==== 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 2DEW . 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 . 634 6 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 27077.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 417 65.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 48 7.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 132 20.8 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 . 8 1.3 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 . 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 . 56 8.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 74 11.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 76 12.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 10 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 1 0 2 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 . 3 5 5 2 4 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 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 3 X Q 0 0 139 0, 0.0 21,-1.4 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0 43.6 -3.6 24.4 -25.8 2 4 X G E -a 22 0A 54 19,-0.2 2,-0.4 21,-0.1 21,-0.2 -0.721 360.0-166.1 -91.4 143.5 -6.4 22.5 -27.6 3 5 X T E -a 23 0A 62 19,-2.3 21,-3.2 -2,-0.3 2,-0.6 -0.997 7.7-163.5-132.0 132.8 -7.6 23.5 -31.1 4 6 X L E -a 24 0A 95 -2,-0.4 2,-0.4 19,-0.2 21,-0.2 -0.951 12.5-159.1-115.6 109.5 -10.7 22.3 -32.9 5 7 X I E -a 25 0A 15 19,-3.0 21,-3.4 -2,-0.6 2,-0.7 -0.775 9.8-140.7 -93.6 129.4 -10.7 22.9 -36.6 6 8 X R E -a 26 0A 144 -2,-0.4 2,-0.3 19,-0.2 21,-0.2 -0.823 16.1-158.2 -90.5 117.0 -14.0 23.0 -38.5 7 9 X V - 0 0 0 19,-2.1 23,-0.5 -2,-0.7 85,-0.1 -0.762 10.8-172.8 -95.9 143.4 -13.8 21.4 -41.8 8 10 X T > - 0 0 30 3,-0.5 3,-0.5 -2,-0.3 83,-0.5 -0.998 29.7-149.2-139.9 131.2 -16.3 22.3 -44.5 9 11 X P T 3 S+ 0 0 43 0, 0.0 80,-0.1 0, 0.0 -1,-0.1 0.718 95.5 72.7 -72.3 -17.4 -17.1 20.9 -48.0 10 12 X E T 3 S- 0 0 178 1,-0.2 80,-0.0 20,-0.2 0, 0.0 0.886 117.2 -9.6 -60.6 -39.2 -18.2 24.3 -49.1 11 13 X Q S < S- 0 0 128 -3,-0.5 -3,-0.5 80,-0.1 -1,-0.2 -0.990 79.7 -89.8-158.8 152.5 -14.6 25.6 -49.1 12 14 X P - 0 0 60 0, 0.0 2,-0.3 0, 0.0 80,-0.2 -0.338 37.8-137.8 -62.6 141.7 -11.1 24.6 -48.1 13 15 X T E -d 92 0B 30 78,-2.4 80,-2.9 -5,-0.1 2,-0.4 -0.798 10.9-157.0 -97.6 144.4 -9.9 25.5 -44.6 14 16 