==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=21-DEC-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER CHAPERONE 30-MAY-12 4FEI . COMPND 2 MOLECULE: HEAT SHOCK PROTEIN-RELATED PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: DEINOCOCCUS RADIODURANS; . AUTHOR A.BEPPERLING,F.ALTE,T.KRIEHUBER,N.BRAUN,S.WEINKAUF,M.GROLL, . 102 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 6890.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 65 63.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 3 2.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 38 37.3 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 . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 3 2.9 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 . 17 16.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 7 6.9 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+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 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 0 PARALLEL BRIDGES PER LADDER . 1 0 0 0 2 1 1 1 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 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 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 46 A Q 0 0 195 0, 0.0 52,-0.1 0, 0.0 56,-0.1 0.000 360.0 360.0 360.0 112.6 -0.6 -14.9 -14.3 2 47 A G - 0 0 30 56,-0.1 3,-0.1 54,-0.1 56,-0.1 0.829 360.0-137.8 90.3 90.3 -2.9 -12.4 -12.5 3 48 A G E -a 59 0A 31 55,-0.6 57,-2.5 1,-0.2 2,-0.1 -0.120 25.5 -78.9 -82.2 169.0 -0.8 -10.0 -10.5 4 49 A P E -a 60 0A 131 0, 0.0 2,-0.5 0, 0.0 -1,-0.2 -0.426 53.7-122.3 -67.4 140.3 -1.0 -8.5 -7.0 5 50 A W + 0 0 18 57,-0.6 59,-0.4 55,-0.5 53,-0.0 -0.753 38.3 164.3 -99.4 121.7 -3.6 -5.6 -6.9 6 51 A T - 0 0 100 -2,-0.5 2,-0.2 57,-0.1 57,-0.1 -0.878 31.6-145.0-125.5 95.1 -2.8 -2.0 -5.9 7 52 A P - 0 0 2 0, 0.0 17,-0.1 0, 0.0 2,-0.0 -0.441 22.9-110.0 -69.4 131.2 -5.7 0.1 -7.2 8 53 A A - 0 0 61 15,-0.2 15,-2.5 -2,-0.2 2,-0.4 -0.297 37.0-155.0 -63.2 139.7 -4.6 3.6 -8.3 9 54 A A E -B 22 0B 31 13,-0.2 2,-0.4 -2,-0.0 13,-0.2 -0.945 13.3-171.4-127.6 135.8 -5.9 6.5 -6.0 10 55 A D E -B 21 0B 109 11,-2.6 11,-2.4 -2,-0.4 2,-0.5 -0.944 13.2-149.7-118.4 147.9 -6.5 10.2 -6.5 11 56 A W E -B 20 0B 72 -2,-0.4 2,-0.4 9,-0.2 9,-0.2 -0.979 18.5-165.6-112.0 120.1 -7.3 12.9 -4.0 12 57 A R E -B 19 0B 