==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=2-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER STRUCTURAL GENOMICS, UNKNOWN FUNCTION 24-JUN-08 2K52 . COMPND 2 MOLECULE: UNCHARACTERIZED PROTEIN MJ1198; . SOURCE 2 ORGANISM_SCIENTIFIC: METHANOCALDOCOCCUS JANNASCHII; . AUTHOR P.ROSSI,M.MAGLAQUI,E.L.FOOTE,K.HAMILTON,C.CICCOSANTI,R.XIAO, . 74 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 5139.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 51 68.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 5 6.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 27 36.5 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 . 2 2.7 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 . 8 10.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 9 12.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 2 2.7 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 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 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 PARALLEL BRIDGES PER LADDER . 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 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 M 0 0 110 0, 0.0 2,-0.3 0, 0.0 24,-0.1 0.000 360.0 360.0 360.0 132.6 -4.9 13.3 5.7 2 2 A D - 0 0 126 23,-0.0 2,-0.5 24,-0.0 27,-0.0 -0.723 360.0-134.1-101.3 156.3 -6.7 12.6 2.4 3 3 A V - 0 0 5 -2,-0.3 6,-0.0 6,-0.0 23,-0.0 -0.941 11.4-158.9-118.9 128.7 -5.3 10.5 -0.5 4 4 A E > - 0 0 93 -2,-0.5 3,-1.7 4,-0.1 2,-0.6 -0.816 31.4-106.2-102.2 143.0 -5.4 11.4 -4.2 5 5 A P T 3 S+ 0 0 84 0, 0.0 52,-0.2 0, 0.0 53,-0.1 -0.538 108.5 22.3 -69.3 110.6 -4.9 8.8 -7.0 6 6 A G T 3 S+ 0 0 34 50,-1.5 2,-0.2 -2,-0.6 51,-0.1 0.352 96.7 118.7 114.0 -3.6 -1.4 9.4 -8.5 7 7 A K < - 0 0 92 -3,-1.7 49,-2.6 1,-0.0 2,-0.4 -0.538 64.8-108.7 -94.9 162.6 0.2 11.2 -5.5 8 8 A F E +A 55 0A 109 47,-0.2 2,-0.3 -2,-0.2 47,-0.2 -0.750 43.6 159.9 -95.8 132.1 3.2 10.0 -3.4 9 9 A Y E -A 54 0A 50 45,-2.7 45,-2.6 -2,-0.4 2,-0.4 -0.991 34.2-129.1-147.1 153.1 2.7 8.8 0.2 10 10 A K E +A 53 0A 113 -2,-0.3 2,-0.3 43,-0.2 43,-0.2 -0.859 32.8 179.1 -99.3 139.6 4.5 6.7 2.9 11 11 A G E -A 52 