==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=22-MAR-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER STRUCTURAL GENOMICS, UNKNOWN FUNCTION 07-FEB-13 2M4L . COMPND 2 MOLECULE: HYPOTHETICAL PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: BACTEROIDES THETAIOTAOMICRON; . AUTHOR S.K.DUTTA,P.SERRANO,M.GERALT,K.WUTHRICH,JOINT CENTER FOR STR . 99 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 6342.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 56 56.6 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 . 43 43.4 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 . 1 1.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 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 . 8 8.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 2 2.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 1 1.0 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 1 2 0 1 0 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 0 0 0 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 1 A G 0 0 98 0, 0.0 2,-1.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0-109.2 -12.5 -9.3 13.3 2 2 A E - 0 0 167 2,-0.0 2,-0.8 0, 0.0 0, 0.0 -0.859 360.0-174.5 -85.8 100.2 -10.2 -7.2 11.2 3 3 A D - 0 0 133 -2,-1.0 2,-0.2 77,-0.0 0, 0.0 -0.900 7.6-178.9-104.7 95.9 -9.0 -10.0 9.0 4 4 A W - 0 0 86 -2,-0.8 76,-0.2 1,-0.1 2,-0.2 -0.595 20.2-121.7 -93.3 160.4 -6.3 -8.5 6.8 5 5 A T B -A 79 0A 71 74,-2.2 74,-0.7 -2,-0.2 2,-0.5 -0.576 39.3 -80.3 -91.2 167.7 -4.3 -10.2 4.0 6 6 A E - 0 0 165 -2,-0.2 2,-0.3 72,-0.1 5,-0.2 -0.556 44.9-126.1 -58.8 116.9 -0.5 -10.6 3.7 7 7 A L + 0 0 11 -2,-0.5 2,-0.3 51,-0.3 51,-0.1 -0.532 47.4 166.1 -54.2 125.6 0.9 -7.3 2.3 8 8 A N > - 0 0 63 -2,-0.3 4,-1.3 50,-0.1 3,-0.1 -0.925 52.8 -89.5-145.4 172.5 2.9 -8.5 -0.7 9 9 A S T 4 S+ 0 0 55 -2,-0.3 -2,-0.1 46,-0.2 47,-0.0 0.374 119.7 42.2 -62.5 -1.1 4.6 -7.2 -3.9 10 10 A N T 4 S+ 0 0 106 2,-0.1 3,-0.4 3,-0.0 -1,-0.2 0.716 106.3 51.9-122.9 -37.0 1.4 -7.5 -5.9 11 11 A N T 4 S+ 0 0 31 1,-0.2 -2,-0.1 -5,-0.2 69,-0.1 0.846 104.8 58.0 -73.9 -30.7 -1.7 -6.3 -3.9 12 12 A I S < S+ 0 0 2 -4,-1.3 -1,-0.2 67,-0.1 17,-0.1 0.756 80.2 