==== 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 3B1T . 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 . 624 6 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 27607.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 407 65.2 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 . 133 21.3 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 . 55 8.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 69 11.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 76 12.2 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 3 0 1 0 0 1 1 0 0 1 1 0 0 0 0 0 0 0 0 0 1 0 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 . 7 3 5 2 4 1 2 1 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 1 3 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,-0.2 0, 0.0 21,-0.2 0.000 360.0 360.0 360.0 160.0 6.5 -11.9 27.8 2 5 A T E -a 22 0A 55 19,-0.6 21,-3.3 2,-0.1 2,-0.7 -0.759 360.0-145.7-162.4 128.8 7.8 -10.6 31.1 3 6 A L E -a 23 0A 91 -2,-0.2 2,-0.5 19,-0.2 21,-0.2 -0.826 10.3-164.7 -88.9 116.3 10.9 -11.2 33.2 4 7 A I E -a 24 0A 16 19,-3.0 21,-3.3 -2,-0.7 2,-0.5 -0.900 15.6-152.8 -87.1 133.0 10.4 -11.1 36.9 5 8 A R E -a 25 0A 163 -2,-0.5 2,-0.3 19,-0.2 21,-0.1 -0.953 11.5-163.7-113.8 122.9 13.8 -10.7 38.4 6 9 A V - 0 0 1 19,-1.8 23,-0.4 -2,-0.5 84,-0.1 -0.845 9.9-174.9-116.3 148.1 14.3 -12.1 41.9 7 10 A T - 0 0 38 3,-0.6 82,-0.3 -2,-0.3 3,-0.1 -0.872 29.6-140.3-124.9 157.4 17.0 -11.6 44.6 8 11 A P S S+ 0 0 33 0, 0.0 79,-0.2 0, 0.0 -1,-0.1 0.583 102.1 70.3 -86.1 -13.4 17.6 -13.1 48.0 9 12 A E S S+ 0 0 174 20,-0.2 79,-0.1 1,-0.2 -3,-0.0 0.583 115.0 6.2 -79.0 -6.1 18.6 -9.7 49.2 10 13 A Q S S- 0 0 142 -3,-0.1 -3,-0.6 79,-0.1 2,-0.3 -0.979 74.3-109.5-162.7 158.9 15.0 -8.5 48.9 11 14 A P - 0 0 52 0, 0.0 2,-0.4 0, 0.0 79,-0.2 -0.682 37.5-141.3 -87.4 148.8 11.4 -9.6 48.2 12 15 A T E -d 90 0B 26 77,-1.8 79,-2.7 -2,-0.3 2,-0.5 -0.892 5.6-148.6-117.9 145.8 10.0 -8.5 44.9 13 16 A H E +d 91 0B 136 -2,-0.4 2,-0.3 77,-0.2 79,-0.2 -0.941 27.2 163.4-114.3 122.3 6.5 -7.4 44.0 14 17 A A E -d 92 0B 17 77,-2.3 79,-1.2 -2,-0.5 2,-0.3 -0.926 28.6-135.1-136.6 158.9 5.2 -8.0 40.6 15 18 A V E -d 93 0B 28 -2,-0.3 2,-0.4 77,-0.2 79,-0.2 -0.895 13.6-161.4-111.3 144.1 1.9 -8.1 38.6 16 19 A C E -d 94 0B 4 77,-2.6 79,-2.4 -2,-0.3 2,-0.4 -0.994 8.8-147.4-124.2 134.3 0.8 -10.8 36.1 17 20 A V E > -d 95 0B 8 -2,-0.4 3,-1.4 77,-0.2 79,-0.2 -0.842 31.3-106.8 -97.9 133.3 -2.0 -10.3 33.6 18 21 A L T 3 S+ 0 0 46 77,-2.7 79,-0.3 -2,-0.4 3,-0.1 -0.409 105.2 30.1 -60.5 130.6 -4.0 -13.4 32.7 19 22 A G T 3 S+ 0 0 89 1,-0.4 2,-0.3 43,-0.2 -1,-0.2 0.415 97.2 110.3 102.0 6.5 -3.1 -14.8 29.3 20 23 A