==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=1-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER STRUCTURAL GENOMICS, UNKNOWN FUNCTION 31-AUG-06 2I7R . COMPND 2 MOLECULE: CONSERVED DOMAIN PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: STREPTOCOCCUS PNEUMONIAE; . AUTHOR N.E.C.DUKE,M.ZHOU,J.ABDULLAH,A.JOACHIMIAK,MIDWEST CENTER . 230 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11014.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 169 73.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 24 10.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 65 28.3 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 1.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 1.7 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 . 19 8.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 11 4.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 38 16.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 1.7 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 2 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 0 0 4 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 2 1 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 ANTIPARALLEL BRIDGES PER LADDER . 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 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 X 0 0 81 0, 0.0 2,-0.3 0, 0.0 183,-0.2 0.000 360.0 360.0 360.0 140.7 21.2 80.5 -16.2 2 2 A N E -A 183 0A 46 181,-1.5 181,-3.3 155,-0.2 2,-0.7 -0.885 360.0-142.3-148.8 105.3 21.3 79.0 -12.7 3 3 A L E +A 182 0A 2 153,-2.1 179,-0.2 -2,-0.3 155,-0.1 -0.660 42.1 154.9 -68.7 111.2 18.8 76.7 -11.0 4 4 A N E + 0 0 28 177,-2.0 40,-2.5 -2,-0.7 2,-0.3 0.548 47.7 30.9-122.7 -33.7 19.1 78.2 -7.6 5 5 A Q E -Ab 181 44A 36 176,-1.2 176,-2.8 38,-0.2 2,-0.4 -0.999 50.8-165.2-147.9 138.2 15.9 77.6 -5.6 6 6 A L E -Ab 180 45A 3 38,-1.7 40,-2.7 -2,-0.3 2,-0.4 -0.998 11.8-157.4-127.5 128.3 13.1 75.1 -5.5 7 7 A D E -Ab 179 46A 12 172,-2.5 172,-1.4 -2,-0.4 2,-0.5 -0.911 1.6-160.2-103.9 141.0 9.8 75.7 -3.7 8 8 A I E -Ab 178 47A 0 38,-2.6 40,-2.5 -2,-0.4 2,-0.6 -0.977 15.0-141.7-114.2 124.6 7.5 73.0 -2.5 9 9 A I E + b 0 48A 1 168,-2.9 49,-3.2 -2,-0.5 2,-0.3 -0.780 34.6 158.7 -91.1 122.1 3.9 74.1 -1.9 10 10 A V - 0 0 7 38,-1.8 3,-0.3 -2,-0.6 49,-0.1 -0.966 44.1-133.6-141.9 152.2 2.4 72.4 1.3 11 11 A S S S+ 0 0 84 -2,-0.3 2,-0.4 1,-0.2 38,-0.1 0.760 99.6 44.9 -81.4 -23.0 -0.5 73.2 3.7 12 12 A N > + 0 0 83 1,-0.2 4,-2.4 36,-0.1 3,-0.3 -0.606 61.6 168.2-127.2 72.7 1.4 72.7 6.9 13 13 A V H > S+ 0 0 0 -2,-0.4 4,-3.3 20,-0.4 5,-0.3 0.871 