==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=23-OCT-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE/HYDROLASE INHIBITOR 13-JUL-11 3B1U . COMPND 2 MOLECULE: PROTEIN-ARGININE DEIMINASE TYPE-4; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR C.P.CAUSEY,J.E.JONES,J.L.SLACK,D.KAMEI,L.E.JONES JR,V.SUBRAM . 628 5 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 28156.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 403 64.2 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 . 126 20.1 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 . 1 0.2 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 . 58 9.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 64 10.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 76 12.1 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+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 1 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 . 3 3 6 2 4 2 2 1 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 A G 0 0 83 0, 0.0 2,-0.3 0, 0.0 21,-0.2 0.000 360.0 360.0 360.0 138.8 5.9 -12.0 27.7 2 5 A T E -a 22 0A 68 19,-1.5 21,-2.5 2,-0.0 2,-0.6 -0.983 360.0-155.4-148.4 136.4 7.4 -11.0 31.1 3 6 A L E -a 23 0A 88 -2,-0.3 2,-0.5 19,-0.2 21,-0.2 -0.940 12.8-158.4-114.9 110.2 10.5 -12.1 33.0 4 7 A I E -a 24 0A 15 19,-2.8 21,-2.4 -2,-0.6 2,-0.8 -0.767 9.1-144.8 -89.7 126.7 10.4 -11.5 36.8 5 8 A R E -a 25 0A 172 -2,-0.5 2,-0.2 19,-0.2 21,-0.1 -0.825 18.1-161.6 -95.8 107.1 13.8 -11.3 38.5 6 9 A V - 0 0 0 19,-1.3 23,-0.4 -2,-0.8 85,-0.1 -0.546 6.0-168.2 -88.4 154.1 13.5 -12.8 42.0 7 10 A T - 0 0 34 3,-0.5 83,-0.5 83,-0.3 5,-0.1 -0.999 27.5-147.1-145.7 138.3 16.0 -12.3 44.8 8 11 A P S S+ 0 0 30 0, 0.0 80,-0.1 0, 0.0 -1,-0.1 0.708 100.5 58.7 -75.5 -19.8 16.7 -13.8 48.2 9 12 A E S S+ 0 0 180 1,-0.2 79,-0.0 20,-0.2 80,-0.0 0.944 117.5 18.4 -72.7 -51.1 17.8 -10.4 49.6 10 13 A Q S S- 0 0 139 80,-0.0 -3,-0.5 0, 0.0 -1,-0.2 -0.956 83.0-114.2-125.0 140.3 14.6 -8.5 48.9 11 14 A P - 0 0 57 0, 0.0 2,-0.4 0, 0.0 80,-0.2 -0.469 31.2-134.4 -70.9 146.1 11.1 -9.7 48.3 12 15 A T E -d 91 0B 26 78,-2.6 80,-2.9 -2,-0.1 2,-0.4 -0.821 13.3-161.7-105.5 140.0 9.6 -9.0 44.8 13 16 A H E +d 92 0B 135 -2,-0.4 2,-0.3 78,-0.2 80,-0.2 -0.970 21.4 