==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=23-JUL-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER STRUCTURAL GENOMICS, UNKNOWN FUNCTION 13-MAY-10 2KXY . COMPND 2 MOLECULE: UNCHARACTERIZED PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: STREPTOCOCCUS THERMOPHILUS; . AUTHOR Y.LIU,H.LEE,R.BELOTE,C.CICCOSANTI,K.HAMILTON,T.ACTON,R.XIAO, . 100 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 8461.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 49 49.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 7 7.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 25 25.0 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 . 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 . 9 9.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 3 3.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 4 4.0 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 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 RESIDUES PER ALPHA HELIX . 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 0 PARALLEL BRIDGES PER LADDER . 0 0 1 1 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 ANTIPARALLEL BRIDGES PER LADDER . 1 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 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 K 0 0 248 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 14.8 34.3 2.3 -3.6 2 2 A I - 0 0 139 1,-0.1 0, 0.0 3,-0.0 0, 0.0 0.940 360.0-150.8 55.8 95.7 32.6 3.4 -0.4 3 3 A S S S+ 0 0 116 2,-0.0 -1,-0.1 0, 0.0 2,-0.0 0.896 76.3 82.3 -61.2 -41.4 34.3 1.6 2.5 4 4 A L - 0 0 136 1,-0.1 3,-0.0 2,-0.1 0, 0.0 -0.315 60.6-166.0 -66.2 147.6 31.1 1.7 4.5 5 5 A R + 0 0 233 37,-0.0 2,-0.4 2,-0.0 -1,-0.1 -0.178 55.5 95.8-128.8 36.8 28.5 -1.0 3.7 6 6 A K + 0 0 186 2,-0.0 2,-0.3 34,-0.0 -2,-0.1 -0.998 39.2 143.3-134.1 132.2 25.5 0.5 5.5 7 7 A L - 0 0 79 -2,-0.4 34,-0.6 34,-0.1 2,-0.3 -0.975 21.3-164.8-163.6 152.7 22.7 2.6 4.0 8 8 A S E +A 40 0A 70 -2,-0.3 2,-0.3 32,-0.2 32,-0.2 -0.991 8.0 178.7-145.1 148.3 18.9 3.1 4.2 9 9 A K E -A 39 0A 109 30,-1.5 30,-2.2 -2,-0.3 2,-0.4 -0.922 25.3-118.0-144.5 166.3 16.2 4.7 2.1 10 10 A S E -A 38 0A 71 -2,-0.3 28,-0.2 28,-0.2 26,-0.0 -0.921 19.3-172.6-113.4 136.0 12.5 5.3 2.0 11 11 A V - 0 0 8 26,-1.2 