==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER STRUCTURAL GENOMICS, UNKNOWN FUNCTION 16-JUL-09 3IBM . COMPND 2 MOLECULE: CUPIN 2, CONSERVED BARREL DOMAIN PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: HALORHODOSPIRA HALOPHILA SL1; . AUTHOR Y.PATSKOVSKY,R.TORO,J.FREEMAN,S.MILLER,J.M.SAUDER,S.K.BURLEY . 291 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14650.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 180 61.9 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 . 109 37.5 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 . 5 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 . 24 8.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 19 6.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 18 6.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 0.7 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 2 2 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 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 . 7 2 2 3 5 2 0 2 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 . 2 0 0 2 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 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 6 A H 0 0 237 0, 0.0 91,-0.0 0, 0.0 2,-0.0 0.000 360.0 360.0 360.0 155.8 29.4 4.8 24.4 2 7 A E - 0 0 50 1,-0.1 2,-0.3 91,-0.0 178,-0.1 -0.270 360.0-125.4 -74.2 150.3 29.9 6.9 21.3 3 8 A A - 0 0 73 89,-0.1 2,-0.2 88,-0.1 -1,-0.1 -0.699 21.4-118.1 -91.0 143.3 31.6 6.0 18.1 4 9 A S - 0 0 36 -2,-0.3 2,-0.4 88,-0.1 87,-0.2 -0.548 35.1-151.9 -71.6 147.4 34.5 7.9 16.5 5 10 A R E -A 90 0A 80 85,-1.9 85,-3.2 -2,-0.2 2,-0.5 -0.986 17.0-157.9-131.0 134.5 33.5 9.2 13.0 6 11 A V E -A 89 0A 24 -2,-0.4 2,-0.6 83,-0.2 83,-0.2 -0.964 11.4-171.2-103.8 122.7 35.5 10.1 9.9 7 12 A L E -A 88 0A 3 81,-3.6 81,-3.1 -2,-0.5 2,-0.1 -0.907 10.3-159.0-113.6 98.9 33.6 12.5 7.6 8 13 A R - 0 0 77 -2,-0.6 7,-2.8 79,-0.2 2,-0.4 -0.490 9.3-144.1 -77.9 150.2 35.5 12.8 4.3 9 14 A E E +G 14 0B 31 75,-0.3 2,-0.3 5,-0.2 5,-0.2 -0.889 20.9 177.4-119.6 143.1 34.9 15.8 2.2 10 15 A R E > S-G 13 0B 194 3,-2.3 3,-1.1 -2,-0.4 76,-0.1 -0.952 78.0 -14.4-141.5 