==== 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 04-AUG-06 2DW5 . COMPND 2 MOLECULE: PROTEIN-ARGININE DEIMINASE TYPE-4; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR Y.LUO,K.ARITA,M.SATO,P.R.THOMPSON . 626 6 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 28147.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 397 63.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 48 7.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 131 20.9 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 . 48 7.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 69 11.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 73 11.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 11 1.8 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 3 3 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 . 4 3 6 3 3 2 0 2 1 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 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 4 A G 0 0 88 0, 0.0 2,-0.3 0, 0.0 21,-0.2 0.000 360.0 360.0 360.0 133.6 -6.3 22.2 -27.6 2 5 A T E -a 22 0A 58 19,-1.5 21,-3.1 2,-0.0 2,-0.6 -0.990 360.0-159.7-141.9 137.2 -7.8 23.1 -31.0 3 6 A L E -a 23 0A 85 -2,-0.3 2,-0.5 19,-0.2 21,-0.2 -0.949 12.1-160.9-114.7 109.0 -10.9 22.0 -32.9 4 7 A I E -a 24 0A 25 19,-2.7 21,-3.2 -2,-0.6 2,-0.5 -0.815 10.6-144.7 -88.5 128.9 -10.7 22.5 -36.7 5 8 A R E -a 25 0A 157 -2,-0.5 2,-0.4 19,-0.2 21,-0.2 -0.869 14.4-152.6 -93.3 126.1 -14.2 22.5 -38.3 6 9 A V - 0 0 1 19,-2.2 23,-0.5 -2,-0.5 85,-0.1 -0.810 11.3-171.5-104.2 141.2 -14.1 21.0 -41.8 7 10 A T - 0 0 34 3,-0.5 83,-0.4 -2,-0.4 3,-0.3 -0.982 24.2-154.2-135.4 120.9 -16.5 22.0 -44.5 8 11 A P S S+ 0 0 37 0, 0.0 -1,-0.1 0, 0.0 80,-0.1 0.876 95.8 68.2 -61.0 -33.0 -17.0 20.3 -48.0 9 12 A E S S+ 0 0 184 20,-0.3 79,-0.0 1,-0.2 80,-0.0 0.938 117.7 5.3 -45.5 -53.1 -18.3 23.7 -49.2 10 13 A Q S S- 0 0 125 -3,-0.3 -3,-0.5 80,-0.0 -1,-0.2 -0.983 80.7-106.1-140.3 141.9 -14.9 25.3 -48.9 11 14 A P - 0 0 44 0, 0.0 2,-0.4 0, 0.0 80,-0.2 -0.281 34.2-138.3 -59.3 149.3 -11.3 24.2 -48.0 12 15 A T E -d 91 0B 31 78,-2.7 80,-3.0 2,-0.0 2,-0.4 -0.888 7.6-154.0-111.8 148.9 -9.9 25.1 -44.6 13 16 A H E +d 92 0B 130 -2,-0.4 2,-0.3 78,-0.2 80,-0.2 -0.983 21.4 170.5-116.5 128.5 -6.5 26.3 -43.8 14 17 A A E -d 93 0B 14 78,-2.2 80,-1.5 -2,-0.4 2,-0.4 -0.988 28.0-135.9-139.0 148.1 -5.0 25.8 -40.4 15 18 A V E -d 94 0B 34 -2,-0.3 2,-0.4 78,-0.2 80,-0.2 -0.816 19.0-159.6 -94.7 144.0 -1.7 26.2 -38.5 16 19 A C E -d 95 0B 6 78,-3.0 80,-2.4 -2,-0.4 2,-0.5 -0.967 6.0-151.2-127.5 114.4 -0.5 23.4 -36.2 17 20 A V E > -d 96 0B 11 -2,-0.4 3,-1.3 78,-0.2 80,-0.2 -0.759 31.0-113.9 -83.3 128.3 2.0 23.9 -33.5 18 21 A L T 3 S+ 0 0 42 78,-2.4 80,-0.3 -2,-0.5 3,-0.1 -0.415 101.9 35.4 -62.2 137.2 4.0 20.8 -32.8 19 22 A G T 3 S+ 0 0 90 1,-0.4 2,-0.2 44,-0.2 -1,-0.2 0.343 98.3 110.3 93.3 2.8 3.3 19.4 -29.3 20 23 A T S < S- 0 0 43 -3,-1.3 2,-0.6 -19,-0.0 -1,-0.4 -0.693 72.3-116.1-109.3 157.6 -0.3 20.5 -29.4 21 24 A L - 0 0 79 -2,-0.2 -19,-1.5 -3,-0.1 2,-0.5 -0.860 31.1-174.1 -94.7 118.3 -3.5 18.5 -29.7 22 25 A T E -aB 2 61A 7 39,-0.8 39,-2.6 -2,-0.6 2,-0.3 -0.974 5.1-177.7-113.9 129.4 -5.4 19.2 -32.9 23 26 A Q E -aB 3 60A 53 -21,-3.1 -19,-2.7 -2,-0.5 2,-0.4 -0.858 17.4-128.4-124.2 159.8 -8.8 17.6 -33.3 24 27 A L E -aB 4 59A 12 35,-2.5 2,-0.7 -2,-0.3 35,-0.5 -0.916 3.0-152.4-112.3 137.8 -11.3 17.6 -36.2 25 28 A D E +a 5 0A 24 -21,-3.2 -19,-2.2 -2,-0.4 4,-0.2 -0.925 29.5 159.8 -99.4 106.0 -15.0 18.4 -36.3 26 29 A I + 0 0 7 -2,-0.7 -1,-0.1 -21,-0.2 -21,-0.1 0.668 65.1 53.7 -99.8 -20.3 -16.2 16.3 -39.2 27 30 A C S > S+ 0 0 25 2,-0.1 3,-3.1 -3,-0.1 -2,-0.1 0.949 86.4 72.2 -86.6 -49.4 -19.8 16.2 -38.3 28 31 A S T 3 S+ 0 0 84 1,-0.3 -1,-0.1 27,-0.1 -2,-0.1 0.790 115.4 23.7 -37.0 -56.0 -21.0 19.8 -37.9 29 32 A S T 3 S+ 0 0 53 -23,-0.5 -1,-0.3 -4,-0.2 -20,-0.3 0.045 91.0 135.7-104.7 26.0 -20.9 20.7 -41.6 30 33 A A < - 0 0 24 -3,-3.1 -3,-0.1 -23,-0.1 -23,-0.0 -0.397 49.5-126.0 -68.7 148.2 -21.2 17.1 -43.0 31 34 A P 0 0 48 0, 0.0 -1,-0.1 0, 0.0 49,-0.1 -0.010 360.0 360.0 -79.9-170.8 -23.6 16.7 -46.0 32 35 A E 0 0 181 47,-0.1 -2,-0.0 2,-0.0 52,-0.0 0.212 360.0 360.0-149.2 360.0 -26.6 14.3 -46.5 33 ! 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 34 38 A T 0 0 74 0, 0.0 19,-2.1 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0-103.7 -23.8 8.6 -42.8 35 39 A S E -EF 52 80B 39 45,-1.9 45,-3.7 17,-0.3 2,-0.3 -0.986 360.0-174.9-136.8 151.3 -20.2 7.5 -43.4 36 40 A F E -EF 51 79B 2 15,-3.1 15,-1.8 -2,-0.3 2,-0.3 -0.968 7.9-157.9-138.8 