==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=3-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER PLANT PROTEIN 12-MAR-07 2P4H . COMPND 2 MOLECULE: VESTITONE REDUCTASE; . SOURCE 2 ORGANISM_SCIENTIFIC: MEDICAGO SATIVA; . AUTHOR X.WANG,H.SHAO,R.A.DIXON . 310 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14650.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 205 66.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 43 13.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 5 1.6 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 . 21 6.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 30 9.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 95 30.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 1.6 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 1 1 0 0 0 1 1 1 0 1 0 1 0 0 1 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 2 2 3 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 PARALLEL BRIDGES PER LADDER . 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 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 1 0 1 0 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 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 5 X K 0 0 152 0, 0.0 2,-0.2 0, 0.0 25,-0.2 0.000 360.0 360.0 360.0 0.1 11.9 -44.2 -13.3 2 6 X G - 0 0 27 23,-0.4 25,-2.5 2,-0.0 2,-0.4 -0.576 360.0 -66.5 124.4 171.9 14.2 -42.0 -11.2 3 7 X R E -a 27 0A 93 68,-0.5 70,-2.7 23,-0.2 71,-1.1 -0.832 39.1-167.5-104.1 136.1 14.0 -39.0 -8.8 4 8 X V E -ab 28 74A 0 23,-2.1 25,-2.4 -2,-0.4 2,-0.6 -0.975 14.4-140.8-123.8 134.5 13.0 -35.5 -9.9 5 9 X C E -ab 29 75A 0 69,-2.4 71,-3.0 -2,-0.4 2,-0.5 -0.848 19.6-170.9 -96.1 124.0 13.5 -32.3 -7.9 6 10 X V E -ab 30 76A 0 23,-2.9 25,-1.5 -2,-0.6 3,-0.4 -0.962 7.8-153.5-116.9 121.7 10.6 -29.9 -8.2 7 11 X T E S+ab 31 77A 0 69,-2.1 71,-0.5 -2,-0.5 25,-0.2 -0.577 78.3 33.5 -89.3 158.8 10.8 -26.4 -6.8 8 12 X G S > S+ 0 0 12 23,-0.7 3,-1.9 -2,-0.2 6,-0.4 0.885 71.8 172.2 65.7 40.6 7.7 -24.5 -5.7 9 13 X G T 3 S+ 0 0 0 22,-2.4 23,-0.2 -3,-0.4 9,-0.2 0.692 70.6 48.4 -55.7 -27.4 6.0 -27.7 -4.6 10 14 X T T 3 S+ 0 0 30 21,-0.2 -1,-0.3 4,-0.1 22,-0.1 0.449 91.9 100.8 -95.2 -0.0 2.9 -26.1 -3.0 11 15 X G S <> S- 0 0 32 -3,-1.9 4,-2.8 175,-0.1 5,-0.3 -0.316 88.9-102.1 -78.0 167.6 2.2 -23.8 -5.9 12 16 X F H > S+ 0 0 30 2,-0.2 4,-1.6 1,-0.2 173,-0.3 0.958 120.3 32.7 -53.5 -57.8 -0.5 -24.5 -8.5 13 17 X L H > S+ 0 0 16 2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.942 119.4 51.8 -68.6 -47.1 1.9 -25.8 -11.2 14 18 X G H > S+ 0 0 1 -6,-0.4 4,-2.1 1,-0.2 -5,-0.2 0.913 110.8 47.0 -56.5 -46.4 4.4 -27.4 -8.9 15 19 X S H X S+ 0 0 0 -4,-2.8 4,-2.2 -7,-0.3 -1,-0.2 0.878 112.1 50.2 -66.4 -36.2 1.9 -29.4 -7.0 16 20 X W H X S+ 0 0 13 -4,-1.6 4,-2.6 -5,-0.3 -1,-0.2 0.909 110.0 