==== 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 UNKNOWN FUNCTION 26-FEB-07 2OZJ . COMPND 2 MOLECULE: CUPIN 2, CONSERVED BARREL; . SOURCE 2 ORGANISM_SCIENTIFIC: DESULFITOBACTERIUM HAFNIENSE; . AUTHOR JOINT CENTER FOR STRUCTURAL GENOMICS (JCSG) . 219 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12584.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 135 61.6 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 . 100 45.7 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 . 2 0.9 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 . 13 5.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 15 6.8 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 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 . 1 2 2 3 3 0 0 1 1 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 2 0 0 0 0 0 0 0 0 0 0 1 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 X 0 0 197 0, 0.0 2,-0.4 0, 0.0 32,-0.0 0.000 360.0 360.0 360.0 141.4 -13.1 44.8 2.2 2 2 A A + 0 0 71 32,-0.1 2,-0.3 30,-0.1 32,-0.2 -0.672 360.0 162.3 -79.7 130.1 -10.1 42.6 1.7 3 3 A R E -A 33 0A 110 30,-2.3 30,-3.1 -2,-0.4 2,-0.2 -0.998 37.4-126.0-151.3 148.9 -6.8 44.6 1.6 4 4 A L E +A 32 0A 117 -2,-0.3 2,-0.3 28,-0.2 28,-0.3 -0.609 39.5 173.0 -87.7 153.2 -3.1 44.1 1.9 5 5 A K + 0 0 33 26,-2.1 -2,-0.0 -2,-0.2 0, 0.0 -0.972 42.4 40.3-156.4 166.6 -1.3 46.2 4.5 6 6 A N S S+ 0 0 41 -2,-0.3 -1,-0.1 1,-0.2 26,-0.1 0.732 85.2 115.0 59.8 33.5 1.9 47.0 6.3 7 7 A L S S- 0 0 59 24,-0.1 -1,-0.2 -3,-0.0 2,-0.0 -0.937 73.9 -95.6-130.0 146.6 4.0 46.6 3.2 8 8 A P + 0 0 51 0, 0.0 5,-0.1 0, 0.0 -3,-0.0 -0.363 34.5 176.2 -67.4 142.8 6.0 49.1 1.3 9 9 A Q S S+ 0 0 186 3,-0.1 0, 0.0 2,-0.1 0, 0.0 0.550 79.7 27.6-115.4 -19.1 4.4 50.7 -1.7 10 10 A E S S+ 0 0 194 1,-0.3 0, 0.0 0, 0.0 0, 0.0 0.678 123.6 34.9-117.8 -29.7 7.0 53.2 -2.8 11 11 A R S S- 0 0 195 2,-0.0 -1,-0.3 0, 0.0 -2,-0.1 -0.959 81.4-131.5-128.0 116.7 10.4 51.8 -1.8 12 12 A P - 0 0 122 0, 0.0 -3,-0.1 0, 0.0 -5,-0.0 -0.289 27.2-176.9 -64.3 147.3 10.9 48.0 -1.9 13 13 A L - 0 0 85 -5,-0.1 2,-0.1 0, 0.0 5,-0.1 -0.976 35.0 -94.3-139.5 153.5 12.4 46.3 1.1 14 14 A P > - 0 0 87 0, 0.0 3,-1.1 0, 0.0 4,-0.3 -0.445 34.4-127.1 -65.9 141.5 13.4 42.8 1.9 15 15 A L G > S+ 0 0 55 1,-0.3 3,-2.0 2,-0.2 4,-0.3 0.906 108.0 58.5 -62.2 -37.6 10.6 41.0 3.6 16 16 A A G > S+ 0 0 19 1,-0.3 3,-1.0 2,-0.2 -1,-0.3 0.792 97.2 63.3 -60.7 -29.0 12.9 39.9 6.5 17 17 A S G < S+ 0 0 69 -3,-1.1 -1,-0.3 1,-0.2 -2,-0.2 0.608 87.5 71.4 -73.9 -10.2 13.7 43.6 7.2 18 18 A L G < S+ 0 0 33 -3,-2.0 2,-0.3 -4,-0.3 -1,-0.2 0.590 102.8 39.4 -84.8 -9.4 10.0 44.3 8.1 19 19 A I S < S- 0 0 4 -3,-1.0 -1,-0.1 -4,-0.3 2,-0.1 -1.000 75.1-136.0-139.8 137.5 10.2 42.4 11.4 20 20 A E - 0 0 62 -2,-0.3 2,-0.4 23,-0.1 7,-0.1 -0.395 16.9-133.4 -79.4 166.3 12.9 42.1 14.1 21 21 A A - 0 0 10 -2,-0.1 2,-0.4 81,-0.1 5,-0.1 -0.939 22.8-172.2-119.7 142.5 13.9 38.8 15.7 22 22 A R - 0 0 84 3,-0.4 79,-0.2 -2,-0.4 5,-0.1 -0.980 27.2-135.3-133.5 151.3 14.3 38.5 19.5 23 23 A E S S+ 0 0 81 -2,-0.4 22,-0.3 1,-0.2 25,-0.1 0.885 104.1 20.7 -69.4 -41.5 15.5 35.8 21.8 24 24 A N S S+ 0 0 77 20,-0.1 116,-0.4 115,-0.0 2,-0.3 0.334 113.5 70.6-119.2 3.1 12.8 36.0 24.4 25 25 A Q - 0 0 23 114,-0.1 2,-0.5 112,-0.0 -3,-0.4 -0.908 64.8-138.2-124.1 151.8 9.9 37.7 22.6 26 26 A V E -B 138 0B 19 112,-2.6 112,-2.3 -2,-0.3 2,-0.3 -0.940 22.4-166.5-107.2 128.6 7.5 36.7 19.9 27 27 A L E +BC 137 43B 3 16,-2.5 16,-2.0 -2,-0.5 2,-0.3 -0.895 7.5 178.7-116.6 144.8 6.7 39.4 17.3 28 28 A S E -BC 136 42B 32 108,-1.9 108,-2.1 -2,-0.3 2,-0.3 -0.997 10.3-174.1-143.3 150.6 3.9 39.3 14.7 29 29 A X E - C 0 41B 13 12,-2.2 12,-3.0 -2,-0.3 2,-0.3 -0.970 21.0-135.6-144.8 125.4 2.6 41.6 11.9 30 30 A A E - C 0 40B 30 104,-0.4 10,-0.3 -2,-0.3 3,-0.1 -0.666 15.0-174.8 -77.3 136.6 -0.5 41.1 9.8 31 31 A L + 0 0 5 8,-3.4 -26,-2.1 -2,-0.3 2,-0.3 0.343 68.5 43.2-109.6 1.3 -0.0 41.8 6.1 32 32 A A E -A 4 0A 12 7,-0.8 2,-0.6 -28,-0.3 -28,-0.2 -0.995 56.4-154.7-144.9 145.8 -3.7 41.4 5.1 33 33 A Q E +A 3 0A 96 -30,-3.1 -30,-2.3 -2,-0.3 2,-0.3 -0.971 53.4 131.3-110.9 101.9 -7.1 42.4 6.4 34 34 A S - 0 0 36 -2,-0.6 -32,-0.1 -32,-0.2 -2,-0.1 -0.994 58.5-149.3-155.4 147.6 -9.2 39.6 4.9 35 35 A D S S+ 0 0 94 -2,-0.3 3,-0.1 1,-0.1 -1,-0.1 0.570 104.7 46.7 -89.0 -15.4 -11.9 37.1 5.8 36 36 A R S S+ 0 0 50 1,-0.3 73,-2.0 72,-0.1 2,-0.4 0.657 117.9 26.1-100.8 -24.7 -10.6 34.7 3.1 