==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=19-FEB-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER STRUCTURE GENOMICS, UNKNOWN FUNCTION 03-DEC-10 3PU2 . COMPND 2 MOLECULE: UNCHARACTERIZED PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: RHODOBACTER SPHAEROIDES; . AUTHOR S.VOROBIEV,Y.CHEN,J.SEETHARAMAN,S.SAHDEV,R.XIAO,C.CICCOSANTI . 1201 16 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 55413.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 888 73.9 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 . 454 37.8 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 16 1.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 24 2.0 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 . 110 9.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 103 8.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 244 20.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 0.2 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 2 0 5 0 0 8 0 0 0 0 0 0 0 1 5 0 0 2 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 . 19 8 2 6 8 8 8 10 8 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 5 0 0 5 1 1 1 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 16 A E 0 0 164 0, 0.0 2,-0.4 0, 0.0 16,-0.2 0.000 360.0 360.0 360.0-177.2 80.2 16.9 83.2 2 17 A I - 0 0 29 14,-0.1 2,-0.5 133,-0.1 14,-0.2 -0.446 360.0-159.0 -70.6 119.8 78.1 19.2 85.5 3 18 A Q E -A 15 0A 102 12,-2.4 12,-1.3 -2,-0.4 2,-0.3 -0.838 10.9-139.3-103.3 128.2 77.6 18.0 89.1 4 19 A I E -A 14 0A 103 -2,-0.5 10,-0.2 10,-0.2 8,-0.0 -0.631 24.3-145.2 -79.8 137.7 74.8 19.3 91.3 5 20 A G - 0 0 19 8,-2.2 8,-0.3 -2,-0.3 -1,-0.0 -0.455 20.9-108.3 -98.0 175.9 76.1 19.9 94.9 6 21 A P + 0 0 121 0, 0.0 2,-0.2 0, 0.0 5,-0.1 0.944 56.2 157.8 -70.3 -47.7 74.2 19.4 98.2 7 22 A G - 0 0 17 5,-0.1 2,-0.3 3,-0.1 5,-0.2 -0.409 37.1-101.8 66.2-127.4 73.7 23.1 99.0 8 23 A S B > -B 11 0A 41 3,-2.0 3,-0.9 -2,-0.2 5,-0.1 -0.963 44.1 -57.6-175.4-172.1 70.9 23.9 101.4 9 24 A A T 3 S+ 0 0 58 -2,-0.3 117,-0.3 1,-0.3 118,-0.1 0.660 136.4 17.4 -61.7 -18.9 67.3 25.1 101.9 10 25 A T T 3 S+ 0 0 10 116,-0.1 110,-3.3 115,-0.1 2,-0.4 0.130 115.2 81.0-139.3 20.2 68.2 28.4 100.2 11 26 A R E < -BC 8 119A 18 -3,-0.9 -3,-2.0 108,-0.2 2,-0.4 -0.993 51.9-164.6-136.8 133.3 71.5 27.6 98.4 12 27 A L E - C 0 118A 19 106,-2.1 