T S < S- 0 0 36 -3,-1.4 2,-0.8 -18,-0.0 -1,-0.4 -0.807 70.1-121.2-117.7 148.2 0.5 -13.6 29.4 21 24 A L - 0 0 83 -2,-0.3 -19,-0.6 -3,-0.1 2,-0.4 -0.815 30.6-167.6 -94.1 108.6 3.6 -15.7 29.7 22 25 A T E -aB 2 60A 4 38,-1.1 38,-2.6 -2,-0.8 2,-0.3 -0.772 1.5-165.5 -95.7 139.3 5.6 -14.7 32.7 23 26 A Q E -aB 3 59A 74 -21,-3.3 -19,-3.0 -2,-0.4 2,-0.5 -0.933 11.3-136.6-126.8 154.1 9.1 -15.9 33.3 24 27 A L E -a 4 0A 10 34,-2.0 2,-0.9 -2,-0.3 34,-0.5 -0.888 4.1-147.4-114.5 126.9 11.3 -15.9 36.3 25 28 A D E +a 5 0A 19 -21,-3.3 -19,-1.8 -2,-0.5 4,-0.1 -0.845 30.5 159.9 -93.1 105.6 15.0 -14.9 36.4 26 29 A I + 0 0 4 -2,-0.9 3,-0.3 30,-0.2 -1,-0.2 0.751 65.2 52.4 -95.4 -27.1 16.4 -17.1 39.1 27 30 A C S > S+ 0 0 43 1,-0.2 3,-1.4 29,-0.2 -1,-0.1 0.794 85.2 77.2 -84.8 -31.4 20.2 -16.9 38.2 28 31 A S T 3 S+ 0 0 77 1,-0.3 -1,-0.2 -21,-0.0 -2,-0.1 0.674 116.2 16.0 -61.9 -24.2 21.0 -13.2 37.9 29 32 A S T 3 S+ 0 0 51 -23,-0.4 -1,-0.3 -3,-0.3 -20,-0.2 0.075 98.0 127.8-133.9 22.4 21.2 -12.6 41.6 30 33 A A < 0 0 26 -3,-1.4 -3,-0.1 -23,-0.1 -4,-0.0 -0.217 360.0 360.0 -71.9 166.7 21.5 -16.2 42.9 31 34 A P 0 0 76 0, 0.0 55,-0.1 0, 0.0 -2,-0.1 -0.961 360.0 360.0-130.8 360.0 24.1 -17.4 45.2 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 A T 0 0 84 0, 0.0 19,-0.3 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0 -82.1 24.5 -24.6 42.9 34 39 A S - 0 0 28 17,-0.2 45,-1.1 45,-0.2 2,-0.3 -0.900 360.0-172.5 179.4 151.0 20.9 -25.7 43.2 35 40 A F E -EF 50 78B 0 15,-3.0 15,-1.0 43,-0.3 2,-0.3 -0.983 8.8-155.7-148.7 154.1 17.4 -24.4 43.8 36 41 A S E - F 0 77B 31 41,-1.7 41,-2.0 -2,-0.3 2,-0.5 -0.967 14.7-141.2-129.8 154.4 13.8 -25.5 44.5 37 42 A I E + F 0 76B 30 -2,-0.3 2,-0.5 39,-0.2 39,-0.2 -0.961 17.8 176.2-120.2 121.7 10.5 -23.6 43.8 38 43 A N E - F 0 75B 110 37,-2.7 37,-2.8 -2,-0.5 2,-0.3 -0.982 13.5-179.8-120.3 122.1 7.5 -23.6 46.0 39 44 A A E - F 0 74B 25 -2,-0.5 35,-0.3 35,-0.2 6,-0.1 -0.887 32.8 -94.5-124.1 152.9 4.6 -21.5 45.1 40 45 A S > - 0 0 26 33,-3.6 3,-0.6 -2,-0.3 -1,-0.2 0.093 50.0 -97.1 -48.3 175.2 1.1 -20.7 46.4 41 46 A P T 3 S+ 0 0 123 0, 0.0 -1,-0.1 0, 0.0 31,-0.1 0.797 119.5 55.5 -76.6 -32.1 -1.8 -22.7 45.1 42 47 A G T 3 S+ 0 0 22 29,-0.2 21,-1.6 20,-0.1 2,-0.6 0.572 95.8 78.1 -76.4 -9.0 -3.0 -20.2 42.5 43 48 A V E < -C 62 0A 8 -3,-0.6 2,-0.5 19,-0.2 19,-0.2 -0.897 66.1-161.4-106.5 119.0 0.4 -20.0 40.8 44 49 A V E -C 61 0A 61 17,-3.5 17,-2.6 -2,-0.6 2,-0.5 -0.872 6.9-160.2-103.2 128.9 1.4 -22.9 38.6 45 50 A V E -C 60 0A 34 -2,-0.5 15,-0.2 15,-0.2 2,-0.2 -0.914 7.6-171.4-116.0 119.5 5.0 -23.3 37.8 46 51 A D E C 59 0A 100 13,-1.7 13,-1.5 -2,-0.5 15,-0.0 -0.575 360.0 360.0 -99.4 