129.8 34.7 16.5 -1.6 11 16 A D T 3 S- 0 0 109 -2,-0.3 3,-0.1 1,-0.3 -1,-0.0 0.853 129.4 -51.3 48.7 44.9 33.9 19.9 -3.0 12 17 A Y T 3 S+ 0 0 52 1,-0.2 2,-0.4 200,-0.0 -1,-0.3 0.775 114.1 115.3 64.5 30.9 32.6 21.2 0.3 13 18 A R E < -G 10 0B 138 -3,-1.1 -3,-2.3 6,-0.0 2,-0.5 -0.996 52.9-152.5-125.5 125.0 30.3 18.3 1.0 14 19 A W E > -G 9 0B 4 -2,-0.4 3,-1.3 -5,-0.2 -5,-0.2 -0.847 19.1-121.8 -98.7 130.6 31.0 16.0 3.9 15 20 A E T 3 S+ 0 0 99 -7,-2.8 3,-0.1 -2,-0.5 -7,-0.0 -0.446 96.8 35.8 -67.4 140.7 29.9 12.4 3.7 16 21 A G T 3 S+ 0 0 55 1,-0.3 2,-0.3 -2,-0.1 -1,-0.2 0.298 107.2 79.3 97.4 -8.7 27.5 11.4 6.6 17 22 A T < - 0 0 19 -3,-1.3 2,-0.3 154,-0.0 -1,-0.3 -0.904 69.6-135.8-125.0 157.3 25.8 14.8 6.7 18 23 A E - 0 0 143 -2,-0.3 2,-0.5 154,-0.2 154,-0.4 -0.872 21.5-115.4-112.3 148.1 23.1 16.4 4.5 19 24 A E 0 0 102 -2,-0.3 152,-0.2 152,-0.1 -6,-0.0 -0.726 360.0 360.0 -78.9 121.8 22.9 19.9 3.1 20 25 A E 0 0 128 150,-2.6 150,-2.7 -2,-0.5 0, 0.0 -0.919 360.0 360.0-122.7 360.0 20.0 21.6 4.8 21 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 22 35 A S 0 0 94 0, 0.0 31,-2.0 0, 0.0 27,-0.1 0.000 360.0 360.0 360.0 -17.3 58.5 14.3 16.0 23 36 A G - 0 0 46 29,-0.2 26,-0.6 1,-0.1 2,-0.3 0.385 360.0 -76.0 -74.8-157.5 55.6 16.2 17.6 24 37 A A E -B 48 0A 25 24,-0.1 2,-0.6 143,-0.1 24,-0.2 -0.802 22.6-133.1-112.1 146.5 53.4 19.1 16.5 25 38 A R E -B 47 0A 98 22,-3.1 22,-2.1 -2,-0.3 2,-0.4 -0.885 33.7-152.0 -93.9 119.3 53.8 22.9 16.3 26 39 A R E -BC 46 166A 84 140,-2.7 140,-2.4 -2,-0.6 2,-0.4 -0.742 21.4-175.1-100.2 135.1 50.7 24.5 17.8 27 40 A Q E -B 45 0A 6 18,-3.0 18,-2.9 -2,-0.4 2,-0.7 -0.978 19.4-147.4-119.3 117.7 49.0 27.8 17.2 28 41 A T E +B 44 0A 24 136,-0.5 16,-0.2 -2,-0.4 3,-0.2 -0.748 19.0 179.0 -82.1 115.3 46.1 28.6 19.6 29 42 A L E S+ 0 0 1 14,-2.1 2,-0.4 -2,-0.7 15,-0.2 0.914 73.2 8.2 -85.7 -48.0 43.7 30.5 17.5 30 43 A V E S+B 43 0A 0 13,-1.9 13,-2.8 203,-0.0 -1,-0.3 -0.955 93.9 122.4-136.4 114.4 40.9 31.1 20.0 31 44 A G > - 0 0 1 -2,-0.4 5,-2.5 -3,-0.2 4,-0.4 -0.979 67.9 -89.5-162.3 173.9 41.7 30.0 23.6 32 45 A R T > 5S+ 0 0 117 -2,-0.3 3,-1.4 3,-0.2 5,-0.1 