106,-2.2 -2,-0.4 2,-0.3 -0.952 10.7-163.7-117.2 135.5 72.2 25.8 95.1 13 28 A E E + C 0 117A 48 -2,-0.4 -8,-2.2 -8,-0.3 2,-0.3 -0.900 9.9 174.8-121.2 147.3 75.7 24.5 94.2 14 29 A F E -AC 4 116A 12 102,-2.4 102,-2.9 -2,-0.3 2,-0.3 -0.984 7.0-170.0-146.7 151.9 77.2 23.4 90.9 15 30 A R E +AC 3 115A 122 -12,-1.3 -12,-2.4 -2,-0.3 2,-0.3 -0.995 8.8 173.4-144.9 141.1 80.7 22.3 89.7 16 31 A R E - C 0 114A 25 98,-1.6 98,-3.2 -2,-0.3 2,-0.2 -0.985 25.4-128.7-153.7 139.2 82.1 21.8 86.3 17 32 A H E - C 0 113A 76 -2,-0.3 2,-0.4 96,-0.2 96,-0.2 -0.601 23.3-170.8 -87.1 148.1 85.4 21.0 84.7 18 33 A F E - C 0 112A 1 94,-2.7 94,-3.1 -2,-0.2 2,-1.7 -0.998 26.6-128.2-142.0 134.5 86.8 23.1 81.8 19 34 A A S S+ 0 0 73 -2,-0.4 2,-0.3 92,-0.2 92,-0.2 -0.561 76.4 78.7 -84.1 78.0 89.8 22.5 79.7 20 35 A A S S- 0 0 11 -2,-1.7 -2,-0.2 92,-0.0 130,-0.0 -0.954 85.3 -86.6-173.7 156.4 91.6 25.8 80.0 21 36 A T >> - 0 0 68 -2,-0.3 3,-2.8 1,-0.1 4,-2.0 -0.494 43.8-114.8 -72.1 141.2 93.8 27.9 82.4 22 37 A P H 3> S+ 0 0 18 0, 0.0 4,-2.5 0, 0.0 5,-0.2 0.759 116.6 63.8 -46.9 -26.2 91.8 29.8 85.0 23 38 A E H 3> S+ 0 0 114 2,-0.2 4,-0.9 1,-0.2 -2,-0.0 0.817 107.6 40.9 -68.7 -31.0 93.1 33.0 83.3 24 39 A Q H <> S+ 0 0 92 -3,-2.8 4,-1.4 2,-0.2 -1,-0.2 0.840 113.8 52.1 -84.5 -37.2 91.3 32.1 80.1 25 40 A L H X S+ 0 0 0 -4,-2.0 4,-2.6 1,-0.2 -2,-0.2 0.899 107.8 52.0 -66.5 -39.5 88.2 30.9 81.9 26 41 A W H X S+ 0 0 29 -4,-2.5 4,-1.5 -5,-0.2 -1,-0.2 0.874 107.6 52.6 -63.8 -36.6 88.0 34.1 83.9 27 42 A A H X S+ 0 0 27 -4,-0.9 4,-1.1 1,-0.2 7,-0.3 0.824 112.1 46.8 -67.9 -29.7 88.2 36.1 80.6 28 43 A A H < S+ 0 0 1 -4,-1.4 -2,-0.2 2,-0.2 -1,-0.2 0.880 114.5 45.7 -76.8 -41.8 85.3 33.9 79.3 29 44 A L H < S+ 0 0 15 -4,-2.6 -2,-0.2 1,-0.2 -1,-0.2 0.644 125.8 28.4 -77.1 -17.1 83.2 34.4 82.5 30 45 A T H < S+ 0 0 11 -4,-1.5 -2,-0.2 -5,-0.2 -1,-0.2 0.431 90.9 101.4-127.2 -0.2 83.7 38.1 82.8 31 46 A S >X - 0 0 18 -4,-1.1 4,-2.4 -5,-0.2 3,-0.6 -0.747 56.7-149.0 -93.9 132.4 84.3 39.7 79.4 32 47 A P T 34 S+ 0 0 55 0, 0.0 -1,-0.1 0, 0.0 576,-0.1 0.705 100.0 52.8 -67.6 -19.0 81.4 41.5 77.6 33 48 A A T 34 S+ 0 0 18 574,-0.1 4,-0.1 2,-0.1 575,-0.1 0.675 117.2 35.2 -89.8 -18.5 82.9 40.4 74.2 34 49 A L T X4 S+ 0 0 5 -3,-0.6 3,-0.9 -7,-0.3 5,-0.2 0.731 100.9 72.1-104.9 -31.1 83.0 36.7 75.0 35 50 A L G >X S+ 0 0 3 -4,-2.4 4,-2.2 1,-0.2 