==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=18-MAR-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER STRUCTURAL GENOMICS, UNKNOWN FUNCTION 08-MAR-12 4E2G . COMPND 2 MOLECULE: CUPIN 2 CONSERVED BARREL DOMAIN PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: SPHAEROBACTER THERMOPHILUS; . AUTHOR C.CHANG,C.HATZOS-SKINTGES,R.JEDRZEJCZAK,A.JOACHIMIAK,MIDWEST . 931 8 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 41617.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 669 71.9 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 . 432 46.4 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 . 16 1.7 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 . 87 9.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 68 7.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 62 6.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 1 0.1 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 1 0 0 3 5 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 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 . 8 0 8 24 8 0 16 8 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 8 0 0 8 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 9 A F 0 0 101 0, 0.0 27,-0.1 0, 0.0 26,-0.1 0.000 360.0 360.0 360.0 177.7 10.9 33.9 117.8 2 10 A A - 0 0 71 25,-0.1 192,-0.1 193,-0.1 0, 0.0 -0.825 360.0 -98.0-101.9 144.2 7.7 32.0 116.7 3 11 A P - 0 0 53 0, 0.0 2,-0.3 0, 0.0 192,-0.2 -0.333 48.9-170.2 -55.4 138.5 7.2 30.5 113.2 4 12 A A E -A 194 0A 25 190,-1.4 190,-2.4 2,-0.0 2,-0.4 -0.993 19.4-154.2-139.8 144.5 5.3 32.9 111.0 5 13 A F E -A 193 0A 30 -2,-0.3 2,-0.4 188,-0.2 188,-0.2 -0.945 17.8-159.7-116.4 141.0 3.6 32.8 107.6 6 14 A Y E -A 192 0A 62 186,-3.3 186,-1.9 -2,-0.4 2,-0.6 -0.953 18.3-157.9-128.9 137.8 3.1 35.9 105.5 7 15 A D E >> -A 191 0A 50 -2,-0.4 3,-2.2 184,-0.2 4,-0.6 -0.977 19.6-146.3-106.6 118.8 0.8 36.9 102.7 8 16 A L G >4 S+ 0 0 28 182,-3.2 3,-0.6 -2,-0.6 183,-0.1 0.767 96.0 65.2 -59.6 -28.2 2.5 39.8 100.9 9 17 A T G 34 S+ 0 0 122 181,-0.3 -1,-0.3 1,-0.2 182,-0.1 0.668 106.7 44.9 -65.7 -15.8 -0.8 41.5 100.0 10 18 A E G <4 S+ 0 0 150 -3,-2.2 