==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=6-SEP-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LYASE 10-APR-13 4BIF . COMPND 2 MOLECULE: CUPIN 2 CONSERVED BARREL DOMAIN PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: GRANULICELLA TUNDRICOLA; . AUTHOR I.HAJNAL,A.LYSKOWSKI,U.HANEFELD,K.GRUBER,H.SCHWAB,K.STEINER . 1048 8 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 40122.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 718 68.5 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 . 477 45.5 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 . 16 1.5 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 . 98 9.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 70 6.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 20 1.9 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 2 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 . 20 25 15 8 8 2 14 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 0 0 0 16 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 51 0, 0.0 2,-0.4 0, 0.0 219,-0.2 0.000 360.0 360.0 360.0 121.8 51.9 -23.9 12.3 2 2 A E E -A 219 0A 95 217,-1.7 217,-2.6 2,-0.0 2,-0.5 -0.940 360.0-162.8-124.3 135.6 49.3 -25.4 14.7 3 3 A I E -A 218 0A 32 -2,-0.4 2,-0.8 215,-0.2 215,-0.2 -0.981 9.2-159.3-121.8 125.3 45.7 -26.4 14.0 4 4 A K E -A 217 0A 79 213,-2.7 213,-2.2 -2,-0.5 3,-0.1 -0.912 29.7-139.6 -96.1 110.2 43.1 -27.0 16.7 5 5 A R > - 0 0 44 -2,-0.8 3,-2.0 211,-0.2 4,-0.2 -0.306 28.6 -84.8 -72.0 151.0 40.5 -29.1 14.8 6 6 A V T 3 S+ 0 0 17 1,-0.3 -1,-0.1 2,-0.1 210,-0.1 -0.265 117.5 22.7 -54.8 135.9 36.7 -28.6 15.3 7 7 A G T 3 S+ 0 0 19 2,-0.2 -1,-0.3 208,-0.2 358,-0.1 0.451 93.5 103.0 83.3 2.2 35.5 -30.5 18.3 8 8 A S < + 0 0 45 -3,-2.0 2,-0.6 1,-0.1 -2,-0.1 0.550 67.2 70.1 -93.5 -7.0 38.9 -30.6 20.1 9 9 A Q S S- 0 0 43 -4,-0.2 -2,-0.2 18,-0.1 -1,-0.1 -0.930 85.3-128.2-114.6 112.8 38.2 -27.8 22.6 10 10 A A - 0 0 32 -2,-0.6 356,-0.2 925,-0.2 2,-0.2 -0.184 20.6-115.0 -55.5 142.7 35.7 -28.7 25.3 11 11 A S - 0 0 22 354,-2.3 2,-0.3 15,-0.1 15,-0.2 -0.534 36.5-166.9 -71.0 145.6 32.7 -26.5 25.9 12 12 A G E -G 25 0B 30 13,-1.6 13,-3.1 -2,-0.2 2,-0.4 -0.819 16.0-115.0-130.4 173.0 32.7 -24.9 29.4 13 13 A K E -G 24 0B 191 -2,-0.3 11,-0.2 11,-0.2 9,-0.1 -0.862 26.9-113.0-112.9 143.2 30.2 -23.0 31.6 14 14 A G - 0 0 14 9,-2.3 9,-0.3 -2,-0.4 2,-0.1 -0.606 39.3-117.0 -72.2 127.7 30.3 -19.4 32.7 15 15 A P >> - 0 0 58 0, 0.0 3,-2.4 0, 0.0 4,-0.9 -0.419 20.0-118.9 -67.4 141.0 30.8 -19.3 36.5 16 16 A A T 34 S+ 0 0 82 1,-0.3 5,-0.1 2,-0.2 -2,-0.1 0.635 110.3 66.0 -59.2 -14.7 27.9 -17.7 38.4 17 17 A D T 34 S+ 0 0 129 1,-0.2 -1,-0.3 3,-0.0 3,-0.1 0.753 112.6 31.6 -72.8 -25.1 30.2 -14.9 39.8 18 18 A W T <4 S+ 0 0 108 -3,-2.4 33,-1.9 1,-0.1 2,-0.3 0.478 121.7 45.0-114.1 -7.0 30.7 -13.6 36.3 19 19 A F E < -M 50 0C 13 -4,-0.9 2,-0.5 31,-0.2 31,-0.2 -0.989 58.6-144.6-143.3 145.2 27.3 -14.4 34.7 20 20 A T E S-M 49 0C 40 29,-2.8 29,-2.2 -2,-0.3 -3,-0.0 -0.955 77.9 -4.6-101.8 128.1 23.6 -14.2 35.4 21 21 A G S S- 0 0 52 -2,-0.5 2,-0.5 27,-0.2 26,-0.1 -0.232 109.1 -27.3 86.1-172.8 21.9 -17.2 33.8 22 22 A T + 0 0 98 24,-0.2 23,-2.7 -9,-0.1 2,-0.4 -0.692 61.5 169.5 -93.5 127.4 23.2 -20.0 31.6 23 23 A V E - H 0 44B 4 -2,-0.5 -9,-2.3 -9,-0.3 2,-0.4 -0.997 20.7-153.1-140.7 128.4 26.2 -19.3 29.4 24 24 A R E -GH 13 43B 18 19,-2.7 19,-2.7 -2,-0.4 2,-0.6 -0.873 7.9-158.2-106.9 136.6 28.4 -21.6 27.4 25 25 A I E -GH 12 42B 48 -13,-3.1 -13,-1.6 -2,-0.4 17,-0.2 -0.929 6.9-173.7-119.4 107.4 32.0 -20.7 26.7 26 26 A D E - H 0 41B 30 15,-3.2 15,-3.3 -2,-0.6 -15,-0.1 -0.868 20.1-143.3 -99.8 104.5 33.7 -22.3 23.7 27 27 A P E + H 0 40B 54 0, 0.0 13,-0.2 0, 0.0 -18,-0.1 -0.362 24.4 173.0 -67.2 148.5 37.4 -21.4 23.7 28 28 A L E - 0 0 26 11,-2.0 2,-0.3 1,-0.4 12,-0.2 0.658 56.0 -22.0-118.3 -49.3 38.9 -20.8 20.3 29 29 A F E - H 0 39B 19 10,-1.9 10,-2.1 163,-0.0 -1,-0.4 -0.985 48.8-167.0-158.3 163.2 42.5 -19.5 20.8 30 30 A Q E - H 0 38B 129 -2,-0.3 8,-0.2 8,-0.2 7,-0.1 -0.928 30.1 -74.8-156.6 139.6 44.9 -17.7 23.1 31 31 A A - 0 0 14 6,-1.5 5,-0.2 -2,-0.3 -1,-0.1 -0.044 19.0-172.7 61.5-151.0 48.3 -16.0 23.2 32 32 A P > - 0 0 63 0, 0.0 3,-1.5 0, 0.0 5,-0.1 0.819 50.7 -69.4 -89.1 158.9 51.5 -16.9 23.2 33 33 A D T 3 S+ 0 0 128 1,-0.4 3,-0.1 3,-0.1 156,-0.0 -0.149 117.8 31.4 -47.9 142.8 54.0 -14.2 23.8 34 34 A P T 3 S+ 0 0 79 0, 0.0 -1,-0.4 0, 0.0 -3,-0.1 -0.999 115.2 71.1 -83.1 -5.1 54.8 -11.8 22.3 35 35 A A < - 0 0 0 -3,-1.5 155,-0.1 1,-0.1 207,-0.0 -0.291 57.8-170.3 -69.4 157.0 51.3 -11.8 21.0 36 36 A L + 0 0 47 -5,-0.2 76,-2.4 -3,-0.1 2,-0.2 0.438 40.7 115.6-129.2 -6.2 48.5 -10.8 23.4 37 37 A V E - I 0 111B 3 74,-0.2 -6,-1.5 -5,-0.1 2,-0.3 -0.448 35.3-178.2 -83.2 142.5 45.2 -11.6 21.7 38 