==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=10-MAY-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER STRUCTURAL GENOMICS, UNKNOWN FUNCTION 29-APR-13 2M7O . COMPND 2 MOLECULE: UNCHARACTERIZED PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: STREPTOCOCCUS PNEUMONIAE; . AUTHOR A.PROUDFOOT,P.SERRANO,M.GERALT,K.WUTHRICH,JOINT CENTER FOR S . 70 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 5861.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 47 67.1 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 . 21 30.0 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 1.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 1 1.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 1.4 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 . 10 14.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 4 5.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 11 15.7 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 0 0 0 0 0 1 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 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 . 0 3 1 0 0 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 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 0 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 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 G 0 0 115 0, 0.0 2,-0.7 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 117.2 32.7 2.8 1.7 2 2 A D + 0 0 164 1,-0.1 3,-0.1 2,-0.0 2,-0.1 -0.826 360.0 125.9-132.1 84.6 29.0 2.4 1.6 3 3 A D + 0 0 157 -2,-0.7 -1,-0.1 1,-0.1 0, 0.0 -0.670 53.9 85.3-139.8 63.6 27.2 1.1 -1.5 4 4 A R + 0 0 232 -2,-0.1 2,-0.6 2,-0.0 -1,-0.1 0.125 46.1 140.9-149.8 18.2 25.2 -1.9 -0.3 5 5 A K - 0 0 210 -3,-0.1 2,-0.5 1,-0.0 -3,-0.0 -0.608 33.2-165.3 -70.2 111.1 22.0 -0.3 1.0 6 6 A L - 0 0 161 -2,-0.6 2,-0.1 1,-0.0 -2,-0.0 -0.900 9.2-178.4-102.7 129.0 19.2 -2.6 -0.1 7 7 A M - 0 0 70 -2,-0.5 33,-0.1 1,-0.3 30,-0.0 -0.276 32.0 -69.7-111.5-168.8 15.6 -1.2 0.0 8 8 A K - 0 0 73 31,-0.1 -1,-0.3 28,-0.1 2,-0.3 0.092 42.8-133.8 -72.0-171.6 12.1 -2.6 -0.7 9 9 A T > - 0 0 59 1,-0.0 4,-2.7 31,-0.0 5,-0.3 -0.900 31.2-100.4-137.5 172.2 10.6 -3.6 -4.1 10 10 A Q H > S+ 0 0 94 -2,-0.3 4,-0.7 2,-0.2 5,-0.1 0.749 128.1 52.2 -66.9 -25.0 7.3 -3.0 -6.0 11 11 A E H > S+ 0 0 130 3,-0.1 4,-3.1 2,-0.1 3,-0.2 0.980 112.1 42.2 -63.1 -64.7 6.6 -6.6 -4.7 12 12 A E H > S+ 0 0 80 1,-0.2 4,-2.5 2,-0.2 -2,-0.2 0.879 112.7 49.3 -61.7 -48.8 7.4 -5.9 -1.1 13 13 A L H X S+ 0 0 0 -4,-2.7 4,-1.5 1,-0.2 -1,-0.2 0.900 119.0 42.0 -58.7 -38.5 5.6 -2.5 -0.6 14 14 A T H X S+ 0 0 20 -4,-0.7 4,-3.0 -5,-0.3 -2,-0.2 0.912 111.2 55.1 -71.7 -43.3 2.5 -4.0 -2.3 15 15 A E H X S+ 0 0 80 -4,-3.1 4,-2.8 2,-0.2 5,-0.2 0.834 106.4 52.8 -61.9 -33.7 2.9 -7.3 -0.3 16 16 A I H X S+ 0 0 37 -4,-2.5 4,-2.2 2,-0.2 -1,-0.2 0.988 114.6 40.2 -59.6 -60.4 2.8 -5.3 3.0 17 17 A V H X S+ 0 0 1 -4,-1.5 4,-2.2 1,-0.2 -2,-0.2 0.855 119.7 46.5 -59.0 -39.9 -0.4 -3.5 2.0 18 18 A R H X S+ 0 0 122 -4,-3.0 4,-2.4 2,-0.2 -1,-0.2 0.950 111.0 49.9 -70.4 -49.9 -1.9 -6.7 0.5 19 19 A D H < S+ 0 0 120 -4,-2.8 4,-0.3 1,-0.2 -2,-0.2 0.845 112.8 51.8 -58.6 -33.5 -1.0 -9.0 3.4 20 20 A H H >< S+ 0 0 82 -4,-2.2 3,-1.7 -5,-0.2 -2,-0.2 0.979 112.9 39.3 -65.8 -60.3 -2.5 -6.3 5.7 21 21 A F H >X S+ 0 0 18 -4,-2.2 3,-2.1 1,-0.3 4,-0.7 0.785 102.6 70.2 -73.0 -21.5 -5.9 -5.9 4.1 22 22 A S T 3< S+ 0 0 55 -4,-2.4 -1,-0.3 1,-0.3 -2,-0.2 0.718 99.3 52.8 -59.2 -18.6 -6.2 -9.7 3.4 23 23 A D T <4 S+ 0 0 145 -3,-1.7 -1,-0.3 -4,-0.3 -2,-0.2 0.267 112.2 44.4 -98.3 6.1 -6.6 -9.9 7.2 24 24 A M T <4 S- 0 0 111 -3,-2.1 2,-0.3 1,-0.3 -2,-0.2 0.299 124.3 -56.1-135.9 2.1 -9.5 -7.3 7.2 25 25 A G < - 0 0 34 -4,-0.7 2,-0.4 -3,-0.1 -1,-0.3 -0.993 68.7 -51.7 154.9-150.6 -11.7 -8.4 4.2 26 26 A E - 0 0 151 -2,-0.3 23,-0.9 -3,-0.1 2,-0.4 -0.990 39.7-140.2-133.7 130.7 -11.6 -9.1 0.5 27 27 A I E -A 48 0A 45 -2,-0.4 21,-0.3 21,-0.2 3,-0.2 -0.700 12.6-168.8 -95.6 132.3 -10.3 -7.0 -2.4 28 28 A A E S+ 0 0 43 19,-2.6 2,-0.3 -2,-0.4 20,-0.2 0.871 84.8 4.1 -74.3 -49.3 -12.0 -6.6 -5.8 29 29 A T E -A 47 0A 77 18,-1.8 18,-1.9 2,-0.0 2,-0.4 -0.988 61.2-174.5-145.7 132.4 -8.9 -4.9 -7.2 30 30 A L + 0 0 49 -2,-0.3 2,-0.3 16,-0.2 16,-0.1 -0.945 25.2 136.8-119.4 140.8 -5.4 -4.1 -5.8 31 31 A Y - 0 0 98 -2,-0.4 2,-0.4 14,-0.3 -2,-0.0 -0.921 46.0-115.5-161.0 178.1 -2.9 -2.0 -7.8 32 32 A V - 0 0 31 -2,-0.3 12,-0.3 1,-0.1 3,-0.1 -0.976 15.0-172.3-123.4 139.2 -0.4 0.8 -7.1 33 33 A Q S S+ 0 0 136 10,-2.0 2,-0.3 -2,-0.4 11,-0.2 0.463 82.5 24.6-101.6 -3.0 -0.9 4.2 -8.6 34 34 A V E -B 43 0A 71 9,-1.0 9,-1.1 7,-0.0 2,-0.4 -0.913 68.9-173.4-169.4 116.1 2.5 5.5 -7.3 35 35 A Y E -B 42 0A 81 -2,-0.3 2,-0.9 -3,-0.1 7,-0.1 -0.998 15.3-146.8-130.0 131.6 5.6 3.4 -6.4 36 36 A E + 0 0 43 5,-0.7 3,-0.3 -2,-0.4 5,-0.3 -0.839 20.6 172.0-100.0 97.6 8.8 4.5 -4.8 37 37 A S S S+ 0 0 76 -2,-0.9 -1,-0.1 1,-0.2 -30,-0.1 0.300 89.7 48.9 -74.9 5.7 11.8 2.5 -6.0 38 38 A S S S+ 0 0 101 1,-0.1 2,-0.2 -31,-0.0 -1,-0.2 0.457 120.7 21.1-123.8 -12.4 13.7 5.2 -4.0 39 39 A L S S- 0 0 116 -3,-0.3 2,-0.5 2,-0.1 -31,-0.1 -0.759 84.6-102.7-143.8-176.5 11.8 5.2 -0.7 40 40 A E S S+ 0 0 85 -2,-0.2 20,-1.0 -3,-0.1 2,-0.3 -0.760 71.1 120.5-122.2 79.5 9.6 2.7 1.2 41 41 A S E - C 0 59A 28 -2,-0.5 -5,-0.7 -5,-0.3 2,-0.3 -0.911 38.8-163.3-138.2 159.2 6.0 4.1 0.6 42 42 A L E +BC 35 58A 2 16,-1.4 16,-1.8 -2,-0.3 2,-0.3 -0.866 12.8 164.2-153.7 121.6 2.8 2.8 -1.1 43 43 A V E +BC 34 57A 50 -9,-1.1 -10,-2.0 -2,-0.3 -9,-1.0 -0.994 29.7 