3,-1.3 0.846 93.6 56.3 -55.8 -39.3 80.0 36.1 77.2 36 51 A P G 34 S+ 0 0 34 0, 0.0 10,-0.5 0, 0.0 -1,-0.2 0.802 96.3 66.8 -64.2 -28.1 77.5 36.5 74.3 37 52 A A G <4 S+ 0 0 11 -3,-0.9 -2,-0.2 -4,-0.1 462,-0.1 0.401 124.4 2.9 -75.4 2.2 79.3 33.7 72.4 38 53 A W T <4 S+ 0 0 3 -3,-1.3 2,-1.9 -4,-0.2 106,-0.2 0.450 106.3 83.6-152.2 -40.0 78.2 31.0 74.9 39 54 A L S < S+ 0 0 34 -4,-2.2 2,-0.3 -5,-0.2 102,-0.1 -0.495 73.3 92.8 -80.9 76.6 76.0 32.2 77.8 40 55 A F - 0 0 60 -2,-1.9 2,-0.2 97,-0.1 104,-0.1 -0.971 65.4-123.2-157.4 158.5 72.6 32.0 76.0 41 56 A A B > -G 44 0B 15 3,-0.9 3,-2.2 -2,-0.3 2,-0.3 -0.595 52.4 -63.2-104.1 171.7 69.8 29.5 75.7 42 57 A R T 3 S- 0 0 136 1,-0.3 -1,-0.1 -2,-0.2 467,-0.0 -0.341 122.8 -0.1 -57.3 113.9 68.2 28.1 72.5 43 58 A G T 3 S+ 0 0 30 -2,-0.3 -1,-0.3 466,-0.2 466,-0.1 0.598 113.1 92.9 82.0 11.9 66.6 30.9 70.5 44 59 A W B < -G 41 0B 8 -3,-2.2 -3,-0.9 21,-0.2 21,-0.2 -0.601 56.5-174.6-136.7 72.7 67.6 33.6 73.0 45 60 A P - 0 0 20 0, 0.0 19,-1.8 0, 0.0 2,-0.7 -0.223 36.2-101.1 -63.7 157.6 70.9 35.1 71.9 46 61 A X E +H 63 0C 15 -10,-0.5 17,-0.2 17,-0.2 3,-0.1 -0.756 42.8 172.6 -86.1 118.2 72.5 37.7 74.2 47 62 A T E + 0 0 63 15,-2.7 2,-0.4 -2,-0.7 16,-0.2 0.674 65.3 33.0 -99.8 -21.4 71.9 41.2 72.8 48 63 A E E +H 62 0C 90 14,-1.5 14,-2.0 2,-0.0 2,-0.3 -0.994 62.2 174.1-137.7 131.6 73.2 43.4 75.5 49 64 A C E +H 61 0C 23 -2,-0.4 2,-0.5 12,-0.2 12,-0.2 -0.786 7.4 167.2-147.3 103.9 76.1 42.7 77.8 50 65 A V E +H 60 0C 46 10,-3.0 10,-2.6 -2,-0.3 2,-0.4 -0.953 13.4 161.7-111.8 123.1 77.6 45.0 80.4 51 66 A F E +H 59 0C 17 -2,-0.5 8,-0.2 8,-0.2 -21,-0.0 -0.972 15.2 179.9-146.3 126.4 80.0 43.4 82.8 52 67 A E - 0 0 72 6,-1.0 2,-1.5 -2,-0.4 25,-0.2 -0.927 15.0-157.5-129.6 101.4 82.6 45.2 84.9 53 68 A P + 0 0 40 0, 0.0 2,-0.3 0, 0.0 6,-0.0 -0.355 60.7 88.6 -82.0 57.6 84.5 42.6 87.1 54 69 A H S > S- 0 0 109 -2,-1.5 3,-2.5 27,-0.1 23,-0.2 -0.977 93.5 -68.0-147.7 147.1 85.8 45.0 89.9 55 70 A K T 3 S+ 0 0 138 -2,-0.3 23,-0.2 1,-0.3 24,-0.1 0.006 122.9 17.0 -39.5 135.4 84.1 46.0 93.1 56 71 A G T 3 S+ 0 0 43 21,-2.2 -1,-0.3 1,-0.2 22,-0.1 0.353 93.9 154.2 80.4 -5.4 81.0 48.2 92.6 57 72 A G < - 0 0 0 -3,-2.5 20,-2.4 20,-0.2 2,-0.3 -0.089 41.9-120.7 -56.7 152.4 80.9 47.0 89.0 58 73 A L E - I 0 76C 58 18,-0.2 -6,-1.0 -3,-0.1 2,-0.4 -0.725 19.7-164.8 -97.1 144.6 77.6 47.0 