==== 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 OXIDOREDUCTASE 02-DEC-05 2D8A . COMPND 2 MOLECULE: PROBABLE L-THREONINE 3-DEHYDROGENASE; . SOURCE 2 ORGANISM_SCIENTIFIC: PYROCOCCUS HORIKOSHII; . AUTHOR Y.ASADA,N.KUNISHIMA,RIKEN STRUCTURAL GENOMICS/PROTEOMICS INI . 333 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 15084.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 226 67.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 33 9.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 44 13.2 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 . 0 0.0 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 . 27 8.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 27 8.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 75 22.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 9 2.7 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 3 0 0 0 2 1 2 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 1 3 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 PARALLEL BRIDGES PER LADDER . 1 2 3 0 1 1 0 1 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 . 1 0 1 0 1 1 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 3 A E 0 0 168 0, 0.0 21,-2.1 0, 0.0 2,-0.2 0.000 360.0 360.0 360.0 126.2 31.2 -0.3 26.7 2 4 A K E -A 21 0A 117 19,-0.2 2,-0.3 17,-0.0 19,-0.2 -0.667 360.0-167.2-107.4 163.6 28.2 2.0 26.9 3 5 A X E -A 20 0A 1 17,-2.3 17,-2.2 -2,-0.2 2,-0.3 -0.989 24.3-110.0-148.7 154.9 27.9 5.8 27.1 4 6 A V E +A 19 0A 36 -2,-0.3 110,-1.4 15,-0.2 2,-0.3 -0.618 40.1 173.7 -85.0 144.2 25.2 8.4 27.8 5 7 A A E -AB 18 113A 0 13,-2.5 13,-2.8 -2,-0.3 2,-0.8 -0.997 36.2-128.5-152.8 147.1 24.0 10.6 24.9 6 8 A I E -A 17 0A 0 106,-2.9 57,-2.1 -2,-0.3 2,-0.4 -0.873 46.3-178.7 -93.7 113.2 21.4 13.2 24.2 7 9 A X E -AC 16 62A 21 9,-3.2 9,-2.8 -2,-0.8 2,-1.4 -0.928 41.0-133.7-128.3 145.3 19.6 11.9 21.1 8 10 A K E + C 0 61A 2 53,-2.8 53,-1.3 -2,-0.4 7,-0.1 -0.753 32.7 178.6 -87.3 92.7 16.9 12.8 18.7 9 11 A T - 0 0 40 -2,-1.4 -1,-0.2 51,-0.2 6,-0.1 0.859 58.3 -13.4 -66.5 -40.1 15.2 9.4 18.7 10 12 A K S S- 0 0 129 -3,-0.2 -1,-0.1 3,-0.1 51,-0.1 -0.955 