117.9 -66.6 -22.9 -0.0 -2.9 -3.0 13 13 A I + 0 0 39 -3,-0.4 2,-0.2 15,-0.1 17,-0.2 -0.229 55.6 38.6 -65.4 126.2 0.4 -2.0 -6.7 14 14 A G E S-B 29 0A 9 15,-2.4 15,-1.1 83,-0.1 2,-0.2 -0.770 93.3 -49.5 131.3-172.7 -1.5 1.1 -7.9 15 15 A Y E -B 28 0A 102 -2,-0.2 83,-2.2 13,-0.2 2,-0.3 -0.515 43.2-156.6 -91.1 162.8 -2.3 4.6 -6.6 16 16 A W E +BC 27 97A 0 11,-2.2 11,-1.6 81,-0.3 2,-0.3 -0.956 13.5 177.1-148.8 122.4 -3.9 5.5 -3.2 17 17 A S E -BC 26 96A 7 79,-2.1 79,-2.5 -2,-0.3 9,-0.1 -0.805 27.8-160.7-127.4 160.7 -5.9 8.6 -2.1 18 18 A T - 0 0 88 7,-0.7 2,-0.3 1,-0.5 -1,-0.2 0.836 68.8 -63.4 -93.6 -66.2 -7.8 10.1 0.9 19 19 A G - 0 0 32 6,-0.2 -1,-0.5 2,-0.1 6,-0.2 -0.879 47.6 -93.6 177.1-179.4 -10.0 12.7 -0.8 20 20 A I S S+ 0 0 141 -2,-0.3 2,-0.1 -3,-0.1 4,-0.1 0.124 83.2 79.2-111.6 16.3 -9.5 15.9 -2.8 21 21 A E S S- 0 0 152 2,-0.1 3,-0.2 22,-0.1 21,-0.1 -0.397 82.1 -4.2-115.8-178.8 -9.7 18.8 -0.3 22 22 A G S S- 0 0 39 1,-0.2 20,-2.1 19,-0.2 2,-0.3 0.057 126.5 -12.5 46.3 -93.5 -7.9 20.8 2.5 23 23 A T S S+ 0 0 105 18,-0.3 -1,-0.2 19,-0.1 18,-0.2 -0.783 84.0 173.1-140.8 92.9 -4.6 19.1 2.8 24 24 A H - 0 0 22 -2,-0.3 16,-2.8 -3,-0.2 2,-0.3 -0.559 19.4-146.2-100.2 168.4 -4.6 15.7 1.0 25 25 A K E - D 0 39A 66 14,-0.2 -7,-0.7 -2,-0.2 2,-0.3 -0.961 9.0-161.3-134.9 145.3 -1.9 13.2 0.3 26 26 A L E -BD 17 38A 36 12,-2.3 12,-2.9 -2,-0.3 2,-0.3 -0.971 7.2-173.5-133.6 146.1 -1.4 10.9 -2.7 27 27 A L E -BD 16 37A 3 -11,-1.6 -11,-2.2 -2,-0.3 2,-0.3 -0.944 7.0-174.2-134.7 158.8 0.6 7.7 -3.2 28 28 A S E -BD 15 36A 3 8,-2.0 8,-2.1 -2,-0.3 2,-0.3 -0.962 2.8-172.4-144.1 155.5 1.7 5.2 -6.0 29 29 A F E -BD 14 35A 1 -15,-1.1 -15,-2.4 -2,-0.3 6,-0.3 -0.951 9.2-160.6-144.7 126.9 3.6 1.9 -6.0 30 30 A D - 0 0 76 4,-2.2 -18,-0.0 -2,-0.3 -2,-0.0 -0.707 19.8-132.5-101.6 159.5 4.6 0.1 -9.3 31 31 A E S S+ 0 0 106 -2,-0.3 -1,-0.1 1,-0.2 4,-0.0 0.886 102.9 18.3 -81.0 -38.0 5.6 -3.5 -9.5 32 32 A D S S+ 0 0 160 2,-0.1 -1,-0.2 0, 0.0 2,-0.1 0.036 130.4 39.1-129.2 21.9 8.8 -3.2 -11.5 33 33 A G S S- 0 0 39 1,-0.2 20,-0.3 20,-0.0 2,-0.2 0.085 95.6 -68.1-129.7-112.9 9.6 0.5 -10.9 34 34 A T - 0 0 38 18,-0.1 -4,-2.2 -2,-0.1 18,-0.2 -0.711 