170.9 6.5 -25.2 34.9 47 52 A I 0 0 69 -2,-0.2 10,-0.2 11,-0.2 -1,-0.1 -0.321 360.0 360.0-174.0 360.0 10.2 -25.9 34.6 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 A T 0 0 106 0, 0.0 -13,-0.2 0, 0.0 -15,-0.0 0.000 360.0 360.0 360.0 34.3 15.2 -30.5 43.3 50 68 A W B -E 35 0B 102 -15,-1.0 -15,-3.0 6,-0.0 2,-0.2 -0.996 360.0-125.0-151.8 143.6 16.8 -28.5 40.4 51 69 A P - 0 0 75 0, 0.0 2,-1.9 0, 0.0 -17,-0.2 -0.620 26.0-117.0 -95.3 147.1 20.4 -27.4 39.2 52 70 A L + 0 0 44 -19,-0.3 -18,-0.1 -2,-0.2 -22,-0.0 -0.187 53.6 152.3 -82.0 49.5 21.5 -23.8 38.5 53 71 A D > - 0 0 96 -2,-1.9 3,-3.3 1,-0.1 -26,-0.1 -0.665 50.7-131.1 -75.9 126.3 22.3 -24.3 34.8 54 72 A P T 3 S+ 0 0 120 0, 0.0 -1,-0.1 0, 0.0 -27,-0.1 0.576 106.6 67.8 -58.6 -9.1 21.8 -21.0 32.9 55 73 A G T 3 S+ 0 0 58 2,-0.1 2,-0.5 0, 0.0 -3,-0.1 0.551 73.6 122.7 -74.4 -10.3 19.8 -22.9 30.3 56 74 A V < - 0 0 36 -3,-3.3 2,-0.6 -5,-0.1 -30,-0.2 -0.394 50.2-157.3 -68.2 109.9 17.1 -23.5 33.0 57 75 A E - 0 0 109 -2,-0.5 2,-0.5 -10,-0.2 -32,-0.1 -0.778 11.2-176.5 -87.2 113.8 13.7 -22.1 31.9 58 76 A V - 0 0 6 -2,-0.6 -34,-2.0 -34,-0.5 2,-0.3 -0.973 6.5-177.5-113.6 130.5 11.3 -21.3 34.8 59 77 A T E -BC 23 46A 18 -13,-1.5 -13,-1.7 -2,-0.5 2,-0.4 -0.939 12.1-152.4-134.0 142.8 7.8 -20.1 33.8 60 78 A L E -BC 22 45A 0 -38,-2.6 -38,-1.1 -2,-0.3 2,-0.4 -0.956 10.9-178.5-124.1 134.8 4.9 -18.9 35.9 61 79 A T E - C 0 44A 65 -17,-2.6 -17,-3.5 -2,-0.4 2,-0.4 -0.994 13.4-149.0-134.4 137.3 1.2 -19.1 35.1 62 80 A M E - C 0 43A 19 -2,-0.4 -43,-0.2 -19,-0.2 -19,-0.2 -0.863 4.8-159.6-104.0 142.1 -1.8 -17.9 37.1 63 81 A K S S+ 0 0 194 -21,-1.6 2,-0.3 -2,-0.4 -1,-0.1 0.829 71.5 10.6 -86.7 -35.2 -5.2 -19.5 37.1 64 82 A A S S- 0 0 65 -22,-0.3 -1,-0.2 32,-0.0 30,-0.2 -0.988 81.6 -83.7-148.1 155.5 -7.3 -16.6 38.4 65 83 A A - 0 0 20 -2,-0.3 30,-0.2 1,-0.1 98,-0.1 -0.197 53.6-107.3 -47.0 137.7 -7.4 -12.8 39.3 66 84 A S - 0 0 8 28,-2.9 -1,-0.1 96,-0.2 3,-0.1 -0.368 14.8-153.3 -68.2 148.5 -6.2 -11.9 42.7 67 85 A G S S+ 0 0 65 1,-0.3 98,-0.5 97,-0.1 2,-0.3 0.736 83.5 14.3 -88.6 -32.7 -8.6 -10.9 45.4 68 86 A S S > S- 0 0 64 96,-0.2 3,-1.5 97,-0.1 -1,-0.3 -0.954 97.5 -80.7-139.3 161.4 -6.0 -8.8 47.2 69 87 A T T 3 S+ 0 0 69 -2,-0.3 24,-0.2 1,-0.3 23,-0.1 -0.388 113.0 4.9 -64.0 131.5 -2.6 -7.4 46.4 70 88 A G T 3 S+ 0 0 20 -56,-0.2 -1,-0.3 -2,-0.1 23,-0.2 0.731 82.6 142.4 71.2 23.7 0.2 -10.0 46.7 71 89 A D < + 0 0 53 -3,-1.5 2,-0.3 20,-0.1 -29,-0.2 0.448 57.7 61.1 -82.1 2.9 -2.2 -12.8 47.5 72 90 A Q E S- G 0 92B 31 20,-1.5 20,-1.6 -4,-0.1 2,-0.4 -0.875 72.6-163.5-121.9 160.0 -0.1 -15.3 45.5 73 91 A K E - 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