==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=25-MAR-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ISOMERASE 14-APR-11 3RIT . COMPND 2 MOLECULE: DIPEPTIDE EPIMERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: METHYLOCOCCUS CAPSULATUS; . AUTHOR T.LUKK,A.SAKAI,L.SONG,J.A.GERLT,S.K.NAIR . 1780 10 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 63864.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 1250 70.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 161 9.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 168 9.4 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 . 5 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 5 0.3 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 . 1 0.1 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 . 89 5.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 187 10.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 544 30.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 28 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 15 10 0 5 5 0 0 6 4 6 12 2 0 0 0 5 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 15 10 9 6 5 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 . 5 11 3 1 0 5 0 0 0 0 1 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 5 10 0 0 0 0 0 5 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 1 A M 0 0 51 0, 0.0 38,-0.9 0, 0.0 39,-0.4 0.000 360.0 360.0 360.0 -15.2 -90.6 -1.1 -41.2 2 2 A K - 0 0 105 36,-0.2 37,-1.5 74,-0.1 76,-0.2 0.921 360.0-116.2 64.1 84.9 -92.9 -4.1 -41.3 3 3 A I E +A 38 0A 5 74,-2.6 73,-2.5 71,-0.3 35,-0.2 -0.358 33.1 176.0 -49.3 133.9 -91.9 -7.7 -42.1 4 4 A A E + 0 0 53 33,-3.0 2,-0.3 1,-0.4 34,-0.2 0.758 56.6 8.0-113.8 -54.8 -93.6 -9.0 -45.3 5 5 A D E -A 37 0A 60 32,-1.7 32,-2.0 70,-0.0 -1,-0.4 -0.964 51.1-160.8-133.3 156.3 -92.4 -12.5 -46.1 6 6 A I E -A 36 0A 4 -2,-0.3 2,-0.4 30,-0.2 30,-0.2 -0.960 12.2-176.3-136.8 124.6 -90.3 -15.2 -44.5 7 7 A Q E -A 35 0A 77 28,-2.5 28,-2.7 -2,-0.4 2,-0.4 -0.924 1.2-172.8-119.8 144.6 -88.6 -18.1 -46.4 8 8 A V E +A 34 0A 22 -2,-0.4 2,-0.3 26,-0.2 26,-0.2 -0.996 7.3 168.4-138.8 140.5 -86.6 -21.0 -45.1 9 9 A R E -A 33 0A 75 24,-1.9 24,-2.7 -2,-0.4 2,-0.3 -0.997 31.6-118.8-149.8 152.9 -84.6 -23.8 -46.7 10 10 A T