87.0 59 74 A I E +HI 51 75C 0 16,-1.9 16,-1.7 -2,-0.3 2,-0.4 -0.995 15.1 165.9-129.5 121.5 76.2 43.9 85.4 60 75 A R E +HI 50 74C 76 -10,-2.6 -10,-3.0 -2,-0.4 2,-0.4 -0.966 5.9 174.9-140.9 119.8 73.5 44.2 82.8 61 76 A Q E -HI 49 73C 6 12,-2.4 12,-2.1 -2,-0.4 2,-0.4 -0.987 6.0-177.2-131.0 137.8 72.3 41.4 80.5 62 77 A V E -HI 48 72C 12 -14,-2.0 -15,-2.7 -2,-0.4 -14,-1.5 -0.983 5.8-167.2-138.0 127.8 69.6 41.1 78.0 63 78 A W E -HI 46 71C 19 8,-3.1 8,-1.6 -2,-0.4 2,-0.5 -0.897 9.0-154.5-111.6 139.6 68.5 38.2 75.8 64 79 A T E - I 0 70C 35 -19,-1.8 6,-0.2 -2,-0.4 5,-0.1 -0.965 12.5-164.6-116.1 124.2 66.1 38.6 72.9 65 80 A G > - 0 0 3 4,-2.4 3,-1.4 -2,-0.5 -21,-0.2 -0.191 39.8 -63.2 -94.5-172.0 64.0 35.7 71.9 66 81 A P G > S+ 0 0 19 0, 0.0 3,-0.5 0, 0.0 -1,-0.2 -0.400 123.2 31.1 -69.6 155.7 62.0 35.0 68.7 67 82 A E G 3 S- 0 0 75 1,-0.2 462,-0.2 460,-0.1 464,-0.0 0.333 124.1 -87.0 79.2 -8.7 59.2 37.5 68.2 68 83 A G G < S+ 0 0 30 -3,-1.4 -1,-0.2 1,-0.3 461,-0.0 0.114 79.6 140.5 99.3 -24.1 61.1 40.2 69.9 69 84 A R < - 0 0 125 -3,-0.5 -4,-2.4 -5,-0.1 -1,-0.3 -0.178 37.9-145.8 -55.8 147.9 60.3 39.8 73.7 70 85 A T E -I 64 0C 87 -6,-0.2 2,-0.3 -8,-0.0 -6,-0.2 -0.697 16.8-166.5-114.8 169.1 63.3 40.3 76.0 71 86 A R E +I 63 0C 89 -8,-1.6 -8,-3.1 -2,-0.2 2,-0.3 -0.947 23.1 164.7-153.0 126.5 64.5 39.0 79.3 72 87 A G E -I 62 0C 7 -2,-0.3 2,-0.3 -10,-0.2 -10,-0.2 -0.911 22.5-153.1-145.3 174.6 67.1 40.6 81.4 73 88 A L E -I 61 0C 0 -12,-2.1 -12,-2.4 -2,-0.3 2,-0.3 -0.985 3.3-159.4-148.0 154.9 69.0 40.9 84.7 74 89 A T E +IJ 60 91C 61 17,-1.8 17,-1.6 -2,-0.3 2,-0.3 -0.906 21.5 154.1-130.1 157.4 70.9 43.5 86.6 75 90 A G E -I 59 0C 9 -16,-1.7 -16,-1.9 -2,-0.3 2,-0.4 -0.964 32.9-120.3-170.2 175.4 73.4 43.0 89.4 76 91 A R E -I 58 0C 123 -2,-0.3 13,-2.0 -18,-0.2 2,-0.5 -0.987 25.0-119.5-132.3 139.1 76.4 44.5 91.1 77 92 A V E -D 88 0A 1 -20,-2.4 -21,-2.2 -2,-0.4 11,-0.3 -0.708 26.4-174.6 -77.6 124.2 79.8 43.0 91.5 78 93 A I E - 0 0 20 9,-3.2 2,-0.3 -2,-0.5 10,-0.2 0.810 67.1 -11.8 -87.1 -37.1 80.5 42.8 95.3 79 94 A L E -D 87 0A 14 8,-1.5 8,-2.3 -24,-0.1 -1,-0.4 -0.961 57.8-161.9-163.2 150.2 84.1 41.6 95.1 80 95 A A E +D 86 0A 27 -2,-0.3 6,-0.2 6,-0.2 -25,-0.2 -0.895 11.7 173.6-147.2 114.0 86.5 40.4 92.5 81 96 A E E >> -D 85 0A 62 4,-2.4 4,-1.3 -2,-0.3 3,-1.2 -0.701 45.8-112.1-114.5 75.3 89.8 38.5 93.0 