50.9 -67.9 -38.9 0.2 -30.6 -10.1 17 21 X I H X S+ 0 0 2 -4,-2.6 4,-2.9 2,-0.2 -2,-0.2 0.881 108.8 51.3 -64.7 -37.2 3.6 -31.7 -11.5 18 22 X I H X S+ 0 0 0 -4,-2.1 4,-2.4 2,-0.2 5,-0.2 0.937 110.1 49.7 -64.1 -44.5 4.4 -33.6 -8.3 19 23 X K H X S+ 0 0 41 -4,-2.2 4,-2.1 1,-0.2 -2,-0.2 0.942 113.6 46.6 -56.3 -49.1 1.0 -35.4 -8.6 20 24 X S H X S+ 0 0 3 -4,-2.6 4,-1.7 1,-0.2 -2,-0.2 0.898 110.1 51.7 -61.4 -45.8 1.8 -36.2 -12.2 21 25 X L H <>S+ 0 0 0 -4,-2.9 5,-2.5 1,-0.2 -1,-0.2 0.919 110.8 48.1 -60.1 -44.1 5.4 -37.4 -11.5 22 26 X L H ><5S+ 0 0 12 -4,-2.4 3,-1.3 1,-0.2 -1,-0.2 0.895 110.3 51.6 -64.7 -39.3 4.1 -39.8 -8.8 23 27 X E H 3<5S+ 0 0 108 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.812 108.6 53.6 -66.4 -29.3 1.4 -41.1 -11.0 24 28 X N T 3<5S- 0 0 64 -4,-1.7 -1,-0.3 -5,-0.2 -2,-0.2 0.217 124.6 -96.1 -92.7 14.4 4.0 -41.8 -13.7 25 29 X G T < 5S+ 0 0 30 -3,-1.3 -23,-0.4 1,-0.3 -3,-0.2 0.536 80.4 128.5 88.8 6.3 6.4 -43.8 -11.6 26 30 X Y < - 0 0 4 -5,-2.5 2,-0.3 -25,-0.2 -1,-0.3 -0.553 53.0-131.4 -93.9 161.1 8.9 -41.2 -10.5 27 31 X S E -a 3 0A 21 -25,-2.5 -23,-2.1 -2,-0.2 2,-0.4 -0.756 28.7-142.3-102.2 156.8 10.1 -40.4 -7.0 28 32 X V E -ac 4 52A 0 23,-3.5 25,-2.8 -2,-0.3 2,-0.4 -0.977 21.8-171.5-135.6 135.0 10.1 -36.7 -6.0 29 33 X N E -ac 5 53A 2 -25,-2.4 -23,-2.9 -2,-0.4 2,-0.3 -0.927 25.8-175.4-110.9 138.6 12.2 -34.2 -4.0 30 34 X T E -ac 6 54A 0 23,-2.4 25,-2.3 -2,-0.4 2,-0.4 -0.992 23.9-160.3-143.4 150.1 10.6 -30.8 -3.5 31 35 X T E -a 7 0A 9 -25,-1.5 -22,-2.4 -2,-0.3 -23,-0.7 -0.944 23.7-162.8-120.9 143.1 11.3 -27.4 -2.0 32 36 X I - 0 0 63 23,-0.5 2,-0.5 -2,-0.4 25,-0.2 -0.874 22.6-107.8-130.8 163.6 8.5 -25.1 -1.1 33 37 X R - 0 0 158 -2,-0.3 25,-0.0 25,-0.0 -23,-0.0 -0.785 38.1-124.2 -91.7 123.4 7.7 -21.5 -0.4 34 38 X A 0 0 89 -2,-0.5 -1,-0.0 1,-0.1 0, 0.0 -0.319 360.0 360.0 -64.9 147.4 6.9 -20.8 3.3 35 39 X D 0 0 121 -2,-0.0 -1,-0.1 0, 0.0 0, 0.0 -0.814 360.0 360.0-117.9 360.0 3.6 -19.1 4.0 36 ! 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 37 44 X R 0 0 240 0, 0.0 2,-0.3 0, 0.0 -3,-0.0 0.000 360.0 360.0 360.0 -54.0 2.4 -25.1 7.6 38 45 X D + 0 0 98 1,-0.1 3,-0.2 2,-0.0 0, 0.0 -0.852 360.0 158.7-149.9 109.3 0.2 -27.6 5.8 39 46 X V >> + 0 0 35 -2,-0.3 4,-2.6 1,-0.1 3,-2.1 0.039 38.6 121.7-115.6 23.4 1.3 -29.9 3.0 40 47 X S H 3> + 0 0 52 1,-0.3 4,-2.0 2,-0.2 5,-0.2 0.841 68.5 62.5 -55.8 -36.0 -1.4 -32.5 3.4 41 48 X F H 34 S+ 0 0 39 1,-0.2 -1,-0.3 -3,-0.2 -2,-0.1 0.686 113.2 37.9 -65.9 -14.2 -2.7 -32.0 -0.1 42 49 X L H X4 S+ 0 0 0 -3,-2.1 3,-1.5 2,-0.1 -2,-0.2 0.835 115.6 48.3 -98.9 -49.2 0.8 -33.2 -1.2 43 50 X T H 3< S+ 0 0 59 -4,-2.6 6,-0.3 1,-0.3 -2,-0.2 0.693 109.2 56.5 -66.9 -17.8 1.5 -35.9 1.3 44 51 X N T 3< S+ 0 0 125 -4,-2.0 -1,-0.3 -5,-0.3 -3,-0.1 0.535 81.5 112.7 -89.6 -8.0 -1.9 -37.4 0.7 