0.858 110.9 62.2 -62.5 -42.8 42.0 30.7 27.3 33 46 A P T 3 5S+ 0 0 113 0, 0.0 -1,-0.2 0, 0.0 4,-0.1 0.923 107.4 45.3 -53.4 -45.8 45.7 31.8 27.4 34 47 A A T 3 5S- 0 0 65 -3,-0.1 -2,-0.2 2,-0.1 3,-0.1 0.543 131.1 -96.5 -71.0 -10.3 45.0 34.8 25.1 35 48 A G T < 5S+ 0 0 34 -3,-1.4 2,-1.5 -4,-0.4 3,-0.3 0.543 80.5 135.6 107.3 9.5 41.9 35.6 27.2 36 49 A Q < + 0 0 9 -5,-2.5 -1,-0.2 1,-0.2 -2,-0.1 -0.642 17.9 147.0 -87.0 81.6 39.0 33.9 25.3 37 50 A E + 0 0 105 -2,-1.5 -1,-0.2 1,-0.1 -5,-0.1 0.701 50.6 78.6 -87.3 -26.0 37.4 32.5 28.5 38 51 A A S S+ 0 0 42 -3,-0.3 -1,-0.1 2,-0.1 168,-0.1 0.853 75.2 78.1 -56.2 -46.8 33.8 32.7 27.2 39 52 A P S S- 0 0 3 0, 0.0 146,-0.1 0, 0.0 219,-0.0 -0.292 74.7-134.4 -69.6 156.9 33.6 29.7 24.9 40 53 A A S S+ 0 0 33 144,-0.2 76,-2.6 76,-0.1 77,-0.5 0.387 89.9 49.2 -80.5 1.9 33.1 26.2 26.1 41 54 A F E S- D 0 115A 1 74,-0.3 2,-0.4 75,-0.2 74,-0.3 -0.934 71.4-136.4-142.7 156.8 35.8 25.1 23.7 42 55 A E E - D 0 114A 10 72,-3.0 72,-2.1 -2,-0.3 2,-0.5 -0.939 16.4-148.0-118.4 146.0 39.3 26.0 22.5 43 56 A T E +BD 30 113A 1 -13,-2.8 -14,-2.1 -2,-0.4 -13,-1.9 -0.952 22.7 170.9-123.0 117.6 40.4 26.1 18.8 44 57 A R E -BD 28 112A 20 68,-2.4 68,-3.1 -2,-0.5 2,-0.5 -0.868 27.4-142.6-128.3 154.3 43.9 25.3 17.7 45 58 A Y E -BD 27 111A 1 -18,-2.9 -18,-3.0 -2,-0.3 2,-0.4 -0.982 20.8-165.7-112.3 131.9 45.9 24.7 14.6 46 59 A F E -BD 26 110A 36 64,-2.8 64,-2.5 -2,-0.5 2,-0.4 -0.943 4.4-162.9-115.3 140.4 48.5 22.0 14.7 47 60 A E E -BD 25 109A 34 -22,-2.1 -22,-3.1 -2,-0.4 2,-0.5 -0.991 3.9-169.5-122.5 129.0 51.3 21.4 12.2 48 61 A V E -BD 24 108A 0 60,-3.0 60,-3.0 -2,-0.4 -24,-0.1 -0.970 23.2-124.1-119.1 126.9 53.3 18.2 11.9 49 62 A E > - 0 0 157 -26,-0.6 3,-2.7 -2,-0.5 52,-0.3 -0.348 48.5 -79.1 -64.7 147.6 56.4 17.8 9.8 50 63 A P T 3 S+ 0 0 42 0, 0.0 52,-0.2 0, 0.0 -1,-0.1 -0.220 123.1 21.1 -53.0 132.1 56.4 15.1 7.1 51 64 A G T 3 S+ 0 0 66 50,-2.2 51,-0.1 1,-0.3 -2,-0.1 0.292 103.5 122.1 89.3 -7.9 57.1 11.7 8.8 52 65 A G < - 0 0 7 -3,-2.7 49,-2.6 -29,-0.1 -1,-0.3 -0.221 42.1-163.4 -83.6 172.9 56.0 13.1 12.2 53 66 A Y B -H 100 0C 39 -31,-2.0 47,-0.2 47,-0.2 