==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=8-APR-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 19-OCT-10 3APN . COMPND 2 MOLECULE: PROTEIN-ARGININE DEIMINASE TYPE-4; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR N.HORIKOSHI,H.TACHIWANA,K.SAITO,A.OSAKABE,M.SATO,M.YAMADA,S. . 563 12 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 27487.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 361 64.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 46 8.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 122 21.7 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.4 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 1.6 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 . 60 10.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 50 8.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 62 11.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 1.1 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 1 0 1 1 1 0 0 1 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 1 1 2 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 1 3 4 1 0 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 3 1 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 2 A A 0 0 118 0, 0.0 2,-0.3 0, 0.0 21,-0.2 0.000 360.0 360.0 360.0-137.1 -33.1 14.3 22.7 2 3 A Q + 0 0 160 19,-0.5 21,-1.5 22,-0.0 2,-0.3 -0.917 360.0 102.1-124.9 150.9 -35.0 17.6 22.3 3 4 A G E -a 23 0A 42 -2,-0.3 21,-0.2 19,-0.3 2,-0.2 -0.907 48.3 -45.0 178.2-148.8 -36.4 19.1 19.0 4 5 A T E -a 24 0A 64 19,-0.7 21,-3.6 -2,-0.3 2,-0.4 -0.569 27.5-128.4-119.3 177.9 -39.1 20.0 16.5 5 6 A L E -a 25 0A 78 19,-0.2 2,-0.3 -2,-0.2 21,-0.3 -0.978 21.8-154.6-132.3 116.7 -42.2 18.7 14.6 6 7 A I E -a 26 0A 14 19,-3.1 21,-4.0 -2,-0.4 2,-0.6 -0.731 3.9-148.5 -95.9 139.6 -42.5 19.1 10.8 7 8 A R E -a 27 0A 146 -2,-0.3 2,-0.3 19,-0.2 21,-0.1 -0.921 15.8-171.5-110.6 115.1 -45.8 19.2 8.9 8 9 A V - 0 0 0 19,-1.6 23,-0.5 -2,-0.6 88,-0.1 -0.756 2.6-172.6-105.4 153.0 -45.8 17.8 5.4 9 10 A T - 0 0 26 3,-0.6 86,-0.5 -2,-0.3 23,-0.1 -0.945 37.2-128.2-141.0 159.4 -48.6 18.0 2.9 10 11 A P S S+ 0 0 30 0, 0.0 83,-0.2 0, 0.0 -1,-0.1 0.760 102.2 77.3 -76.6 -21.6 -49.6 16.6 -0.5 11 12 A E S S- 0 0 169 20,-0.2 -3,-0.0 1,-0.1 0, 0.0 0.960 112.2 -24.3 -45.7 -80.5 -50.2 20.3 -1.4 12 13 A Q S S- 0 0 131 83,-0.1 -3,-0.6 1,-0.0 83,-0.2 -0.777 77.9 -81.6-131.5 175.0 -46.6 21.4 -1.9 13 14 A P - 0 0 