88.3 -63.3-156.4 170.9 12.3 10.2 16.4 11 13 A P S S+ 0 0 86 0, 0.0 2,-0.3 0, 0.0 -2,-0.0 -0.338 89.7 61.0 -61.9 140.4 10.5 13.1 14.7 12 14 A G S S- 0 0 28 38,-0.1 2,-0.1 2,-0.1 -2,-0.1 -0.819 88.5 -34.3 135.4-175.3 8.8 15.4 17.1 13 15 A Y S S+ 0 0 115 -2,-0.3 35,-0.2 36,-0.1 -3,-0.1 -0.366 96.2 3.8 -79.3 158.6 9.5 17.8 20.0 14 16 A G S S- 0 0 10 33,-1.0 2,-0.3 -2,-0.1 -2,-0.1 -0.062 72.7-108.2 67.8-166.8 12.3 17.3 22.6 15 17 A A - 0 0 11 -7,-0.1 2,-0.4 -6,-0.1 -7,-0.2 -0.948 19.1-112.3-155.3 170.1 14.9 14.6 22.8 16 18 A E E -A 7 0A 88 -9,-2.8 -9,-3.2 -2,-0.3 2,-0.8 -0.924 12.6-138.1-118.4 139.8 15.9 11.5 24.8 17 19 A L E +A 6 0A 61 -2,-0.4 -11,-0.2 -11,-0.2 2,-0.2 -0.839 45.7 161.6 -91.8 109.9 18.8 10.9 27.2 18 20 A V E -A 5 0A 34 -13,-2.8 -13,-2.5 -2,-0.8 2,-0.5 -0.662 41.1-119.7-125.7 179.4 19.9 7.4 26.4 19 21 A E E +A 4 0A 134 -15,-0.2 2,-0.2 -2,-0.2 -15,-0.2 -0.983 38.6 161.7-124.9 119.4 22.8 4.9 26.6 20 22 A V E -A 3 0A 41 -17,-2.2 -17,-2.3 -2,-0.5 2,-0.0 -0.786 44.9 -71.1-129.6 172.8 24.3 3.5 23.5 21 23 A D E -A 2 0A 104 -2,-0.2 -19,-0.2 -19,-0.2 -1,-0.1 -0.342 51.8-107.0 -65.8 144.5 27.5 1.7 22.4 22 24 A V - 0 0 27 -21,-2.1 -1,-0.1 1,-0.1 94,-0.1 -0.629 46.5-117.8 -71.0 120.0 30.7 3.8 22.4 23 25 A P - 0 0 43 0, 0.0 -1,-0.1 0, 0.0 93,-0.1 -0.166 19.8-132.3 -60.4 155.0 31.3 4.2 18.6 24 26 A K - 0 0 161 -3,-0.0 2,-0.3 93,-0.0 93,-0.1 -0.940 20.9-117.5-113.1 130.4 34.4 2.9 17.0 25 27 A P - 0 0 5 0, 0.0 6,-0.1 0, 0.0 3,-0.1 -0.478 31.3-165.0 -70.0 126.1 36.5 5.0 14.6 26 28 A G > - 0 0 20 -2,-0.3 3,-2.0 1,-0.2 49,-0.2 -0.138 47.0 -35.7 -94.4-165.6 36.7 3.8 11.0 27 29 A P T 3 S+ 0 0 110 0, 0.0 -1,-0.2 0, 0.0 50,-0.2 -0.274 132.7 8.0 -56.2 133.1 39.1 4.8 8.2 28 30 A G T 3 S+ 0 0 29 48,-2.7 92,-3.2 1,-0.2 93,-0.4 0.608 112.4 105.9 72.0 11.1 40.0 8.5 8.3 29 31 A E E < -D 119 0B 65 -3,-2.0 46,-3.0 47,-0.3 2,-0.3 -0.814 49.5-161.5-121.7 162.7 38.2 8.9 11.7 30 32 A V E -DE 118 74B 0 88,-1.9 88,-2.5 -2,-0.3 2,-0.5 -0.934 18.1-126.8-136.8 159.3 39.2 9.3 15.3 31 33 A L E -DE 117 73B 8 42,-3.9 41,-3.2 -2,-0.3 42,-1.5 -0.936 25.3-168.2-111.4 129.1 37.4 8.9 18.6 32 34 A