==== 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 HYDROLASE 18-FEB-06 2DEX . COMPND 2 MOLECULE: PROTEIN-ARGININE DEIMINASE TYPE IV; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR K.ARITA,T.SHIMIZU,H.HASHIMOTO,Y.HIDAKA,M.YAMADA,M.SATO . 632 6 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 27600.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 415 65.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 47 7.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 133 21.0 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 1 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 9 1.4 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 . 61 9.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 72 11.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 75 11.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 11 1.7 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 2 0 1 0 0 1 1 0 0 2 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 0 1 4 2 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 . 5 3 6 2 4 2 0 3 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 3 5 2 2 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 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 4 X G 0 0 93 0, 0.0 2,-0.4 0, 0.0 21,-0.2 0.000 360.0 360.0 360.0 136.2 -5.8 22.3 -27.9 2 5 X T E -a 22 0A 68 19,-2.2 21,-3.4 2,-0.0 2,-0.6 -0.998 360.0-158.5-137.2 140.4 -7.4 23.3 -31.3 3 6 X L E -a 23 0A 101 -2,-0.4 2,-0.4 19,-0.2 21,-0.2 -0.949 15.3-157.5-117.8 107.2 -10.5 22.1 -33.1 4 7 X I E -a 24 0A 18 19,-3.1 21,-3.0 -2,-0.6 2,-0.7 -0.740 8.9-142.2 -90.5 130.0 -10.4 22.8 -36.9 5 8 X R E -a 25 0A 149 -2,-0.4 2,-0.3 19,-0.2 21,-0.1 -0.833 17.7-158.8 -95.9 114.6 -13.7 23.0 -38.7 6 9 X V - 0 0 1 19,-1.8 23,-0.4 -2,-0.7 84,-0.1 -0.714 8.7-170.3 -97.4 147.8 -13.5 21.5 -42.1 7 10 X T - 0 0 37 3,-0.6 82,-0.5 -2,-0.3 23,-0.1 -0.996 29.6-147.3-140.7 133.1 -16.0 22.3 -44.9 8 11 X P S S+ 0 0 39 0, 0.0 79,-0.1 0, 0.0 -1,-0.1 0.787 101.3 58.8 -69.6 -23.6 -16.7 20.9 -48.4 9 12 X E S S+ 0 0 164 20,-0.2 79,-0.0 1,-0.2 -2,-0.0 0.970 117.6 19.3 -66.1 -53.0 -17.7 24.4 -49.6 10 13 X Q S S- 0 0 132 79,-0.0 -3,-0.6 78,-0.0 2,-0.3 -0.921 77.3-122.5-120.3 140.9 -14.3 26.0 -48.8 11 14 X P - 0 0 55 0, 0.0 2,-0.3 0, 0.0 79,-0.2 -0.625 33.9-137.4 -73.3 140.4 -10.8 24.6 -48.2 12 15 X T E -d 90 0B 33 77,-2.4 79,-2.8 -2,-0.3 2,-0.4 -0.782 9.9-153.2-103.7 148.2 -9.5 25.7 -44.9 13 16 X H E +d 91 0B 138 -2,-0.3 2,-0.3 77,-0.2 79,-0.2 -0.951 23.1 164.9-115.2 138.1 -6.0 26.8 -44.0 14 17 X A E -d 92 0B 24 77,-2.1 79,-1.7 -2,-0.4 2,-0.3 -0.996 30.9-131.2-153.8 150.3 -4.4 26.4 -40.6 15 18 X V E -d 93 0B 29 -2,-0.3 2,-0.4 77,-0.2 79,-0.2 -0.807 18.2-160.7 -99.2 143.8 -1.2 26.5 -38.7 16 19 X C E -d 94 0B 7 77,-2.5 79,-2.4 -2,-0.3 2,-0.5 -0.982 7.5-149.3-127.7 118.6 -0.1 23.6 -36.3 17 20 X V E > -d 95 0B 10 -2,-0.4 3,-1.6 77,-0.2 79,-0.2 -0.752 31.6-110.1 -85.3 128.0 2.5 24.2 -33.6 18 21 X L T 3 S+ 0 0 47 77,-2.7 79,-0.3 -2,-0.5 3,-0.1 -0.338 104.1 32.3 -58.3 134.8 4.4 21.0 -32.9 19 22 X G T 3 S+ 0 0 88 1,-0.4 -1,-0.2 43,-0.2 2,-0.2 0.354 97.7 110.1 98.1 -1.0 3.6 19.6 -29.4 20 23 X T S < S- 0 0 46 -3,-1.6 2,-0.5 -19,-0.0 -1,-0.4 -0.625 71.6-114.6-103.1 159.9 0.1 20.8 -29.6 21 24 X L - 0 0 81 -2,-0.2 -19,-2.2 -3,-0.1 2,-0.5 -0.875 31.1-172.8 -98.7 124.1 -3.2 18.8 -29.9 22 25 X T E -aB 2 60A 9 38,-0.7 38,-2.5 -2,-0.5 2,-0.3 -0.979 3.5-178.8-121.4 124.2 -5.1 19.3 -33.1 23 26 X Q E -aB 3 59A 36 -21,-3.4 -19,-3.1 -2,-0.5 2,-0.4 -0.859 17.6-134.8-115.9 156.8 -8.6 17.8 -33.7 24 27 X L E -aB 4 58A 8 34,-2.7 2,-0.7 -2,-0.3 34,-0.6 -0.892 3.2-146.8-108.9 140.8 -10.9 18.0 -36.6 25 28 X D E +a 5 0A 25 -21,-3.0 -19,-1.8 -2,-0.4 4,-0.2 -0.937 29.2 164.1 -98.0 108.0 -14.6 18.7 -36.6 26 29 X I + 0 0 5 -2,-0.7 3,-0.2 30,-0.3 -1,-0.2 0.781 65.6 50.5 -92.2 -32.4 -15.8 16.6 -39.6 27 30 X C S > S+ 0 0 29 1,-0.2 3,-2.9 -3,-0.1 -2,-0.1 0.938 87.0 72.6 -81.0 -50.2 -19.5 16.5 -38.8 28 31 X S T 3 S+ 0 0 86 1,-0.3 -1,-0.2 26,-0.1 -2,-0.1 0.724 115.1 23.9 -44.1 -38.2 -20.7 20.1 -38.2 29 32 X S T 3 S+ 0 0 54 -23,-0.4 -1,-0.3 -4,-0.2 -20,-0.2 0.036 92.0 132.0-119.2 27.9 -20.5 21.1 -41.9 30 33 X A < 0 0 30 -3,-2.9 -3,-0.1 -23,-0.1 -23,-0.0 -0.387 360.0 360.0 -76.9 154.0 -20.7 17.7 -43.6 31 34 X P 0 0 106 0, 0.0 -1,-0.1 0, 0.0 -4,-0.1 0.495 360.0 360.0 -79.7 360.0 -23.1 17.1 -46.6 32 ! 