==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=17-APR-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER CELL ADHESION 15-JUL-10 3NZ3 . COMPND 2 MOLECULE: PUTATIVE UNCHARACTERIZED PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: STREPTOCOCCUS PNEUMONIAE; . AUTHOR Y.DU,Y.-X.HE,Z.-Y.ZHANG,Y.-H.YANG,W.-W.SHI,C.FROLET,A.M.GUIL . 100 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 7071.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 55 55.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 8 8.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 31 31.0 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 2.0 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 . 10 10.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 2 2.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 2 2.0 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+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 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 0 0 0 0 PARALLEL BRIDGES PER LADDER . 1 1 2 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 ANTIPARALLEL BRIDGES PER LADDER . 2 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 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 5 A T 0 0 139 0, 0.0 2,-0.5 0, 0.0 41,-0.2 0.000 360.0 360.0 360.0 75.3 27.3 47.2 68.5 2 6 A A E -A 41 0A 48 39,-2.9 39,-2.1 2,-0.0 2,-0.4 -0.765 360.0-153.1 -89.4 124.8 30.3 46.5 66.3 3 7 A T E +A 40 0A 100 -2,-0.5 2,-0.3 37,-0.2 37,-0.2 -0.803 24.0 154.5-101.1 134.9 29.8 43.8 63.7 4 8 A S E -A 39 0A 54 35,-2.3 35,-3.1 -2,-0.4 2,-0.4 -0.901 33.3-120.1-143.7 176.3 32.6 41.7 62.2 5 9 A T E -A 38 0A 96 -2,-0.3 2,-0.4 33,-0.2 33,-0.2 -0.970 11.6-154.5-125.7 134.7 32.9 38.2 60.6 6 10 A E E -A 37 0A 75 31,-2.8 31,-2.2 -2,-0.4 2,-0.3 -0.908 18.3-176.7-102.5 136.8 34.9 35.2 61.7 7 11 A T E -A 36 0A 88 -2,-0.4 2,-0.3 29,-0.2 29,-0.2 -0.972 8.5-179.8-130.7 149.9 35.9 32.6 59.1 8 12 A K E -A 35 0A 80 27,-1.9 27,-2.4 -2,-0.3 2,-0.4 -0.989 19.3-135.0-144.6 151.5 37.7 29.3 59.2 9 13 A T E -A 34 0A 72 -2,-0.3 2,-0.4 25,-0.2 25,-0.2 -0.905 12.5-170.1-112.6 131.5 38.7 26.8 56.5 10 14 A I E -A 33 0A 7 23,-2.8 23,-2.3 -2,-0.4 2,-0.4 -0.990 17.7-163.8-120.0 128.2 38.2 23.0 56.8 11 15 A T