34.6-104.0-141.4 175.8 9.2 2.7 -7.8 35 35 A G E -DE 29 51A 0 16,-3.1 16,-1.1 -6,-0.3 2,-0.3 -0.656 26.4-156.2 -98.7 170.0 6.7 4.3 -5.5 36 36 A S E -DE 28 50A 22 -8,-2.1 -8,-2.0 -2,-0.2 2,-0.4 -0.970 3.9-164.8-144.8 144.1 5.8 8.0 -5.4 37 37 A F E -DE 27 49A 2 12,-2.5 12,-1.4 -2,-0.3 2,-0.3 -0.996 10.2-179.6-130.9 126.1 4.4 10.2 -2.6 38 38 A G E -DE 26 48A 8 -12,-2.9 -12,-2.3 -2,-0.4 2,-0.4 -0.885 13.0-157.4-122.7 159.1 2.8 13.6 -3.0 39 39 A I E -DE 25 47A 47 8,-0.7 7,-2.8 -2,-0.3 8,-2.1 -0.996 16.6-176.1-137.0 136.0 1.2 16.2 -0.6 40 40 A Y E - E 0 45A 73 -16,-2.8 2,-0.4 -2,-0.4 -19,-0.0 -0.745 22.1-140.4-123.4 167.2 -1.3 18.8 -1.7 41 41 A S E > S- E 0 44A 52 3,-2.5 2,-1.5 -2,-0.2 3,-1.3 -0.964 70.1 -54.4-133.3 127.6 -3.2 21.8 -0.3 42 42 A N T 3 S- 0 0 107 -20,-2.1 -19,-0.1 -2,-0.4 -2,-0.0 -0.284 128.7 -13.3 45.0 -73.1 -6.8 22.2 -1.4 43 43 A A T 3 S+ 0 0 84 -2,-1.5 -1,-0.3 -21,-0.1 -22,-0.1 -0.224 119.5 84.1-144.2 43.7 -6.1 22.3 -5.1 44 44 A T E < S-E 41 0A 78 -3,-1.3 -3,-2.5 0, 0.0 2,-0.4 -0.975 71.7-123.5-144.5 135.6 -2.3 22.7 -5.5 45 45 A P E +E 40 0A 85 0, 0.0 -5,-0.3 0, 0.0 3,-0.1 -0.693 32.9 168.8 -74.5 129.3 0.7 20.1 -5.3 46 46 A I E + 0 0 120 -7,-2.8 2,-0.3 -2,-0.4 -6,-0.2 0.606 59.2 26.3-122.3 -22.5 3.1 21.2 -2.6 47 47 A S E +E 39 0A 48 -8,-2.1 -8,-0.7 2,-0.0 2,-0.3 -0.890 53.6 178.3-130.5 170.2 5.5 18.2 -2.2 48 48 A F E +E 38 0A 114 -2,-0.3 2,-0.3 -10,-0.2 -10,-0.2 -0.870 10.1 157.9-159.6 144.3 6.8 15.3 -4.3 49 49 A Q E -E 37 0A 38 -12,-1.4 -12,-2.5 -2,-0.3 2,-0.3 -0.930 18.3-156.1-152.1 162.6 9.2 12.5 -3.6 50 50 A M E +EF 36 66A 59 16,-0.8 16,-1.6 -2,-0.3 2,-0.3 -0.892 12.1 177.9-130.0 162.8 9.9 9.0 -5.0 51 51 A F E -EF 35 65A 3 -16,-1.1 -16,-3.1 -2,-0.3 14,-0.2 -0.944 28.2-122.6-157.2 145.8 11.5 5.9 -3.5 52 52 A D E - F 0 64A 51 12,-1.0 11,-0.6 -2,-0.3 12,-0.5 -0.484 38.2-175.7 -68.6 159.7 12.3 2.3 -4.4 53 53 A Y E - F 0 62A 21 -20,-0.3 2,-0.3 -2,-0.2 9,-0.2 -0.981 17.2-160.6-148.7 166.9 10.8 -0.3 -2.1 54 54 A K E - F 0 61A 105 7,-1.5 7,-2.6 -2,-0.3 2,-0.5 -0.912 20.3-135.1-134.5 167.1 10.7 -4.0 -1.4 55 55 A I + 0 0 22 -2,-0.3 -46,-0.2 5,-0.2 5,-0.2 -0.856 50.4 138.0-121.9 86.8 8.3 -6.3 0.5 