X H E +d 93 0B 129 -2,-0.3 2,-0.3 78,-0.2 80,-0.2 -0.985 22.8 160.0-121.3 135.7 -6.4 26.9 -43.9 15 17 X A E -d 94 0B 24 78,-2.2 80,-1.6 -2,-0.4 2,-0.4 -0.998 34.1-126.9-156.1 151.3 -4.8 26.6 -40.5 16 18 X V E -d 95 0B 40 -2,-0.3 2,-0.5 78,-0.2 80,-0.2 -0.797 18.3-160.4 -98.2 140.7 -1.6 26.7 -38.6 17 19 X C E -d 96 0B 7 78,-2.3 80,-2.2 -2,-0.4 2,-0.5 -0.979 7.7-150.0-122.2 116.8 -0.5 23.9 -36.2 18 20 X V E > -d 97 0B 9 -2,-0.5 3,-1.5 78,-0.2 80,-0.2 -0.767 32.2-110.7 -84.2 127.1 2.1 24.5 -33.5 19 21 X L T 3 S+ 0 0 52 78,-2.4 80,-0.3 -2,-0.5 3,-0.1 -0.300 102.0 32.2 -56.8 137.9 4.0 21.3 -32.8 20 22 X G T 3 S+ 0 0 83 1,-0.4 -1,-0.2 44,-0.2 2,-0.2 0.422 98.0 105.7 90.6 1.8 3.3 19.9 -29.4 21 23 X T S < S- 0 0 30 -3,-1.5 2,-0.6 -19,-0.0 -1,-0.4 -0.693 75.6-105.9-106.1 165.5 -0.3 21.1 -29.3 22 24 X L E -a 2 0A 71 -21,-1.4 -19,-2.3 -2,-0.2 2,-0.5 -0.825 33.9-174.7 -94.4 121.0 -3.5 19.2 -29.7 23 25 X T E +aB 3 62A 7 39,-0.8 39,-2.9 -2,-0.6 2,-0.3 -0.968 6.7 175.3-116.9 125.4 -5.3 19.6 -32.9 24 26 X Q E -aB 4 61A 42 -21,-3.2 -19,-3.0 -2,-0.5 2,-0.5 -0.849 22.0-124.9-125.0 166.4 -8.7 18.0 -33.5 25 27 X L E -a 5 0A 11 35,-2.2 2,-0.9 -2,-0.3 35,-0.4 -0.936 1.9-151.2-118.5 127.5 -11.2 18.1 -36.3 26 28 X D E +a 6 0A 31 -21,-3.4 -19,-2.1 -2,-0.5 4,-0.2 -0.861 31.1 160.4 -88.7 103.1 -14.9 19.0 -36.3 27 29 X I + 0 0 6 -2,-0.9 -1,-0.2 31,-0.2 -21,-0.1 0.672 65.3 51.1 -95.8 -22.4 -16.0 16.8 -39.2 28 30 X C S > S+ 0 0 25 -3,-0.2 3,-2.8 28,-0.1 -2,-0.1 0.938 86.1 75.1 -88.1 -49.0 -19.7 16.7 -38.4 29 31 X S T 3 S+ 0 0 80 1,-0.3 -1,-0.1 27,-0.1 -2,-0.1 0.759 114.7 21.3 -33.3 -52.5 -20.9 20.3 -37.9 30 32 X S T 3 S+ 0 0 54 -23,-0.5 -1,-0.3 -4,-0.2 -20,-0.2 -0.062 92.6 133.3-116.0 30.1 -20.9 21.2 -41.6 31 33 X A < 0 0 28 -3,-2.8 -3,-0.1 -23,-0.1 -23,-0.0 -0.343 360.0 360.0 -74.1 160.2 -21.1 17.7 -43.2 32 34 X P 0 0 84 0, 0.0 -1,-0.1 0, 0.0 -4,-0.1 0.298 360.0 360.0 -76.0 360.0 -23.6 16.9 -46.0 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 37 X C 0 0 48 0, 0.0 48,-0.3 0, 0.0 3,-0.1 0.000 360.0 360.0 360.0 141.3 -24.0 11.3 -46.1 35 38 X T + 0 0 81 46,-1.2 19,-3.9 1,-0.1 2,-0.2 0.696 360.0 35.4-108.8 -37.0 -23.5 8.6 -43.4 36 39 X S E -EF 53 81B 31 45,-2.6 45,-2.3 17,-0.3 2,-0.3 -0.680 58.5-160.3-120.0 170.3 -19.8 7.9 -43.4 37 40 X F E -EF 52 