E -A 32 0A 62 -2,-0.3 2,-0.4 22,-0.2 22,-0.2 -0.716 27.3-169.8 -85.9 139.9 -82.2 -26.6 -46.0 11 11 A E E -A 31 0A 34 20,-2.3 20,-2.3 -2,-0.3 2,-0.6 -0.994 12.0-147.0-126.2 138.8 -78.8 -26.4 -47.7 12 12 A H E -A 30 0A 89 -2,-0.4 18,-0.2 18,-0.2 -2,-0.0 -0.932 15.7-172.6-106.8 119.9 -76.3 -29.3 -47.7 13 13 A F E -A 29 0A 0 16,-2.9 16,-2.8 -2,-0.6 2,-0.2 -0.950 10.6-151.7-111.7 118.3 -72.6 -28.2 -47.6 14 14 A P E -A 28 0A 56 0, 0.0 313,-2.9 0, 0.0 314,-0.4 -0.641 23.4-118.3 -80.2 152.1 -69.8 -30.8 -48.0 15 15 A L E -C 326 0B 15 12,-1.4 311,-0.2 -2,-0.2 310,-0.1 -0.708 5.9-150.4 -86.1 139.9 -66.5 -30.0 -46.3 16 16 A T E S+ 0 0 98 309,-3.2 -1,-0.1 -2,-0.3 310,-0.1 0.712 97.6 35.3 -72.5 -20.8 -63.3 -29.6 -48.4 17 17 A R E S- 0 0 48 308,-0.6 -1,-0.2 -3,-0.0 308,-0.1 -0.711 78.3-156.5-137.8 88.4 -61.5 -30.9 -45.3 18 18 A P E - 0 0 74 0, 0.0 2,-0.3 0, 0.0 9,-0.2 -0.250 22.2-177.6 -59.4 152.7 -63.2 -33.5 -43.0 19 19 A Y E -A 26 0A 13 7,-1.9 7,-1.5 117,-0.1 2,-0.4 -0.960 22.5-120.3-152.3 161.3 -61.9 -33.5 -39.4 20 20 A R - 0 0 152 118,-0.3 118,-2.4 -2,-0.3 2,-0.3 -0.915 17.5-171.3-113.6 136.1 -62.2 -35.3 -36.0 21 21 A I > - 0 0 7 -2,-0.4 3,-2.6 116,-0.2 4,-0.4 -0.795 52.6 -70.6-113.8 160.0 -63.3 -33.9 -32.7 22 22 A A T 3 S- 0 0 22 141,-0.3 -1,-0.1 -2,-0.3 142,-0.1 -0.309 120.9 -6.7 -54.6 121.9 -63.0 -35.8 -29.4 23 23 A F T 3 S+ 0 0 114 1,-0.1 -1,-0.3 -2,-0.1 141,-0.0 0.399 130.5 69.7 75.2 -1.4 -65.7 -38.5 -29.6 24 24 A R < - 0 0 88 -3,-2.6 -2,-0.1 2,-0.0 -1,-0.1 0.892 59.4-162.7-119.3 -64.2 -67.2 -37.1 -32.9 25 25 A S - 0 0 43 -4,-0.4 2,-0.5 1,-0.1 -5,-0.3 0.996 16.0-152.4 67.4 81.7 -65.7 -37.0 -36.6 26 26 A I E +A 19 0A 14 -7,-1.5 -7,-1.9 1,-0.1 -1,-0.1 -0.738 26.0 164.9 -88.1 117.8 -67.4 -34.5 -39.1 27 27 A E E S- 0 0 119 -2,-0.5 -12,-1.4 1,-0.2 2,-0.3 0.593 70.1 -11.6 -98.6 -15.0 -67.5 -35.0 -43.0 28 28 A E E -A 14 0A 91 -14,-0.2 2,-0.3 -11,-0.1 -1,-0.2 -0.964 61.8-133.7-170.6 176.1 -70.2 -32.4 -44.0 29 29 A I E -A 13 0A 37 -16,-2.8 -16,-2.9 -2,-0.3 2,-0.4 -1.000 3.1-144.8-150.8 145.8 -72.8 -30.1 -42.6 30 30 A D E -A 12 0A 48 -2,-0.3 2,-0.3 -18,-0.2 -18,-0.2 -0.901 20.7-174.8-107.7 142.0 -76.4 -29.0 -43.1 31 31 A N E -A 11 0A 0 -20,-2.3 -20,-2.3 -2,-0.4 2,-0.5 -0.936 21.8-133.0-127.5 155.1 -77.6 -25.4 -42.5 32 32 A L E -AB 10 48A 0 16,-1.9 16,-2.5 -2,-0.3 2,-0.4 -0.934 22.1-152.9-105.5 134.3 -81.0 -23.8 -42.5 33 33 A I E -AB 9 47A 1 -24,-2.7 -24,-1.9 -2,-0.5 2,-0.4 -0.897 7.8-160.0-110.9 139.5 -81.1 -20.5 -44.4 34 34 A V E -AB 8 46A 0 12,-2.6 12,-2.0 -2,-0.4 2,-0.5 -0.973 7.1-168.6-129.5 127.3 -83.6 -17.8 -43.5 35 35 A E E -AB 7 45A 27 -28,-2.7 -28,-2.5 -2,-0.4 2,-0.6 -0.958 2.3-173.8-120.1 116.6 -84.8 -14.9 -45.6 36 36 A I E -AB 6 44A 0 8,-2.3 8,-3.3 -2,-0.5 2,-0.4 -0.936 8.6-165.2-109.5 117.0 -86.9 -12.1 -44.1 37 37 A R E -AB 5 43A 97 -32,-2.0 -33,-3.0 -2,-0.6 -32,-1.7 -0.833 10.2-139.5-104.3 144.4 -88.2 -9.5 -46.6 38 38 A T E > -A 3 0A 5 4,-2.4 3,-0.9 -2,-0.4 -35,-0.2 -0.337 28.6-108.4 -88.9 172.6 -89.6 -6.2 -45.6 39 39 A A T 3 S+ 0 0 70 -37,-1.5 -37,-0.1 -38,-0.9 -36,-0.1 0.787 120.5 55.5 -75.2 -23.1 -92.7 -4.6 -47.2 40 40 A D T 3 S- 0 0 144 -39,-0.4 -1,-0.2 -38,-0.2 -37,-0.1 0.419 126.4 -97.0 -87.0 -0.3 -90.3 -2.1 -48.8 41 41 A G S < S+ 0 0 51 -3,-0.9 -2,-0.1 1,-0.3 -1,-0.0 0.194 74.5 142.3 105.9 -17.0 -88.2 -4.8 -50.5 42 42 A L - 0 0 54 -5,-0.1 -4,-2.4 1,-0.1 2,-0.5 -0.205 38.8-141.8 -62.6 150.6 -85.3 -5.1 -48.0 43 43 A L E -B 37 0A 35 -6,-0.2 2,-0.4 66,-0.1 -6,-0.2 -0.961 12.4-167.6-122.9 119.1 -83.8 -8.5 -47.3 44 44 A G E -B 36 0A 0 -8,-3.3 -8,-2.3 -2,-0.5 2,-0.4 -0.861 12.3-155.6 -95.2 145.4 -82.5 -9.9 -44.0 45 45 A L E +B 35 0A 5 -2,-0.4 2,-0.3 -10,-0.2 -10,-0.2 -0.915 16.2 167.5-123.3 144.2 -80.5 -13.1 -43.9 46 46 A G E -B 34 0A 0 -12,-2.0 -12,-2.6 -2,-0.4 2,-0.3 -0.961 14.0-157.9-145.5 164.3 -79.9 -15.6 -41.2 47 47 A A E -B 33 0A 0 -2,-0.3 2,-0.4 -14,-0.2 -14,-0.2 -0.997 4.0-155.6-145.7 139.5 -78.4 -19.1 -40.9 48 48 A A E +B 32 0A 0 -16,-2.5 -16,-1.9 -2,-0.3 51,-0.1 -0.949 13.2 175.2-119.2 133.9 -78.9 -21.9 -38.3 49 49 A S - 0 0 2 -2,-0.4 -18,-0.1 -18,-0.2 2,-0.1 -0.739 23.1-154.7-133.7 86.3 -76.5 -24.7 -37.5 50 50 A P - 0 0 20 0, 0.0 2,-0.6 0, 0.0 -20,-0.1 -0.391 5.5-155.9 -70.8 138.1 -77.9 -26.6 -34.6 51 51 A E >>> - 0 0 16 217,-0.4 4,-2.8 1,-0.1 5,-0.5 -0.876 7.9-171.7-113.3 102.4 -75.5 -28.6 -32.4 52 52 A R H 3>5S+ 0 0 140 -2,-0.6 4,-1.7 1,-0.3 -1,-0.1 0.836 79.5 54.0 -71.1 -33.9 -77.5 -31.4 -30.7 53 53 A H H 345S+ 0 0 107 1,-0.2 -1,-0.3 2,-0.2 5,-0.1 0.828 119.1 35.0 -70.6 -32.1 -74.9 -32.6 -28.2 54 54 A V H <45S+ 0 0 28 -3,-0.5 -2,-0.2 3,-0.1 -1,-0.2 0.904 135.4 17.8 -82.9 -50.3 -74.4 -29.2 -26.8 55 55 A T H <5S- 0 0 27 -4,-2.8 -3,-0.2 2,-0.2 -2,-0.2 0.597 92.0-120.7-101.7 -10.3 -77.9 -27.6 -27.0 56 56 A G S < - 0 0 55 -2,-0.6 4,-2.3 -7,-0.1 5,-0.2 -0.500 32.3-110.6 -92.7 171.7 -81.6 -31.5 -33.6 59 59 A L H > S+ 0 0 63 1,-0.2 4,-2.9 2,-0.2 5,-0.2 0.922 120.1 51.1 -66.7 -41.5 -81.7 -30.6 -37.3 60 60 A E H > S+ 0 0 168 2,-0.2 4,-2.7 1,-0.2 -1,-0.2 0.929 111.5 45.7 -58.8 -48.6 -85.3 -31.9 -37.5 61 61 A A H > S+ 0 0 49 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.909 112.9 51.5 -64.2 -40.9 -86.4 -29.8 -34.4 62 62 A C H X S+ 0 0 0 -4,-2.3 4,-0.8 2,-0.2 -2,-0.2 0.941 111.7 45.9 -60.6 -49.8 -84.7 -26.7 -35.8 63 63 A H H >< S+ 0 0 77 -4,-2.9 3,-1.1 1,-0.2 4,-0.3 0.924 111.1 53.7 -58.9 -43.7 -86.4 -27.1 -39.1 64 64 A A H >< S+ 0 0 55 -4,-2.7 3,-1.3 1,-0.3 -1,-0.2 0.877 103.9 54.8 -61.0 -39.1 -89.7 -27.7 -37.4 65 65 A A H 3< S+ 0 0 15 -4,-2.3 -1,-0.3 1,-0.3 -2,-0.2 0.682 109.2 50.0 -68.4 -19.2 -89.3 -24.5 -35.4 66 66 A L T << S+ 0 0 1 -3,-1.1 -1,-0.3 -4,-0.8 -2,-0.2 0.303 77.6 135.6 -99.7 4.8 -88.9 -22.6 -38.7 67 67 A D X> - 0 0 75 -3,-1.3 3,-1.1 -4,-0.3 4,-0.8 -0.279 66.7-119.1 -52.8 141.5 -91.9 -24.1 -40.5 68 68 A H T 34 S+ 0 0 84 1,-0.3 3,-0.3 2,-0.2 -1,-0.1 0.777 112.8 55.0 -58.3 -27.8 -93.8 -21.4 -42.3 69 69 A D T >4 S+ 0 0 145 1,-0.2 3,-0.7 2,-0.2 -1,-0.3 0.788 103.8 52.7 -78.9 -27.5 -96.9 -22.0 -40.2 70 70 A R T <4 S+ 0 0 157 -3,-1.1 3,-0.3 1,-0.2 -1,-0.2 0.595 105.2 58.7 -81.0 -10.2 -95.1 -21.6 -36.9 71 71 A L T >X + 0 0 2 -4,-0.8 3,-1.7 -3,-0.3 4,-0.5 0.324 68.5 106.4 -99.2 5.2 -93.8 -18.2 -38.0 72 72 A G G X4 + 0 0 43 -3,-0.7 3,-0.9 1,-0.3 -1,-0.2 0.794 67.6 69.4 -57.6 -30.1 -97.1 -16.4 -38.7 73 73 A W G 34 S+ 0 0 36 -3,-0.3 -1,-0.3 1,-0.2 -2,-0.1 0.742 93.8 57.8 -63.3 -22.8 -96.9 -14.3 -35.6 74 74 A L G X4 S+ 0 0 0 -3,-1.7 3,-2.3 2,-0.1 -71,-0.3 0.754 78.1 108.6 -79.3 -28.4 -94.0 -12.3 -37.2 75 75 A M T << S+ 0 0 75 -3,-0.9 -71,-0.2 -4,-0.5 3,-0.1 -0.231 89.6 10.0 -52.6 135.2 -95.8 -11.1 -40.3 76 76 A G T 3 S+ 0 0 40 -73,-2.5 -1,-0.3 1,-0.2 2,-0.2 0.453 94.3 140.4 74.9 0.8 -96.6 -7.4 -40.2 77 77 A R < - 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