0A 6 41,-2.5 41,-2.6 -2,-0.4 2,-0.4 -0.911 24.4-123.0-137.1 166.3 2.6 3.9 4.6 12 12 A V E -AB 51 24A 52 12,-2.0 12,-2.3 -2,-0.3 2,-0.4 -0.921 27.6-118.5-114.7 135.0 3.1 1.1 7.3 13 13 A V E - B 0 23A 2 37,-2.0 36,-2.2 -2,-0.4 10,-0.2 -0.543 26.7-179.7 -73.0 125.2 2.5 -2.6 6.7 14 14 A T E - 0 0 43 8,-3.0 2,-0.3 -2,-0.4 -1,-0.2 0.885 66.5 -11.4 -90.2 -49.3 -0.3 -4.1 8.9 15 15 A R E - B 0 22A 116 7,-0.8 7,-1.4 32,-0.1 2,-0.7 -0.990 63.2-119.0-153.4 150.6 -0.2 -7.8 7.7 16 16 A I E - B 0 21A 64 -2,-0.3 5,-0.2 5,-0.2 2,-0.2 -0.812 31.1-169.0 -96.1 112.6 1.4 -9.9 4.9 17 17 A E E > - B 0 20A 47 3,-2.5 3,-1.1 -2,-0.7 -2,-0.0 -0.587 34.5-116.8 -94.4 161.9 -1.2 -11.6 2.7 18 18 A K T 3 S+ 0 0 215 1,-0.2 3,-0.1 -2,-0.2 -1,-0.1 0.385 118.9 39.5 -78.9 6.4 -0.4 -14.3 0.1 19 19 A Y T 3 S- 0 0 122 1,-0.4 2,-0.3 14,-0.0 -1,-0.2 0.183 132.2 -44.4-135.1 11.8 -1.7 -11.8 -2.6 20 20 A G E < -B 17 0A 0 -3,-1.1 -3,-2.5 14,-0.2 -1,-0.4 -0.920 63.1 -79.5 149.3-176.5 -0.3 -8.6 -1.3 21 21 A A E -BC 16 33A 0 12,-2.3 12,-2.5 -2,-0.3 2,-0.5 -0.986 30.8-133.5-127.0 126.4 0.3 -6.5 1.9 22 22 A F E -BC 15 32A 15 -7,-1.4 -8,-3.0 -2,-0.4 -7,-0.8 -0.656 29.9-170.2 -78.3 122.9 -2.4 -4.2 3.5 23 23 A I E -BC 13 31A 0 8,-2.2 8,-2.5 -2,-0.5 2,-0.4 -0.927 16.3-141.1-121.3 136.6 -0.9 -0.8 4.4 24 24 A N E +BC 12 30A 62 -12,-2.3 -12,-2.0 -2,-0.4 6,-0.2 -0.816 21.4 170.3 -94.2 131.6 -2.3 2.1 6.4 25 25 A L E S+ 0 0 22 4,-2.7 2,-0.3 -2,-0.4 5,-0.2 0.715 70.6 0.6-101.0 -35.6 -1.7 5.7 5.2 26 26 A N E > S- C 0 29A 57 3,-1.7 3,-1.9 1,-0.0 -1,-0.4 -0.935 87.4 -81.6-150.0 167.3 -4.0 7.5 7.7 27 27 A E T 3 S+ 0 0 174 1,-0.3 -1,-0.0 -2,-0.3 3,-0.0 0.823 131.6 17.2 -40.7 -48.6 -6.4 6.9 10.7 28 28 A Q T 3 S+ 0 0 160 1,-0.0 2,-0.5 -4,-0.0 -1,-0.3 0.144 111.6 93.3-113.6 19.5 -9.3 5.9 8.3 29 29 A V E < +C 26 0A 23 -3,-1.9 -4,-2.7 -27,-0.0 -3,-1.7 -0.925 43.0 150.4-122.5 111.6 -7.2 5.2 5.2 30 30 A R E +Cd 24 65A 94 34,-0.6 36,-0.5 -2,-0.5 2,-0.2 -0.972 10.7 166.9-135.7 150.6 -5.9 1.7 4.3 31 31 A G E -Cd 23 66A 0 -8,-2.5 -8,-2.2 -2,-0.3 2,-0.4 -0.825 32.4 -93.8-147.7-171.5 -5.1 -0.1 1.0 32 32 A L E -Cd 22 67A 27 34,-2.5 