80B 0 15,-2.6 15,-1.9 43,-0.2 2,-0.3 -0.990 2.6-159.0-150.0 149.8 -16.5 9.6 -43.8 38 41 X S E - F 0 79B 24 41,-2.7 41,-2.5 -2,-0.3 2,-0.4 -0.902 12.0-144.6-122.1 156.7 -12.9 8.7 -44.6 39 42 X I E + F 0 78B 32 -2,-0.3 2,-0.4 39,-0.2 39,-0.2 -0.985 14.6 179.6-125.1 132.7 -9.7 10.7 -44.0 40 43 X N E + F 0 77B 105 37,-2.7 37,-3.2 -2,-0.4 2,-0.3 -0.999 11.0 176.6-129.2 129.0 -6.6 10.9 -46.1 41 44 X A E - F 0 76B 30 -2,-0.4 35,-0.2 35,-0.2 6,-0.1 -0.860 34.4 -98.0-127.3 162.0 -3.7 13.0 -45.1 42 45 X S > - 0 0 28 33,-2.0 3,-2.3 -2,-0.3 32,-0.1 -0.344 48.9 -97.7 -76.1 162.3 -0.2 13.7 -46.5 43 46 X P T 3 S+ 0 0 124 0, 0.0 -1,-0.1 0, 0.0 31,-0.1 0.719 119.9 62.4 -63.2 -21.8 2.7 11.7 -44.9 44 47 X G T 3 S+ 0 0 18 20,-0.1 21,-1.7 31,-0.1 2,-0.5 0.498 94.3 74.4 -78.2 -5.7 3.7 14.5 -42.5 45 48 X V E < -C 64 0A 10 -3,-2.3 2,-0.6 19,-0.2 19,-0.2 -0.948 67.2-156.2-111.8 127.2 0.3 14.4 -40.8 46 49 X V E -C 63 0A 47 17,-3.7 17,-1.8 -2,-0.5 2,-0.6 -0.904 8.9-158.4-103.8 117.5 -0.6 11.6 -38.4 47 50 X V E -C 62 0A 41 -2,-0.6 2,-0.4 15,-0.2 15,-0.2 -0.858 7.1-171.1 -97.5 119.6 -4.4 11.0 -38.0 48 51 X D E C 61 0A 78 13,-2.6 13,-2.4 -2,-0.6 -2,-0.0 -0.902 360.0 360.0-107.6 145.0 -5.5 9.2 -34.9 49 52 X I 0 0 72 -2,-0.4 10,-0.3 11,-0.2 -1,-0.1 0.122 360.0 360.0-163.5 360.0 -9.2 8.2 -34.7 50 ! 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 51 67 X T 0 0 112 0, 0.0 -13,-0.2 0, 0.0 -15,-0.0 0.000 360.0 360.0 360.0 146.8 -13.5 4.3 -42.5 52 68 X W E -E 37 0B 100 -15,-1.9 -15,-2.6 1,-0.1 2,-0.2 -0.677 360.0-102.0-122.6 161.7 -15.9 5.6 -39.8 53 69 X P E -E 36 0B 74 0, 0.0 2,-2.0 0, 0.0 -17,-0.3 -0.531 40.1-107.8 -81.3 154.5 -19.5 6.7 -39.4 54 70 X L + 0 0 40 -19,-3.9 -18,-0.1 -2,-0.2 -23,-0.0 -0.485 65.7 144.3 -82.9 70.3 -20.4 10.4 -39.3 55 71 X D > - 0 0 84 -2,-2.0 3,-2.6 1,-0.1 -27,-0.1 -0.956 54.0-130.9-115.4 125.1 -21.2 10.4 -35.5 56 72 X P T 3 S+ 0 0 108 0, 0.0 -28,-0.1 0, 0.0 -29,-0.1 0.731 102.6 61.4 -45.4 -37.7 -20.3 13.6 -33.5 57 73 X G T 3 S+ 0 0 53 2,-0.1 2,-0.5 -3,-0.0 -3,-0.0 0.530 73.5 113.0 -73.4 -8.4 -18.5 11.7 -30.7 58 74 X V < - 0 0 32 -3,-2.6 2,-0.5 -5,-0.1 -31,-0.2 -0.555 63.8-142.4 -65.6 116.1 -15.9 10.2 -33.1 59 75 X E - 0 0 116 -2,-0.5 2,-0.5 -10,-0.3 -33,-0.1 -0.728 20.6-177.9 -87.1 125.7 -12.6 11.9 -32.0 60 76 X V - 0 0 1 -2,-0.5 -35,-2.2 -35,-0.4 2,-0.4 -0.973 5.4-178.1-125.1 114.4 -10.2 12.8 -34.9 61 77 X T E -BC 24 48A 31 -13,-2.4 -13,-2.6 -2,-0.5 2,-0.4 -0.922 11.2-152.9-119.1 137.9 -6.9 14.2 -33.8 62 78 X L E -BC 23 47A 3 -39,-2.9 -39,-0.8 -2,-0.4 2,-0.4 -0.901 11.6-177.9-111.5 137.7 -4.1 15.5 -36.1 63 79 X T E - C 0 46A 60 -17,-1.8 -17,-3.7 -2,-0.4 2,-0.4 -0.996 13.0-149.4-136.0 139.2 -0.5 15.6 -35.3 64 80 X M E - C 0 45A 15 -2,-0.4 -44,-0.2 -19,-0.2 -19,-0.2 -0.882 5.5-151.9-111.2 142.3 2.4 16.9 -37.4 65 81 X K S S+ 0 0 152 -21,-1.7 2,-0.3 -2,-0.4 -1,-0.1 0.847 72.6 4.4 -82.7 -35.7 5.9 15.5 -37.3 66 82 X A S S- 0 0 65 -22,-0.3 30,-0.2 32,-0.0 -1,-0.2 -0.951 84.4 -76.9-148.3 163.6 7.9 18.6 -38.3 67 83 X A - 0 0 25 -2,-0.3 30,-0.2 1,-0.1 2,-0.1 -0.254 55.4-102.6 -59.8 148.6 7.7 22.3 -39.2 68 84 X S - 0 0 6 28,-3.1 3,-0.1 96,-0.2 -1,-0.1 -0.462 15.2-154.8 -75.0 144.5 6.4 23.2 -42.7 69 85 X G S S+ 0 0 51 1,-0.3 98,-0.6 -2,-0.1 2,-0.3 0.750 84.9 16.2 -83.2 -32.5 8.8 24.2 -45.4 70 86 X S S > S- 0 0 74 96,-0.2 3,-1.9 97,-0.1 -1,-0.3 -0.983 97.0 -82.8-139.0 155.2 6.0 26.1 -47.1 71 87 X T T 3 S+ 0 0 80 -2,-0.3 24,-0.2 1,-0.3 23,-0.1 -0.271 113.9 2.0 -51.9 129.3 2.6 27.5 -46.2 72 88 X G T 3 S+ 0 0 16 -57,-0.2 -1,-0.3 1,-0.1 22,-0.2 0.683 83.6 144.7 65.2 20.3 -0.1 24.8 -46.5 73 89 X D < + 0 0 63 -3,-1.9 2,-0.4 20,-0.1 22,-0.1 0.463 61.0 58.1 -73.7 -2.6 2.5 22.1 -47.5 74 90 X Q E S- G 0 94B 39 20,-1.8 20,-2.9 -4,-0.1 2,-0.3 -0.944 72.9-172.5-118.6 148.7 0.6 19.5 -45.6 75 91 X K E - G 0 93B 102 -2,-0.4 -33,-2.0 18,-0.2 2,-0.4 -0.986 17.2-155.0-143.6 153.9 -3.1 18.7 -46.4 76 92 X V E -FG 41 92B 0 16,-2.8 16,-2.5 -2,-0.3 2,-0.5 -0.979 8.4-161.7-125.6 138.0 -6.0 16.7 -45.1 77 93 X Q E -FG 40 91B 59 -37,-3.2 -37,-2.7 -2,-0.4 2,-0.6 -0.987 0.9-165.7-125.0 117.6 -8.8 15.4 -47.3 78 94 X I E -FG 39 90B 0 12,-2.9 12,-2.8 -2,-0.5 2,-0.7 -0.934 8.5-160.5-104.0 115.3 -12.0 14.4 -45.6 79 95 X S E -FG 38 89B 14 -41,-2.5 -41,-2.7 -2,-0.6 2,-0.4 -0.903 3.0-159.9-102.1 113.1 -14.2 12.4 -48.0 80 96 X Y E +FG 37 88B 0 8,-4.1 8,-3.4 -2,-0.7 2,-0.3 -0.748 20.8 166.8 -85.9 136.2 -17.9 12.3 -47.0 81 97 X Y E -F 36 0B 59 -45,-2.3 -45,-2.6 -2,-0.4 -46,-1.2 -0.986 16.7-171.8-150.4 162.8 -19.9 9.5 -48.5 82 98 X G E > - 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