2,-0.1 -0.990 18.3-121.1-153.7 151.8 53.3 12.0 14.6 54 67 A T - 0 0 26 45,-2.3 2,-0.4 -2,-0.3 89,-0.2 -0.324 54.4 -76.1 -78.9 173.6 51.3 13.2 17.6 55 68 A T - 0 0 73 -2,-0.1 2,-0.4 43,-0.1 42,-0.1 -0.620 43.5-121.3 -78.1 128.2 51.4 11.4 20.9 56 69 A L + 0 0 5 87,-0.5 2,-0.3 -2,-0.4 42,-0.2 -0.610 60.4 131.6 -68.3 121.7 49.4 8.1 21.0 57 70 A E B -I 97 0C 37 40,-1.8 40,-2.4 -2,-0.4 2,-0.3 -0.952 44.4-141.4-162.1 168.5 46.9 8.7 23.8 58 71 A R B +L 122 0D 68 64,-1.9 64,-3.1 -2,-0.3 2,-0.3 -0.960 21.7 164.3-141.8 158.8 43.4 8.5 25.1 59 72 A H - 0 0 5 -2,-0.3 35,-3.0 36,-0.3 36,-0.3 -0.963 47.1-106.3-165.1 164.1 41.3 10.8 27.3 60 73 A E S S+ 0 0 122 -2,-0.3 -1,-0.1 33,-0.2 35,-0.1 0.859 94.8 82.8 -67.6 -37.1 37.6 11.5 28.3 61 74 A H S S- 0 0 16 32,-0.1 33,-0.3 1,-0.1 -2,-0.2 -0.322 78.0-126.3 -71.5 153.6 37.4 14.7 26.3 62 75 A T - 0 0 2 120,-0.1 53,-0.4 31,-0.1 2,-0.4 -0.419 10.9-142.1 -94.9 166.4 36.7 14.6 22.5 63 76 A H E -E 91 0A 19 28,-1.6 28,-2.8 -2,-0.1 2,-0.5 -0.980 5.8-164.6-121.4 144.8 38.5 16.0 19.5 64 77 A V E -EF 90 113A 2 49,-1.7 49,-2.7 -2,-0.4 2,-0.4 -0.990 21.7-173.9-119.0 120.0 37.0 17.5 16.4 65 78 A V E -EF 89 112A 3 24,-2.7 24,-2.8 -2,-0.5 2,-0.4 -0.910 15.7-173.1-113.9 136.4 39.7 17.6 13.7 66 79 A M E -EF 88 111A 4 45,-2.2 45,-3.3 -2,-0.4 2,-0.3 -0.974 22.3-138.1-124.8 120.4 39.6 19.2 10.3 67 80 A V E + F 0 110A 1 20,-2.3 19,-0.6 -2,-0.4 43,-0.3 -0.602 30.6 165.8 -73.0 128.9 42.6 18.6 8.0 68 81 A V E + 0 0 9 41,-2.5 2,-0.3 -2,-0.3 42,-0.2 0.467 61.1 35.3-120.8 -9.0 43.5 21.8 6.2 69 82 A R E S- F 0 109A 42 40,-2.1 40,-2.4 37,-0.0 -1,-0.3 -0.981 103.2 -22.2-150.6 133.3 47.0 21.0 4.9 70 83 A G S S- 0 0 11 -2,-0.3 2,-0.4 38,-0.2 38,-0.2 -0.218 85.5 -48.1 77.0-155.9 48.8 17.9 3.6 71 84 A H E -J 102 0C 99 31,-0.8 31,-1.9 35,-0.4 2,-0.3 -0.944 50.2-172.3-125.4 143.8 48.0 14.3 4.1 72 85 A A E -JK 101 83C 2 11,-2.6 11,-3.0 -2,-0.4 2,-0.4 -0.930 19.2-159.3-131.7 153.8 47.3 12.4 7.3 73 86 A E E -JK 100 82C 62 27,-1.6 27,-2.2 -2,-0.3 2,-0.4 -0.982 22.2-162.8-125.9 124.5 46.8 8.9 8.6 74 87 A V E -JK 99 81C 1 7,-2.7 7,-2.9 -2,-0.4 2,-0.6 -0.900 14.1-143.6-110.4 