2,-0.6 2,-0.1 -1,-0.2 0.509 87.8 99.4-105.6 -9.2 -1.3 41.9 103.8 11 19 A V S << S- 0 0 24 -3,-0.6 14,-0.1 -4,-0.6 -5,-0.0 -0.719 77.3-124.0 -83.0 120.9 2.2 43.2 104.7 12 20 A R - 0 0 178 -2,-0.6 12,-0.4 100,-0.1 2,-0.2 -0.265 21.7-126.0 -71.3 150.2 2.0 47.0 105.0 13 21 A S - 0 0 69 10,-0.1 2,-0.3 8,-0.0 10,-0.2 -0.636 24.3-177.3 -98.8 148.8 4.3 49.2 102.9 14 22 A F B -G 22 0B 16 8,-2.4 8,-3.2 -2,-0.2 98,-0.1 -0.949 16.1-143.4-138.4 164.5 6.7 52.0 103.9 15 23 A S - 0 0 71 -2,-0.3 6,-0.1 6,-0.2 -2,-0.0 -0.938 12.7-177.9-134.2 111.4 8.9 54.4 102.1 16 24 A P S S+ 0 0 47 0, 0.0 -1,-0.1 0, 0.0 5,-0.1 0.664 81.3 4.6 -78.5 -12.7 12.4 55.4 103.5 17 25 A L S > S- 0 0 80 3,-0.4 3,-1.9 0, 0.0 0, 0.0 -0.952 96.6 -77.8-168.7 140.2 12.9 57.8 100.5 18 26 A P T 3 S+ 0 0 117 0, 0.0 3,-0.1 0, 0.0 -3,-0.0 -0.191 117.2 29.0 -48.3 137.9 10.9 59.1 97.5 19 27 A G T 3 S+ 0 0 24 1,-0.2 19,-2.5 18,-0.1 2,-0.4 0.335 102.7 97.5 91.0 -6.4 10.8 56.5 94.7 20 28 A F E < - H 0 37B 14 -3,-1.9 2,-0.4 17,-0.2 -3,-0.4 -0.966 45.3-179.3-119.4 129.4 11.2 53.5 97.1 21 29 A A E - H 0 36B 40 15,-2.3 15,-3.3 -2,-0.4 2,-0.3 -0.998 16.5-173.7-127.4 127.3 8.3 51.4 98.4 22 30 A X E -GH 14 35B 8 -8,-3.2 -8,-2.4 -2,-0.4 2,-0.4 -0.897 23.9-169.1-126.6 146.5 9.2 48.6 100.8 23 31 A Q E - H 0 34B 47 11,-1.6 11,-2.8 -2,-0.3 2,-0.4 -0.980 22.3-174.0-129.0 122.2 7.7 45.6 102.7 24 32 A A E + H 0 33B 10 -12,-0.4 2,-0.3 -2,-0.4 9,-0.2 -0.931 12.7 173.4-122.4 142.0 9.8 44.0 105.3 25 33 A I E - H 0 32B 12 7,-2.5 7,-2.7 -2,-0.4 2,-0.3 -0.940 12.3-167.0-133.3 157.9 9.4 40.9 107.5 26 34 A Q E - H 0 31B 72 -2,-0.3 5,-0.2 5,-0.2 168,-0.1 -0.999 23.4-168.5-148.4 149.9 11.9 39.4 109.9 27 35 A G - 0 0 10 3,-2.6 -1,-0.1 -2,-0.3 -25,-0.1 0.610 64.5 -79.3 -89.6-107.2 12.7 36.3 112.0 28 36 A K S S+ 0 0 144 -27,-0.1 3,-0.0 3,-0.0 0, 0.0 0.564 124.0 20.0-122.0 -55.0 15.6 37.0 114.4 29 37 A N S S+ 0 0 60 74,-0.2 2,-0.4 188,-0.1 -3,-0.0 0.598 120.8 65.8 -88.2 -16.4 18.8 36.7 112.3 30 38 A L - 0 0 2 72,-0.1 -3,-2.6 73,-0.1 2,-0.4 -0.913 53.8-175.2-118.8 135.9 17.0 37.2 108.9 31 39 A X E -HI 26 101B 1 70,-2.1 70,-2.2 -2,-0.4 2,-0.5 -0.994 