158.8 -16.8 9.2 -43.8 37 41 A S E - F 0 78B 27 41,-2.7 41,-3.3 -2,-0.3 2,-0.5 -0.938 11.8-141.2-133.6 157.8 -13.2 8.3 -44.6 38 42 A I E + F 0 77B 35 -2,-0.3 2,-0.4 39,-0.2 39,-0.2 -0.955 18.4 174.0-130.8 112.6 -9.9 10.1 -43.9 39 43 A N E + F 0 76B 103 37,-3.0 37,-3.3 -2,-0.5 2,-0.3 -0.972 12.8 171.7-117.8 134.0 -7.0 10.3 -46.2 40 44 A A E - F 0 75B 29 -2,-0.4 35,-0.2 35,-0.2 6,-0.1 -0.983 36.4 -95.4-142.4 152.4 -4.0 12.4 -45.3 41 45 A S > - 0 0 28 33,-2.2 3,-2.6 -2,-0.3 32,-0.0 -0.215 48.2-100.6 -64.8 155.2 -0.5 13.1 -46.5 42 46 A P T 3 S+ 0 0 137 0, 0.0 -1,-0.1 0, 0.0 31,-0.1 0.615 117.6 65.6 -64.0 -13.7 2.4 11.2 -44.9 43 47 A G T 3 S+ 0 0 23 31,-0.1 21,-1.3 20,-0.1 2,-0.5 0.643 93.4 74.9 -75.0 -15.2 3.4 14.0 -42.6 44 48 A V E < -C 63 0A 12 -3,-2.6 2,-0.6 19,-0.2 19,-0.2 -0.870 63.7-160.3-106.8 128.0 0.1 13.8 -40.7 45 49 A V E -C 62 0A 55 17,-3.2 17,-1.9 -2,-0.5 2,-0.4 -0.933 11.2-165.5-105.6 110.4 -0.9 11.0 -38.3 46 50 A V E -C 61 0A 38 -2,-0.6 2,-0.4 15,-0.2 15,-0.2 -0.804 2.1-166.3 -91.1 134.9 -4.7 10.7 -37.8 47 51 A D E C 60 0A 80 13,-2.0 13,-2.8 -2,-0.4 -2,-0.0 -0.989 360.0 360.0-123.2 136.2 -5.9 8.7 -34.8 48 52 A I 0 0 60 -2,-0.4 10,-0.2 11,-0.2 -1,-0.1 0.245 360.0 360.0-154.5 360.0 -9.6 7.8 -34.8 49 ! 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 50 67 A T 0 0 115 0, 0.0 -13,-0.2 0, 0.0 -15,-0.0 0.000 360.0 360.0 360.0 6.1 -14.7 3.1 -43.1 51 68 A W E -E 36 0B 92 -15,-1.8 -15,-3.1 -3,-0.0 2,-0.1 -0.981 360.0-118.8-133.7 148.8 -16.1 5.2 -40.2 52 69 A P E -E 35 0B 71 0, 0.0 2,-1.4 0, 0.0 -17,-0.3 -0.427 28.6-110.0 -87.2 161.9 -19.6 6.3 -39.3 53 70 A L + 0 0 32 -19,-2.1 -18,-0.1 -2,-0.1 3,-0.1 -0.344 62.0 146.3 -89.8 56.8 -20.7 9.9 -39.0 54 71 A D > - 0 0 87 -2,-1.4 3,-1.8 1,-0.1 -27,-0.1 -0.847 44.8-146.4 -96.1 120.1 -21.2 9.9 -35.2 55 72 A P T 3 S+ 0 0 103 0, 0.0 -1,-0.1 0, 0.0 -28,-0.1 0.835 94.8 61.7 -50.9 -40.8 -20.3 13.3 -33.5 56 73 A G T 3 S+ 0 0 57 2,-0.1 2,-0.5 -3,-0.1 -3,-0.0 0.607 81.7 93.4 -68.7 -15.0 -19.0 11.5 -30.3 57 74 A V S < S- 0 0 44 -3,-1.8 2,-0.2 -5,-0.1 -9,-0.0 -0.741 73.5-137.3 -85.9 125.9 -16.2 9.7 -32.2 58 75 A E - 0 0 134 -2,-0.5 2,-0.5 -10,-0.2 -33,-0.1 -0.536 15.7-163.7 -95.8 140.5 -13.0 11.7 -32.1 59 76 A V E -B 24 0A 3 -35,-0.5 -35,-2.5 -2,-0.2 