133.9 44.9 8.7 11.9 75 88 A V E +JK 98 80C 0 23,-2.9 23,-1.1 -2,-0.4 2,-0.4 -0.856 20.0 178.7 -85.7 122.2 44.8 5.8 14.3 76 89 A L E > -JK 97 79C 12 3,-2.5 3,-1.4 -2,-0.6 2,-0.4 -0.827 61.2 -71.1-128.8 93.8 41.3 5.6 15.9 77 90 A D T 3 S- 0 0 66 19,-2.7 -1,-0.1 -2,-0.4 18,-0.0 -0.466 122.7 -1.2 51.5-110.6 41.3 2.6 18.2 78 91 A D T 3 S+ 0 0 89 -2,-0.4 2,-0.3 -3,-0.1 -1,-0.2 0.310 121.9 82.6 -89.1 8.1 41.4 -0.4 15.8 79 92 A R E < -K 76 0C 143 -3,-1.4 -3,-2.5 58,-0.1 2,-0.5 -0.859 57.2-155.9-117.8 147.0 41.3 1.6 12.6 80 93 A V E -K 75 0C 36 -2,-0.3 -5,-0.2 -5,-0.2 58,-0.0 -0.988 23.7-170.0-118.4 119.1 43.9 3.4 10.4 81 94 A E E -K 74 0C 43 -7,-2.9 -7,-2.7 -2,-0.5 2,-0.1 -0.941 17.0-138.6-121.1 118.8 42.3 6.2 8.3 82 95 A P E -K 73 0C 70 0, 0.0 2,-0.3 0, 0.0 -9,-0.2 -0.480 26.7-169.8 -68.0 141.8 43.8 8.2 5.5 83 96 A L E +K 72 0C 4 -11,-3.0 -11,-2.6 -2,-0.1 -75,-0.0 -0.990 16.6 172.3-137.9 144.5 42.9 12.0 5.5 84 97 A T > - 0 0 59 -2,-0.3 3,-2.7 -13,-0.2 -75,-0.3 -0.934 50.4 -41.3-137.9 160.9 43.2 14.9 3.1 85 98 A P T 3 S+ 0 0 49 0, 0.0 -17,-0.2 0, 0.0 3,-0.1 -0.424 121.9 16.8 -63.4 138.4 41.8 18.5 3.4 86 99 A L T 3 S+ 0 0 18 -19,-0.6 -76,-0.1 1,-0.1 -18,-0.1 -0.682 85.3 132.3-111.9 45.2 39.0 19.1 4.4 87 100 A D < - 0 0 5 -3,-2.7 -20,-2.3 -78,-0.2 2,-0.4 -0.226 43.3-145.5 -55.4 138.3 38.1 15.8 6.0 88 101 A C E -AE 7 66A 0 -81,-3.1 -81,-3.6 -22,-0.2 2,-0.4 -0.856 11.4-164.2-109.4 141.4 36.6 16.0 9.4 89 102 A V E -AE 6 65A 2 -24,-2.8 -24,-2.7 -2,-0.4 2,-0.6 -0.992 9.8-158.3-128.4 126.5 37.2 13.6 12.3 90 103 A Y E -AE 5 64A 1 -85,-3.2 -85,-1.9 -2,-0.4 2,-0.7 -0.928 11.4-159.4 -96.3 117.1 35.2 13.2 15.5 91 104 A I E - E 0 63A 2 -28,-2.8 -28,-1.6 -2,-0.6 3,-0.1 -0.907 18.0-144.9 -98.7 109.5 37.4 11.4 18.1 92 105 A A > - 0 0 3 -2,-0.7 3,-1.6 -30,-0.2 -88,-0.1 -0.148 34.3 -66.7 -72.2 164.5 35.0 10.0 20.7 93 106 A P T 3 S+ 0 0 35 0, 0.0 -33,-0.2 0, 0.0 -1,-0.2 -0.291 115.8 1.7 -55.9 132.1 35.6 9.7 24.4 94 107 A H T 3 S+ 0 0 108 -35,-3.0 2,-0.3 -33,-0.3 -34,-0.1 0.488 88.8 143.3 71.4 9.5 38.4 7.3 25.4 95 108 A A < - 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