E -A 32 0A 31 -2,-0.4 78,-2.1 21,-0.2 2,-0.5 -0.914 19.1-159.9-126.3 136.9 39.9 21.0 54.0 12 16 A R E -Ab 31 89A 6 19,-1.8 19,-2.7 -2,-0.4 2,-0.5 -0.966 13.9-165.6-108.5 129.1 39.8 17.5 52.6 13 17 A I E -Ab 30 90A 44 76,-2.7 78,-2.8 -2,-0.5 2,-0.5 -0.948 3.9-158.9-112.1 132.6 42.8 16.2 50.6 14 18 A I E -Ab 29 91A 0 15,-2.6 15,-2.1 -2,-0.5 2,-0.3 -0.953 8.7-164.2-109.4 125.7 42.6 13.2 48.4 15 19 A H E - b 0 92A 36 76,-3.5 78,-3.3 -2,-0.5 2,-0.5 -0.822 7.0-153.8-104.3 150.6 45.9 11.4 47.6 16 20 A Y E +Ab 26 93A 0 10,-0.5 9,-2.4 -2,-0.3 10,-1.0 -0.972 27.5 165.5-127.6 112.5 46.3 8.9 44.8 17 21 A V E -Ab 24 94A 7 76,-2.6 78,-2.9 -2,-0.5 2,-0.4 -0.850 44.7 -98.0-129.5 159.7 49.2 6.4 45.3 18 22 A D E > - b 0 95A 12 5,-2.4 4,-2.0 -2,-0.3 78,-0.2 -0.665 37.1-133.0 -69.9 126.5 50.6 3.1 44.1 19 23 A K T 4 S+ 0 0 129 76,-3.7 77,-0.2 -2,-0.4 -1,-0.1 0.821 100.0 28.9 -50.4 -38.2 49.4 0.4 46.6 20 24 A V T 4 S+ 0 0 112 75,-0.4 -1,-0.2 1,-0.1 76,-0.1 0.914 129.4 32.0 -92.6 -52.5 52.9 -1.1 46.9 21 25 A T T 4 S- 0 0 86 2,-0.1 -2,-0.2 1,-0.0 3,-0.1 0.669 88.7-137.1 -86.7 -19.3 55.5 1.7 46.3 22 26 A N < + 0 0 102 -4,-2.0 2,-0.2 1,-0.3 -3,-0.1 0.557 50.1 149.7 70.1 10.6 53.4 4.6 47.7 23 27 A Q - 0 0 134 1,-0.1 -5,-2.4 -6,-0.1 2,-0.4 -0.506 56.6-107.2 -69.4 139.2 54.4 6.9 44.8 24 28 A N E -A 17 0A 89 -7,-0.2 -7,-0.3 -2,-0.2 -1,-0.1 -0.601 35.1-177.1 -72.0 125.5 51.8 9.4 43.9 25 29 A V E + 0 0 36 -9,-2.4 2,-0.3 -2,-0.4 -8,-0.2 0.488 67.5 23.8-104.4 -7.8 50.2 8.4 40.6 26 30 A K E S-A 16 0A 66 -10,-1.0 -10,-0.5 40,-0.0 -1,-0.1 -0.954 94.3 -84.9-147.3 160.0 47.9 11.4 40.3 27 31 A E E - 0 0 178 -2,-0.3 -2,-0.1 1,-0.1 -13,-0.0 -0.392 52.9-100.5 -62.6 143.9 47.8 15.0 41.5 28 32 A D E - 0 0 70 -13,-0.1 2,-0.5 -2,-0.1 -13,-0.2 -0.335 28.2-136.0 -56.9 145.4 46.3 15.6 45.0 29 33 A V E -A 14 0A 45 -15,-2.1 -15,-2.6 -3,-0.1 2,-0.5 -0.964 20.3-163.2-105.5 121.9 42.7 16.9 45.0 30 34 A V E -A 13 0A 87 -2,-0.5 -17,-0.2 -17,-0.2 -19,-0.0 -0.931 7.8-173.3-112.2 125.0 42.4 19.7 47.6 31 35 A Q E -A 12 0A 26 -19,-2.7 -19,-1.8 -2,-0.5 2,-0.4 -0.795 5.7-175.5-122.5 87.2 38.9 20.7 48.8 32 36 A P E -A 11 0A 82 0, 0.0 2,-0.5 0, 0.0 -21,-0.2 -0.661 4.3-168.6 -85.6 133.8 38.8 23.8 51.0 33 37 A V E -A 10 0A 20 -23,-2.3 -23,-2.8 -2,-0.4 2,-0.7 -0.990 6.5-157.0-121.8 125.5 35.5 24.9 52.6 34 38 A T E -A 9 0A 85 -2,-0.5 -25,-0.2 -25,-0.2 2,-0.2 -0.885 11.6-170.6-109.4 108.4 35.4 28.3 54.3 35 39 A L E -A 8 0A 2 -27,-2.4 -27,-1.9 -2,-0.7 2,-0.3 -0.556 4.5-164.2 -93.6 159.7 32.7 28.7 56.9 36 40 A S E -A 7 0A 38 -29,-0.2 18,-1.8 -2,-0.2 2,-0.3 -0.971 13.3-174.9-143.1 156.4 31.7 32.0 58.6 37 41 A R E -A 6 0A 53 -31,-2.2 -31,-2.8 -2,-0.3 2,-0.2 -0.985 30.4-110.8-146.8 152.9 29.8 33.5 61.5 38 42 A T E -A 5 0A 68 14,-0.4 13,-2.5 -2,-0.3 2,-0.4 -0.596 24.3-156.7 -82.8 143.4 28.9 37.0 62.6 39 43 A K E -AC 4 50A 62 -35,-3.1 -35,-2.3 -2,-0.2 2,-0.5 -0.993 8.1-170.9-120.4 126.8 30.5 38.5 65.7 40 44 A T E -AC 3 49A 40 9,-2.9 9,-3.1 -2,-0.4 2,-0.4 -0.982 3.7-174.5-120.8 127.1 28.7 41.3 67.5 41 45 A E E -AC 2 48A 49 -39,-2.1 -39,-2.9 -2,-0.5 2,-0.7 -0.987 22.8-145.9-125.3 126.4 30.4 43.2 70.3 42 46 A N > - 0 0 68 5,-2.7 4,-2.0 -2,-0.4 5,-0.2 -0.822 16.7-159.7 -78.9 114.5 29.0 45.9 72.6 43 47 A K T 4 S+ 0 0 147 -2,-0.7 -1,-0.1 2,-0.2 5,-0.0 0.690 86.0 51.0 -76.7 -16.7 32.1 48.1 73.0 44 48 A V T 4 S+ 0 0 141 1,-0.1 -1,-0.2 3,-0.1 -2,-0.0 0.914 123.9 25.4 -82.3 -49.5 30.7 49.7 76.2 45 49 A T T 4 S- 0 0 93 2,-0.1 -2,-0.2 0, 0.0 3,-0.1 0.651 98.3-131.4 -87.6 -19.3 29.8 46.5 78.1 46 50 A G < + 0 0 42 -4,-2.0 2,-0.3 1,-0.3 -3,-0.2 0.511 52.0 154.0 79.4 5.3 32.3 44.3 76.3 47 51 A V - 0 0 86 -5,-0.2 -5,-2.7 -6,-0.1 2,-0.5 -0.536 26.6-162.0 -73.6 124.5 29.6 41.7 75.7 48 52 A V E -C 41 0A 53 -2,-0.3 2,-0.4 -7,-0.2 -7,-0.2 -0.930 7.2-173.3-111.9 126.7 30.3 39.5 72.6 49 53 A T E -C 40 0A 82 -9,-3.1 -9,-2.9 -2,-0.5 2,-0.4 -0.961 8.2-153.8-119.5 141.2 27.6 37.5 70.8 50 54 A Y E -C 39 0A 105 -2,-0.4 -11,-0.2 -11,-0.2 3,-0.1 -0.908 5.9-142.2-114.4 139.8 28.2 35.0 68.0 51 55 A G - 0 0 35 -13,-2.5 2,-0.1 -2,-0.4 -11,-0.0 -0.270 41.2 -75.9 -82.9 178.5 25.8 33.9 65.3 52 56 A E - 0 0 178 1,-0.1 -14,-0.4 -2,-0.1 2,-0.2 -0.422 49.8-111.4 -71.9 151.6 25.6 30.3 63.9 53 57 A W - 0 0 44 -16,-0.1 -16,-0.2 1,-0.1 -1,-0.1 -0.530 28.7-116.0 -77.8 150.8 28.3 29.1 61.4 54 58 A T - 0 0 67 -18,-1.8 2,-0.3 -2,-0.2 30,-0.3 -0.193 29.8-129.4 -70.7 173.8 27.5 28.5 57.8 55 59 A T - 0 0 91 28,-0.1 28,-0.2 -21,-0.1 2,-0.2 -0.905 23.9-178.7-126.6 160.6 27.8 24.9 