112 7,-3.0 7,-2.7 -2,-0.5 2,-0.9 -0.902 19.0-133.3-109.0 134.7 -9.5 15.7 -5.3 13 58 A D E +B 18 0B 100 -2,-0.4 5,-0.2 5,-0.2 3,-0.1 -0.791 26.7 175.3 -82.9 109.8 -10.0 19.0 -3.6 14 59 A A E > -B 17 0B 29 3,-2.2 3,-1.9 -2,-0.9 2,-1.3 -0.276 43.2-117.9-110.3 45.7 -13.8 19.6 -3.7 15 60 A G T 3 S+ 0 0 16 1,-0.3 82,-2.1 81,-0.1 -1,-0.1 -0.383 104.5 22.7 66.3 -91.3 -13.8 22.8 -1.7 16 61 A T T 3 S+ 0 0 69 -2,-1.3 77,-2.5 80,-0.3 -1,-0.3 0.730 130.8 48.8 -78.2 -23.9 -15.9 21.9 1.4 17 62 A H E < -BC 14 92B 51 -3,-1.9 -3,-2.2 75,-0.3 2,-0.5 -0.791 69.8-139.6-118.7 160.4 -15.1 18.2 0.9 18 63 A L E -BC 13 91B 4 73,-3.7 73,-2.6 -2,-0.3 2,-0.5 -0.984 24.7-156.7-117.0 122.3 -12.1 16.0 0.2 19 64 A D E -BC 12 90B 1 -7,-2.7 -7,-3.0 -2,-0.5 2,-0.6 -0.874 9.6-161.0-105.6 134.2 -12.7 13.2 -2.4 20 65 A L E -BC 11 89B 0 69,-2.8 69,-2.9 -2,-0.5 2,-0.5 -0.950 9.6-166.6-105.9 122.1 -10.8 9.9 -2.7 21 66 A L E -BC 10 88B 36 -11,-2.4 -11,-2.6 -2,-0.6 2,-0.5 -0.959 6.1-173.6-109.1 128.0 -11.2 8.3 -6.1 22 67 A L E -BC 9 87B 0 65,-2.3 65,-2.8 -2,-0.5 2,-1.0 -0.977 23.8-132.7-128.0 120.5 -10.1 4.7 -6.3 23 68 A D E + C 0 86B 88 -15,-2.5 63,-0.2 -2,-0.5 -15,-0.2 -0.628 41.0 155.6 -76.9 103.3 -9.9 2.7 -9.5 24 69 A V > + 0 0 1 61,-2.2 3,-1.3 -2,-1.0 61,-0.2 -0.508 14.0 176.9-126.2 61.1 -11.6 -0.7 -8.6 25 70 A P T 3 S+ 0 0 63 0, 0.0 -2,-0.0 0, 0.0 60,-0.0 -0.470 70.3 10.3 -69.1 139.8 -13.0 -2.2 -11.8 26 71 A G T 3 S+ 0 0 58 1,-0.2 3,-0.0 -2,-0.1 -2,-0.0 0.500 88.6 158.2 77.8 7.4 -14.6 -5.7 -11.4 27 72 A V < - 0 0 20 -3,-1.3 2,-0.9 20,-0.1 20,-0.2 -0.289 52.6-116.0 -64.8 144.2 -14.6 -5.6 -7.6 28 73 A D > - 0 0 89 18,-2.6 3,-2.0 1,-0.2 18,-0.5 -0.798 28.7-150.9 -74.1 110.1 -16.9 -7.8 -5.6 29 74 A A G > S+ 0 0 60 -2,-0.9 3,-1.1 1,-0.3 -1,-0.2 0.816 89.5 64.2 -58.8 -33.2 -18.8 -4.9 -4.1 30 75 A G G 3 S+ 0 0 74 1,-0.2 -1,-0.3 -3,-0.1 -2,-0.0 0.457 98.3 55.3 -71.3 -3.6 -19.6 -7.0 -0.9 31 76 A T G < S+ 0 0 37 -3,-2.0 -1,-0.2 15,-0.2 2,-0.2 0.520 78.9 113.1-106.1 -12.5 -15.9 -7.2 -0.0 32 77 A L < + 0 0 37 -3,-1.1 2,-0.4 -4,-0.5 13,-0.2 -0.437 41.8 178.5 -63.1 127.2 -15.2 -3.5 0.1 33 78 A A E -E 44 0C 51 11,-2.5 11,-2.3 -2,-0.2 2,-0.4 -0.994 10.2-168.8-133.5 144.7 -14.4 -2.1 3.5 34 79 A L E +E 43 0C 64 -2,-0.4 2,-0.4 9,-0.2 9,-0.2 -0.999 9.3 172.2-136.7 126.0 -13.4 1.4 4.5 