82 97 A P T 34 S+ 0 0 79 0, 0.0 -59,-0.1 0, 0.0 -2,-0.1 -0.304 86.8 1.9 -56.4 133.2 91.0 37.6 89.4 83 98 A P T 34 S+ 0 0 24 0, 0.0 3,-0.1 0, 0.0 -2,-0.0 -0.992 128.8 42.2-106.5 11.1 91.1 34.9 88.7 84 99 A H T <4 S+ 0 0 100 -3,-1.2 21,-2.3 1,-0.1 2,-0.3 0.617 107.4 31.1 -92.7 -16.2 89.7 32.7 91.5 85 100 A R E < +DE 81 104A 5 -4,-1.3 -4,-2.4 19,-0.2 2,-0.3 -0.994 46.9 165.0-151.0 142.7 86.7 34.5 92.9 86 101 A L E -DE 80 103A 1 17,-1.6 17,-2.6 -2,-0.3 2,-0.4 -0.970 10.0-171.7-152.6 137.3 83.9 36.8 91.9 87 102 A I E +DE 79 102A 2 -8,-2.3 -9,-3.2 -2,-0.3 -8,-1.5 -0.999 15.3 155.5-134.9 131.2 80.7 37.6 93.7 88 103 A H E -DE 77 101A 9 13,-1.7 13,-2.7 -2,-0.4 -11,-0.2 -0.968 37.0-116.0-148.9 163.8 77.8 39.6 92.4 89 104 A S E - 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F 0 113A 72 7,-1.7 7,-1.7 -2,-0.6 2,-0.1 -0.957 35.4-114.7-117.6 130.1 90.5 26.4 91.4 107 124 A P E + F 0 112A 99 0, 0.0 2,-0.3 0, 0.0 5,-0.2 -0.400 39.0 177.4 -63.4 131.4 93.1 24.7 89.1 108 125 A V E > - F 0 111A 60 3,-1.8 3,-1.5 -2,-0.1 2,-0.3 -0.846 44.0 -78.6-128.2 162.9 92.5 21.0 88.8 109 126 A E T 3 S+ 0 0 184 -2,-0.3 3,-0.1 1,-0.2 0, 0.0 -0.512 120.8 29.7 -67.3 126.7 94.4 18.4 86.8 110 127 A G T 3 S- 0 0 59 -2,-0.3 -1,-0.2 1,-0.2 2,-0.2 -0.132 133.2 -54.5 116.8 -35.4 93.2 18.7 83.2 111 128 A G E < S- F 0 108A 17 -3,-1.5 -3,-1.8 -92,-0.2 2,-0.3 -0.769 90.4 -25.2 168.9-117.8 92.3 22.4 83.3 112 129 A T E -CF 18 107A 0 -94,-3.1 -94,-2.7 -5,-0.2 2,-0.5 -0.894 40.9-142.7-130.2 152.3 90.0 24.4 85.7 113 130 A E E -CF 17 106A 37 -7,-1.7 -7,-1.7 -2,-0.3 2,-0.6 -0.981 14.0-150.3-118.5 127.7 87.1 23.6 87.9 114 131 A L E -CF 16 105A 2 -98,-3.2 -98,-1.6 -2,-0.5 2,-0.5 -0.879 9.7-168.3-101.3 116.8 84.3 26.1 88.2 115 132 A A E -CF 15 104A 26 -11,-2.9 -11,-3.2 -2,-0.6 2,-0.4 -0.920 11.0-176.7-104.2 124.3 82.4 26.0 91.5 116 133 A X E -CF 14 103A 26 -102,-2.9 -102,-2.4 -2,-0.5 2,-0.3 -0.973 8.1-178.9-126.9 139.2 79.3 28.1 91.5 117 134 A A E -CF 13 102A 7 -15,-2.0 -15,-3.3 -2,-0.4 2,-0.5 -0.993 9.5-162.8-136.9 142.7 76.8 28.8 94.3 118 135 A V E -CF 12 101A 5 -106,-2.2 -106,-2.1 -2,-0.3 2,-0.5 -0.982 7.4-157.2-128.9 117.6 73.6 30.9 94.3 119 136 A D E -CF 11 100A 1 -19,-2.8 -19,-2.1 -2,-0.5 -108,-0.2 -0.857 17.1-153.9 -96.3 128.4 72.1 32.0 97.6 120 137 A Y - 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