8.8-160.2-123.0 135.7 15.1 40.1 107.3 32 40 A L E -HI 25 100B 1 -7,-2.7 -7,-2.5 -2,-0.4 2,-0.4 -0.972 11.8-174.9-115.0 129.8 13.3 39.8 104.0 33 41 A N E -HI 24 99B 0 66,-3.0 66,-3.3 -2,-0.5 2,-0.7 -0.953 15.5-156.1-134.6 107.4 12.6 43.2 102.2 34 42 A W E -HI 23 98B 10 -11,-2.8 -11,-1.6 -2,-0.4 2,-0.6 -0.783 20.4-167.3 -84.0 115.9 10.6 43.5 99.0 35 43 A V E -HI 22 97B 2 62,-3.3 62,-2.5 -2,-0.7 2,-0.6 -0.921 12.7-166.7-115.4 113.3 11.8 46.8 97.4 36 44 A R E -HI 21 96B 125 -15,-3.3 -15,-2.3 -2,-0.6 2,-0.5 -0.890 13.5-165.9 -95.8 121.4 9.9 48.4 94.5 37 45 A I E -HI 20 95B 14 58,-2.5 58,-2.2 -2,-0.6 -17,-0.2 -0.933 16.1-125.3-113.9 129.6 12.0 51.1 92.9 38 46 A E > - 0 0 114 -19,-2.5 3,-0.7 -2,-0.5 56,-0.2 -0.151 41.6 -80.4 -63.2 159.1 10.6 53.7 90.5 39 47 A P T 3 S+ 0 0 51 0, 0.0 53,-0.2 0, 0.0 -1,-0.1 -0.267 110.8 10.9 -57.2 147.8 12.0 54.3 87.0 40 48 A N T 3 S+ 0 0 92 51,-2.2 2,-0.4 1,-0.2 51,-0.2 0.827 92.7 146.7 51.7 46.6 15.2 56.4 86.7 41 49 A T < - 0 0 26 -3,-0.7 49,-2.0 50,-0.2 2,-0.4 -0.909 38.4-143.1-118.4 139.1 15.8 56.5 90.5 42 50 A E E -M 89 0C 124 -2,-0.4 47,-0.2 47,-0.2 45,-0.0 -0.847 2.9-152.3-102.6 133.9 19.2 56.6 92.2 43 51 A X E -M 88 0C 49 45,-3.5 45,-1.6 -2,-0.4 3,-0.1 -0.938 31.7-127.1 -98.5 111.1 20.1 54.8 95.5 44 52 A P E - 0 0 69 0, 0.0 42,-0.1 0, 0.0 2,-0.1 -0.169 36.3 -85.0 -56.3 148.8 22.9 56.9 97.0 45 53 A A E + 0 0 31 42,-0.1 2,-0.3 40,-0.1 42,-0.2 -0.330 61.3 162.2 -60.7 131.4 26.1 55.1 98.0 46 54 A H E -M 86 0C 99 40,-2.4 40,-2.2 -3,-0.1 2,-0.3 -0.941 28.1-154.7-144.6 164.3 26.0 53.5 101.4 47 55 A E - 0 0 100 -2,-0.3 38,-0.1 38,-0.2 35,-0.1 -0.969 14.9-175.3-136.9 148.9 27.8 50.9 103.6 48 56 A H - 0 0 43 -2,-0.3 35,-3.2 36,-0.3 36,-0.3 -0.988 33.9-128.9-143.3 149.4 26.2 48.9 106.5 49 57 A P S S+ 0 0 110 0, 0.0 33,-0.2 0, 0.0 2,-0.1 0.752 85.7 93.7 -70.2 -21.5 27.6 46.4 109.0 50 58 A H S S- 0 0 22 32,-0.1 33,-0.3 31,-0.1 2,-0.2 -0.404 83.4-117.3 -67.8 142.8 24.7 44.0 108.1 51 59 A E E -J 102 0B 10 51,-2.9 51,-2.1 31,-0.1 2,-0.3 -0.607 35.4-160.1 -77.3 144.0 25.3 41.4 105.4 52 60 A Q E +JK 101 80B 9 28,-2.4 28,-3.0 -2,-0.2 2,-0.3 -0.943 18.8 174.4-126.7 