35 80 A A E -E 42 0C 60 7,-2.2 7,-2.9 -2,-0.4 2,-0.6 -0.997 17.9-154.1-139.6 133.6 -12.1 2.5 7.9 36 81 A E E -E 41 0C 65 -2,-0.4 2,-0.7 5,-0.2 5,-0.2 -0.932 9.2-177.5-112.2 118.0 -10.7 5.9 9.1 37 82 A D E > -E 40 0C 136 3,-1.9 2,-0.7 -2,-0.6 3,-0.7 -0.887 63.6 -71.8-116.0 93.1 -8.2 5.8 12.0 38 83 A G T 3 S+ 0 0 69 -2,-0.7 35,-0.2 1,-0.2 -2,-0.0 -0.435 121.4 4.2 58.3 -99.5 -7.5 9.5 12.6 39 84 A G T 3 S+ 0 0 46 -2,-0.7 30,-1.5 33,-0.1 2,-0.4 0.052 119.6 75.6-106.9 21.7 -5.4 10.7 9.7 40 85 A Q E < -EF 37 68C 74 -3,-0.7 -3,-1.9 28,-0.2 2,-0.5 -0.996 60.5-152.7-134.8 137.6 -5.4 7.5 7.5 41 86 A L E -EF 36 67C 2 26,-3.8 26,-3.6 -2,-0.4 2,-0.5 -0.946 13.0-157.8-106.3 129.7 -8.0 6.0 5.4 42 87 A T E -EF 35 66C 37 -7,-2.9 -7,-2.2 -2,-0.5 2,-0.4 -0.947 10.6-175.4-109.1 124.5 -7.8 2.2 5.0 43 88 A V E +EF 34 65C 0 22,-2.6 22,-3.2 -2,-0.5 2,-0.3 -0.982 7.6 167.7-120.2 133.6 -9.4 0.7 2.0 44 89 A S E +EF 33 64C 15 -11,-2.3 -11,-2.5 -2,-0.4 2,-0.3 -0.954 9.7 126.8-140.2 156.6 -9.7 -3.1 1.3 45 90 A G E - F 0 63C 0 18,-1.6 18,-2.5 -2,-0.3 2,-0.3 -0.964 34.5-119.1 178.1-166.4 -11.6 -5.3 -1.1 46 91 A E E - F 0 62C 91 -18,-0.5 -18,-2.6 -2,-0.3 16,-0.2 -0.996 7.7-163.1-154.8 149.3 -11.3 -8.1 -3.6 47 92 A R E - F 0 61C 13 14,-1.4 14,-2.5 -2,-0.3 -20,-0.1 -0.996 34.6-109.1-133.1 143.5 -11.8 -9.2 -7.2 48 93 A P - 0 0 89 0, 0.0 2,-0.2 0, 0.0 3,-0.0 -0.270 34.0-108.2 -63.8 148.9 -11.9 -12.8 -8.5 49 94 A G - 0 0 42 11,-0.1 2,-0.3 1,-0.1 11,-0.1 -0.516 38.1-107.9 -69.8 145.4 -9.1 -14.1 -10.7 50 95 A T - 0 0 62 -2,-0.2 3,-0.4 8,-0.1 2,-0.1 -0.590 35.7-125.1 -78.9 133.8 -10.0 -14.6 -14.3 51 96 A E S S+ 0 0 150 -2,-0.3 -1,-0.1 1,-0.2 0, 0.0 -0.413 79.7 10.4 -79.1 154.1 -10.3 -18.3 -15.3 52 97 A H S S- 0 0 174 1,-0.2 2,-0.2 -2,-0.1 -1,-0.2 0.862 81.3-164.5 49.7 52.8 -8.4 -20.0 -18.2 53 98 A L + 0 0 52 -3,-0.4 -1,-0.2 1,-0.2 3,-0.1 -0.475 25.6 177.2 -74.3 132.7 -6.0 -17.2 -18.9 54 99 A L S S+ 0 0 173 1,-0.5 2,-0.3 -2,-0.2 -1,-0.2 0.774 81.3 5.6 -98.7 -39.8 -4.1 -17.1 -22.2 55 100 A R S S- 0 0 234 -54,-0.0 -1,-0.5 0, 0.0 2,-0.4 -0.982 73.9-162.6-139.7 144.1 -2.4 -13.8 -21.5 56 101 A S + 0 0 43 -2,-0.3 -54,-0.1 -3,-0.1 -3,-0.0 -0.985 34.2 141.6-135.5 127.6 -2.6 -11.7 -18.4 57 102 A E + 0 0 198 -2,-0.4 -1,-0.1 -56,-0.1 -54,-0.1 0.478 56.9 96.9-119.1 -23.2 -1.8 -8.0 -17.6 