==== 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 15-SEP-06 2IDL . COMPND 2 MOLECULE: HYPOTHETICAL PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: STREPTOCOCCUS PNEUMONIAE; . AUTHOR B.NOCEK,R.WU,J.ABDULLAH,A.JOACHIMIAK,MIDWEST CENTER FOR STRU . 229 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11937.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 162 70.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 15 6.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 40 17.5 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 . 2 0.9 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 . 2 0.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 12 5.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 86 37.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 2.2 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 0 0 0 0 0 0 0 0 0 0 0 0 2 0 2 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 0 0 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 PARALLEL BRIDGES PER LADDER . 0 0 0 0 4 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 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 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 0 A A 0 0 53 0, 0.0 2,-0.8 0, 0.0 26,-0.1 0.000 360.0 360.0 360.0 76.3 11.8 19.2 30.3 2 1 A M - 0 0 112 105,-0.0 2,-0.5 2,-0.0 105,-0.2 -0.893 360.0-165.5 -91.0 111.9 9.0 17.1 31.8 3 2 A I E -a 107 0A 0 103,-3.4 105,-2.0 -2,-0.8 2,-0.4 -0.859 4.0-168.6 -98.1 129.8 7.5 15.4 28.8 4 3 A Q E -aB 108 21A 76 17,-2.2 17,-2.4 -2,-0.5 2,-0.4 -0.994 3.3-173.3-120.7 130.1 4.1 13.9 29.4 5 4 A A E -aB 109 20A 1 103,-2.7 105,-2.4 -2,-0.4 2,-0.4 -0.972 2.4-175.1-123.6 130.4 2.4 11.5 26.8 6 5 A V E -aB 110 19A 32 13,-2.4 13,-2.4 -2,-0.4 2,-0.4 -0.983 5.7-165.4-127.8 119.3 -1.1 10.2 27.1 7 6 A F E -aB 111 18A 0 103,-2.8 105,-2.7 -2,-0.4 2,-0.5 -0.893 12.9-140.2-105.7 137.1 -2.5 7.6 24.6 8 7 A E E -aB 112 17A 61 9,-2.8 8,-3.2 -2,-0.4 9,-0.9 -0.834 15.7-168.9-102.1 128.8 -6.2 6.9 24.4 9 8 A R E - B 0 15A 49 103,-2.6 6,-0.2 -2,-0.5 5,-0.1 -0.953 15.7-133.1-116.6 136.1 -7.5 3.4 23.8 10 9 A A > - 0 0 17 4,-3.0 3,-1.7 -2,-0.4 6,-0.0 -0.153 40.2 -89.5 -71.0 174.2 -11.1 2.4 22.9 11 10 A E T 3 S+ 0 0 206 1,-0.3 -1,-0.1 2,-0.1 102,-0.0 0.763 129.1 49.0 -61.5 -29.6 -13.0 -0.4 24.7 12 11 A D T 3 S- 0 0 111 2,-0.1 -1,-0.3 0, 0.0 -2,-0.0 0.425 125.8 -99.6 -89.4 -0.5 -11.7 -3.0 22.2 13 12 A G S < S+ 0 0 28 -3,-1.7 -2,-0.1 1,-0.3 2,-0.1 0.273 72.2 146.2 102.8 -10.2 -8.1 -1.8 22.6 14 13 A E - 0 0 45 -5,-0.1 -4,-3.0 1,-0.1 2,-0.3 -0.390 50.8-121.1 -65.4 135.3 -7.8 0.3 19.5 15 14 