53 0, 0.0 2,-0.4 0, 0.0 83,-0.2 -0.500 38.1-134.6 -81.8 154.1 -43.1 20.4 -0.7 14 15 A T E -d 96 0B 34 81,-2.8 83,-2.8 -2,-0.2 2,-0.4 -0.883 11.1-158.3-110.2 136.9 -41.8 21.4 2.7 15 16 A H E +d 97 0B 130 -2,-0.4 2,-0.3 81,-0.2 83,-0.2 -0.889 24.9 157.9-109.8 143.2 -38.3 22.8 3.3 16 17 A A E -d 98 0B 23 81,-2.0 83,-1.3 -2,-0.4 2,-0.3 -0.986 34.4-125.8-164.4 156.2 -36.8 22.6 6.7 17 18 A V E -d 99 0B 24 -2,-0.3 2,-0.4 81,-0.2 83,-0.2 -0.729 16.6-164.4-104.5 153.4 -33.6 22.5 8.8 18 19 A C E -d 100 0B 6 81,-2.0 83,-1.8 -2,-0.3 2,-0.4 -0.981 12.9-143.2-139.8 123.0 -32.5 19.9 11.2 19 20 A V E > -d 101 0B 7 -2,-0.4 3,-1.6 81,-0.2 2,-0.3 -0.726 30.3-109.0 -88.3 135.5 -29.8 20.5 13.7 20 21 A L T 3 S+ 0 0 46 81,-2.9 83,-0.4 -2,-0.4 3,-0.1 -0.497 104.6 32.9 -65.5 125.8 -27.6 17.4 14.4 21 22 A G T 3 S+ 0 0 67 1,-0.4 -19,-0.5 -2,-0.3 2,-0.3 0.330 97.7 102.8 110.3 -1.8 -28.4 16.1 17.9 22 23 A T S < S- 0 0 29 -3,-1.6 2,-0.7 -21,-0.2 -1,-0.4 -0.711 73.3-111.7-113.0 163.7 -32.0 17.0 18.0 23 24 A L E -a 3 0A 41 -21,-1.5 2,-0.8 -2,-0.3 -19,-0.7 -0.832 26.4-163.1 -97.4 116.0 -35.2 15.0 17.7 24 25 A T E -aB 4 66A 4 42,-1.4 42,-3.2 -2,-0.7 -19,-0.2 -0.853 8.0-167.0-103.7 106.3 -37.2 15.8 14.5 25 26 A Q E -aB 5 65A 81 -21,-3.6 -19,-3.1 -2,-0.8 2,-0.4 -0.563 9.2-142.7 -87.5 154.5 -40.8 14.6 14.8 26 27 A L E -a 6 0A 12 38,-2.0 2,-0.8 -21,-0.3 38,-0.5 -0.970 4.2-151.9-127.1 124.9 -43.0 14.4 11.7 27 28 A D E +a 7 0A 34 -21,-4.0 -19,-1.6 -2,-0.4 4,-0.2 -0.828 24.7 163.7 -95.8 111.6 -46.7 15.2 11.4 28 29 A I + 0 0 5 -2,-0.8 3,-0.4 -21,-0.1 -1,-0.2 0.809 65.9 50.7 -98.0 -34.3 -48.2 13.2 8.6 29 30 A C S > S+ 0 0 30 1,-0.2 3,-2.5 2,-0.1 -1,-0.1 0.828 82.7 91.0 -75.8 -33.7 -52.0 13.2 9.1 30 31 A S T 3 S+ 0 0 66 1,-0.3 -1,-0.2 -21,-0.0 -2,-0.1 0.745 109.8 10.5 -30.4 -52.0 -52.5 17.0 9.5 31 32 A S T 3 S+ 0 0 71 -23,-0.5 -1,-0.3 -3,-0.4 -20,-0.2 -0.001 98.0 134.8-125.6 31.6 -53.1 17.7 5.8 32 33 A A < 0 0 29 -3,-2.5 -3,-0.1 -23,-0.1 -23,-0.0 -0.268 360.0 360.0 -74.0 163.1 -53.5 14.1 4.5 33 34 A P 0 0 102 0, 0.0 -1,-0.1 0, 0.0 -4,-0.1 0.243 360.0 360.0 -62.0 360.0 -56.3 13.1 2.1 34 ! 