146.9 23.1 41.8 102.4 53 61 A A E -JK 100 79B 0 47,-2.1 47,-3.3 -2,-0.3 2,-0.3 -0.941 13.1-160.8-137.3 163.2 21.9 39.6 99.5 54 62 A G E -JK 99 78B 0 24,-2.2 24,-2.1 -2,-0.3 2,-0.4 -0.999 11.6-161.3-148.8 147.4 19.4 40.4 96.8 55 63 A V E -JK 98 77B 7 43,-2.4 43,-3.1 -2,-0.3 22,-0.2 -0.988 24.6-129.1-131.1 119.3 17.3 38.6 94.3 56 64 A X E +J 97 0B 4 20,-2.0 19,-0.6 -2,-0.4 41,-0.2 -0.486 30.9 168.6 -67.2 132.1 15.8 40.3 91.2 57 65 A L E - 0 0 46 39,-2.8 2,-0.3 1,-0.4 40,-0.2 0.747 63.5 -0.3-110.7 -45.8 12.1 39.8 90.8 58 66 A E E S-J 96 0B 95 38,-2.0 38,-2.3 15,-0.0 -1,-0.4 -0.979 104.7 -0.9-142.8 153.3 11.0 42.3 88.1 59 67 A G E S-J 95 0B 21 -2,-0.3 2,-0.4 36,-0.3 36,-0.3 -0.255 85.4 -52.3 75.3-150.6 12.6 45.0 85.9 60 68 A T - 0 0 9 34,-2.0 31,-0.5 13,-0.1 2,-0.4 -0.984 39.6-176.0-139.6 136.7 16.2 46.1 85.8 61 69 A L E -N 72 0C 5 11,-2.5 11,-3.8 -2,-0.4 2,-0.7 -0.980 17.0-149.6-138.5 124.8 18.8 47.3 88.3 62 70 A E E -NO 71 89C 18 27,-3.0 27,-2.0 -2,-0.4 2,-0.4 -0.854 26.9-171.7 -88.0 116.9 22.3 48.6 87.8 63 71 A L E -NO 70 88C 2 7,-3.1 7,-2.7 -2,-0.7 2,-0.5 -0.938 15.2-164.1-116.6 131.7 24.2 47.7 90.9 64 72 A T E -NO 69 87C 4 23,-3.0 23,-1.7 -2,-0.4 2,-0.5 -0.960 7.5-176.6-109.9 120.3 27.8 48.8 91.9 65 73 A I E > -NO 68 86C 4 3,-2.8 3,-2.2 -2,-0.5 21,-0.2 -0.982 62.3 -54.5-117.3 122.7 29.5 46.8 94.6 66 74 A G T 3 S- 0 0 36 19,-3.1 21,-0.0 -2,-0.5 14,-0.0 -0.318 126.2 -11.8 46.8-109.9 32.9 48.0 95.7 67 75 A E T 3 S+ 0 0 150 -2,-0.2 2,-0.3 798,-0.1 -1,-0.3 0.674 120.5 83.2 -89.5 -21.1 34.8 48.1 92.3 68 76 A E E < -N 65 0C 65 -3,-2.2 -3,-2.8 2,-0.0 2,-0.4 -0.702 53.5-164.5 -99.9 139.1 32.4 46.2 90.1 69 77 A T E +N 64 0C 65 -2,-0.3 2,-0.3 -5,-0.2 -5,-0.2 -0.970 15.3 169.2-117.0 130.0 29.3 47.4 88.2 70 78 A R E -N 63 0C 90 -7,-2.7 -7,-3.1 -2,-0.4 2,-0.6 -0.991 32.6-129.6-138.3 149.1 26.7 45.0 86.8 71 79 A V E -N 62 0C 17 -2,-0.3 2,-0.3 -9,-0.2 -9,-0.3 -0.878 32.2-157.4 -95.4 122.6 23.2 45.3 85.3 72 80 A L E +N 61 0C 0 -11,-3.8 -11,-2.5 -2,-0.6 50,-0.1 -0.818 17.3 170.1-110.5 143.6 20.8 42.9 87.0 73 81 A R > - 0 0 9 -2,-0.3 3,-1.8 -13,-0.2 -17,-0.3 -0.870 52.0 -58.6-139.2 166.5 