73.9 56.8 -52.7 -48.1 4.8 74.4 6.7 14 14 A P H > S+ 0 0 64 0, 0.0 4,-2.6 0, 0.0 -1,-0.2 0.916 113.8 39.5 -56.4 -41.3 5.7 74.1 10.4 15 15 A Q H > S+ 0 0 102 -3,-0.3 4,-2.6 2,-0.2 5,-0.2 0.920 117.7 46.9 -71.8 -45.4 5.4 70.3 10.4 16 16 A V H X S+ 0 0 14 -4,-2.4 4,-2.4 2,-0.2 -1,-0.2 0.925 115.4 49.5 -60.6 -39.3 6.9 69.7 7.0 17 17 A C H X S+ 0 0 7 -4,-3.3 4,-2.4 -5,-0.3 -2,-0.2 0.945 110.3 48.4 -63.3 -53.0 9.7 72.1 8.1 18 18 A A H X S+ 0 0 30 -4,-2.6 4,-1.5 -5,-0.3 -1,-0.2 0.900 113.6 47.9 -55.2 -44.3 10.3 70.4 11.4 19 19 A D H X S+ 0 0 59 -4,-2.6 4,-2.2 1,-0.2 -1,-0.2 0.904 110.0 51.6 -63.6 -45.6 10.4 67.0 9.6 20 20 A L H X S+ 0 0 1 -4,-2.4 4,-2.8 1,-0.2 5,-0.3 0.875 105.1 57.5 -61.2 -38.4 12.8 68.2 6.9 21 21 A E H X>S+ 0 0 40 -4,-2.4 4,-1.4 2,-0.2 5,-1.1 0.888 108.2 45.8 -58.9 -42.6 15.2 69.6 9.7 22 22 A H H <5S+ 0 0 110 -4,-1.5 -2,-0.2 2,-0.2 -1,-0.2 0.935 115.7 46.8 -66.4 -44.2 15.5 66.1 11.3 23 23 A I H <5S+ 0 0 5 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.910 121.2 35.9 -63.3 -42.0 16.1 64.5 7.9 24 24 A L H <5S- 0 0 3 -4,-2.8 -1,-0.2 2,-0.2 -2,-0.2 0.627 101.3-134.0 -86.5 -15.7 18.6 67.1 6.7 25 25 A D T <5S+ 0 0 111 -4,-1.4 2,-0.3 -5,-0.3 -3,-0.2 0.857 73.6 95.1 60.0 36.3 20.1 67.4 10.2 26 26 A K S -C 35 0A 83 3,-3.9 3,-0.6 -2,-0.3 -2,-0.0 -0.786 53.6 -89.7-132.5 170.5 7.1 81.3 9.4 33 33 A D T 3 S+ 0 0 138 -2,-0.2 -20,-0.4 1,-0.2 3,-0.1 0.790 131.2 23.1 -53.7 -26.8 3.6 79.8 9.8 34 34 A G T 3 S+ 0 0 24 1,-0.2 15,-2.5 -21,-0.1 16,-0.6 0.326 123.4 42.6-126.7 8.0 3.6 79.8 6.0 35 35 A F E < +CD 32 48A 63 -3,-0.6 -3,-3.9 13,-0.2 2,-0.3 -0.984 48.4 178.7-155.8 143.9 7.2 79.8 4.8 36 36 A A E -CD 31 47A 0 11,-1.7 11,-2.3 -2,-0.3 2,-0.5 -0.983 12.7-154.6-145.2 145.5 10.6 78.1 5.6 37 37 A Q E -CD 30 46A 55 -7,-2.6 -8,-2.3 -2,-0.3 -7,-1.1 -0.985 8.9-175.1-126.3 127.8 13.9 78.5 3.9 38 38 A F E - D 0 45A 0 7,-2.3 7,-2.4 -2,-0.5 2,-0.5 -0.932 13.7-151.5-115.3 142.1 16.7 75.9 3.8 39 39 A T E - D 0 44A 44 -2,-0.4 2,-0.4 5,-0.2 5,-0.2 -0.957 13.4-177.7-105.1 128.0 20.1 76.4 2.4 40 40 A I E > - D 0 43A 0 3,-3.3 79,-2.1 -2,-0.5 3,-0.9 -0.762 60.5 -67.7-127.6 87.5 21.7 73.2 1.2 41 41 A G T 3 S- 0 0 45 -2,-0.4 77,-0.2 1,-0.2 -1,-0.0 -0.609 119.0 -9.1 69.6-113.9 25.1 73.9 -0.1 42 42 A S T 3 S+ 0 0 60 -2,-0.6 2,-0.3 -3,-0.1 -1,-0.2 0.141 127.2 70.1 -99.8 12.0 24.7 76.0 -3.3 43 43 A H E < - D 0 40A 10 -3,-0.9 -3,-3.3 2,-0.0 2,-0.4 -0.972 66.3-143.3-136.8 142.4 20.9 75.6 -3.5 44 44 A C E -bD 5 39A 29 -40,-2.5 -38,-1.7 -2,-0.3 2,-0.4 -0.861 7.2-161.5-104.7 148.1 17.9 76.8 -1.5 45 45 A L E -bD 6 38A 0 -7,-2.4 -7,-2.3 -2,-0.4 2,-0.3 -0.979 11.2-167.5-127.8 116.4 14.8 74.9 -0.8 46 46 A X E -bD 7 37A 14 -40,-2.7 -38,-2.6 -2,-0.4 2,-0.5 -0.778 13.1-153.2 -99.9 149.0 11.6 76.8 0.3 47 47 A L E -bD 8 36A 0 -11,-2.3 -11,-1.7 -2,-0.3 2,-0.4 -0.969 23.6-179.2-109.7 134.4 8.4 75.5 1.8 48 48 A S E -bD 9 35A 15 -40,-2.5 -38,-1.8 -2,-0.5 -13,-0.2 -0.996 31.0-171.2-138.9 134.9 5.5 77.7 1.0 49 49 A Q S S+ 0 0 101 -15,-2.5 -1,-0.1 -2,-0.4 -14,-0.1 0.815 71.9 85.4 -84.6 -35.6 1.8 77.6 2.0 50 50 A N S S- 0 0 104 -16,-0.6 2,-0.9 1,-0.1 3,-0.1 -0.340 79.6-129.0 -66.6 142.3 0.9 80.5 -0.3 51 51 A H - 0 0 80 1,-0.2 -1,-0.1 -42,-0.1 -2,-0.1 -0.842 19.2-172.7 -91.1 103.8 0.2 80.0 -4.0 52 52 A L S S+ 0 0 80 -2,-0.9 -1,-0.2 1,-0.1 164,-0.1 0.909 80.9 6.7 -62.3 -41.0 2.4 82.4 -5.8 53 53 A V S S- 0 0 4 -3,-0.1 2,-0.4 150,-0.0 -1,-0.1 -0.834 109.6 -68.4-129.6 169.8 0.6 81.4 -9.0 54 54 A P S S+ 0 0 104 0, 0.0 2,-0.3 0, 0.0 -2,-0.0 -0.472 81.3 117.0 -61.8 119.2 -2.4 79.1 -9.5 55 55 A L - 0 0 23 -2,-0.4 2,-0.2 121,-0.1 121,-0.1 -0.962 57.1-101.2-166.9 176.6 -1.4 75.5 -8.6 56 56 A E - 0 0 97 -2,-0.3 -47,-0.2 1,-0.1 3,-0.1 -0.651 45.3 -85.3-105.2 162.6 -2.1 72.7 -6.2 57 57 A N - 0 0 58 -2,-0.2 119,-0.2 1,-0.1 -47,-0.2 -0.325 61.8 -85.3 -59.3 152.1 -0.2 71.5 -3.1 58 58 A F + 0 0 14 -49,-3.2 119,-0.2 119,-0.4 -1,-0.1 -0.383 51.0 169.2 -62.4 136.4 2.6 69.1 -3.9 59 59 A Q - 0 0 81 117,-0.8 2,-0.2 1,-0.4 -1,-0.2 0.660 50.0 -56.8-109.8 -74.7 1.5 65.5 -4.1 60 60 A S S S+ 0 0 18 113,-0.3 115,-0.9 116,-0.2 -1,-0.4 -0.840 78.5 98.6-153.8-174.3 4.3 63.3 -5.5 61 61 A G + 0 0 0 45,-0.3 64,-2.9 1,-0.3 113,-0.5 0.643 62.1 94.0 100.1 17.8 6.7 62.8 -8.4 62 62 A I E -H 124 0B 0 44,-0.3 46,-0.5 62,-0.2 2,-0.4 -0.969 47.5-156.6-135.8 157.9 10.1 64.3 -7.6 63 63 A I E -Hi 123 108B 2 60,-1.5 60,-2.7 -2,-0.3 2,-0.7 -0.998 11.6-154.5-127.3 127.6 13.4 63.2 -6.1 64 64 A I E -Hi 122 109B 1 44,-2.5 46,-2.6 -2,-0.4 2,-0.5 -0.923 15.6-154.5-102.1 110.0 15.6 65.8 -4.5 65 65 A H E -Hi 121 110B 9 56,-2.6 55,-1.3 -2,-0.7 56,-1.1 -0.790 9.1-168.8 -94.1 129.1 19.3 64.6 -4.8 66 66 A I E -Hi 119 111B 0 44,-3.9 46,-2.4 -2,-0.5 2,-0.4 -0.959 16.1-140.0-120.4 114.7 21.8 65.9 -2.2 67 67 A E E +Hi 118 112B 56 51,-3.2 51,-1.8 -2,-0.5 2,-0.3 -0.614 31.6 174.7 -75.2 127.1 25.4 65.2 -2.8 68 68 A V - 0 0 10 44,-2.8 3,-0.2 -2,-0.4 43,-0.0 -0.856 39.8-127.8-129.3 163.5 27.1 64.3 0.5 69 69 A E S S+ 0 0 186 -2,-0.3 2,-0.4 1,-0.2 -1,-0.1 0.844 100.3 29.8 -78.8 -35.8 30.6 63.2 1.7 70 70 A D > + 0 0 86 1,-0.1 4,-1.4 42,-0.1 -1,-0.2 -0.886 56.6 176.4-135.2 103.5 29.4 60.1 3.6 71 71 A V H > S+ 0 0 0 -2,-0.4 4,-2.3 -3,-0.2 -1,-0.1 0.876 84.5 52.6 -70.0 -40.7 26.3 58.2 2.6 72 72 A D H > S+ 0 0 79 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.869 105.6 53.1 -69.7 -38.4 26.6 55.5 5.2 73 73 A Q H > S+ 0 0 96 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.909 109.9 48.8 -61.3 -42.5 26.9 57.9 8.1 74 74 A N H X S+ 0 0 25 -4,-1.4 4,-2.9 2,-0.2 -2,-0.2 0.912 109.4 55.4 -59.4 -41.7 23.7 59.6 6.9 75 75 A Y H X S+ 0 0 71 -4,-2.3 4,-2.4 2,-0.2 -2,-0.2 0.934 108.2 45.2 -53.1 -54.3 22.1 56.2 6.7 76 76 A K H X S+ 0 0 116 -4,-2.3 4,-2.3 1,-0.2 -1,-0.2 0.904 113.4 51.3 -57.6 -46.0 23.0 55.4 10.3 77 77 A R H X S+ 0 0 37 -4,-2.2 4,-1.4 1,-0.2 -2,-0.2 0.940 112.9 45.0 -57.0 -50.2 21.7 58.8 11.4 78 78 A L H X>S+ 0 0 0 -4,-2.9 5,-2.0 1,-0.2 4,-0.8 0.826 110.4 53.3 -66.7 -36.6 18.4 58.3 9.6 79 79 A N H ><5S+ 0 0 80 -4,-2.4 3,-0.7 1,-0.2 -1,-0.2 0.896 107.5 51.5 -65.2 -44.1 17.9 54.7 10.8 80 80 A E H 3<5S+ 0 0 148 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.821 109.1 53.1 -61.4 -32.2 18.3 55.8 14.4 81 81 A L H 3<5S- 0 0 84 -4,-1.4 -1,-0.2 -5,-0.2 -2,-0.2 0.659 112.5-119.3 -75.7 -19.5 15.7 58.6 13.7 82 82 A G T <<5 + 0 0 64 -4,-0.8 2,-0.2 -3,-0.7 -3,-0.2 0.675 54.7 160.4 85.3 17.5 13.1 56.1 12.4 83 83 A I < - 0 0 41 -5,-2.0 2,-0.5 1,-0.1 -1,-0.2 -0.512 49.4-103.4 -71.0 139.0 12.9 57.7 8.9 84 84 A K - 0 0 139 18,-0.3 18,-3.1 -2,-0.2 2,-0.6 -0.518 33.1-155.0 -66.3 115.6 11.5 55.5 6.1 85 85 A V E -J 101 0B 25 -2,-0.5 16,-0.3 16,-0.2 3,-0.2 -0.859 11.7-174.4 -93.5 119.4 14.4 54.3 4.0 86 86 A L E S+ 0 0 38 14,-2.3 2,-0.3 -2,-0.6 15,-0.2 0.759 77.7 9.0 -85.2 -31.1 13.2 53.5 0.5 87 87 A H E S-J 100 0B 95 13,-1.6 13,-2.2 82,-0.1 -1,-0.3 -0.876 80.9-135.9-154.2 117.2 16.5 52.0 -0.9 88 88 A G E - 0 0 24 -2,-0.3 12,-0.2 1,-0.2 10,-0.1 -0.008 56.7 -53.7 -69.0 174.8 19.4 51.4 1.6 89 89 A P E S+ 0 0 34 0, 0.0 2,-0.3 0, 0.0 -1,-0.2 -0.329 72.1 164.4 -60.5 134.1 22.9 52.4 0.5 90 90 A T E -J 98 0B 64 8,-1.8 8,-2.7 -3,-0.2 2,-0.3 -0.950 22.3-143.5-139.7 163.4 23.7 50.9 -2.9 91 91 A V E -J 97 0B 95 -2,-0.3 6,-0.2 6,-0.3 2,-0.2 -0.952 8.5-132.8-131.2 147.1 26.3 51.7 -5.5 92 92 A T > - 0 0 64 4,-1.4 3,-2.8 -2,-0.3 4,-0.1 -0.609 38.7-102.6 -88.4 161.7 26.5 51.7 -9.3 93 93 A D T 3 S+ 0 0 148 1,-0.3 -1,-0.1 -2,-0.2 -2,-0.0 0.711 124.3 58.5 -55.0 -17.5 29.3 50.0 -11.2 94 94 A W T 3 S- 0 0 171 2,-0.1 21,-0.6 21,-0.0 -1,-0.3 0.275 125.1 -99.9 -97.2 11.4 30.6 53.6 -11.7 95 95 A G S < S+ 0 0 22 -3,-2.8 2,-0.9 1,-0.2 -2,-0.1 0.687 71.1 147.4 85.8 18.1 30.9 54.3 -8.0 96 96 A T - 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