36,-2.2 -10,-0.2 2,-0.6 -0.943 19.2-155.3-120.0 131.4 -3.5 -3.1 -0.7 33 33 A L E -Cd 21 68A 0 -12,-2.5 -12,-2.3 -2,-0.4 36,-0.1 -0.916 17.8-154.5-105.0 114.1 0.1 -3.4 -2.1 34 34 A R > - 0 0 71 34,-0.7 3,-1.1 -2,-0.6 36,-0.2 -0.632 18.0-125.9 -95.1 148.5 0.4 -6.1 -4.8 35 35 A P G > S+ 0 0 39 0, 0.0 3,-1.3 0, 0.0 -1,-0.1 0.805 106.9 54.6 -65.1 -35.0 3.7 -7.9 -5.6 36 36 A R G 3 S+ 0 0 246 1,-0.3 33,-0.0 6,-0.0 6,-0.0 0.673 104.7 56.6 -74.1 -14.9 3.8 -7.2 -9.4 37 37 A D G < S+ 0 0 36 -3,-1.1 33,-2.3 31,-0.1 2,-0.3 0.379 93.2 94.7 -91.3 1.5 3.5 -3.5 -8.6 38 38 A M < + 0 0 9 -3,-1.3 33,-0.1 31,-0.2 4,-0.0 -0.763 48.2 178.9 -98.9 139.2 6.7 -3.9 -6.4 39 39 A I S S+ 0 0 99 -2,-0.3 -1,-0.2 3,-0.0 32,-0.1 0.826 77.3 4.7 -99.6 -79.7 10.2 -3.1 -7.8 40 40 A S S S+ 0 0 82 1,-0.0 2,-0.4 2,-0.0 -2,-0.1 0.787 121.5 65.7 -82.7 -29.4 13.0 -3.6 -5.2 41 41 A L - 0 0 56 -6,-0.0 2,-0.3 3,-0.0 29,-0.1 -0.819 65.5-159.6-102.4 132.6 10.9 -5.0 -2.3 42 42 A R >> - 0 0 124 -2,-0.4 3,-2.3 1,-0.1 4,-0.6 -0.822 29.2-121.3-104.9 148.8 9.1 -8.4 -2.4 43 43 A L G >4 S+ 0 0 21 -2,-0.3 3,-1.4 1,-0.3 -1,-0.1 0.865 113.2 66.5 -50.0 -36.7 6.2 -9.4 -0.2 44 44 A E G 34 S+ 0 0 168 1,-0.3 -1,-0.3 -3,-0.0 -28,-0.0 0.669 106.6 39.7 -61.0 -19.2 8.4 -12.3 0.9 45 45 A N G <4 S+ 0 0 102 -3,-2.3 -1,-0.3 2,-0.0 2,-0.3 0.396 94.1 102.7-112.7 -2.5 10.8 -9.8 2.6 46 46 A L << - 0 0 10 -3,-1.4 2,-0.3 -4,-0.6 -30,-0.1 -0.611 51.0-165.5 -87.7 144.0 8.2 -7.4 4.0 47 47 A N > - 0 0 101 -2,-0.3 3,-1.8 -32,-0.1 2,-0.4 -0.884 33.2 -87.5-126.4 158.7 7.3 -7.4 7.8 48 48 A V T 3 S+ 0 0 102 -2,-0.3 -34,-0.2 1,-0.2 -33,-0.1 -0.499 115.3 26.5 -63.9 119.0 4.5 -6.0 9.9 49 49 A G T 3 S+ 0 0 45 -36,-2.2 2,-0.3 -2,-0.4 -1,-0.2 0.316 84.0 137.7 109.6 -7.7 5.5 -2.4 11.0 50 50 A D < - 0 0 63 -3,-1.8 -37,-2.0 -37,-0.1 2,-0.8 -0.554 51.9-132.7 -73.9 131.3 7.8 -1.6 8.0 51 51 A E E -A 12 0A 143 -2,-0.3 2,-0.5 -39,-0.2 -39,-0.2 -0.765 28.9-173.7 -83.4 110.2 7.5 1.9 6.5 52 52 A I E -A 11 0A 5 -41,-2.6 -41,-2.5 -2,-0.8 2,-0.6 -0.915 20.6-136.7-110.8 131.1 7.2 1.6 2.7 53 53 A I E +A 10 0A 50 -2,-0.5 18,-0.7 -43,-0.2 2,-0.3 -0.758 39.2 161.1 -85.6 