160.3-118.5 136.7 6.1 -7.6 44.0 14 17 A A E -d 93 0B 24 78,-2.0 80,-1.6 -2,-0.4 2,-0.4 -0.993 33.7-127.7-155.1 154.2 4.6 -8.0 40.6 15 18 A V E -d 94 0B 30 -2,-0.3 2,-0.5 78,-0.2 80,-0.2 -0.860 18.6-160.7-104.5 140.8 1.3 -7.9 38.6 16 19 A C E -d 95 0B 6 78,-2.6 80,-2.0 -2,-0.4 2,-0.4 -0.967 7.0-150.7-125.2 115.2 0.3 -10.8 36.3 17 20 A V E > -d 96 0B 9 -2,-0.5 3,-1.3 78,-0.2 80,-0.2 -0.718 31.9-110.1 -83.6 129.1 -2.4 -10.2 33.6 18 21 A L T 3 S+ 0 0 44 78,-2.2 80,-0.3 -2,-0.4 3,-0.1 -0.330 102.0 30.1 -64.5 136.7 -4.3 -13.4 32.8 19 22 A G T 3 S+ 0 0 90 1,-0.4 2,-0.3 44,-0.3 -1,-0.2 0.469 98.3 110.5 91.3 5.4 -3.5 -15.0 29.4 20 23 A T S < S- 0 0 38 -3,-1.3 2,-0.6 -19,-0.0 -1,-0.4 -0.772 74.3-108.8-110.0 155.8 0.0 -13.6 29.4 21 24 A L - 0 0 74 -2,-0.3 -19,-1.5 -3,-0.1 2,-0.5 -0.764 35.4-175.7 -87.3 117.2 3.3 -15.5 29.7 22 25 A T E +aB 2 61A 8 39,-0.8 39,-2.7 -2,-0.6 2,-0.3 -0.966 5.4 176.1-114.7 128.1 5.1 -15.0 33.0 23 26 A Q E -aB 3 60A 58 -21,-2.5 -19,-2.8 -2,-0.5 2,-0.4 -0.891 20.6-130.0-128.0 160.6 8.5 -16.5 33.6 24 27 A L E -aB 4 59A 12 35,-2.6 2,-0.7 -2,-0.3 35,-0.6 -0.899 1.0-152.2-113.6 136.9 11.1 -16.4 36.5 25 28 A D E +a 5 0A 24 -21,-2.4 -19,-1.3 -2,-0.4 4,-0.2 -0.937 29.4 160.7-100.4 106.8 14.8 -15.7 36.4 26 29 A I + 0 0 5 -2,-0.7 -1,-0.1 -21,-0.1 3,-0.1 0.744 62.7 54.2 -97.7 -29.4 16.0 -17.7 39.5 27 30 A C S > S+ 0 0 22 1,-0.2 3,-2.0 2,-0.1 -1,-0.1 0.877 90.0 68.5 -79.5 -42.0 19.7 -18.0 38.7 28 31 A S T 3 S+ 0 0 90 1,-0.3 -1,-0.2 27,-0.1 -2,-0.1 0.846 114.6 26.6 -52.2 -46.3 21.0 -14.4 38.1 29 32 A S T 3 S+ 0 0 54 -23,-0.4 -1,-0.3 -4,-0.2 -20,-0.2 0.063 94.0 129.3-106.0 23.1 20.6 -13.2 41.7 30 33 A A < - 0 0 24 -3,-2.0 2,-0.1 -23,-0.1 -3,-0.1 -0.508 54.0-125.9 -78.8 146.1 21.0 -16.6 43.3 31 34 A P 0 0 50 0, 0.0 -1,-0.1 0, 0.0 56,-0.1 -0.392 360.0 360.0 -87.4 169.4 23.5 -17.1 46.2 32 35 A E 0 0 177 -2,-0.1 -2,-0.0 2,-0.1 52,-0.0 0.590 360.0 360.0-127.1 360.0 26.3 -19.6 46.4 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 67 0, 0.0 19,-1.2 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0 -91.4 23.7 -25.5 43.1 35 39 A S E +EF 52 80B 36 45,-1.2 45,-1.2 17,-0.3 2,-0.3 -0.968 360.0 179.6-150.9 159.9 20.0 -26.4 43.6 36 40 A F E -EF 51 79B 1 15,-2.7 15,-1.0 -2,-0.3 2,-0.3 -0.986 