26,-0.4 -2,-0.4 41,-0.2 -0.897 21.3-137.0-128.9 100.4 10.1 4.0 -0.7 12 12 A P - 0 0 57 0, 0.0 40,-1.3 0, 0.0 2,-0.3 -0.235 23.1-119.3 -57.0 144.6 6.5 5.3 -0.5 13 13 A V E -c 52 0B 22 22,-1.9 2,-0.5 38,-0.2 40,-0.2 -0.685 21.0-155.6 -88.9 139.6 3.8 2.6 -1.1 14 14 A K E -c 53 0B 128 38,-2.9 40,-2.6 -2,-0.3 2,-0.4 -0.965 5.9-152.0-119.2 116.4 1.4 3.0 -4.0 15 15 A L E -c 54 0B 23 -2,-0.5 2,-0.5 38,-0.2 38,-0.1 -0.729 7.5-163.8 -90.0 135.1 -2.0 1.3 -3.8 16 16 A E E -c 55 0B 121 38,-0.7 40,-1.2 -2,-0.4 2,-0.3 -0.973 19.4-129.6-122.5 116.7 -3.7 0.2 -7.1 17 17 A L E -c 56 0B 64 -2,-0.5 2,-0.4 38,-0.2 40,-0.1 -0.481 30.0-173.5 -66.6 126.1 -7.4 -0.6 -7.0 18 18 A T E +c 57 0B 65 38,-1.8 40,-1.6 -2,-0.3 41,-0.5 -0.987 40.0 36.5-127.4 134.0 -7.9 -4.0 -8.7 19 19 A G S S- 0 0 41 -2,-0.4 2,-0.3 38,-0.2 37,-0.0 -0.319 91.7 -58.9 113.6 165.1 -11.3 -5.6 -9.5 20 20 A D - 0 0 139 -2,-0.1 2,-0.1 1,-0.1 3,-0.1 -0.599 58.0-109.8 -81.3 138.2 -14.7 -4.4 -10.6 21 21 A K - 0 0 116 -2,-0.3 38,-0.1 1,-0.1 -1,-0.1 -0.426 38.2-104.0 -68.2 139.5 -16.5 -1.9 -8.3 22 22 A A > - 0 0 18 36,-0.3 3,-1.2 39,-0.3 -1,-0.1 -0.327 18.5-132.3 -64.0 144.1 -19.5 -3.2 -6.5 23 23 A S T 3 S+ 0 0 115 1,-0.2 -1,-0.1 -3,-0.1 -2,-0.1 0.738 109.1 53.7 -68.9 -24.1 -22.9 -2.1 -7.9 24 24 A N T 3 S+ 0 0 73 67,-0.1 68,-1.5 2,-0.0 2,-0.5 0.381 99.7 76.9 -91.5 2.9 -24.0 -1.2 -4.3 25 25 A V E < -D 91 0C 11 -3,-1.2 66,-0.2 66,-0.2 3,-0.1 -0.967 57.3-168.1-118.9 126.2 -20.9 1.0 -3.8 26 26 A S E S- 0 0 72 64,-1.6 2,-0.3 -2,-0.5 -1,-0.1 0.894 73.8 -22.6 -75.0 -43.3 -20.6 4.5 -5.3 27 27 A S E -D 90 0C 60 63,-0.6 63,-1.8 2,-0.0 2,-0.3 -0.980 56.6-137.1-163.9 162.1 -16.9 4.8 -4.6 28 28 A I E -D 89 0C 15 -2,-0.3 2,-0.3 61,-0.2 61,-0.2 -0.964 15.6-171.2-130.4 146.1 -14.1 3.5 -2.3 29 29 A S E -D 88 0C 66 59,-1.8 59,-1.3 -2,-0.3 2,-0.3 -0.885 2.5-162.8-132.6 161.8 -11.2 5.3 -0.5 30 30 A Y E -D 87 0C 91 -2,-0.3 2,-0.3 57,-0.2 57,-0.2 -0.981 5.2-176.1-146.2 154.7 -8.1 4.3 1.4 31 31 A S E -D 86 0C 69 55,-1.1 55,-0.8 -2,-0.3 2,-0.3 -0.901 9.8-149.0-144.7 170.9 -5.6 5.8 3.8 32 32 A F E -D 85 0C 105 -2,-0.3 53,-0.1 53,-0.2 -2,-0.0 -0.994 19.0-139.3-146.7 147.7 -2.4 5.0 5.7 33 33 A D S S- 0 0 115 51,-0.8 -1,-0.1 -2,-0.3 52,-0.1 0.816 102.7 -12.3 -74.6 -33.4 -0.8 6.0 9.0 34 34 A R - 0 0 134 50,-0.2 3,-0.1 0, 0.0 -2,-0.1 0.542 66.5-165.6-133.6 -49.8 2.7 6.2 7.5 35 35 A G + 0 0 2 1,-0.2 -22,-1.9 49,-0.1 2,-0.3 0.703 63.8 95.8 61.4 19.3 2.6 4.7 4.0 36 36 A H - 0 0 88 -24,-0.2 2,-0.3 -26,-0.0 -1,-0.2 -0.999 49.8-179.9-142.3 137.5 6.5 4.8 4.2 37 37 A V - 0 0 9 -26,-0.4 -26,-1.2 -2,-0.3 2,-0.4 -0.901 27.5-114.6-133.4 161.9 9.0 2.0 5.2 38 38 A T E -AB 10 79A 70 41,-0.9 41,-1.7 -2,-0.3 2,-0.3 -0.833 28.1-166.1-101.5 135.0 12.7 1.8 5.5 39 39 A I E -AB 9 78A 2 -30,-2.2 -30,-1.5 -2,-0.4 2,-0.4 -0.893 3.0-159.6-120.0 149.7 14.7 -0.6 3.3 40 40 A V E +AB 8 77A 54 37,-1.3 37,-3.2 -2,-0.3 2,-0.3 -0.996 40.4 80.5-132.8 135.0 18.3 -1.8 3.6 41 41 A G E S- B 0 76A 30 -34,-0.6 35,-0.2 -2,-0.4 2,-0.1 -0.980 76.6 -19.2 166.6-160.3 20.6 -3.2 0.9 42 42 A S > - 0 0 80 33,-0.7 4,-1.6 -2,-0.3 5,-0.1 -0.381 53.3-124.8 -73.0 151.7 22.9 -2.3 -2.0 43 43 A Q H > S+ 0 0 79 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.842 109.9 60.2 -65.0 -34.5 22.5 1.2 -3.6 44 44 A E H > S+ 0 0 164 1,-0.2 4,-1.0 2,-0.2 -1,-0.2 0.911 104.8 47.7 -60.6 -43.8 22.0 -0.5 -7.0 45 45 A A H > S+ 0 0 16 1,-0.2 4,-1.5 2,-0.2 3,-0.3 0.891 111.7 50.6 -64.7 -40.1 18.9 -2.3 -5.8 46 46 A M H < S+ 0 0 11 -4,-1.6 -2,-0.2 1,-0.2 -1,-0.2 0.887 106.3 54.4 -65.0 -40.7 17.5 0.9 -4.3 47 47 A D H < S+ 0 0 104 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.756 108.2 51.6 -65.5 -23.7 18.0 2.8 -7.5 48 48 A K H < S+ 0 0 158 -4,-1.0 2,-0.7 -3,-0.3 -1,-0.2 0.828 100.7 68.3 -80.6 -35.0 16.0 0.1 -9.3 49 49 A I < + 0 0 31 -4,-1.5 3,-0.1 1,-0.2 -1,-0.1 -0.795 50.8 165.7 -91.6 116.4 13.1 0.3 -6.8 50 50 A D S S- 0 0 132 -2,-0.7 2,-0.3 1,-0.4 -1,-0.2 0.669 70.0 -17.1 -99.1 -24.6 11.2 3.7 -7.2 51 51 A S - 0 0 38 -40,-0.1 2,-0.6 -37,-0.0 -1,-0.4 -0.964 64.3-107.9-172.4 162.8 8.2 2.6 -5.2 52 52 A I E -c 13 0B 25 -40,-1.3 -38,-2.9 -2,-0.3 2,-0.4 -0.916 28.0-145.5-107.3 120.5 6.3 -0.5 -3.8 53 53 A T E -c 14 0B 95 -2,-0.6 -38,-0.2 -40,-0.2 -40,-0.1 -0.714 13.8-172.1 -85.0 129.9 3.0 -1.4 -5.5 54 54 A V E -c 15 0B 14 -40,-2.6 -38,-0.7 -2,-0.4 2,-0.2 -0.827 7.2-166.2-123.8 90.8 0.4 -2.8 -3.1 55 55 A P E -c 16 0B 84 0, 0.0 2,-0.3 0, 0.0 -38,-0.2 -0.510 4.8-170.7 -79.3 146.2 -2.7 -4.1 -5.1 56 56 A V