A L E +B 9 0A 1 -6,-0.2 -6,-0.2 1,-0.1 3,-0.1 -0.588 35.4 171.1 -74.8 131.8 -5.6 3.4 19.8 16 15 A R E - 0 0 79 -8,-3.2 57,-2.5 1,-0.4 2,-0.3 0.699 55.1 -7.6-114.9 -32.8 -7.5 6.6 19.1 17 16 A S E -BC 8 72A 8 -9,-0.9 -9,-2.8 55,-0.2 -1,-0.4 -0.991 46.2-148.1-159.8 161.2 -5.3 9.5 20.0 18 17 A A E -BC 7 71A 0 53,-2.3 53,-2.5 -2,-0.3 2,-0.4 -0.994 8.8-165.7-136.0 140.1 -2.1 10.7 21.6 19 18 A E E -BC 6 70A 69 -13,-2.4 -13,-2.4 -2,-0.3 2,-0.4 -0.989 10.2-175.9-124.1 126.2 -1.4 13.9 23.5 20 19 A I E +BC 5 69A 1 49,-3.4 49,-2.5 -2,-0.4 2,-0.3 -0.986 2.7 178.9-128.2 132.5 2.1 15.0 24.2 21 20 A T E +BC 4 68A 43 -17,-2.4 -17,-2.2 -2,-0.4 47,-0.2 -0.957 57.1 32.6-129.3 149.2 3.3 18.1 26.2 22 21 A G S S+ 0 0 17 45,-1.9 45,-0.2 -2,-0.3 46,-0.1 0.437 75.8 112.3 97.0 3.4 6.7 19.5 27.2 23 22 A H + 0 0 22 44,-0.2 44,-0.2 -19,-0.1 16,-0.2 0.325 42.0 120.4 -95.1 6.0 8.8 18.4 24.1 24 23 A A S S- 0 0 16 42,-2.9 2,-0.3 40,-0.1 11,-0.1 -0.426 70.0 -75.2 -72.4 145.6 9.5 21.9 22.7 25 24 A E S S+ 0 0 162 -2,-0.1 41,-0.2 10,-0.1 -1,-0.1 -0.580 73.7 107.2 -66.5 124.4 13.1 23.1 22.2 26 25 A S + 0 0 86 -2,-0.3 -2,-0.1 -3,-0.0 -1,-0.0 0.473 37.8 82.9-135.8 161.8 14.9 24.1 24.5 27 26 A G - 0 0 22 -26,-0.1 -3,-0.0 -2,-0.0 -2,-0.0 0.822 35.4-168.7 118.7 169.0 17.2 22.9 25.7 28 27 A E + 0 0 99 2,-0.0 2,-0.2 3,-0.0 -3,-0.0 -0.995 66.1 55.0-110.6 7.4 19.8 22.9 24.9 29 28 A Y S S- 0 0 180 3,-0.1 0, 0.0 4,-0.0 0, 0.0 -0.922 115.7 -36.3-172.3 35.0 21.4 20.7 26.7 30 29 A G S > S+ 0 0 48 -2,-0.2 4,-0.9 0, 0.0 3,-0.3 -0.316 126.7 68.6 97.8 -48.6 20.8 17.1 27.3 31 30 A L H > S+ 0 0 39 1,-0.2 4,-2.5 2,-0.2 3,-0.4 0.879 88.7 62.0 -74.1 -36.3 17.1 17.7 27.3 32 31 A D H > S+ 0 0 10 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.771 97.9 59.0 -64.6 -23.4 16.9 18.5 23.6 33 32 A V H > S+ 0 0 16 -3,-0.3 4,-1.7 2,-0.2 -1,-0.2 0.911 108.5 44.2 -66.8 -41.5 18.1 15.0 22.8 34 33 A V H X S+ 0 0 4 -4,-0.9 4,-2.3 -3,-0.4 -2,-0.2 0.929 114.3 49.7 -68.7 -42.9 15.1 13.6 24.6 35 34 A C H X S+ 0 0 7 -4,-2.5 4,-2.7 1,-0.2 -1,-0.2 0.868 108.8 52.2 -61.4 -40.1 12.8 16.1 22.9 36 35 A A H X S+ 0 0 18 -4,-2.0 4,-2.1 -5,-0.2 -1,-0.2 0.876 108.9 50.9 -67.7 -36.5 14.2 15.2 19.5 37 36 A S H X S+ 0 0 2 -4,-1.7 4,-1.8 2,-0.2 -2,-0.2 0.929 112.9 44.9 -64.1 -45.4 13.6 11.5 20.2 38 37 A V H X S+ 0 0 0 -4,-2.3 4,-2.3 1,-0.2 -2,-0.2 0.940 114.2 48.9 -63.1 -48.2 9.9 12.2 21.2 39 38 A S H X S+ 0 0 39 -4,-2.7 4,-3.0 1,-0.2 5,-0.3 0.874 107.6 55.8 -60.6 -38.2 9.3 14.5 18.2 40 39 A T H X S+ 0 0 18 -4,-2.1 4,-2.4 1,-0.2 5,-0.2 0.927 109.2 46.1 -62.0 -45.5 10.8 12.0 15.8 41 40 A L H X S+ 0 0 8 -4,-1.8 4,-2.0 