,-1.8 4,-1.7 2,-0.2 -1,-0.2 0.868 111.6 49.4 -67.3 -35.1 14.7 31.0 -9.7 65 65 A M H X S+ 0 0 0 -4,-1.8 4,-2.4 1,-0.2 3,-0.2 0.989 115.3 43.9 -69.5 -52.4 17.2 33.0 -7.6 66 66 A K H X S+ 0 0 36 -4,-2.7 4,-3.3 1,-0.2 5,-0.3 0.880 109.3 55.3 -54.7 -47.0 20.1 30.9 -8.6 67 67 A E H X S+ 0 0 89 -4,-2.5 4,-1.9 1,-0.2 -1,-0.2 0.920 111.7 46.6 -54.9 -42.5 19.1 30.7 -12.3 68 68 A L H X S+ 0 0 51 -4,-1.7 4,-1.5 -3,-0.2 -2,-0.2 0.921 112.8 47.5 -63.2 -51.6 19.1 34.6 -12.3 69 69 A A H <>S+ 0 0 0 -4,-2.4 5,-1.9 2,-0.2 3,-0.4 0.923 111.4 51.4 -52.7 -51.0 22.4 34.8 -10.5 70 70 A K H ><5S+ 0 0 122 -4,-3.3 3,-1.4 1,-0.2 -2,-0.2 0.890 108.4 51.7 -56.7 -41.5 24.0 32.3 -12.9 71 71 A Q H 3<5S+ 0 0 141 -4,-1.9 -1,-0.2 1,-0.3 -2,-0.2 0.790 104.8 57.3 -69.3 -28.2 22.7 34.3 -15.9 72 72 A K T 3<5S- 0 0 91 -4,-1.5 -1,-0.3 -3,-0.4 -2,-0.2 0.438 122.5-106.2 -81.3 -2.2 24.3 37.4 -14.4 73 73 A G T < 5S+ 0 0 43 -3,-1.4 -3,-0.2 -4,-0.3 2,-0.2 0.594 72.1 143.0 92.2 12.7 27.7 35.7 -14.4 74 74 A A < - 0 0 10 -5,-1.9 -1,-0.3 -6,-0.1 28,-0.3 -0.482 37.2-167.9 -83.3 151.7 27.9 35.1 -10.6 75 75 A N S S+ 0 0 72 26,-2.1 -73,-1.3 1,-0.2 2,-0.3 0.264 73.6 31.5-123.5 6.4 29.4 32.0 -9.1 76 76 A A E -aD 2 101A 0 25,-1.5 25,-2.9 -75,-0.2 2,-0.4 -0.986 60.1-149.2-156.1 154.8 28.0 32.6 -5.6 77 77 A I E -aD 3 100A 0 -75,-3.0 -73,-2.1 -2,-0.3 3,-0.2 -0.965 23.6-175.9-130.3 125.1 25.1 34.1 -3.8 78 78 A V E + D 0 99A 0 21,-2.4 21,-3.3 -2,-0.4 320,-0.2 -0.625 56.4 33.1-117.8 166.9 25.7 35.6 -0.3 79 79 A G E S- 0 0 10 -73,-2.8 -74,-0.2 19,-0.2 -1,-0.2 0.863 76.8-175.9 58.0 40.3 23.5 37.2 2.4 80 80 A V E - 0 0 6 -76,-2.2 2,-0.4 -74,-0.3 18,-0.2 -0.461 7.3-175.6 -73.0 135.0 20.6 34.9 1.5 81 81 A D E - D 0 97A 29 16,-2.5 16,-2.1 -2,-0.2 2,-0.4 -0.990 14.0-150.1-128.4 145.4 17.4 35.4 3.4 82 82 A V E - D 0 96A 1 -2,-0.4 2,-0.4 14,-0.2 14,-0.2 -0.916 15.5-170.4-110.7 138.1 14.1 33.4 3.2 83 83 A D E - D 0 95A 23 12,-3.1 12,-2.7 -2,-0.4 2,-0.4 -0.979 7.5-159.3-129.7 144.9 10.8 35.2 3.9 84 84 A Y E + D 0 94A 12 -2,-0.4 2,-0.3 10,-0.2 10,-0.2 -0.942 16.4 168.0-120.9 142.0 7.3 33.7 4.3 85 85 A E E - 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