111.5-133.7 143.9 -0.4 4.5 -2.3 44 44 A G - 0 0 2 12,-0.7 -13,-0.1 -2,-0.3 13,-0.1 0.303 64.7-126.8 178.0 18.2 -3.2 3.3 -4.6 45 45 A G - 0 0 4 11,-0.7 -14,-0.3 1,-0.1 10,-0.3 -0.155 29.4-108.8 47.3-153.7 -6.3 2.9 -2.4 46 46 A V E - D 0 54A 0 8,-1.5 8,-2.2 -16,-0.1 2,-0.5 -0.857 17.2-142.7-169.7 141.0 -8.0 -0.5 -2.5 47 47 A I E -AD 29 53A 48 -18,-1.9 -19,-2.6 -2,-0.3 -18,-1.8 -0.956 14.2-155.3-116.7 120.4 -11.4 -1.5 -4.0 48 48 A F E > -A 27 0A 18 4,-0.7 3,-1.4 -2,-0.5 4,-0.4 -0.689 26.0-120.9 -89.8 156.8 -13.5 -4.2 -2.2 49 49 A E T 3 S+ 0 0 155 -23,-0.9 -22,-0.1 -2,-0.3 -1,-0.1 0.826 112.1 62.2 -58.6 -32.6 -16.1 -6.4 -4.0 50 50 A D T 3 S- 0 0 141 -24,-0.3 -1,-0.3 2,-0.1 -23,-0.1 0.409 124.3 -97.5 -83.9 -0.9 -18.8 -4.9 -1.6 51 51 A G S < S+ 0 0 70 -3,-1.4 2,-0.3 1,-0.2 -2,-0.1 0.953 76.8 136.0 84.1 59.1 -18.3 -1.3 -2.9 52 52 A R - 0 0 113 -4,-0.4 -4,-0.7 2,-0.1 2,-0.6 -0.836 29.8-172.8-136.9 86.8 -15.9 0.2 -0.3 53 53 A H E +D 47 0A 69 -2,-0.3 15,-2.2 -6,-0.2 2,-0.4 -0.805 11.0 178.0 -84.4 122.3 -13.1 2.3 -2.0 54 54 A Y E -DE 46 67A 59 -8,-2.2 -8,-1.5 -2,-0.6 13,-0.2 -0.960 26.4-131.4-120.4 143.0 -10.6 3.4 0.6 55 55 A T E - E 0 66A 58 11,-2.5 11,-1.3 -2,-0.4 2,-0.3 -0.544 26.4-165.6 -79.1 157.1 -7.3 5.4 0.1 56 56 A F E - E 0 65A 5 9,-0.2 -12,-0.7 -2,-0.2 -11,-0.7 -0.969 12.3-176.9-151.7 128.9 -4.3 3.9 1.8 57 57 A V E -CE 43 64A 47 7,-2.7 7,-2.0 -2,-0.3 2,-0.7 -0.948 7.5-166.9-136.6 108.5 -0.9 5.5 2.5 58 58 A Y E +CE 42 63A 48 -16,-1.8 -16,-1.4 -2,-0.4 2,-0.5 -0.928 16.0 174.5 -89.5 111.4 1.9 3.4 4.1 59 59 A E E > -CE 41 62A 93 3,-2.9 2,-2.4 -2,-0.7 3,-2.4 -0.923 63.6 -61.2-125.4 98.3 4.5 6.1 5.1 60 60 A N T 3 S- 0 0 114 -20,-1.0 3,-0.1 -2,-0.5 -2,-0.0 -0.365 122.7 -19.6 66.2 -71.3 7.4 4.5 7.1 61 61 A E T 3 S+ 0 0 169 -2,-2.4 2,-0.8 1,-0.0 -1,-0.3 0.351 116.4 96.5-146.2 -14.3 5.2 3.2 10.1 62 62 A D E < -E 59 0A 99 -3,-2.4 -3,-2.9 1,-0.0 2,-0.8 -0.789 50.8-172.9 -80.8 110.7 2.0 5.4 9.7 63 63 A L E +E 58 0A 48 -2,-0.8 -5,-0.2 -5,-0.2 2,-0.2 -0.790 18.7 177.7-102.9 83.2 -0.4 3.2 7.7 64 64 A V E +E 57 0A 54 -7,-2.0 -7,-2.7 -2,-0.8 2,-0.3 -0.522 5.6 167.2 -82.9 155.8 -3.1 5.9 7.3 65 65 A Y E +E 56 0A 146 -9,-0.2 2,-0.3 -2,-0.2 -9,-0.2 -0.968 8.3 173.8-157.4 164.5 -6.3 5.3 5.3 66 66 A E E -E 55 0A 141 -11,-1.3 -11,-2.5 -2,-0.3 2,-0.1 -0.959 41.0 -81.2-164.1 167.1 -9.7 7.0 4.7 67 67 A E E -E 54 0A 122 -2,-0.3 2,-0.8 -13,-0.2 -13,-0.3 -0.498 45.8-113.7 -68.1 145.0 -12.9 6.6 2.5 68 68 A E + 0 0 78 -15,-2.2 2,-0.3 -2,-0.1 -15,-0.2 -0.790 53.7 154.2 -79.5 109.5 -12.6 7.9 -1.0 69 69 A V 0 0 105 -2,-0.8 -2,-0.0 1,-0.1 -15,-0.0 -0.947 360.0 360.0-139.7 114.3 -15.2 10.8 -1.0 70 70 A L 0 0 202 -2,-0.3 -1,-0.1 0, 0.0 -2,-0.0 0.751 360.0 360.0-101.1 360.0 -14.7 13.8 -3.4