==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=21-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 10-MAR-09 3GKE . COMPND 2 MOLECULE: DDMC; . SOURCE 2 ORGANISM_SCIENTIFIC: STENOTROPHOMONAS MALTOPHILIA; . AUTHOR M.A.WILSON,R.DUMITRU,W.Z.JIANG,D.P.WEEKS . 988 6 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 41097.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 694 70.2 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 . 281 28.4 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 6 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 12 1.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 15 1.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 2 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 3 0.3 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 . 91 9.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 126 12.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 164 16.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 15 1.5 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 4 1 4 1 0 3 0 2 1 0 2 0 0 1 2 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 . 4 6 8 8 7 1 0 3 3 6 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 3 6 0 0 0 2 1 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 2 A A 0 0 73 0, 0.0 2,-0.6 0, 0.0 256,-0.0 0.000 360.0 360.0 360.0 134.6 17.6 21.1 -2.1 2 3 A T + 0 0 90 255,-0.0 2,-0.3 2,-0.0 332,-0.1 -0.903 360.0 164.8 -95.9 118.3 18.3 20.9 1.7 3 4 A F - 0 0 19 -2,-0.6 2,-1.0 331,-0.1 254,-0.0 -0.941 44.0-116.6-125.2 153.3 18.3 17.3 3.0 4 5 A V + 0 0 7 -2,-0.3 3,-0.1 1,-0.2 330,-0.1 -0.782 37.7 176.1 -85.5 99.8 19.6 15.9 6.3 5 6 A R + 0 0 59 -2,-1.0 2,-1.9 1,-0.2 108,-0.8 0.811 61.1 74.6 -84.5 -28.2 22.4 13.6 4.9 6 7 A N S S+ 0 0 55 106,-0.2 2,-0.3 107,-0.1 -1,-0.2 -0.536 86.8 77.4 -86.5 71.9 23.9 12.4 8.2 7 8 A A S S- 0 0 15 -2,-1.9 2,-0.4 -3,-0.1 106,-0.2 -0.950 85.5 -94.5-166.9 161.5 21.0 10.0 8.9 8 9 A W - 0 0 19 -2,-0.3 2,-0.4 114,-0.2 103,-0.2 -0.717 38.5-175.6 -90.4 137.1 19.8 6.6 7.8 9 10 A Y E -A 110 0A 4 101,-2.6 101,-2.8 -2,-0.4 2,-0.5 -0.984 31.2-114.2-127.6 145.6 17.2 6.4 5.1 10 11 A V E +A 109 0A 0 -2,-0.4 99,-0.2 99,-0.2 251,-0.1 -0.650 33.4 175.4 -73.9 123.1 15.4 3.4 3.7 11 12 A A E - 0 0 0 97,-2.9 2,-0.3 -2,-0.5 -1,-0.2 0.651 60.8 -11.3-100.6 -22.2 16.5 3.1 0.1 12 13 A A E -A 108 0A 0 96,-0.9 96,-2.2 249,-0.0 -1,-0.3 -0.983 63.5-104.6-166.6 159.8 14.7 -0.1 -0.9 13 14 A L > - 0 0 4 -2,-0.3 3,-2.4 94,-0.2 4,-0.4 -0.805 40.4-119.8 -89.5 145.0 12.8 -3.1 0.3 14 15 A P G > S+ 0 0 19 