38 A A E -HI 30 110B 15 72,-2.6 72,-2.1 -8,-0.2 2,-0.3 -0.973 1.8-173.1-134.0 152.3 42.6 -14.1 22.9 39 39 A G E +HI 29 109B 5 -10,-2.1 -11,-2.0 -2,-0.3 -10,-1.9 -0.995 9.5 165.3-147.3 154.7 39.3 -15.3 21.6 40 40 A A E -HI 27 108B 16 68,-1.3 68,-3.2 -2,-0.3 2,-0.5 -0.974 34.8-117.8-157.3 157.9 36.3 -17.5 22.4 41 41 A S E -HI 26 107B 22 -15,-3.3 -15,-3.2 -2,-0.3 2,-0.5 -0.928 31.8-164.1-102.4 128.6 32.7 -18.1 21.2 42 42 A V E -HI 25 106B 14 64,-2.7 64,-1.9 -2,-0.5 2,-0.5 -0.962 4.5-165.2-122.9 123.3 30.2 -17.3 24.0 43 43 A T E -HI 24 105B 2 -19,-2.7 -19,-2.7 -2,-0.5 2,-0.5 -0.913 3.5-161.7-112.9 125.8 26.6 -18.5 23.8 44 44 A F E -HI 23 104B 0 60,-3.1 60,-1.5 -2,-0.5 -21,-0.2 -0.921 14.1-136.6-108.7 125.7 24.0 -16.9 26.1 45 45 A E > - 0 0 30 -23,-2.7 3,-2.3 -2,-0.5 53,-0.4 -0.338 54.7 -67.9 -65.1 160.3 20.7 -18.7 26.8 46 46 A P T 3 S+ 0 0 48 0, 0.0 -24,-0.2 0, 0.0 -1,-0.2 -0.311 126.6 16.3 -52.0 133.2 17.7 -16.3 26.7 47 47 A G T 3 S+ 0 0 22 52,-2.0 2,-0.2 55,-0.3 56,-0.1 0.279 97.9 123.5 87.9 -9.9 17.9 -13.9 29.6 48 48 A A < + 0 0 1 -3,-2.3 50,-2.4 51,-0.3 2,-0.3 -0.605 31.4 160.3 -90.6 145.5 21.5 -14.7 30.4 49 49 A R E -MN 20 97C 10 -29,-2.2 -29,-2.8 -2,-0.2 48,-0.3 -0.997 38.8 -95.2-159.4 158.5 24.2 -11.9 30.5 50 50 A T E -M 19 0C 4 46,-3.0 74,-0.4 -2,-0.3 -31,-0.2 -0.184 42.8-110.0 -63.2 163.7 27.6 -11.0 31.7 51 51 A A - 0 0 0 -33,-1.9 45,-0.3 72,-0.2 72,-0.3 -0.384 55.1 -76.2 -76.2 172.2 28.1 -9.1 34.9 52 52 A W S S+ 0 0 12 70,-3.0 69,-2.3 -2,-0.1 2,-0.3 -0.534 74.3 151.1 -66.4 143.2 29.3 -5.5 34.5 53 53 A H E -OP 94 120C 3 41,-2.2 41,-2.1 67,-0.2 2,-0.3 -0.967 34.3-135.7-163.3 173.6 33.0 -5.6 33.6 54 54 A T E - P 0 119C 14 65,-1.6 65,-2.4 -2,-0.3 39,-0.1 -0.905 11.8-135.2-135.8 165.2 35.8 -3.9 31.8 55 55 A H > - 0 0 7 34,-0.4 36,-2.9 37,-0.3 3,-0.9 -0.991 11.2-142.7-127.3 132.4 38.7 -4.9 29.5 56 56 A P T 3 S+ 0 0 24 0, 0.0 56,-0.1 0, 0.0 -1,-0.1 0.694 102.7 21.9 -70.5 -18.4 42.1 -3.4 30.0 57 57 A L T 3 S- 0 0 11 1,-0.4 54,-0.2 54,-0.4 111,-0.1 0.058 119.5 -97.3-135.4 21.8 42.9 -3.2 26.3 58 58 A G < - 0 0 2 -3,-0.9 53,-0.6 31,-0.3 -1,-0.4 -0.035 33.4-113.2 87.9 169.9 39.3 -3.2 24.9 59 59 A Q E -JK 88 110B 8 29,-2.1 29,-2.4 51,-0.1 2,-0.4 -0.986 12.2-156.4-148.2 137.6 37.1 -5.8 23.4 60 60 A T E -JK 87 109B 2 49,-2.8 49,-2.7 -2,-0.3 2,-0.4 -0.938 10.5-161.2-110.9 132.8 35.6 -6.6 20.0 61 61 A L E -JK 86 