117.9 7.2 4.6 0.3 54 54 A V E -AE 9 70A 1 -45,-2.6 -45,-2.7 -2,-0.6 2,-0.4 -0.890 37.2-123.7-135.5 162.4 4.5 4.0 -2.4 55 55 A Q E -AE 8 69A 29 14,-2.8 14,-1.9 -2,-0.3 2,-0.3 -0.914 32.9-115.1-108.3 135.8 2.5 5.9 -5.0 56 56 A A E - E 0 68A 4 -49,-2.6 -50,-1.5 -2,-0.4 12,-0.2 -0.536 30.2-179.3 -72.0 125.1 -1.3 5.7 -4.9 57 57 A I E + 0 0 51 10,-3.0 2,-0.4 -2,-0.3 -1,-0.2 0.939 68.0 2.6 -85.1 -68.3 -2.8 4.1 -8.1 58 58 A D E - 0 0 71 9,-0.4 9,-1.5 -53,-0.1 2,-0.7 -0.985 56.1-161.9-127.4 128.1 -6.6 4.2 -7.6 59 59 A V E - E 0 66A 44 -2,-0.4 7,-0.2 7,-0.2 -28,-0.0 -0.909 14.4-171.2-106.4 105.1 -8.5 5.8 -4.7 60 60 A R E >>> - E 0 65A 98 5,-1.5 4,-2.1 -2,-0.7 3,-1.1 -0.832 13.1-171.9-105.1 102.9 -12.0 4.3 -4.7 61 61 A P T 345S+ 0 0 111 0, 0.0 -1,-0.2 0, 0.0 5,-0.0 0.888 89.4 56.3 -58.7 -40.7 -14.5 6.0 -2.3 62 62 A E T 345S+ 0 0 157 1,-0.2 -2,-0.0 2,-0.1 0, 0.0 0.752 118.5 33.9 -61.2 -26.0 -17.2 3.4 -2.9 63 63 A K T <45S- 0 0 106 -3,-1.1 -1,-0.2 2,-0.2 3,-0.1 0.593 92.3-146.1-104.6 -18.0 -14.6 0.7 -1.8 64 64 A R T <5 + 0 0 211 -4,-2.1 -34,-0.6 1,-0.2 2,-0.3 0.437 67.3 102.9 65.2 -0.9 -12.8 2.8 0.8 65 65 A E E < -dE 30 60A 86 -5,-0.5 -5,-1.5 -36,-0.1 2,-0.3 -0.746 57.6-149.7-113.8 160.1 -9.6 1.0 -0.2 66 66 A I E -dE 31 59A 9 -36,-0.5 -34,-2.5 -2,-0.3 2,-0.4 -0.968 13.6-127.2-132.6 142.2 -6.6 2.0 -2.4 67 67 A D E -d 32 0A 19 -9,-1.5 -10,-3.0 -2,-0.3 -9,-0.4 -0.749 28.3-152.5 -84.7 133.3 -4.1 0.3 -4.7 68 68 A F E -dE 33 56A 1 -36,-2.2 -34,-0.7 -2,-0.4 2,-0.4 -0.830 6.7-160.5-108.8 146.9 -0.4 1.0 -3.9 69 69 A K E - E 0 55A 77 -14,-1.9 -14,-2.8 -2,-0.3 2,-0.4 -0.989 15.4-133.1-126.3 133.5 2.6 1.0 -6.3 70 70 A Y E - E 0 54A 8 -33,-2.3 -16,-0.2 -2,-0.4 4,-0.1 -0.704 26.3-170.8 -88.1 132.6 6.3 0.7 -5.3 71 71 A I - 0 0 15 -18,-0.7 -18,-0.1 -2,-0.4 -32,-0.0 -0.918 34.3-132.8-123.9 146.0 8.7 3.1 -7.0 72 72 A P S S+ 0 0 94 0, 0.0 2,-1.7 0, 0.0 -1,-0.1 0.639 92.3 91.7 -65.8 -14.7 12.5 3.4 -7.1 73 73 A L 0 0 122 -20,-0.0 -2,-0.1 1,-0.0 0, 0.0 -0.609 360.0 360.0 -81.7 79.9 11.9 7.1 -6.2 74 74 A E 0 0 136 -2,-1.7 -1,-0.0 -4,-0.1 -20,-0.0 -0.790 360.0 360.0 -97.6 360.0 12.1 6.7 -2.5