E -c 17 0B 14 -40,-1.2 -38,-1.8 -2,-0.2 2,-0.4 -1.000 24.2-120.8-139.6 137.4 -6.0 -4.9 -3.2 57 57 A D E +c 18 0B 97 -2,-0.3 -38,-0.2 1,-0.1 -40,-0.1 -0.644 25.7 177.4 -79.2 125.3 -9.2 -6.6 -4.3 58 58 A I > + 0 0 4 -40,-1.6 3,-0.5 -2,-0.4 -36,-0.3 0.483 66.4 83.4-103.1 -9.9 -12.2 -4.3 -3.9 59 59 A S T 3 S+ 0 0 61 -41,-0.5 -1,-0.1 1,-0.2 -40,-0.1 0.883 97.4 40.1 -61.8 -39.8 -14.7 -6.8 -5.4 60 60 A Q T 3 S+ 0 0 169 -38,-0.0 2,-0.7 2,-0.0 -1,-0.2 0.484 98.1 96.0 -86.7 -5.0 -15.0 -8.7 -2.0 61 61 A V < + 0 0 14 -3,-0.5 -39,-0.3 1,-0.2 3,-0.1 -0.801 31.4 138.6 -92.4 114.1 -15.0 -5.3 -0.1 62 62 A T + 0 0 55 -2,-0.7 2,-0.3 1,-0.2 -1,-0.2 0.286 64.4 46.6-132.5 -0.1 -18.6 -4.1 0.6 63 63 A E S S- 0 0 144 24,-0.0 -1,-0.2 28,-0.0 2,-0.1 -0.977 93.9 -86.2-144.6 155.7 -18.1 -2.8 4.1 64 64 A D + 0 0 106 -2,-0.3 2,-0.3 25,-0.2 24,-0.2 -0.399 67.7 126.2 -63.9 132.8 -15.7 -0.6 6.0 65 65 A T E -E 87 0C 68 22,-1.5 22,-2.7 -2,-0.1 2,-0.3 -0.940 44.4-125.7-167.6-174.9 -12.7 -2.6 7.4 66 66 A S E -E 86 0C 47 -2,-0.3 2,-0.3 20,-0.2 20,-0.2 -0.993 14.2-168.2-151.3 147.2 -8.9 -2.9 7.5 67 67 A K E -E 85 0C 93 18,-1.1 18,-0.7 -2,-0.3 2,-0.4 -0.996 25.4-118.0-140.2 143.9 -6.3 -5.6 6.7 68 68 A T E -E 84 0C 110 -2,-0.3 2,-0.4 16,-0.1 16,-0.1 -0.662 29.3-162.6 -83.1 132.0 -2.6 -6.0 7.4 69 69 A L E -E 83 0C 38 14,-1.1 14,-0.7 -2,-0.4 2,-0.4 -0.971 6.8-147.1-120.9 129.7 -0.4 -6.1 4.2 70 70 A E E -E 82 0C 169 -2,-0.4 2,-0.4 12,-0.1 12,-0.2 -0.765 11.3-149.6 -96.6 137.7 3.2 -7.4 4.2 71 71 A L + 0 0 14 10,-1.8 2,-0.3 -2,-0.4 7,-0.1 -0.896 17.9 175.4-110.6 136.9 5.7 -5.9 1.7 72 72 A K + 0 0 192 -2,-0.4 2,-0.3 5,-0.1 5,-0.1 -0.991 6.7 179.6-141.6 147.2 8.7 -7.8 0.2 73 73 A A > - 0 0 21 3,-0.4 3,-0.7 -2,-0.3 2,-0.7 -0.987 29.1-121.8-149.9 137.2 11.3 -7.0 -2.3 74 74 A E T 3 S+ 0 0 181 -2,-0.3 3,-0.1 1,-0.2 -2,-0.0 -0.733 97.8 26.1 -86.3 114.6 14.3 -9.1 -3.7 75 75 A G T 3 S+ 0 0 56 -2,-0.7 -33,-0.7 1,-0.3 2,-0.3 0.076 115.0 59.9 125.1 -20.6 17.6 -7.3 -3.2 76 76 A V E < S-B 41 0A 14 -3,-0.7 2,-0.7 -35,-0.2 -3,-0.4 -0.923 78.4-119.0-134.1 159.9 16.7 -5.3 -0.1 77 77 A T E -B 40 0A 87 -37,-3.2 -37,-1.3 -2,-0.3 2,-0.5 -0.890 28.3-158.7-102.7 111.1 15.5 -6.0 3.5 78 78 A V E -B 39 0A 24 -2,-0.7 -39,-0.2 -39,-0.2 -5,-0.1 -0.787 17.4-147.0 -92.0 129.1 12.1 -4.4 4.1 79 79 A Q E -B 38 0A 110 -41,-1.7 -41,-0.9 -2,-0.5 -2,-0.0 -0.973 69.5 -8.3-156.7 142.0 11.2 -3.8 7.8 80 80 A P S S- 0 0 75 0, 0.0 -9,-0.1 0, 0.0 3,-0.1 -0.980 79.0-178.1 -69.9 -10.3 8.9 -3.7 9.6 81 81 A S + 0 0 22 1,-0.2 -10,-1.8 -43,-0.1 2,-0.4 0.735 46.3 109.7 60.3 23.2 7.3 -4.0 6.2 82 82 A T E + E 0 70C 60 -12,-0.2 2,-0.3 -14,-0.0 -1,-0.2 -0.987 37.9 163.1-131.9 139.6 3.9 -3.8 7.9 83 83 A V E - E 0 69C 21 -14,-0.7 -14,-1.1 -2,-0.4 2,-0.4 -0.985 34.7-117.5-152.4 151.9 1.3 -1.0 7.8 84 84 A K E - E 0 68C 109 -2,-0.3 -51,-0.8 -16,-0.1 2,-0.4 -0.797 27.2-168.2 -96.2 134.0 -2.4 -0.7 8.7 85 85 A V E -DE 32 67C 11 -18,-0.7 -18,-1.1 -2,-0.4 2,-0.5 -0.989 7.2-155.9-126.1 127.1 -4.7 0.3 5.8 86 86 A N E -DE 31 66C 64 -55,-0.8 -55,-1.1 -2,-0.4 2,-0.7 -0.898 5.2-160.4-104.9 124.4 -8.4 1.4 6.4 87 87 A L E -DE 30 65C 12 -22,-2.7 -22,-1.5 -2,-0.5 2,-0.5 -0.910 6.3-159.2-108.0 108.7 -10.8 1.0 3.4 88 88 A K E -D 29 0C 131 -59,-1.3 -59,-1.8 -2,-0.7 2,-0.4 -0.756 5.8-152.2 -90.2 129.6 -13.9 3.1 3.7 89 89 A V E -D 28 0C 14 -2,-0.5 2,-0.6 -61,-0.2 -25,-0.2 -0.876 3.8-147.7-104.1 131.4 -16.9 2.0 1.6 90 90 A T E -D 27 0C 64 -63,-1.8 -64,-1.6 -2,-0.4 -63,-0.6 -0.877 13.4-138.8-101.2 120.4 -19.4 4.6 0.4 91 91 A Q E -D 25 0C 111 -2,-0.6 -66,-0.2 -66,-0.2 2,-0.2 -0.623 22.9-117.4 -79.8 132.3 -23.0 3.2 0.2 92 92 A K + 0 0 134 -68,-1.5 2,-0.3 -2,-0.3 -1,-0.1 -0.481 40.5 171.6 -70.4 137.1 -24.9 4.4 -2.9 93 93 A L - 0 0 154 -2,-0.2 -69,-0.0 0, 0.0 -2,-0.0 -0.949 28.6-126.4-152.1 127.9 -27.9 6.6 -2.2 94 94 A E + 0 0 179 -2,-0.3 2,-0.3 1,-0.0 3,-0.0 -0.239 38.0 160.1 -67.6 159.8 -30.2 8.6 -4.5 95 95 A H - 0 0 135 0, 0.0 2,-0.1 0, 0.0 -1,-0.0 -0.887 45.4 -37.1-161.3-170.9 -30.8 12.3 -3.7 96 96 A H - 0 0 172 -2,-0.3 2,-0.1 1,-0.1 3,-0.1 -0.407 66.5-111.7 -64.8 134.7 -32.0 15.6 -5.2 97 97 A H - 0 0 173 1,-0.1 2,-0.3 -2,-0.1 -1,-0.1 -0.384 37.6 -97.5 -68.0 144.3 -30.8 16.0 -8.8 98 98 A H - 0 0 121 1,-0.2 -1,-0.1 -2,-0.1 0, 0.0 -0.458 26.1-152.4 -65.2 125.1 -28.2 18.8 -9.4 99 99 A H 0 0 182 -2,-0.3 -1,-0.2 1,-0.2 -2,-0.0 0.908 360.0 360.0 -65.0 -42.2 -30.0 21.9 -10.6 100 100 A H 0 0 228 -3,-0.0 -1,-0.2 0, 0.0 -2,-0.1 0.930 360.0 360.0 -61.4 360.0 -26.8 23.1 -12.4