17.5 41.4 85.8 74 82 A P T 3 S+ 0 0 52 0, 0.0 -17,-0.1 0, 0.0 3,-0.1 -0.276 123.7 45.8 -54.6 136.1 15.2 38.6 87.0 75 83 A G T 3 S+ 0 0 32 -19,-0.6 48,-2.3 1,-0.4 49,-0.3 0.111 101.2 94.2 109.5 -14.4 17.2 35.3 87.1 76 84 A X E < - L 0 122B 15 -3,-1.8 -20,-2.0 46,-0.2 -1,-0.4 -0.727 48.7-177.6-115.2 161.4 20.1 37.1 88.8 77 85 A A E -KL 55 121B 0 44,-2.2 44,-3.0 -2,-0.2 2,-0.3 -0.916 7.4-153.8-147.7 166.3 21.2 37.7 92.4 78 86 A Y E -KL 54 120B 5 -24,-2.1 -24,-2.2 -2,-0.3 2,-0.4 -0.987 5.4-150.4-146.9 157.2 24.0 39.5 94.4 79 87 A T E -KL 53 119B 7 40,-2.3 40,-1.7 -2,-0.3 -26,-0.2 -0.999 8.4-170.5-131.2 133.8 25.9 39.3 97.7 80 88 A I E -K 52 0B 3 -28,-3.0 -28,-2.4 -2,-0.4 3,-0.1 -0.961 17.9-139.1-125.2 111.3 27.3 42.3 99.7 81 89 A P > - 0 0 38 0, 0.0 3,-1.7 0, 0.0 -33,-0.2 -0.275 41.2 -82.1 -62.6 154.7 29.6 41.7 102.7 82 90 A G T 3 S+ 0 0 40 1,-0.2 -31,-0.1 -33,-0.2 -32,-0.1 -0.330 116.2 18.5 -54.5 135.1 29.2 43.9 105.8 83 91 A G T 3 S+ 0 0 40 -35,-3.2 2,-0.4 -33,-0.3 -1,-0.2 0.262 89.1 131.8 88.4 -10.5 31.0 47.2 105.4 84 92 A V < - 0 0 35 -3,-1.7 -36,-0.3 -36,-0.3 -1,-0.2 -0.616 58.0-121.0 -82.8 130.8 31.3 47.1 101.6 85 93 A R + 0 0 128 -2,-0.4 -19,-3.1 -38,-0.1 2,-0.3 -0.438 40.4 164.8 -74.2 138.5 30.3 50.2 99.7 86 94 A H E +MO 46 65C 10 -40,-2.2 -40,-2.4 -21,-0.2 2,-0.3 -0.993 15.9 178.7-152.2 153.7 27.5 50.0 97.1 87 95 A R E - O 0 64C 130 -23,-1.7 -23,-3.0 -2,-0.3 2,-0.3 -0.950 9.7-165.3-148.0 165.5 25.1 52.1 95.1 88 96 A A E -MO 43 63C 7 -45,-1.6 -45,-3.5 -2,-0.3 2,-0.3 -0.979 8.1-167.8-151.8 159.8 22.4 51.5 92.5 89 97 A R E -MO 42 62C 81 -27,-2.0 -27,-3.0 -2,-0.3 2,-0.2 -0.989 12.4-143.1-148.5 152.2 20.2 53.0 89.8 90 98 A T - 0 0 4 -49,-2.0 -29,-0.1 -2,-0.3 2,-0.1 -0.651 12.0-150.5-106.0 167.4 17.2 52.0 87.8 91 99 A F > - 0 0 29 -31,-0.5 -51,-2.2 -2,-0.2 3,-0.7 -0.093 55.3 -45.6-115.2-145.1 16.3 52.8 84.2 92 100 A E T 3 S+ 0 0 103 1,-0.2 -2,-0.0 -53,-0.2 0, 0.0 0.771 133.0 45.9 -64.8 -29.1 13.0 53.2 82.3 93 101 A D T 3 S- 0 0 91 1,-0.2 -1,-0.2 -55,-0.1 -3,-0.0 0.667 90.1-152.1 -89.0 -17.3 11.3 50.1 83.7 94 102 A G < - 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