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 33 38 X T 0 0 113 0, 0.0 19,-2.9 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0 -34.9 -23.5 9.1 -44.0 34 39 X S E -EF 51 79B 29 45,-2.7 45,-3.1 17,-0.3 2,-0.3 -0.848 360.0-163.1-135.1 169.5 -19.7 8.2 -43.9 35 40 X F E -EF 50 78B 0 15,-2.3 15,-1.9 43,-0.3 2,-0.3 -0.981 5.0-156.5-149.3 160.4 -16.3 9.7 -44.4 36 41 X S E - F 0 77B 26 41,-2.5 41,-2.1 -2,-0.3 2,-0.4 -0.957 13.1-140.9-134.7 158.2 -12.7 8.8 -45.0 37 42 X I E + F 0 76B 39 -2,-0.3 2,-0.4 39,-0.2 39,-0.2 -0.976 17.2 175.4-125.4 135.3 -9.5 10.6 -44.4 38 43 X N E + F 0 75B 106 37,-2.4 37,-3.5 -2,-0.4 2,-0.3 -0.999 11.5 172.6-135.0 133.1 -6.3 10.8 -46.4 39 44 X A E - F 0 74B 30 -2,-0.4 35,-0.2 35,-0.2 6,-0.1 -0.907 36.1 -90.0-138.3 165.4 -3.3 13.0 -45.6 40 45 X S > - 0 0 22 33,-2.2 3,-2.6 -2,-0.3 32,-0.0 -0.346 49.0-100.1 -74.3 157.0 0.2 13.6 -46.7 41 46 X P T 3 S+ 0 0 121 0, 0.0 -1,-0.1 0, 0.0 31,-0.1 0.748 120.1 63.0 -53.0 -28.2 3.1 11.6 -45.1 42 47 X G T 3 S+ 0 0 17 29,-0.1 21,-1.8 20,-0.1 2,-0.5 0.645 94.0 73.5 -72.0 -16.2 4.0 14.5 -42.8 43 48 X V E < -C 62 0A 11 -3,-2.6 2,-0.6 19,-0.2 19,-0.2 -0.894 66.2-159.3-101.9 124.3 0.5 14.3 -41.1 44 49 X V E -C 61 0A 55 17,-4.0 17,-2.7 -2,-0.5 2,-0.7 -0.928 10.6-165.2 -99.1 118.7 -0.3 11.4 -38.7 45 50 X V E -C 60 0A 34 -2,-0.6 2,-0.4 15,-0.2 15,-0.2 -0.921 5.2-173.3-108.6 110.3 -4.1 11.1 -38.4 46 51 X D E C 59 0A 120 13,-2.1 13,-2.4 -2,-0.7 -2,-0.0 -0.886 360.0 360.0-106.5 141.6 -5.2 8.9 -35.5 47 52 X I 0 0 64 -2,-0.4 10,-0.2 11,-0.2 -1,-0.1 0.224 360.0 360.0-159.5 360.0 -8.9 8.1 -35.2 48 ! 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 49 67 X T 0 0 127 0, 0.0 -13,-0.2 0, 0.0 -15,-0.0 0.000 360.0 360.0 360.0 -27.7 -13.9 3.6 -43.1 50 68 X W E -E 35 0B 95 -15,-1.9 -15,-2.3 6,-0.0 2,-0.2 -0.837 360.0-115.0-123.1 151.8 -15.8 5.6 -40.5 51 69 X P E -E 34 0B 77 0, 0.0 2,-2.1 0, 0.0 -17,-0.3 -0.523 32.6-115.3 -79.8 151.0 -19.4 6.8 -39.8 52 70 X L + 0 0 39 -19,-2.9 -18,-0.1 -2,-0.2 -22,-0.0 -0.441 66.8 143.5 -82.9 65.3 -20.3 10.5 -39.9 53 71 X D > - 0 0 89 -2,-2.1 3,-1.6 1,-0.1 -27,-0.1 -0.904 57.6-128.3-116.5 136.3 -21.0 10.5 -36.2 54 72 X P T 3 S+ 0 0 112 0, 0.0 -27,-0.1 0, 0.0 -28,-0.1 0.724 103.2 61.1 -58.5 -28.8 -20.2 13.4 -33.8 55 73 X G T 3 S+ 0 0 61 2,-0.1 2,-0.9 -3,-0.0 -3,-0.0 0.149 73.3 114.3 -86.0 19.2 -18.4 11.3 -31.2 56 74 X V < - 0 0 30 -3,-1.6 2,-0.6 -5,-0.1 -30,-0.3 -0.824 59.8-148.7 -92.7 106.3 -15.7 10.3 -33.7 57 75 X E - 0 0 128 -2,-0.9 2,-0.6 -10,-0.2 -32,-0.1 -0.671 16.1-175.8 -81.4 115.7 -12.4 11.9 -32.5 