0, 0.0 3,-1.8 0, 0.0 -1,-0.1 0.855 112.8 61.0 -55.1 -37.1 14.9 -6.2 0.3 15 16 A E G 3 S+ 0 0 127 1,-0.3 91,-0.0 91,-0.2 -3,-0.0 0.615 95.6 64.0 -67.4 -10.2 12.6 -7.9 -2.1 16 17 A E G < S+ 0 0 56 -3,-2.4 -1,-0.3 2,-0.0 2,-0.2 0.637 93.7 77.3 -79.8 -15.3 13.3 -5.1 -4.6 17 18 A L < + 0 0 14 -3,-1.8 2,-0.2 -4,-0.4 17,-0.1 -0.620 47.9 140.9-107.8 155.5 16.9 -6.0 -4.9 18 19 A S - 0 0 55 2,-0.5 17,-2.6 15,-0.3 4,-0.1 -0.865 69.8 -66.5-162.5-166.6 18.8 -8.8 -6.8 19 20 A E S S+ 0 0 103 -2,-0.2 41,-0.3 15,-0.2 -2,-0.0 0.675 116.0 80.9 -73.3 -14.0 22.0 -9.4 -8.7 20 21 A K S S- 0 0 166 39,-0.1 -2,-0.5 1,-0.0 39,-0.1 -0.830 94.8-118.7 -88.0 117.2 20.4 -7.0 -11.3 21 22 A P - 0 0 9 0, 0.0 2,-0.5 0, 0.0 13,-0.2 -0.208 16.9-144.8 -62.5 149.1 21.1 -3.5 -10.0 22 23 A L E -C 33 0B 45 11,-2.5 11,-2.6 -4,-0.1 2,-0.6 -0.956 9.1-147.8-107.3 123.8 18.3 -1.1 -9.2 23 24 A G E +C 32 0B 42 -2,-0.5 2,-0.3 9,-0.2 9,-0.2 -0.855 31.6 157.1 -91.9 120.1 19.0 2.5 -10.0 24 25 A R E -C 31 0B 25 7,-2.0 7,-2.7 -2,-0.6 2,-0.5 -0.996 33.1-136.9-144.7 140.5 17.2 4.8 -7.4 25 26 A T E +C 30 0B 43 -2,-0.3 2,-0.4 5,-0.3 3,-0.1 -0.850 20.7 179.7-100.1 127.7 17.9 8.4 -6.3 26 27 A I E > S-C 29 0B 1 3,-2.3 3,-1.8 -2,-0.5 229,-0.3 -0.996 73.5 -3.5-125.3 137.0 17.8 9.3 -2.7 27 28 A L T 3 S- 0 0 1 227,-2.5 229,-0.2 -2,-0.4 -1,-0.2 0.913 131.7 -57.5 49.0 48.0 18.5 12.9 -1.4 28 29 A D T 3 S+ 0 0 73 227,-2.9 -1,-0.3 1,-0.2 228,-0.1 0.699 114.3 121.9 58.2 23.9 19.3 13.9 -5.1 29 30 A T E < -C 26 0B 1 -3,-1.8 -3,-2.3 226,-0.2 2,-0.4 -0.961 60.4-136.5-120.9 114.6 22.0 11.1 -5.1 30 31 A P E -C 25 0B 13 0, 0.0 16,-3.1 0, 0.0 2,-0.3 -0.610 27.1-168.7 -77.4 127.6 21.7 8.5 -7.7 31 32 A L E -CD 24 45B 1 -7,-2.7 -7,-2.0 -2,-0.4 2,-0.6 -0.871 23.5-148.1-115.6 146.3 22.4 5.0 -6.3 32 33 A A E -CD 23 44B 0 12,-3.0 12,-2.3 -2,-0.3 2,-0.5 -0.971 25.8-170.5-107.8 118.3 23.1 1.6 -7.8 33 34 A L E +CD 22 43B 0 -11,-2.6 -11,-2.5 -2,-0.6 2,-0.3 -0.929 16.0 149.5-116.3 126.1 21.7 -1.0 -5.3 34 35 A Y E - D 0 42B 0 8,-2.1 8,-2.9 -2,-0.5 2,-0.6 -0.992 43.5-119.9-152.1 159.1 22.3 -4.7 -5.7 35 36 A R E - D 0 41B 57 -17,-2.6 6,-0.2 -2,-0.3 5,-0.1 -0.918 34.6-135.6-101.2 120.6 22.7 -7.9 -3.8 36 37 A Q > - 0 0 35 4,-2.6 3,-2.4 -2,-0.6 28,-0.1 -0.184 29.8 -98.0 -62.9 162.2 26.1 -9.5 -4.3 37 38 A P T 3 S+ 0 0 77 0, 0.0 -1,-0.1 0, 0.0 -18,-0.0 0.838 126.2 56.9 -51.1 -34.6 26.5 -13.3 -4.9 38 39 A D T 3 S- 0 0 119 2,-0.1 3,-0.1 25,-0.1 -2,-0.1 0.369 122.2-107.4 -84.3 7.0 27.3 -13.7 -1.2 39 40 A G S < S+ 0 0 32 -3,-2.4 2,-0.4 1,-0.3 -1,-0.1 0.261 76.6 131.8 94.3 -8.8 24.0 -12.1 -0.3 40 41 A V - 0 0 79 -5,-0.1 -4,-2.6 1,-0.1 2,-0.3 -0.625 54.5-129.2 -83.6 128.9 25.4 -8.7 1.0 41 42 A V E -D 35 0B 10 -2,-0.4 2,-0.3 -6,-0.2 -6,-0.2 -0.582 23.8-165.6 -76.3 133.5 23.7 -5.6 -0.4 42 43 A A E -D 34 0B 4 -8,-2.9 -8,-2.1 -2,-0.3 2,-0.4 -0.904 9.2-162.3-114.8 152.2 25.9 -2.9 -1.9 43 44 A A E +D 33 0B 1 33,-0.5 56,-2.9 56,-0.4 2,-0.3 -0.948 15.4 176.9-136.1 111.0 25.1 0.7 -2.7 44 45 A L E -DE 32 98B 0 -12,-2.3 -12,-3.0 -2,-0.4 54,-0.2 -0.840 42.8 -95.8-113.1 146.1 27.4 2.6 -5.1 45 46 A L E -D 31 0B 10 52,-2.5 2,-1.7 -2,-0.3 -14,-0.3 -0.489 39.8-128.5 -53.8 128.3 27.1 6.1 -6.5 46 47 A D S S+ 0 0 1 -16,-3.1 2,-0.3 -2,-0.2 -1,-0.1 -0.250 82.9 91.1 -86.2 49.8 25.5 5.4 -9.8 47 48 A I S S- 0 0 5 -2,-1.7 50,-0.2 7,-0.2 6,-0.2 -0.916 76.0-131.7-147.8 104.9 28.1 7.4 -11.7 48 49 A C > - 0 0 2 5,-2.3 4,-2.0 -2,-0.3 5,-0.1 -0.430 15.2-133.3 -63.7 133.2 31.2 5.6 -13.0 49 50 A P T 4 S+ 0 0 18 0, 0.0 602,-1.8 0, 0.0 -1,-0.1 0.685 98.9 59.6 -62.7 -18.2 34.4 7.5 -12.0 50 51 A H T 4 S- 0 0 2 600,-0.2 601,-0.7 44,-0.2 44,-0.0 0.988 135.8 -19.9 -70.8 -75.5 35.7 7.2 -15.6 51 52 A R T 4 S- 0 0 27 599,-0.2 -1,-0.1 601,-0.0 -3,-0.0 0.154 92.8-103.3-130.5 17.8 33.1 8.9 -17.8 52 53 A F < + 0 0 28 -4,-2.0 587,-0.1 1,-0.2 591,-0.1 0.621 59.9 160.2 80.7 18.7 30.0 8.9 -15.5 53 54 A A - 0 0 1 -6,-0.2 -5,-2.3 1,-0.1 2,-0.8 -0.298 52.2 -92.0 -66.3 153.7 28.0 6.1 -17.0 54 55 A P > - 0 0 1 0, 0.0 3,-1.6 0, 0.0 -7,-0.2 -0.594 28.7-163.8 -69.2 110.1 25.2 4.5 -14.9 55 56 A L G > S+ 0 0 0 -2,-0.8 3,-2.5 1,-0.3 11,-0.1 0.832 87.3 72.2 -56.4 -31.6 26.7 1.5 -13.1 56 57 A S G 3 S+ 0 0 16 1,-0.3 -1,-0.3 -3,-0.1 -33,-0.1 0.618 89.4 58.5 -63.0 -15.7 23.1 0.5 -12.5 57 58 A D G < S+ 0 0 90 -3,-1.6 -1,-0.3 -35,-0.1 -2,-0.2 0.339 96.5 88.7 -92.1 2.6 22.8 -0.4 -16.2 58 59 A G < - 0 0 7 -3,-2.5 2,-0.3 -4,-0.1 9,-0.2 -0.288 69.9-129.7 -91.6 179.4 25.7 -2.9 -15.8 59 60 A I E -F 66 0C 97 7,-0.5 7,-2.8 -39,-0.1 2,-0.4 -0.829 29.8 -91.9-124.0 164.0 25.8 -6.5 -14.9 60 61 A L E -F 65 0C 29 -2,-0.3 2,-0.5 -41,-0.3 5,-0.2 -0.628 32.9-173.3 -76.8 134.6 27.8 -8.5 -12.4 61 62 A V E > S-F 64 0C 38 3,-3.3 3,-1.1 -2,-0.4 -2,-0.0 -0.967 81.8 -14.6-126.1 110.9 31.1 -10.0 -13.6 62 63 A N T 3 S- 0 0 136 -2,-0.5 3,-0.1 1,-0.3 -1,-0.1 0.855 129.1 -56.1 63.1 35.1 32.6 -12.3 -10.9 63 64 A G T 3 S+ 0 0 15 1,-0.3 2,-0.4 12,-0.0 -1,-0.3 0.538 118.3 115.8 74.9 6.5 30.2 -10.7 -8.3 64 65 A H E < S-F 61 0C 57 -3,-1.1 -3,-3.3 11,-0.1 2,-0.4 -0.903 73.8-116.1-111.8 133.9 31.6 -7.3 -9.2 65 66 A L E -FG 60 74C 0 9,-1.5 9,-2.2 -2,-0.4 2,-0.5 -0.564 31.6-151.4 -69.5 121.6 29.4 -4.6 -10.8 66 67 A Q E -FG 59 73C 10 -7,-2.8 -7,-0.5 -2,-0.4 7,-0.2 -0.840 15.4-121.9 -97.8 125.3 30.8 -4.0 -14.3 67 68 A C > - 0 0 2 5,-3.1 4,-1.1 -2,-0.5 -12,-0.1 -0.443 17.8-140.1 -59.4 132.7 30.3 -0.5 -15.9 68 69 A P T 4 S+ 0 0 19 0, 0.0 -1,-0.1 0, 0.0 -13,-0.1 0.611 90.9 58.9 -74.9 -7.8 28.5 -1.0 -19.1 69 70 A Y T 4 S- 0 0 6 434,-0.1 435,-0.8 3,-0.1 434,-0.4 0.975 130.3 -9.4 -89.2 -63.1 30.5 1.6 -21.0 70 71 A H T 4 S- 0 0 2 433,-0.1 15,-0.1 432,-0.1 -1,-0.0 0.183 96.4-109.2-128.5 12.4 34.2 0.6 -20.9 71 72 A G < + 0 0 0 -4,-1.1 2,-0.1 1,-0.2 429,-0.0 0.593 51.2 164.3 82.6 15.9 34.0 -2.3 -18.4 72 73 A L - 0 0 1 11,-0.1 -5,-3.1 -6,-0.1 2,-0.4 -0.420 30.0-140.1 -55.8 142.2 35.7 -1.1 -15.2 73 74 A E E -GH 66 82C 17 9,-2.1 8,-2.5 -7,-0.2 9,-1.1 -0.911 18.0-168.2-115.7 140.6 34.7 -3.5 -12.4 74 75 A F E -GH 65 80C 0 -9,-2.2 -9,-1.5 -2,-0.4 6,-0.2 -0.938 11.4-142.1-127.3 145.1 33.8 -2.5 -8.8 75 76 A D > - 0 0 39 4,-1.9 3,-2.2 -2,-0.3 -11,-0.1 -0.428 44.1 -88.7 -95.1-179.4 33.3 -4.3 -5.5 76 77 A G T 3 S+ 0 0 14 1,-0.3 -33,-0.5 2,-0.1 -42,-0.1 0.656 127.3 56.2 -70.3 -14.9 30.7 -3.5 -2.9 77 78 A G T 3 S- 0 0 58 2,-0.1 -1,-0.3 -35,-0.1 21,-0.3 0.297 120.3-108.5 -92.2 6.2 33.1 -1.1 -1.1 78 79 A G < + 0 0 0 -3,-2.2 18,-2.7 1,-0.3 2,-0.2 0.462 68.6 149.2 82.2 2.7 33.5 0.8 -4.4 79 80 A Q - 0 0 103 16,-0.2 -4,-1.9 1,-0.1 2,-0.6 -0.479 52.0-123.8 -69.3 132.2 37.0 -0.3 -5.0 80 81 A C E +H 74 0C 1 -6,-0.2 -6,-0.3 -2,-0.2 3,-0.1 -0.724 35.5 174.5 -73.1 121.0 37.9 -0.6 -8.7 81 82 A V E + 0 0 36 -8,-2.5 2,-0.3 -2,-0.6 -7,-0.2 0.460 60.3 29.7-114.0 -5.8 39.1 -4.3 -8.9 82 83 A H E -H 73 0C 82 -9,-1.1 -9,-2.1 7,-0.1 -1,-0.3 -0.896 51.0-176.5-154.1 129.4 39.6 -4.6 -12.7 83 84 A N - 0 0 9 5,-0.4 -11,-0.1 -2,-0.3 -12,-0.1 -0.957 9.5-165.1-120.0 109.0 40.6 -2.2 -15.4 84 85 A P + 0 0 24 0, 0.0 2,-0.4 0, 0.0 -1,-0.1 0.537 58.3 95.4 -65.3 -8.7 40.6 -3.9 -18.9 85 86 A H S > S- 0 0 3 4,-0.1 3,-2.0 -15,-0.1 4,-0.3 -0.742 90.6 -42.0-107.6 130.4 42.6 -1.2 -20.6 86 87 A G T 3 S- 0 0 64 -2,-0.4 431,-0.1 1,-0.3 -3,-0.0 -0.402 127.8 -5.2 67.6-131.8 46.3 -0.8 -21.3 87 88 A N T 3 S- 0 0 141 -2,-0.1 -1,-0.3 1,-0.1 -4,-0.1 0.528 94.5-121.4 -77.4 -4.1 48.5 -1.9 -18.4 88 89 A G < + 0 0 19 -3,-2.0 -5,-0.4 1,-0.2 -2,-0.1 0.679 48.0 174.1 75.6 18.8 45.3 -2.4 -16.3 89 90 A A - 0 0 48 -4,-0.3 -1,-0.2 1,-0.1 -4,-0.1 -0.299 19.1-159.9 -65.2 140.7 46.5 0.1 -13.7 90 91 A R + 0 0 129 -9,-0.1 -1,-0.1 3,-0.0 -10,-0.1 -0.628 13.6 179.0-125.7 75.2 44.0 0.9 -10.9 91 92 A P > - 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