58 103 A R S S- 0 0 128 1,-0.1 -55,-0.6 -56,-0.1 -8,-0.1 -0.443 73.3-121.3 -79.6 138.1 -4.7 -7.4 -15.1 59 104 A P E -a 3 0A 39 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.436 31.8-169.9 -72.4 151.8 -4.3 -7.6 -11.3 60 105 A S E +a 4 0A 22 -57,-2.5 -55,-0.5 -2,-0.1 -11,-0.1 -0.896 34.3 26.5-134.2 166.4 -6.4 -10.1 -9.3 61 106 A G E S-F 47 0C 24 -14,-2.5 -14,-1.4 -2,-0.3 2,-0.1 -0.417 93.5 -7.6 89.0-159.0 -7.3 -11.0 -5.7 62 107 A R E -F 46 0C 153 -16,-0.2 -57,-0.6 -2,-0.1 2,-0.3 -0.421 55.7-163.6 -78.4 144.7 -7.4 -8.9 -2.5 63 108 A F E -F 45 0C 2 -18,-2.5 -18,-1.6 -2,-0.1 2,-0.4 -0.963 6.1-172.1-125.4 149.4 -6.1 -5.4 -2.2 64 109 A V E -F 44 0C 88 -59,-0.4 2,-0.4 -2,-0.3 -20,-0.2 -0.958 5.2-179.3-141.4 122.3 -5.2 -3.3 0.8 65 110 A R E -F 43 0C 67 -22,-3.2 -22,-2.6 -2,-0.4 2,-0.5 -0.982 15.2-163.4-123.2 137.5 -4.4 0.4 0.8 66 111 A E E -F 42 0C 145 -2,-0.4 2,-0.5 -24,-0.2 -24,-0.2 -0.978 23.0-176.9-115.3 111.4 -3.4 2.7 3.8 67 112 A L E -F 41 0C 14 -26,-3.6 -26,-3.8 -2,-0.5 2,-0.3 -0.954 19.4-138.9-125.8 124.1 -3.8 6.3 2.5 68 113 A A E -F 40 0C 54 -2,-0.5 -28,-0.2 -28,-0.2 -29,-0.0 -0.623 28.8-111.1 -83.6 136.4 -3.0 9.5 4.5 69 114 A F - 0 0 25 -30,-1.5 -1,-0.1 -2,-0.3 4,-0.0 -0.511 16.4-150.3 -63.9 127.8 -5.4 12.4 4.2 70 115 A P S S+ 0 0 69 0, 0.0 -1,-0.2 0, 0.0 -2,-0.0 0.708 88.5 27.9 -69.2 -20.6 -3.7 15.3 2.3 71 116 A E S S- 0 0 77 -32,-0.0 -53,-0.0 -53,-0.0 2,-0.0 -0.991 99.2 -98.9-140.5 139.1 -5.9 17.6 4.3 72 117 A P - 0 0 80 0, 0.0 22,-2.0 0, 0.0 23,-0.5 -0.347 43.8-161.6 -59.7 137.0 -7.4 17.1 7.8 73 118 A V B -G 93 0D 17 20,-0.3 20,-0.3 -35,-0.2 3,-0.1 -0.841 25.9 -94.1-119.7 157.0 -11.1 16.0 7.8 74 119 A R > - 0 0 128 18,-2.8 3,-1.1 -2,-0.3 18,-0.3 -0.486 54.1-100.3 -64.4 138.7 -13.9 16.0 10.2 75 120 A P T 3 S+ 0 0 104 0, 0.0 -1,-0.1 0, 0.0 17,-0.0 -0.334 98.8 6.6 -61.1 139.2 -14.2 12.7 12.1 76 121 A A T 3 S+ 0 0 90 1,-0.1 -2,-0.0 -40,-0.1 15,-0.0 0.684 91.2 117.7 65.6 24.3 -16.9 10.2 10.9 77 122 A S < + 0 0 19 -3,-1.1 2,-0.2 15,-0.1 -1,-0.1 0.398 36.6 126.2 -98.6 1.8 -17.9 12.2 7.9 78 123 A G + 0 0 34 13,-0.1 2,-0.4 -4,-0.1 13,-0.2 -0.451 31.9 179.2 -75.0 131.3 -16.9 9.7 5.2 79 124 A V E -D 90 0B 107 11,-2.0 11,-2.9 -2,-0.2 2,-0.4 -0.996 11.0-157.9-131.0 124.2 -19.4 8.6 2.6 80 125 A A E +D 89 0B 51 -2,-0.4 2,-0.3 9,-0.2 