56 56 A E S S+ 0 0 152 3,-0.5 -1,-0.1 -2,-0.5 4,-0.1 0.054 77.2 27.7-123.7 23.5 10.7 -8.5 2.5 57 57 A E S S- 0 0 100 2,-0.5 3,-0.1 -50,-0.1 -1,-0.1 0.219 116.7 -88.8-165.7 14.0 8.9 -8.6 5.8 58 58 A G S S+ 0 0 40 1,-0.3 19,-0.4 -51,-0.1 2,-0.3 0.799 110.4 87.5 60.4 27.6 5.2 -8.1 5.1 59 59 A R S S- 0 0 83 17,-0.1 -2,-0.5 -52,-0.1 -3,-0.5 -0.929 93.8 -93.5-139.4 161.3 6.1 -4.4 5.4 60 60 A I E - G 0 75A 3 15,-1.4 15,-2.0 -2,-0.3 2,-0.5 -0.682 35.5-151.1 -71.1 133.3 7.3 -1.8 3.0 61 61 A Y E -FG 54 74A 67 -7,-2.6 -7,-1.5 -2,-0.4 2,-0.4 -0.978 12.3-166.8-101.6 120.3 11.2 -1.7 3.1 62 62 A I E +FG 53 73A 0 11,-2.9 11,-1.6 -2,-0.5 -9,-0.1 -0.901 29.1 141.7-105.3 137.5 12.3 1.9 2.2 63 63 A Y E + 0 0 80 -11,-0.6 2,-0.3 -2,-0.4 -1,-0.1 0.304 62.3 49.4-160.6 1.3 16.1 2.3 1.4 64 64 A D E +F 52 0A 74 -12,-0.5 -12,-1.0 7,-0.1 -1,-0.4 -0.905 60.6 161.5-148.4 117.6 16.4 4.8 -1.5 65 65 A V E -F 51 0A 6 -2,-0.3 -14,-0.2 -14,-0.2 4,-0.0 -0.922 26.9-111.5-128.5 155.5 14.5 8.1 -1.3 66 66 A Y E S+F 50 0A 110 -16,-1.6 -16,-0.8 -2,-0.3 2,-0.1 -0.954 73.2 1.1-144.6 162.3 15.1 11.4 -3.3 67 67 A P S S+ 0 0 95 0, 0.0 2,-1.0 0, 0.0 -18,-0.1 -0.959 138.7 29.8 -75.7 -21.7 16.0 14.2 -3.5 68 68 A D S S- 0 0 133 -2,-0.1 -2,-0.2 0, 0.0 2,-0.1 -0.848 89.4-151.0 -96.3 93.6 16.8 14.1 0.2 69 69 A E - 0 0 152 -2,-1.0 2,-0.2 -4,-0.0 -3,-0.1 -0.448 16.1-163.7 -63.2 140.8 17.7 10.5 0.6 70 70 A K - 0 0 147 -2,-0.1 -5,-0.2 1,-0.1 3,-0.1 -0.754 28.5 -70.7-127.4 168.1 17.0 9.1 4.2 71 71 A T - 0 0 103 -2,-0.2 2,-0.3 1,-0.1 -1,-0.1 -0.202 56.1-102.8 -55.6 148.0 17.9 6.1 6.3 72 72 A P + 0 0 68 0, 0.0 2,-0.3 0, 0.0 -9,-0.2 -0.563 55.1 154.1 -69.3 139.8 16.5 2.7 5.3 73 73 A Y E -G 62 0A 73 -11,-1.6 -11,-2.9 -2,-0.3 2,-0.3 -0.919 38.1-112.9-152.4 174.1 13.6 1.6 7.5 74 74 A Y E -G 61 0A 91 -2,-0.3 2,-0.4 -13,-0.2 -13,-0.2 -0.816 20.9-142.8-112.7 159.0 10.4 -0.7 7.4 75 75 A L E -G 60 0A 4 -15,-2.0 -15,-1.4 -2,-0.3 2,-0.3 -0.971 11.0-136.2-130.3 112.2 6.8 0.4 7.6 76 76 A D + 0 0 66 -2,-0.4 11,-2.5 -17,-0.2 12,-1.1 -0.516 45.3 146.7 -62.5 122.1 4.0 -1.5 9.5 77 77 A C E - H 0 86A 11 -19,-0.4 2,-0.3 -2,-0.3 9,-0.3 -0.982 35.0-145.0-154.7 163.7 0.9 -1.6 7.3 