9.9-155.9-159.9 157.4 16.6 -24.9 44.1 37 41 A S E - F 0 78B 32 41,-1.6 41,-2.9 -2,-0.3 2,-0.4 -0.978 12.6-141.0-136.6 150.9 12.9 -25.8 44.7 38 42 A I E + F 0 77B 42 -2,-0.3 2,-0.4 39,-0.2 39,-0.2 -0.939 16.7 176.4-117.3 131.6 9.6 -23.9 44.0 39 43 A N E + F 0 76B 105 37,-2.2 37,-2.8 -2,-0.4 2,-0.3 -0.998 12.1 174.7-131.2 129.3 6.5 -23.9 46.2 40 44 A A E - F 0 75B 27 -2,-0.4 35,-0.2 35,-0.2 6,-0.1 -0.909 35.3 -92.8-133.8 158.6 3.5 -21.7 45.3 41 45 A S > - 0 0 28 33,-2.0 3,-2.6 -2,-0.3 32,-0.0 -0.328 48.1-100.1 -68.4 153.7 -0.1 -21.1 46.5 42 46 A P T 3 S+ 0 0 133 0, 0.0 -1,-0.1 0, 0.0 31,-0.1 0.715 120.6 61.3 -49.0 -30.4 -2.9 -23.1 44.9 43 47 A G T 3 S+ 0 0 25 20,-0.1 21,-1.0 21,-0.1 2,-0.5 0.710 93.9 74.7 -69.9 -22.6 -3.9 -20.2 42.6 44 48 A V E < -C 63 0A 11 -3,-2.6 2,-0.7 19,-0.2 19,-0.2 -0.841 67.2-157.8 -98.0 124.3 -0.4 -20.3 40.9 45 49 A V E -C 62 0A 50 17,-2.4 17,-1.6 -2,-0.5 2,-0.7 -0.894 11.1-165.4-101.3 109.3 0.4 -23.0 38.4 46 50 A V E -C 61 0A 37 -2,-0.7 2,-0.3 15,-0.2 15,-0.2 -0.858 5.5-172.2-101.9 110.3 4.2 -23.4 38.2 47 51 A D E C 60 0A 83 13,-2.5 13,-2.2 -2,-0.7 -2,-0.0 -0.765 360.0 360.0-101.2 148.2 5.4 -25.4 35.2 48 52 A I 0 0 82 -2,-0.3 10,-0.2 11,-0.2 -1,-0.1 0.085 360.0 360.0-164.2 360.0 9.0 -26.5 34.7 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 0 122 0, 0.0 -13,-0.1 0, 0.0 -15,-0.0 0.000 360.0 360.0 360.0 31.1 14.4 -31.2 43.1 51 68 A W E -E 36 0B 109 -15,-1.0 -15,-2.7 6,-0.0 2,-0.2 -0.991 360.0-120.1-148.6 143.0 15.9 -28.9 40.4 52 69 A P E -E 35 0B 74 0, 0.0 2,-1.9 0, 0.0 -17,-0.3 -0.526 28.3-111.2 -85.9 149.6 19.4 -27.7 39.5 53 70 A L + 0 0 36 -19,-1.2 -18,-0.1 -2,-0.2 3,-0.0 -0.565 63.7 143.5 -78.6 81.4 20.5 -24.0 39.4 54 71 A D > - 0 0 91 -2,-1.9 3,-2.5 1,-0.1 -28,-0.1 -0.993 54.3-134.2-125.9 123.6 21.0 -23.9 35.6 55 72 A P T 3 S+ 0 0 109 0, 0.0 -28,-0.1 0, 0.0 -29,-0.1 0.761 102.2 62.9 -45.0 -35.2 20.1 -20.8 33.5 56 73 A G T 3 S+ 0 0 57 2,-0.1 2,-0.7 -3,-0.0 -3,-0.0 0.534 73.8 107.9 -73.3 -8.3 18.4 -22.9 30.9 57 74 A V < - 0 0 32 -3,-2.5 2,-0.6 -5,-0.1 -6,-0.0 -0.626 65.2-144.3 -75.6 110.0 15.7 -24.2 33.2 58 75 A E - 0 0 140 -2,-0.7 2,-0.6 -10,-0.2 -33,-0.1 -0.665 16.0-172.1 -80.5 117.4 12.5 -22.5 32.2 59 76 A V E -B 24 0A 2 -35,-0.6 -35,-2.6 -2,-0.6 