58 76 X V E -B 24 0A 0 -2,-0.6 -34,-2.7 -34,-0.6 2,-0.4 -0.956 5.4-177.5-115.2 111.8 -10.1 12.7 -35.3 59 77 X T E -BC 23 46A 33 -13,-2.4 -13,-2.1 -2,-0.6 2,-0.4 -0.919 12.4-150.9-115.6 132.7 -6.7 14.1 -34.2 60 78 X L E -BC 22 45A 4 -38,-2.5 -38,-0.7 -2,-0.4 2,-0.4 -0.850 10.8-172.6-104.5 137.1 -3.9 15.3 -36.5 61 79 X T E - C 0 44A 74 -17,-2.7 -17,-4.0 -2,-0.4 2,-0.4 -0.992 8.9-153.2-128.0 137.0 -0.2 15.1 -35.5 62 80 X M E - C 0 43A 18 -2,-0.4 -43,-0.2 -19,-0.2 -19,-0.2 -0.931 4.5-157.6-117.1 136.6 2.6 16.6 -37.5 63 81 X K + 0 0 146 -21,-1.8 2,-0.3 -2,-0.4 -1,-0.1 0.927 69.5 8.9 -80.9 -48.1 6.1 15.2 -37.5 64 82 X A S S- 0 0 59 -22,-0.3 30,-0.2 1,-0.1 -1,-0.1 -0.856 84.3 -81.9-133.7 166.0 8.2 18.2 -38.6 65 83 X A - 0 0 14 -2,-0.3 30,-0.2 1,-0.1 2,-0.1 -0.308 54.5-102.2 -61.8 146.3 8.1 22.0 -39.3 66 84 X S - 0 0 5 28,-3.3 3,-0.1 96,-0.2 -1,-0.1 -0.457 17.4-157.1 -72.8 143.2 6.8 23.0 -42.7 67 85 X G S S+ 0 0 52 1,-0.3 98,-0.6 -2,-0.1 2,-0.3 0.716 86.3 19.0 -85.7 -29.8 9.3 24.0 -45.5 68 86 X S S > S- 0 0 74 96,-0.2 3,-1.6 97,-0.1 -1,-0.3 -0.977 97.1 -91.5-135.4 157.5 6.5 25.9 -47.2 69 87 X T T 3 S+ 0 0 74 -2,-0.3 24,-0.2 1,-0.3 23,-0.1 -0.419 111.9 9.0 -68.9 135.2 3.1 27.2 -46.1 70 88 X G T 3 S+ 0 0 14 -56,-0.2 -1,-0.3 -2,-0.1 23,-0.2 0.709 83.4 140.5 70.0 21.8 0.3 24.6 -46.7 71 89 X D < + 0 0 61 -3,-1.6 2,-0.4 20,-0.1 22,-0.2 0.482 58.9 62.1 -79.1 -2.4 2.9 22.0 -47.6 72 90 X Q E S- G 0 92B 36 20,-1.8 20,-2.9 -4,-0.1 2,-0.3 -0.948 72.4-165.5-118.3 145.4 0.9 19.3 -45.7 73 91 X K E - G 0 91B 103 -2,-0.4 -33,-2.2 18,-0.2 2,-0.4 -0.957 16.6-164.1-133.4 151.3 -2.7 18.4 -46.7 74 92 X V E -FG 39 90B 1 16,-2.2 16,-2.5 -2,-0.3 2,-0.5 -1.000 9.3-165.4-131.2 128.7 -5.7 16.5 -45.4 75 93 X Q E -FG 38 89B 69 -37,-3.5 -37,-2.4 -2,-0.4 2,-0.7 -0.977 0.8-166.1-117.8 119.9 -8.5 15.4 -47.6 76 94 X I E -FG 37 88B 0 12,-2.6 12,-2.0 -2,-0.5 2,-0.7 -0.942 7.0-163.5-105.9 112.7 -11.7 14.3 -46.0 77 95 X S E -FG 36 87B 23 -41,-2.1 -41,-2.5 -2,-0.7 2,-0.3 -0.892 4.4-158.4 -99.8 117.5 -13.9 12.6 -48.5 78 96 X Y E +FG 35 86B 5 8,-3.6 8,-2.2 -2,-0.7 2,-0.3 -0.660 20.6 169.4 -87.0 149.0 -17.5 12.3 -47.4 79 97 X Y E -F 34 0B 81 -45,-3.1 -45,-2.7 -2,-0.3 3,-0.0 -0.993 18.8-173.6-157.5 167.8 -19.7 9.6 -48.9 80 98 X G E > - 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