9,-0.2 -0.827 11.6 178.1-112.7 141.8 -18.5 6.0 -0.1 81 126 A S E -D 88 0B 74 7,-2.4 7,-3.2 -2,-0.4 2,-0.4 -0.988 12.4-153.8-141.2 144.7 -20.1 5.4 -3.5 82 127 A L E +D 87 0B 72 -2,-0.3 2,-0.3 5,-0.2 5,-0.2 -0.982 24.9 149.4-127.1 123.2 -19.2 3.0 -6.4 83 128 A A E > -D 86 0B 72 3,-2.1 3,-1.4 -2,-0.4 -2,-0.1 -0.961 66.2 -0.4-152.2 136.2 -20.1 3.5 -10.1 84 129 A G T 3 S- 0 0 85 -2,-0.3 3,-0.1 1,-0.3 -1,-0.0 0.814 127.8 -54.2 58.4 36.7 -18.4 2.4 -13.3 85 130 A G T 3 S+ 0 0 20 1,-0.2 -61,-2.2 -61,-0.2 2,-0.5 0.585 115.5 113.0 74.8 12.7 -15.4 0.7 -11.6 86 131 A V E < -CD 23 83B 42 -3,-1.4 -3,-2.1 -63,-0.2 2,-0.6 -0.966 55.3-151.5-121.6 125.5 -14.6 3.8 -9.6 87 132 A L E -CD 22 82B 4 -65,-2.8 -65,-2.3 -2,-0.5 2,-0.6 -0.832 11.8-166.3 -92.4 119.2 -15.0 4.2 -5.8 88 133 A T E -CD 21 81B 40 -7,-3.2 -7,-2.4 -2,-0.6 2,-0.5 -0.922 4.7-174.8-107.0 114.3 -15.6 7.8 -4.7 89 134 A V E -CD 20 80B 5 -69,-2.9 -69,-2.8 -2,-0.6 2,-0.4 -0.947 8.4-160.7-110.6 120.9 -15.2 8.4 -1.0 90 135 A R E +CD 19 79B 113 -11,-2.9 -11,-2.0 -2,-0.5 2,-0.4 -0.836 11.0 178.5-110.0 132.1 -16.2 11.9 0.2 91 136 A F E -C 18 0B 2 -73,-2.6 -73,-3.7 -2,-0.4 2,-0.5 -0.956 28.6-121.5-127.9 145.7 -15.0 13.5 3.5 92 137 A E E -C 17 0B 72 -2,-0.4 -18,-2.8 -75,-0.3 -75,-0.3 -0.762 32.7-122.4 -90.4 132.9 -15.8 17.0 4.8 93 138 A K B -G 73 0D 5 -77,-2.5 -20,-0.3 -2,-0.5 -1,-0.0 -0.340 1.9-137.5 -71.8 149.1 -12.7 19.1 5.5 94 139 A L S S+ 0 0 107 -22,-2.0 -21,-0.1 1,-0.3 -1,-0.1 0.849 107.3 33.2 -67.0 -41.1 -11.9 20.6 8.8 95 140 A R S S- 0 0 182 -23,-0.5 -1,-0.3 -21,-0.0 -2,-0.0 -0.850 91.3-156.1-118.7 87.7 -11.0 23.9 7.1 96 141 A P - 0 0 66 0, 0.0 2,-0.3 0, 0.0 -80,-0.3 -0.368 4.7-156.8 -63.7 142.4 -13.3 24.1 4.0 97 142 A T - 0 0 42 -82,-2.1 2,-0.4 -80,-0.1 -80,-0.1 -0.812 3.7-145.1-110.7 162.6 -12.1 26.2 1.1 98 143 A I - 0 0 137 -2,-0.3 2,-0.2 -83,-0.1 -83,-0.1 -0.996 18.3-121.5-132.9 127.2 -14.4 27.8 -1.6 99 144 A D - 0 0 139 -2,-0.4 2,-0.8 1,-0.1 -85,-0.0 -0.469 20.9-140.0 -64.8 131.0 -13.4 28.2 -5.3 100 145 A V - 0 0 134 -2,-0.2 2,-0.2 0, 0.0 -1,-0.1 -0.884 20.7-150.2 -95.7 105.4 -13.5 31.8 -6.4 101 146 A T 0 0 122 -2,-0.8 0, 0.0 1,-0.1 0, 0.0 -0.529 360.0 360.0 -79.3 141.2 -15.0 31.8 -9.9 102 147 A A 0 0 153 -2,-0.2 -1,-0.1 0, 0.0 0, 0.0 -0.206 360.0 360.0-130.9 360.0 -14.0 34.5 -12.4