37 37 A V E - D 0 108B 35 71,-0.2 2,-0.5 73,-0.1 -1,-0.3 -0.995 56.6-153.9-147.7 137.4 -6.8 34.7 3.7 38 38 A Q E - D 0 107B 76 69,-2.8 69,-2.8 -2,-0.4 2,-0.4 -0.962 16.2-179.3-109.1 127.2 -4.5 35.4 6.6 39 39 A I E + D 0 106B 32 -2,-0.5 -8,-3.4 -7,-0.2 -7,-0.8 -0.989 14.3 163.4-129.7 122.1 -1.0 36.6 5.8 40 40 A S E -CD 30 105B 23 65,-2.4 65,-2.8 -2,-0.4 2,-0.4 -0.983 34.2-140.1-141.6 150.4 1.4 37.3 8.6 41 41 A L E +CD 29 104B 0 -12,-3.0 -12,-2.2 -2,-0.3 2,-0.3 -0.900 30.0 179.2-104.1 138.3 5.0 37.8 9.5 42 42 A F E -CD 28 103B 56 61,-2.3 61,-3.0 -2,-0.4 2,-0.3 -0.980 12.0-175.7-135.7 151.0 6.3 36.1 12.7 43 43 A S E +CD 27 102B 0 -16,-2.0 -16,-2.5 -2,-0.3 2,-0.3 -0.988 18.9 134.4-143.3 141.4 9.5 35.8 14.5 44 44 A F E - D 0 101B 13 57,-1.3 57,-1.8 -2,-0.3 2,-0.4 -0.949 40.5-113.4-162.9-179.8 10.6 34.0 17.6 45 45 A A E > - D 0 100B 1 -22,-0.3 3,-2.2 -2,-0.3 55,-0.3 -0.936 66.2 -35.6-125.2 142.6 13.4 31.8 19.0 46 46 A D T 3 S- 0 0 74 53,-1.5 51,-2.6 -2,-0.4 3,-0.4 -0.104 119.2 -25.3 52.6-135.6 13.3 28.1 20.0 47 47 A G T 3 S+ 0 0 49 49,-0.2 -1,-0.2 1,-0.2 49,-0.0 0.043 94.0 124.9 -97.9 27.6 10.0 27.0 21.6 48 48 A E S < S+ 0 0 31 -3,-2.2 -1,-0.2 -25,-0.1 -2,-0.1 0.812 95.3 11.0 -57.9 -32.1 9.1 30.5 22.8 49 49 A S S S+ 0 0 69 -3,-0.4 -2,-0.1 -4,-0.2 47,-0.1 0.728 83.4 144.7-100.8 -77.8 5.8 30.1 21.0 50 50 A V + 0 0 60 45,-0.5 2,-0.3 -4,-0.3 46,-0.1 0.812 19.0 159.0 32.1 63.6 5.5 26.3 19.9 51 51 A S - 0 0 50 44,-0.1 44,-0.5 42,-0.0 2,-0.5 -0.747 47.8-110.3 -91.1 150.3 1.8 25.6 20.2 52 52 A E - 0 0 142 -2,-0.3 2,-0.3 42,-0.1 42,-0.2 -0.750 43.3-163.3 -77.2 130.9 0.3 22.6 18.3 53 53 A E B -N 93 0C 79 40,-3.8 40,-2.7 -2,-0.5 2,-0.3 -0.846 22.6-177.4-119.6 153.8 -1.9 24.1 15.6 54 54 A E - 0 0 97 -2,-0.3 2,-0.2 38,-0.2 38,-0.2 -0.839 16.2-164.5-149.7 107.6 -4.6 22.7 13.3 55 55 A Y - 0 0 57 36,-0.4 35,-3.5 -2,-0.3 36,-0.2 -0.614 25.0-135.7 -98.7 158.0 -6.1 25.0 10.8 56 56 A F S S+ 0 0 159 -2,-0.2 2,-0.2 33,-0.2 33,-0.1 0.699 90.4 42.0 -84.5 -17.7 -9.3 24.6 8.8 57 57 A G S S- 0 0 3 51,-0.3 33,-0.3 31,-0.1 -2,-0.2 -0.749 99.3 -78.8-122.9 169.6 -7.5 25.7 5.6 58 58 A D - 0 0 64 -2,-0.2 50,-2.8 31,-0.2 2,-0.4 -0.346 43.3-160.0 -66.1 147.2 -4.2 25.1 