I E -DE 116 71B 0 84,-2.6 84,-2.1 -2,-0.5 2,-0.6 -0.890 20.1-134.9-118.5 148.8 37.3 11.7 21.1 33 35 A K E -DE 115 70B 68 37,-3.4 37,-2.3 -2,-0.4 2,-0.3 -0.892 34.1-122.2 -96.8 125.8 36.3 11.8 24.8 34 36 A V E + E 0 69B 0 80,-2.3 35,-0.2 -2,-0.6 3,-0.1 -0.537 36.3 169.8 -75.1 130.8 34.1 14.8 25.3 35 37 A L E S- 0 0 40 33,-2.5 299,-3.0 1,-0.5 2,-0.3 0.738 72.9 -2.5-104.8 -40.5 35.3 17.3 28.0 36 38 A A E -FE 333 68B 0 32,-2.0 32,-2.3 297,-0.2 -1,-0.5 -0.988 60.4-177.0-153.2 145.7 32.9 20.1 27.2 37 39 A T E -FE 332 67B 0 295,-2.0 295,-3.6 -2,-0.3 2,-0.3 -0.989 12.4-151.4-146.7 136.7 30.1 20.7 24.6 38 40 A S E -FE 331 66B 0 28,-0.9 28,-0.6 -2,-0.3 27,-0.5 -0.777 15.9-117.6-113.2 157.2 28.0 23.8 24.1 39 41 A I - 0 0 2 291,-2.2 291,-0.5 -2,-0.3 2,-0.2 -0.726 28.6-168.2 -96.2 140.5 24.5 24.3 22.7 40 42 A C > - 0 0 29 -2,-0.3 4,-1.7 289,-0.1 3,-0.3 -0.736 38.5-102.9-121.3 167.5 23.8 26.4 19.6 41 43 A G H > S+ 0 0 35 -2,-0.2 4,-1.7 1,-0.2 5,-0.2 0.868 121.0 57.9 -56.8 -37.7 20.7 27.8 17.9 42 44 A T H > S+ 0 0 43 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.904 103.4 52.3 -59.2 -43.4 20.8 25.0 15.4 43 45 A D H > S+ 0 0 0 -3,-0.3 4,-2.3 1,-0.2 -1,-0.2 0.883 106.5 53.9 -61.1 -39.1 20.5 22.4 18.2 44 46 A L H X S+ 0 0 23 -4,-1.7 4,-3.1 1,-0.2 -1,-0.2 0.860 106.7 51.5 -64.6 -35.6 17.5 24.3 19.6 45 47 A H H X>S+ 0 0 79 -4,-1.7 5,-1.5 2,-0.2 4,-1.2 0.864 110.4 48.1 -68.6 -37.1 15.8 24.0 16.2 46 48 A I H <5S+ 0 0 2 -4,-1.8 -2,-0.2 2,-0.2 -1,-0.2 0.886 113.5 49.2 -69.1 -37.8 16.4 20.3 16.0 47 49 A Y H <5S+ 0 0 6 -4,-2.3 -33,-1.0 1,-0.2 -2,-0.2 0.973 116.3 39.8 -63.5 -56.0 15.1 20.1 19.6 48 50 A E H <5S- 0 0 56 -4,-3.1 -1,-0.2 -35,-0.2 -2,-0.2 0.698 105.6-139.3 -66.2 -19.9 11.9 22.1 18.8 49 51 A W T <5 + 0 0 32 -4,-1.2 -3,-0.2 -5,-0.2 -4,-0.1 0.976 33.8 178.0 57.6 64.1 11.8 20.2 15.5 50 52 A N >< - 0 0 40 -5,-1.5 4,-3.4 1,-0.0 5,-0.2 -0.158 48.4 -77.7 -86.6-175.7 10.8 23.1 13.2 51 53 A E T 4 S+ 0 0 150 1,-0.2 4,-0.4 2,-0.2 -1,-0.0 0.872 131.0 51.0 -49.5 -44.5 10.3 23.2 9.4 52 54 A W T >> S+ 0 0 94 1,-0.2 3,-1.1 2,-0.2 4,-0.7 0.943 115.0 40.0 -61.3 -51.3 14.1 23.3 8.9 53 55 