45 52 X L S X S- 0 0 18 -3,-1.5 3,-2.4 -5,-0.2 4,-0.4 -0.374 86.9 -88.3 -64.5 141.7 -1.3 -37.7 -3.0 46 53 X P T 3 S+ 0 0 100 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 -0.273 113.6 11.7 -53.6 128.7 -1.0 -41.4 -4.2 47 54 X G T >> S+ 0 0 30 -3,-0.1 4,-1.7 -4,-0.1 3,-0.8 0.309 95.9 109.5 86.8 -8.6 2.5 -42.6 -3.8 48 55 X A H <> + 0 0 4 -3,-2.4 4,-2.3 1,-0.2 -4,-0.1 0.890 64.4 66.2 -67.7 -41.4 3.7 -39.7 -1.7 49 56 X S H 34 S+ 0 0 99 -4,-0.4 -1,-0.2 -6,-0.3 -6,-0.1 0.663 119.1 24.4 -57.2 -14.5 4.1 -41.5 1.6 50 57 X E H <4 S+ 0 0 130 -3,-0.8 -1,-0.2 3,-0.0 -2,-0.2 0.587 133.6 30.4-124.4 -17.6 6.9 -43.5 -0.0 51 58 X K H < S+ 0 0 88 -4,-1.7 -23,-3.5 -24,-0.1 2,-0.5 0.429 94.4 88.1-125.3 0.2 8.3 -41.4 -2.8 52 59 X L E < +c 28 0A 14 -4,-2.3 2,-0.4 -25,-0.2 -23,-0.2 -0.902 49.2 178.6-107.3 127.1 7.9 -37.7 -1.9 53 60 X H E -c 29 0A 72 -25,-2.8 -23,-2.4 -2,-0.5 2,-0.3 -0.980 16.2-143.5-129.4 138.4 10.6 -36.0 0.1 54 61 X F E -c 30 0A 76 -2,-0.4 2,-0.4 -25,-0.2 -23,-0.2 -0.771 14.9-172.1-102.9 146.1 10.8 -32.4 1.3 55 62 X F - 0 0 60 -25,-2.3 -23,-0.5 -2,-0.3 2,-0.2 -0.994 22.2-126.8-137.6 140.5 13.9 -30.2 1.6 56 63 X N + 0 0 164 -2,-0.4 2,-0.3 -25,-0.1 12,-0.2 -0.606 44.9 147.9 -81.3 146.9 14.6 -26.8 3.1 57 64 X A - 0 0 41 -2,-0.2 2,-0.4 -25,-0.2 8,-0.1 -0.969 41.5-132.8-170.5 161.5 16.3 -24.4 0.6 58 65 X D > - 0 0 96 3,-0.4 3,-1.7 -2,-0.3 6,-0.2 -0.998 24.0-131.5-127.4 125.8 16.6 -20.7 -0.3 59 66 X L T 3 S+ 0 0 34 -2,-0.4 37,-0.3 1,-0.3 38,-0.2 0.759 105.3 48.4 -45.1 -35.3 16.3 -19.8 -4.0 60 67 X S T 3 S+ 0 0 41 36,-0.1 -1,-0.3 1,-0.1 33,-0.0 0.681 95.8 76.5 -84.3 -19.0 19.4 -17.6 -3.9 61 68 X N X - 0 0 75 -3,-1.7 3,-1.2 1,-0.2 -3,-0.4 -0.797 58.8-167.7 -99.4 102.0 21.8 -20.1 -2.1 62 69 X P G > S+ 0 0 36 0, 0.0 3,-2.0 0, 0.0 4,-0.3 0.889 87.3 57.0 -51.4 -44.6 23.0 -22.8 -4.5 63 70 X D G > S+ 0 0 123 1,-0.3 3,-1.4 2,-0.2 4,-0.4 0.793 93.2 67.8 -60.5 -28.4 24.4 -24.9 -1.7 64 71 X S G < S+ 0 0 30 -3,-1.2 -1,-0.3 1,-0.3 4,-0.3 0.616 100.6 51.3 -67.9 -9.8 21.0 -25.1 0.0 65 72 X F G <> S+ 0 0 1 -3,-2.0 4,-1.8 -4,-0.3 -1,-0.3 0.480 80.4 97.6-102.0 -7.3 19.8 -27.2 -2.9 66 73 X A H <> S+ 0 0 43 -3,-1.4 4,-0.8 -4,-0.3 3,-0.3 0.897 88.6 40.2 -49.1 -51.5 22.7 -29.7 -2.8 67 74 X A H >4 S+ 0 0 64 -4,-0.4 3,-0.5 1,-0.2 -1,-0.2 0.893 112.2 56.8 -67.6 -39.4 20.7 -32.4 -0.9 68 75 X A H 34 S+ 0 0 0 -4,-0.3 -1,-0.2 1,-0.2 -2,-0.2 0.776 114.1 37.5 -64.2 -28.6 17.5 -31.8 -2.8 69 76 X I H >< S+ 0 0 11 -4,-1.8 3,-2.1 -3,-0.3 -1,-0.2 0.484 84.3 125.9-102.4 -3.7 19.1 -32.5 -6.2 70 77 X E T << S+ 0 0 146 -4,-0.8 -3,-0.0 -3,-0.5 34,-0.0 -0.333 86.4 0.0 -58.5 127.6 21.4 -35.3 -5.1 71 78 X G T 3 S+ 0 0 41 1,-0.2 -68,-0.5 -2,-0.1 -1,-0.3 0.510 97.2 144.0 72.1 5.3 20.8 -38.4 -7.3 72 79 X C < - 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