3.9 59 59 A T E -EF 87 107B 2 28,-2.1 28,-2.8 48,-0.2 2,-0.4 -0.975 9.8-158.2-130.2 138.1 -1.1 27.0 5.1 60 60 A L E -EF 86 106B 57 46,-2.6 46,-2.4 -2,-0.4 2,-0.4 -0.993 8.8-160.6-114.3 134.7 2.2 27.8 3.4 61 61 A Y E -EF 85 105B 1 24,-2.8 24,-2.0 -2,-0.4 2,-0.4 -0.918 5.1-171.3-108.3 133.6 5.2 28.6 5.6 62 62 A L E -EF 84 104B 49 42,-2.4 42,-2.6 -2,-0.4 2,-0.5 -0.989 18.1-139.3-127.8 118.3 8.2 30.5 4.1 63 63 A I E + F 0 103B 1 20,-2.7 19,-3.0 -2,-0.4 40,-0.2 -0.684 22.1 177.1 -81.4 124.3 11.3 30.8 6.1 64 64 A L E - 0 0 36 38,-2.7 2,-0.3 -2,-0.5 39,-0.2 0.788 66.4 -6.0 -94.6 -34.6 12.8 34.3 5.7 65 65 A Q E S+ F 0 102B 83 37,-1.4 37,-2.4 16,-0.1 -1,-0.4 -0.976 108.7 17.1-162.8 145.5 15.8 34.1 8.1 66 66 A G E S- F 0 101B 23 -2,-0.3 2,-0.3 35,-0.2 35,-0.2 -0.191 83.9 -71.8 78.4-176.1 17.1 31.6 10.6 67 67 A E E + F 0 98B 80 33,-0.7 31,-2.6 31,-0.6 2,-0.3 -0.878 44.0 178.2-121.1 154.1 16.2 27.9 10.9 68 68 A A E -GF 79 97B 0 11,-1.8 11,-2.9 -2,-0.3 2,-0.4 -0.884 18.6-139.7-145.6 170.3 13.1 26.2 12.1 69 69 A V E -GF 78 96B 26 27,-2.5 27,-2.2 -2,-0.3 2,-0.5 -0.996 10.4-155.3-138.3 133.2 11.7 22.7 12.6 70 70 A I E -GF 77 95B 0 7,-3.1 7,-3.3 -2,-0.4 2,-0.4 -0.943 10.3-159.7-111.2 134.6 8.1 21.6 11.9 71 71 A T E +GF 76 94B 67 23,-2.7 23,-1.7 -2,-0.5 2,-0.2 -0.946 20.4 152.5-115.4 131.1 6.6 18.6 13.7 72 72 A F E > -G 75 0B 26 3,-2.1 2,-2.6 -2,-0.4 3,-1.1 -0.801 61.7 -51.6-161.3 118.4 3.6 16.5 12.6 73 73 A D T 3 S+ 0 0 110 1,-0.3 3,-0.1 -2,-0.2 20,-0.1 -0.319 128.5 6.1 74.0 -72.4 2.4 12.9 13.1 74 74 A D T 3 S+ 0 0 94 -2,-2.6 2,-0.3 1,-0.1 -1,-0.3 0.434 119.3 51.8-123.6 -4.2 5.5 11.0 12.1 75 75 A Q E < -G 72 0B 118 -3,-1.1 -3,-2.1 2,-0.0 2,-0.5 -0.956 51.5-145.1-152.6 145.9 8.2 13.5 11.5 76 76 A K E -G 71 0B 70 -2,-0.3 2,-0.5 -5,-0.2 -5,-0.2 -0.992 30.0-162.7-109.1 121.1 10.4 16.5 12.3 77 77 A I E -G 70 0B 44 -7,-3.3 -7,-3.1 -2,-0.5 2,-0.3 -0.951 7.9-144.6-108.8 122.6 11.1 18.5 9.2 78 78 A D E -G 69 0B 97 -2,-0.5 2,-0.3 -9,-0.2 -9,-0.2 -0.652 14.8-163.6 -86.0 142.2 14.0 20.9 9.3 79 79 A L E -G 68 0B 4 -11,-2.9 -11,-1.8 -2,-0.3 3,-0.1 -0.949 7.5-171.6-130.4 144.4 13.8 24.2 7.4 80 80 A V > - 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