A A H >> S+ 0 0 0 1,-0.2 4,-2.3 -8,-0.2 3,-1.0 0.885 107.1 64.6 -66.0 -39.2 14.8 20.3 11.1 54 56 A Q H 3< S+ 0 0 100 -4,-3.4 -1,-0.2 1,-0.2 -2,-0.2 0.625 109.6 41.0 -59.1 -13.3 11.8 18.4 9.8 55 57 A S H <4 S+ 0 0 82 -3,-1.1 -1,-0.2 -4,-0.4 -2,-0.2 0.541 125.8 26.3-113.5 -10.4 13.5 18.4 6.4 56 58 A R H << S+ 0 0 86 -3,-1.0 2,-0.3 -4,-0.7 -2,-0.2 0.665 93.8 89.5-124.8 -28.3 17.1 17.6 7.1 57 59 A I < - 0 0 6 -4,-2.3 50,-0.1 -5,-0.2 4,-0.0 -0.595 51.7-165.5 -79.1 132.1 17.4 15.7 10.3 58 60 A K - 0 0 146 48,-0.3 -1,-0.1 -2,-0.3 -4,-0.0 -0.774 32.0-118.1-119.1 85.0 17.2 11.9 10.0 59 61 A P S S+ 0 0 37 0, 0.0 -50,-0.2 0, 0.0 2,-0.1 -0.213 87.2 60.3 -66.3 157.4 16.6 10.3 13.4 60 62 A P S S+ 0 0 94 0, 0.0 2,-0.3 0, 0.0 -51,-0.2 0.502 80.7 137.3 -74.5 146.7 17.8 8.5 15.4 61 63 A Q E -C 8 0A 16 -53,-1.3 -53,-2.8 -2,-0.1 2,-0.2 -0.937 55.2-113.8-162.9 135.5 20.8 10.8 15.8 62 64 A I E -C 7 0A 9 -2,-0.3 48,-1.6 -55,-0.2 -55,-0.2 -0.491 39.9-135.0 -69.7 133.9 23.0 12.2 18.5 63 65 A X + 0 0 2 -57,-2.1 49,-2.5 49,-0.3 -57,-0.2 -0.237 53.6 54.5 -85.7 174.9 22.7 16.0 18.8 64 66 A G - 0 0 0 41,-0.3 47,-0.7 46,-0.2 48,-0.2 0.308 35.9-166.3 84.2 151.2 25.3 18.8 19.2 65 67 A H + 0 0 12 -27,-0.5 2,-0.5 45,-0.2 24,-0.2 0.490 59.4 92.0-145.1 -21.2 28.4 19.9 17.3 66 68 A E E +E 38 0B 3 -28,-0.6 -28,-0.9 39,-0.1 2,-0.3 -0.721 58.4 153.7 -84.6 125.4 30.4 22.4 19.4 67 69 A V E -E 37 0B 3 -2,-0.5 22,-0.6 22,-0.2 2,-0.4 -0.987 44.1-159.0-155.1 161.0 33.0 20.5 21.4 68 70 A A E +EG 36 88B 0 -32,-2.3 -33,-2.5 -2,-0.3 -32,-2.0 -0.983 42.7 149.2-135.1 119.5 36.3 20.4 23.2 69 71 A G E -EG 34 87B 0 18,-3.3 18,-3.1 -2,-0.4 2,-0.4 -0.848 43.5-112.9-145.4-176.8 37.6 16.9 23.7 70 72 A E E -EG 33 86B 79 -37,-2.3 -37,-3.4 -2,-0.3 2,-0.3 -0.990 32.9-118.8-126.3 129.5 40.5 14.5 23.9 71 73 A V E +E 32 0B 0 14,-2.5 13,-2.8 -2,-0.4 -39,-0.3 -0.494 35.1 169.1 -67.9 127.4 41.4 11.9 21.3 72 74 A V E + 0 0 50 -41,-3.2 2,-0.3 1,-0.3 -40,-0.2 0.563 65.6 16.6-114.7 -15.0 41.3 8.4 22.8 73 75 A E E -E 31 0B 73 -42,-1.5 -42,-3.9 9,-0.1 2,-0.5 -0.941 62.2-148.7-160.8 135.4 41.5 6.3 19.7 74 76 A I E -E 30 0B 68 -2,-0.3 -44,-0.2 -44,-0.3 3,-0.1 -0.913 18.7-136.3-111.6 131.2 42.6 6.9 16.1 75 77 A G > - 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H 0 123B 4 -22,-0.6 2,-0.5 -2,-0.3 -22,-0.2 -0.942 1.9-142.6-126.9 137.7 35.9 20.3 15.7 90 92 A E - 0 0 3 32,-2.7 14,-0.1 -2,-0.4 -24,-0.0 -0.811 19.6-154.3 -88.2 126.0 35.1 22.2 12.5 91 93 A T + 0 0 7 -2,-0.5 13,-2.9 12,-0.1 2,-0.6 0.806 66.7 85.3 -75.5 -32.5 31.5 21.4 11.6 92 94 A H E -J 103 0C 65 11,-0.2 2,-0.9 30,-0.1 11,-0.2 -0.624 60.3-161.4 -79.2 117.9 31.5 22.0 7.8 93 95 A I E -J 102 0C 10 9,-2.3 9,-0.7 -2,-0.6 2,-0.1 -0.854 18.1-169.3 -98.2 100.7 32.7 18.9 5.9 94 96 A V - 0 0 99 -2,-0.9 8,-0.0 7,-0.2 188,-0.0 -0.467 23.4-145.8 -89.2 163.4 33.7 20.3 2.5 95 97 A C - 0 0 74 -2,-0.1 -1,-0.1 6,-0.0 -2,-0.0 0.719 24.3-137.5-100.3 -27.5 34.5 18.3 -0.6 96 98 A G S S+ 0 0 68 1,-0.0 -2,-0.0 0, 0.0 0, 0.0 0.649 85.9 87.2 78.6 14.4 37.2 20.4 -2.2 97 99 A K + 0 0 180 0, 0.0 -1,-0.0 0, 0.0 -3,-0.0 0.549 59.6 107.6-115.9 -19.1 35.7 20.0 -5.7 98 100 A C 0 0 97 1,-0.1 -4,-0.0 0, 0.0 0, 0.0 -0.043 360.0 360.0 -54.9 162.5 33.2 22.9 -5.5 99 101 A Y 0 0 284 0, 0.0 -1,-0.1 0, 0.0 0, 0.0 0.979 360.0 360.0 -61.7 360.0 34.0 26.0 -7.6 100 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 101 114 A T 0 0 115 0, 0.0 2,-0.2 0, 0.0 -7,-0.2 0.000 360.0 360.0 360.0-109.3 28.6 19.4 1.8 102 115 A K E -J 93 0C 86 -9,-0.7 -9,-2.3 5,-0.0 2,-0.5 -0.551 360.0-128.4 -92.4 158.0 27.3 17.8 5.0 103 116 A I E >> -J 92 0C 24 -11,-0.2 4,-2.9 -2,-0.2 3,-2.2 -0.914 20.2-120.9-111.3 126.9 27.4 19.3 8.5 104 117 A F T 34 S+ 0 0 4 -13,-2.9 6,-0.1 -2,-0.5 5,-0.1 -0.436 102.5 16.9 -62.7 127.1 28.8 17.5 11.5 105 118 A G T 34 S+ 0 0 0 4,-0.4 -41,-0.3 -2,-0.2 -1,-0.3 0.484 126.1 59.2 87.8 1.4 26.1 17.1 14.1 106 119 A V T <4 S+ 0 0 5 -3,-2.2 -48,-0.3 3,-0.1 -2,-0.2 0.594 119.1 20.6-125.4 -42.8 23.4 17.8 11.6 107 120 A D S < S+ 0 0 53 -4,-2.9 2,-0.3 -50,-0.1 -3,-0.2 0.237 133.7 35.3-110.9 7.4 23.9 15.1 9.0 108 121 A T S S- 0 0 36 -5,-0.5 -47,-0.0 -46,-0.1 -50,-0.0 -0.942 103.8 -66.8-150.8 168.5 25.8 12.9 11.4 109 122 A D - 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