2,-0.3 -0.989 12.7-170.4-122.6 119.2 -10.5 12.4 -34.9 60 77 A T E -BC 23 47A 35 -13,-2.8 -13,-2.0 -2,-0.5 2,-0.4 -0.847 6.2-158.1-116.4 146.9 -7.0 13.7 -33.8 61 78 A L E +BC 22 46A 1 -39,-2.6 -39,-0.8 -2,-0.3 2,-0.4 -0.993 10.9 179.6-130.4 127.1 -4.3 15.0 -36.1 62 79 A T E - C 0 45A 56 -17,-1.9 -17,-3.2 -2,-0.4 2,-0.3 -0.992 14.1-150.3-133.3 135.8 -0.6 15.1 -35.1 63 80 A M E - C 0 44A 20 -2,-0.4 -44,-0.2 -19,-0.2 -19,-0.2 -0.821 3.9-162.3-100.8 146.3 2.3 16.4 -37.2 64 81 A K S S+ 0 0 182 -21,-1.3 2,-0.3 -2,-0.3 -1,-0.1 0.794 72.1 28.8 -96.7 -33.1 5.8 14.9 -36.9 65 82 A A S S- 0 0 66 -22,-0.3 -1,-0.2 1,-0.0 30,-0.2 -0.959 84.1 -98.8-131.4 146.4 7.8 17.7 -38.6 66 83 A A - 0 0 19 -2,-0.3 30,-0.2 1,-0.1 98,-0.1 -0.211 50.4-102.7 -46.4 145.5 7.6 21.5 -39.2 67 84 A S - 0 0 7 28,-3.1 3,-0.1 96,-0.2 -1,-0.1 -0.413 14.0-152.2 -74.1 151.3 6.4 22.5 -42.7 68 85 A G S S+ 0 0 61 1,-0.3 98,-0.5 -2,-0.1 2,-0.3 0.643 84.3 7.6 -92.9 -27.2 8.7 23.6 -45.5 69 86 A S S > S- 0 0 62 96,-0.1 3,-2.0 97,-0.1 -1,-0.3 -0.993 96.0 -73.3-149.7 159.9 5.8 25.7 -46.9 70 87 A T T 3 S+ 0 0 78 -2,-0.3 24,-0.2 1,-0.3 23,-0.1 -0.157 114.9 0.1 -46.8 135.9 2.3 26.8 -46.2 71 88 A G T 3 S+ 0 0 15 -57,-0.2 -1,-0.3 21,-0.2 22,-0.3 0.669 83.2 144.4 54.0 22.6 -0.3 24.1 -46.5 72 89 A D < + 0 0 55 -3,-2.0 2,-0.3 20,-0.1 22,-0.1 0.393 60.0 62.5 -75.3 2.2 2.4 21.5 -47.4 73 90 A Q E S- G 0 93B 36 20,-1.5 20,-2.2 -4,-0.1 2,-0.4 -0.952 76.1-157.6-119.5 148.0 0.4 18.8 -45.5 74 91 A K E - G 0 92B 119 -2,-0.3 -33,-2.2 18,-0.2 2,-0.4 -0.961 14.5-166.8-130.0 144.9 -3.1 17.8 -46.6 75 92 A V E -FG 40 91B 1 16,-2.7 16,-3.4 -2,-0.4 2,-0.5 -0.997 8.8-170.6-127.4 134.1 -6.1 16.2 -45.1 76 93 A Q E -FG 39 90B 58 -37,-3.3 -37,-3.0 -2,-0.4 2,-0.5 -0.991 4.1-163.2-128.2 123.6 -9.0 15.0 -47.2 77 94 A I E -FG 38 89B 0 12,-2.7 12,-2.5 -2,-0.5 2,-0.6 -0.927 6.1-157.1-111.1 125.8 -12.2 13.8 -45.6 78 95 A S E -FG 37 88B 20 -41,-3.3 -41,-2.7 -2,-0.5 2,-0.4 -0.922 4.7-165.0-108.3 112.0 -14.5 11.7 -47.8 79 96 A Y E +FG 36 87B 4 8,-3.2 8,-2.8 -2,-0.6 2,-0.3 -0.818 22.2 159.3 -90.6 133.4 -18.2 11.7 -46.8 80 97 A Y E -F 35 0B 71 -45,-3.7 -45,-1.9 -2,-0.4 -2,-0.0 -0.979 18.6-176.3-150.4 164.7 -20.3 9.0 -48.4 81 98 A G E > - 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