78 78 A K E - H 0 85A 59 7,-2.7 7,-2.7 -2,-0.3 2,-0.3 -0.911 14.7-179.6-126.7 158.4 -2.0 -3.8 6.3 79 79 A I E +AH 5 84A 0 -74,-0.7 -74,-2.2 -2,-0.3 5,-0.2 -0.978 18.8 169.1-151.5 154.2 -3.9 -4.3 3.1 80 80 A S S S- 0 0 59 3,-0.5 4,-0.1 -2,-0.3 -1,-0.1 0.426 73.0 -65.3-141.4 -9.3 -6.9 -6.4 1.8 81 81 A G S S+ 0 0 31 2,-0.3 3,-0.0 -76,-0.1 0, 0.0 -0.457 120.4 14.7 160.8 -73.5 -7.8 -5.1 -1.7 82 82 A T S S+ 0 0 92 1,-0.1 15,-1.9 14,-0.1 2,-0.5 0.427 109.6 74.0-117.5 1.6 -9.0 -1.5 -1.8 83 83 A T E - I 0 96A 42 13,-0.2 -3,-0.5 -67,-0.0 2,-0.5 -0.951 59.5-161.3-119.7 106.8 -8.1 -0.1 1.7 84 84 A L E -HI 79 95A 2 11,-2.8 11,-1.9 -2,-0.5 2,-0.5 -0.791 6.7-170.5 -75.1 128.3 -4.4 0.7 2.5 85 85 A K E -H 78 0A 81 -7,-2.7 -7,-2.7 -2,-0.5 2,-0.4 -0.842 3.9-177.0-117.2 95.1 -3.9 0.9 6.3 86 86 A V E -H 77 0A 4 -2,-0.5 7,-1.4 5,-0.4 -9,-0.3 -0.778 7.6-170.4 -86.1 132.5 -0.4 2.2 7.0 87 87 A E + 0 0 89 -11,-2.5 2,-0.3 -2,-0.4 -10,-0.2 0.780 66.4 18.9 -91.4 -31.7 0.3 2.3 10.8 88 88 A T S S+ 0 0 62 -12,-1.1 3,-0.3 3,-0.0 2,-0.1 -0.874 90.5 49.2-139.7 163.7 3.6 4.3 10.8 89 89 A G S > S- 0 0 37 -2,-0.3 3,-1.1 1,-0.2 -14,-0.0 -0.389 98.7 -53.1 99.6-179.9 5.6 6.7 8.6 90 90 A S T 3 S+ 0 0 65 1,-0.2 -1,-0.2 -2,-0.1 0, 0.0 0.778 137.0 50.5 -58.1 -31.0 4.7 9.8 6.6 91 91 A E T 3 S+ 0 0 1 -3,-0.3 -5,-0.4 2,-0.1 2,-0.3 0.216 78.5 140.9-103.7 12.0 1.9 8.0 4.9 92 92 A A < + 0 0 45 -3,-1.1 2,-0.2 1,-0.1 -5,-0.2 -0.421 44.3 56.7 -61.0 117.1 0.3 6.7 8.2 93 93 A G S S- 0 0 38 -7,-1.4 2,-0.3 -2,-0.3 -1,-0.1 -0.814 93.6 -52.5 168.1-123.4 -3.5 6.8 8.0 94 94 A T + 0 0 90 -2,-0.2 2,-0.3 -9,-0.2 -9,-0.2 -0.969 45.7 176.7-145.0 142.4 -6.0 5.2 5.6 95 95 A Y E - I 0 84A 14 -11,-1.9 -11,-2.8 -2,-0.3 2,-0.3 -0.992 22.8-133.4-142.9 152.2 -6.3 5.4 1.8 96 96 A K E -CI 17 83A 123 -79,-2.5 -79,-2.1 -2,-0.3 -13,-0.2 -0.745 38.1-101.2 -91.4 147.9 -8.5 3.9 -0.9 97 97 A K E -C 16 0A 55 -15,-1.9 -81,-0.3 -2,-0.3 -1,-0.1 -0.343 28.5-154.5 -58.5 147.5 -7.0 2.3 -4.1 98 98 A Q 0 0 103 -83,-2.2 -83,-0.2 -2,-0.0 -82,-0.1 -0.458 360.0 360.0-134.6 52.7 -7.2 4.6 -7.2 99 99 A K 0 0 201 -85,-0.1 -2,-0.0 -84,-0.1 -85,-0.0 -0.858 360.0 360.0-144.7 360.0 -7.1 2.3 -10.1