56.4 56 60 A G E -D 82 0B 21 26,-3.0 26,-2.6 -2,-0.3 2,-0.3 -0.670 16.6-127.4-140.9-164.6 29.5 23.5 53.3 57 61 A N E -D 81 0B 74 24,-0.3 2,-0.6 -2,-0.2 24,-0.2 -0.965 10.3-138.7-157.3 129.8 30.1 20.3 51.4 58 62 A W E -D 80 0B 1 22,-2.9 22,-2.2 -2,-0.3 3,-0.1 -0.873 40.9-125.4 -86.2 122.7 33.2 18.5 50.0 59 63 A D - 0 0 104 -2,-0.6 2,-0.1 20,-0.2 18,-0.0 -0.265 24.4 -93.6 -69.8 154.0 32.1 17.3 46.5 60 64 A E - 0 0 102 19,-0.1 2,-0.4 16,-0.0 18,-0.2 -0.377 38.1-157.5 -57.6 140.2 32.3 13.8 45.3 61 65 A V E -E 77 0C 24 16,-2.7 16,-3.0 -3,-0.1 2,-0.3 -0.947 6.4-145.6-129.0 112.6 35.5 12.9 43.4 62 66 A I E -E 76 0C 122 -2,-0.4 2,-0.7 14,-0.3 14,-0.3 -0.590 20.1-128.1 -72.8 128.7 35.6 10.0 41.0 63 67 A S - 0 0 3 12,-2.7 -1,-0.1 -2,-0.3 -2,-0.0 -0.734 30.3-135.6 -79.9 114.2 38.9 8.2 41.0 64 68 A G - 0 0 28 -2,-0.7 2,-0.2 1,-0.1 -1,-0.0 -0.193 18.1-100.7 -70.0 160.3 40.0 8.1 37.3 65 69 A K - 0 0 160 6,-0.1 2,-0.4 7,-0.0 -1,-0.1 -0.555 34.1-154.9 -75.7 145.7 41.5 5.1 35.6 66 70 A I > - 0 0 36 4,-0.3 3,-1.7 -2,-0.2 -40,-0.0 -0.994 21.1-112.3-125.6 130.8 45.3 5.1 35.1 67 71 A D T 3 S+ 0 0 136 -2,-0.4 3,-0.1 1,-0.2 30,-0.0 -0.301 102.8 25.1 -59.1 141.4 47.1 3.1 32.4 68 72 A K T 3 S+ 0 0 155 1,-0.2 30,-2.2 29,-0.1 2,-0.3 0.294 109.5 96.2 84.9 -4.3 49.2 0.2 33.7 69 73 A Y B < S-F 97 0D 49 -3,-1.7 28,-0.3 28,-0.3 -1,-0.2 -0.865 72.5-122.0-119.9 148.6 47.0 -0.0 36.8 70 74 A K - 0 0 79 26,-3.2 -4,-0.3 -2,-0.3 28,-0.1 -0.169 59.8 -66.9 -65.6 173.6 44.1 -2.1 38.0 71 75 A D - 0 0 119 1,-0.1 25,-0.3 24,-0.1 -1,-0.2 -0.421 66.5 -96.5 -63.2 142.7 40.9 -0.3 39.0 72 76 A P - 0 0 14 0, 0.0 23,-0.2 0, 0.0 -1,-0.1 -0.197 22.0-121.9 -61.0 153.1 41.4 1.8 42.2 73 77 A D S S+ 0 0 90 21,-2.2 22,-0.1 1,-0.2 20,-0.1 0.815 110.9 41.6 -62.5 -31.3 40.4 0.4 45.6 74 78 A I S S- 0 0 57 20,-0.2 -1,-0.2 1,-0.1 3,-0.1 -0.923 70.4-172.9-118.5 99.8 38.1 3.4 46.0 75 79 A P S S+ 0 0 88 0, 0.0 -12,-2.7 0, 0.0 2,-0.3 0.822 75.5 11.3 -64.3 -30.7 36.3 4.1 42.7 76 80 A T E -E 62 0C 29 -14,-0.3 2,-0.6 -4,-0.0 -14,-0.3 -0.981 66.2-136.2-151.1 135.8 34.8 7.4 44.1 77 81 A V E -E 61 0C 4 -16,-3.0 -16,-2.7 -2,-0.3 -63,-0.0 -0.840 39.5-124.1 -89.1 121.1 35.3 9.5 47.2 78 82 A E - 0 0 127 -2,-0.6 2,-0.1 -18,-0.2 -20,-0.1 -0.227 20.3-103.5 -69.3 151.6 31.8 10.5 48.4 79 83 A S - 0 0 65 -19,-0.1 2,-0.4 -22,-0.0 -20,-0.2 -0.400 41.1-160.4 -65.6 151.5 30.6 14.0 49.0 80 84 A Q E -D 58 0B 57 -22,-2.2 -22,-2.9 -2,-0.1 2,-0.1 -0.991 19.0-117.4-143.4 133.1 30.5 15.0 52.7 81 85 A E E -D 57 0B 124 -2,-0.4 2,-0.5 -24,-0.2 -24,-0.3 -0.425 28.7-152.2 -63.4 137.9 28.7 17.7 54.7 82 86 A V E +D 56 0B 0 -26,-2.6 -26,-3.0 -2,-0.1 2,-0.3 -0.973 20.5 168.4-117.8 124.4 31.1 20.2 56.3 83 87 A T > - 0 0 36 -2,-0.5 3,-1.8 -28,-0.2 -28,-0.1 -0.780 53.6 -92.8-124.5 174.1 30.1 22.0 59.5 84 88 A S T 3 S+ 0 0 23 -30,-0.3 -29,-0.1 1,-0.3 -30,-0.0 0.692 126.2 56.5 -62.6 -17.3 32.1 24.1 62.0 85 89 A D T 3 S+ 0 0 148 2,-0.1 -1,-0.3 0, 0.0 -3,-0.0 0.587 84.9 108.7 -88.2 -12.6 32.6 20.9 64.1 86 90 A S < - 0 0 29 -3,-1.8 2,-0.3 1,-0.1 -4,-0.1 -0.304 58.8-144.9 -64.2 144.9 34.2 19.0 61.1 87 91 A S - 0 0 73 1,-0.1 -77,-0.1 -77,-0.1 -4,-0.1 -0.726 31.7 -85.6-102.8 160.9 38.0 18.3 61.1 88 92 A D - 0 0 103 -2,-0.3 2,-0.3 -79,-0.1 -76,-0.2 -0.301 49.7-153.6 -57.6 147.9 40.4 18.3 58.2 89 93 A K E -b 12 0A 88 -78,-2.1 -76,-2.7 -3,-0.1 2,-0.4 -0.957 16.3-164.0-130.7 149.4 40.4 15.0 56.3 90 94 A E E -b 13 0A 142 -2,-0.3 2,-0.4 -78,-0.2 -76,-0.2 -1.000 9.7-172.5-129.2 131.3 42.9 13.1 54.2 91 95 A I E -b 14 0A 48 -78,-2.8 -76,-3.5 -2,-0.4 2,-0.5 -0.984 8.9-154.7-123.9 135.5 41.9 10.2 52.0 92 96 A T E -b 15 0A 38 -2,-0.4 2,-0.5 -78,-0.2 -76,-0.2 -0.958 2.4-161.1-113.9 119.5 44.3 7.9 50.1 93 97 A V E -b 16 0A 0 -78,-3.3 -76,-2.6 -2,-0.5 2,-0.5 -0.870 17.1-149.2 -94.9 130.3 43.1 6.1 47.0 94 98 A R E -b 17 0A 106 -2,-0.5 -21,-2.2 -78,-0.2 2,-0.4 -0.895 11.9-166.5-113.7 129.7 45.3 3.1 46.1 95 99 A Y E -b 18 0A 0 -78,-2.9 -76,-3.7 -2,-0.5 2,-0.4 -0.919 6.8-156.3-110.7 134.1 46.1 1.7 42.7 96 100 A D - 0 0 40 -2,-0.4 -26,-3.2 -25,-0.3 3,-0.1 -0.918 27.2-109.9-109.7 135.6 47.8 -1.7 42.2 97 101 A R B -F 69 0D 185 -2,-0.4 -28,-0.3 -28,-0.3 -29,-0.1 -0.216 48.4 -80.9 -59.5 152.2 49.7 -2.4 39.0 98 102 A L - 0 0 86 -30,-2.2 -1,-0.1 1,-0.1 -29,-0.0 -0.143 32.4-129.2 -53.6 148.3 48.2 -4.9 36.5 99 103 A S 0 0 99 -3,-0.1 -1,-0.1 -30,-0.0 -2,-0.1 0.883 360.0 360.0 -69.8 -42.3 48.8 -8.6 37.3 100 104 A T 0 0 173 0, 0.0 -3,-0.0 0, 0.0 -2,-0.0 0.888 360.0 360.0 38.9 360.0 50.1 -9.3 33.7