2,-0.4 -0.943 10.5-177.8-109.9 110.1 10.2 -21.7 35.2 60 77 A T E -BC 23 47A 25 -13,-2.2 -13,-2.5 -2,-0.6 2,-0.4 -0.911 9.3-159.2-116.2 136.2 6.8 -20.4 34.0 61 78 A L E +BC 22 46A 0 -39,-2.7 -39,-0.8 -2,-0.4 2,-0.4 -0.905 9.2 179.9-116.0 138.9 3.9 -19.2 36.2 62 79 A T E - C 0 45A 55 -17,-1.6 -17,-2.4 -2,-0.4 2,-0.2 -0.967 14.7-150.0-140.4 123.9 0.2 -18.9 35.3 63 80 A M E - C 0 44A 18 -2,-0.4 -44,-0.3 -19,-0.2 -19,-0.2 -0.571 1.6-158.0 -80.7 153.1 -2.7 -17.8 37.5 64 81 A K S S+ 0 0 184 -21,-1.0 2,-0.3 1,-0.2 -1,-0.1 0.747 73.3 23.8 -99.1 -34.2 -6.2 -19.2 36.9 65 82 A A S S- 0 0 63 -22,-0.3 -1,-0.2 1,-0.0 30,-0.1 -0.923 86.1 -94.6-133.7 157.7 -8.3 -16.4 38.5 66 83 A A - 0 0 19 -2,-0.3 30,-0.2 1,-0.1 2,-0.1 -0.289 49.9 -98.3 -66.2 154.2 -8.0 -12.7 39.3 67 84 A S - 0 0 7 28,-3.4 -1,-0.1 96,-0.2 3,-0.1 -0.441 15.4-154.1 -77.8 146.6 -6.8 -11.6 42.8 68 85 A G S S+ 0 0 57 1,-0.2 98,-0.7 -2,-0.1 2,-0.3 0.794 83.9 9.9 -83.0 -35.6 -9.2 -10.6 45.5 69 86 A S S > S- 0 0 67 96,-0.2 3,-1.3 97,-0.1 -1,-0.2 -0.948 97.9 -74.8-141.5 163.3 -6.5 -8.5 47.2 70 87 A T T 3 S+ 0 0 81 -2,-0.3 24,-0.1 1,-0.3 23,-0.1 -0.368 114.1 0.5 -62.8 124.5 -3.0 -7.2 46.4 71 88 A G T 3 S+ 0 0 16 -2,-0.2 -1,-0.3 -57,-0.2 23,-0.2 0.820 81.8 143.5 68.9 33.9 -0.3 -9.9 46.7 72 89 A D < + 0 0 60 -3,-1.3 2,-0.4 21,-0.2 22,-0.1 0.632 56.8 68.6 -80.7 -15.5 -2.8 -12.6 47.6 73 90 A Q E S- G 0 93B 35 20,-1.8 20,-2.8 -4,-0.2 2,-0.3 -0.864 73.0-158.0-103.5 142.5 -0.8 -15.2 45.6 74 91 A K E - G 0 92B 116 -2,-0.4 -33,-2.0 18,-0.2 2,-0.4 -0.910 14.7-169.8-123.8 145.2 2.6 -16.3 46.8 75 92 A V E -FG 40 91B 2 16,-1.8 16,-2.1 -2,-0.3 2,-0.5 -0.997 8.1-167.7-131.7 132.1 5.7 -17.9 45.2 76 93 A Q E -FG 39 90B 55 -37,-2.8 -37,-2.2 -2,-0.4 2,-0.6 -0.964 3.0-167.1-124.9 114.7 8.6 -19.2 47.3 77 94 A I E -FG 38 89B 0 12,-2.4 12,-2.5 -2,-0.5 2,-0.7 -0.904 10.2-156.6-102.2 119.8 11.9 -20.1 45.7 78 95 A S E -FG 37 88B 21 -41,-2.9 -41,-1.6 -2,-0.6 2,-0.7 -0.876 1.7-160.5-102.2 111.1 14.2 -22.1 48.1 79 96 A Y E +FG 36 87B 6 8,-3.1 8,-2.5 -2,-0.7 2,-0.2 -0.828 28.0 154.5 -90.1 116.3 17.9 -21.9 47.3 80 97 A Y E -F 35 0B 64 -45,-1.2 -45,-1.2 -2,-0.7 -2,-0.0 -0.809 19.6-170.6-134.3 174.7 19.8 -24.8 49.0 81 98 A G - 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