108B 0 25,-3.1 25,-2.7 -2,-0.4 2,-0.5 -0.932 7.5-170.1-108.6 134.7 32.4 -8.7 19.5 62 62 A I E -JK 85 107B 11 45,-2.1 45,-3.4 -2,-0.4 2,-0.4 -0.959 22.1-141.4-117.1 111.0 31.4 -10.4 16.3 63 63 A V E + K 0 106B 2 21,-2.0 20,-2.7 -2,-0.5 43,-0.3 -0.572 26.3 172.4 -74.5 127.0 27.9 -11.6 16.7 64 64 A T E + 0 0 67 41,-2.3 2,-0.3 -2,-0.4 42,-0.2 0.689 58.4 12.3-108.9 -26.7 27.5 -15.0 15.0 65 65 A A E S- K 0 105B 43 40,-1.7 40,-2.7 16,-0.1 -1,-0.3 -0.998 100.6 -4.3-154.0 152.3 24.0 -16.2 16.0 66 66 A G E S- K 0 104B 27 -2,-0.3 2,-0.4 38,-0.2 38,-0.3 -0.208 83.6 -63.6 69.0-152.4 20.8 -15.1 17.5 67 67 A C + 0 0 2 36,-2.3 32,-1.8 14,-0.1 35,-0.2 -0.958 51.7 174.8-146.2 119.9 20.0 -11.7 19.0 68 68 A G E -QR 80 98C 0 12,-2.3 12,-3.2 -2,-0.4 2,-0.3 -0.645 23.2-124.8-122.0 175.3 21.6 -10.1 22.0 69 69 A W E +QR 79 97C 23 28,-2.1 28,-2.4 10,-0.2 2,-0.3 -0.820 23.1 177.5-114.8 158.2 21.7 -6.9 24.1 70 70 A A E +QR 78 96C 0 8,-1.7 8,-2.9 -2,-0.3 2,-0.3 -0.957 1.8 178.7-160.2 145.2 24.7 -4.8 25.1 71 71 A Q E - R 0 95C 27 24,-2.3 24,-2.3 -2,-0.3 2,-0.3 -0.975 17.9-153.0-153.2 129.8 25.2 -1.6 27.1 72 72 A R E > - R 0 94C 95 4,-0.4 3,-2.1 -2,-0.3 22,-0.3 -0.728 50.9 -87.9 -90.2 154.2 28.1 0.6 28.2 73 73 A E T 3 S+ 0 0 107 20,-2.4 20,-0.1 -2,-0.3 3,-0.1 -0.429 118.9 24.3 -68.0 138.7 27.4 2.6 31.3 74 74 A G T 3 S+ 0 0 78 1,-0.4 -1,-0.3 -2,-0.1 2,-0.2 0.237 111.4 101.4 89.7 -11.1 25.7 5.9 30.5 75 75 A G S < S- 0 0 17 -3,-2.1 -1,-0.4 1,-0.1 2,-0.2 -0.489 78.2-103.2-103.1 169.5 24.5 4.3 27.3 76 76 A A - 0 0 66 -2,-0.2 2,-0.9 -3,-0.1 -4,-0.4 -0.593 45.1 -97.2 -85.2 153.2 21.2 2.9 26.1 77 77 A V - 0 0 13 -2,-0.2 -6,-0.2 -6,-0.1 2,-0.2 -0.621 47.2-153.4 -71.3 108.3 20.8 -0.9 25.9 78 78 A E E -Q 70 0C 68 -8,-2.9 -8,-1.7 -2,-0.9 2,-0.5 -0.521 9.0-132.7 -84.2 151.2 21.5 -1.7 22.3 79 79 A E E -Q 69 0C 65 -10,-0.2 2,-0.4 -2,-0.2 -10,-0.2 -0.901 26.6-161.5-101.0 124.0 20.1 -4.7 20.4 80 80 A I E -Q 68 0C 0 -12,-3.2 -12,-2.3 -2,-0.5 3,-0.0 -0.889 7.0-169.0-119.7 146.6 22.8 -6.6 18.4 81 81 A H > - 0 0 32 -2,-0.4 3,-2.1 -14,-0.2 -18,-0.3 -0.681 39.4 -66.9-128.4 168.5 22.5 -9.1 15.5 82 82 A P T 3 S+ 0 0 9 0, 0.0 -18,-0.2 0, 0.0 3,-0.1 -0.397 121.1 25.3 -65.6 132.4 24.7 -11.5 13.5 83 83 A G T 3 S+ 0 0 27 -20,-2.7 2,-0.2 1,-0.5 56,-0.2 0.253 90.3 128.2 92.6 -9.3 27.3 -9.7 11.5 84 84 A D < - 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