2,-0.2 -2,-0.2 0.929 116.2 45.2 -60.4 -47.2 8.4 9.3 17.0 42 41 A A H X S+ 0 0 3 -4,-2.3 4,-2.3 2,-0.2 -2,-0.2 0.932 116.2 44.2 -64.4 -49.3 5.4 11.6 16.8 43 42 A I H X S+ 0 0 76 -4,-3.0 4,-3.0 1,-0.2 5,-0.2 0.894 113.2 49.9 -68.6 -38.7 6.3 13.1 13.4 44 43 A N H X S+ 0 0 23 -4,-2.4 4,-2.6 -5,-0.3 -1,-0.2 0.891 109.4 53.8 -67.2 -35.3 7.2 9.8 11.8 45 44 A F H X S+ 0 0 7 -4,-2.0 4,-2.1 -5,-0.2 -2,-0.2 0.971 112.3 43.4 -56.5 -54.5 3.8 8.4 13.1 46 45 A I H X S+ 0 0 9 -4,-2.3 4,-2.2 1,-0.2 -2,-0.2 0.928 115.6 47.7 -59.0 -48.1 1.9 11.2 11.4 47 46 A N H X S+ 0 0 48 -4,-3.0 4,-2.4 1,-0.2 -1,-0.2 0.846 110.2 53.5 -64.6 -35.9 4.0 11.0 8.2 48 47 A S H X>S+ 0 0 0 -4,-2.6 4,-2.7 -5,-0.2 5,-0.8 0.891 108.7 48.5 -64.7 -41.0 3.5 7.2 8.0 49 48 A I H X>S+ 0 0 0 -4,-2.1 4,-1.3 3,-0.2 5,-1.1 0.949 114.0 46.8 -61.4 -49.6 -0.2 7.5 8.3 50 49 A E H <5S+ 0 0 86 -4,-2.2 4,-0.3 3,-0.2 -2,-0.2 0.899 120.9 36.4 -62.7 -41.2 -0.4 10.1 5.6 51 50 A K H <5S+ 0 0 134 -4,-2.4 -2,-0.2 -5,-0.2 -3,-0.2 0.938 131.1 24.3 -79.0 -47.9 1.9 8.2 3.2 52 51 A F H <5S+ 0 0 52 -4,-2.7 -3,-0.2 -5,-0.2 -2,-0.2 0.830 128.4 39.9 -94.5 -35.7 1.0 4.6 3.8 53 52 A A T < S+ 0 0 102 1,-0.2 3,-2.9 2,-0.1 -40,-0.1 -0.081 77.4 5.8 -69.6 163.0 4.3 27.6 22.9 65 64 A E T 3 S- 0 0 189 1,-0.3 -1,-0.2 2,-0.0 -43,-0.1 0.768 140.0 -30.7 33.4 59.7 5.1 27.1 26.6 66 65 A G T 3 S- 0 0 35 -3,-0.4 -42,-2.9 -41,-0.2 -1,-0.3 0.163 109.5 -88.5 94.5 -16.6 6.8 23.7 26.4 67 66 A G < - 0 0 5 -3,-2.9 -45,-1.9 -45,-0.2 2,-0.3 0.273 35.6-142.5 92.8 147.5 4.9 22.5 23.4 68 67 A Y E +CD 21 62A 59 -6,-2.4 -6,-2.7 -47,-0.2 2,-0.4 -0.994 15.7 176.7-147.1 131.5 1.7 20.6 22.8 69 68 A L E +CD 20 61A 5 -49,-2.5 -49,-3.4 -2,-0.3 2,-0.4 -0.991 1.8 177.8-138.8 130.7 0.8 18.0 20.3 70 69 A M E -CD 19 60A 38 -10,-2.4 -10,-2.7 -2,-0.4 2,-0.4 -0.989 3.8-177.0-131.9 123.8 -2.5 16.1 19.9 71 70 A V E +CD 18 59A 1 -53,-2.5 -53,-2.3 -2,-0.4 2,-0.4 -0.979 6.2 179.9-120.9 132.7 -3.1 13.6 17.1 72 71 A E E -CD 17 58A 73 -14,-2.7 -14,-2.4 -2,-0.4 -55,-0.2 -0.986 24.4-126.3-135.1 143.2 -6.4 11.8 16.7 73 72 A I - 0 0 6 -57,-2.5 4,-0.0 -2,-0.4 9,-0.0 -0.718 36.3-103.6 -89.6 137.9 -7.7 9.2 14.2 74 73 A P > - 0 0 36 0, 0.0 3,-0.8 0, 0.0 -1,-0.1 -0.319 29.4-128.9 -56.0 142.2 -10.9 9.9 12.3 75 74 A K T 3 S+ 0 0 168 1,-0.2 2,-0.2 -3,-0.0 -2,-0.0 0.827 96.8 50.1 -66.9 -37.8 -13.8 7.9 13.7 76 75 A D T 3 S+ 0 0 156 6,-0.0 -1,-0.2 2,-0.0 6,-0.0 -0.161 73.4 162.1-102.0 40.7 -15.2 6.3 10.5 77 76 A L < - 0 0 10 -3,-0.8 5,-0.1 -2,-0.2 -4,-0.0 -0.336 41.2-116.6 -66.2 132.5 -12.0 4.8 9.0 78 77 A P >> - 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