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 35 37 A C 0 0 52 0, 0.0 51,-0.3 0, 0.0 3,-0.1 0.000 360.0 360.0 360.0 128.7 -56.8 7.1 1.4 36 38 A T + 0 0 78 49,-0.9 2,-0.3 1,-0.2 50,-0.2 0.570 360.0 41.3-135.3 -26.0 -56.0 5.2 4.6 37 39 A S E -E 85 0B 30 48,-2.4 48,-1.9 20,-0.1 2,-0.3 -0.796 57.2-161.0-125.6 170.1 -52.3 4.2 4.8 38 40 A F E -E 84 0B 2 18,-2.7 2,-0.3 19,-0.4 46,-0.2 -0.954 6.9-146.5-146.9 163.5 -49.0 5.8 4.0 39 41 A S E -E 83 0B 33 44,-2.2 44,-2.7 -2,-0.3 2,-0.5 -0.995 9.6-146.7-135.7 140.5 -45.3 4.8 3.3 40 42 A I E +E 82 0B 35 -2,-0.3 2,-0.4 15,-0.2 42,-0.2 -0.933 23.3 162.5-115.1 121.4 -42.1 6.6 4.1 41 43 A N E +E 81 0B 109 40,-2.0 40,-3.3 -2,-0.5 2,-0.3 -0.995 12.4 158.2-134.4 137.2 -39.0 6.5 1.9 42 44 A A E -E 80 0B 26 -2,-0.4 38,-0.2 38,-0.2 6,-0.1 -0.979 40.5 -59.3-156.0 167.4 -36.1 8.9 2.0 43 45 A S > - 0 0 24 36,-1.7 3,-1.5 -2,-0.3 -1,-0.1 0.143 53.3-105.6 -43.8 158.9 -32.4 9.7 1.2 44 46 A P T 3 S+ 0 0 115 0, 0.0 -1,-0.1 0, 0.0 34,-0.1 0.826 116.6 60.8 -60.0 -34.4 -29.6 7.5 2.7 45 47 A G T 3 S+ 0 0 16 32,-0.1 24,-1.8 1,-0.1 2,-0.6 0.500 92.5 78.7 -74.3 -3.8 -28.5 10.2 5.2 46 48 A V B < -G 68 0C 11 -3,-1.5 2,-1.2 22,-0.2 22,-0.2 -0.924 64.9-158.6-113.1 114.4 -32.0 10.1 6.9 47 49 A V - 0 0 72 20,-2.1 2,-1.2 -2,-0.6 20,-0.4 -0.742 11.9-160.8 -92.0 95.0 -32.8 7.3 9.3 48 50 A V + 0 0 26 -2,-1.2 2,-0.4 18,-0.2 18,-0.2 -0.633 14.9 177.4 -80.8 94.6 -36.6 7.2 9.3 49 51 A D E +C 65 0A 111 16,-1.5 16,-2.4 -2,-1.2 2,-0.3 -0.827 3.8 170.6-100.9 137.3 -37.5 5.3 12.5 50 52 A I E -C 64 0A 12 -2,-0.4 2,-0.3 14,-0.2 14,-0.2 -0.994 11.2-177.5-146.6 150.2 -41.2 4.9 13.4 51 53 A A E C 63 0A 52 12,-1.5 12,-2.6 -2,-0.3 4,-0.1 -0.865 360.0 360.0-138.6 171.4 -43.4 3.1 15.9 52 54 A H 0 0 177 -2,-0.3 10,-0.2 10,-0.2 -2,-0.0 -0.348 360.0 360.0 -65.7 360.0 -47.1 2.6 16.8 53 ! 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 54 66 A S 0 0 84 0, 0.0 2,-0.2 0, 0.0 -3,-0.1 0.000 360.0 360.0 360.0 90.8 -41.8 1.9 10.0 55 67 A T - 0 0 25 -4,-0.1 -15,-0.2 1,-0.1 -4,-0.0 -0.481 360.0-144.1 -99.8 174.2 -45.6 1.2 10.0 56 68 A W + 0 0 128 -2,-0.2 -18,-2.7 -17,-0.1 -1,-0.1 0.687 61.2 101.4-110.9 -24.7 -48.2 1.7 7.4 57 69 A P - 0 0 63 0, 0.0 -19,-0.4 0, 0.0 -20,-0.1 0.264 69.2-127.3 -50.7-176.6 -51.5 2.9 9.1 58 70 A L + 0 0 53 -21,-0.1 -21,-0.1 -22,-0.1 -2,-0.0 -0.139 55.1 143.1-129.4 35.3 -52.7 6.5 9.2 59 71 A D > - 0 0 95 1,-0.1 3,-2.1 2,-0.0 -30,-0.1 -0.608 53.1-140.0 -79.8 131.3 -53.1 6.7 13.0 60 72 A P T 3 S+ 0 0 112 0, 0.0 -1,-0.1 0, 0.0 -30,-0.0 0.304 102.3 69.8 -73.7 14.7 -52.2 10.1 14.5 61 73 A G T 3 S+ 0 0 41 2,-0.0 2,-0.2 0, 0.0 -10,-0.1 0.359 73.4 108.2-107.9 -2.0 -50.7 8.0 17.3 62 74 A V < - 0 0 25 -3,-2.1 2,-0.7 -10,-0.2 -10,-0.2 -0.552 65.4-139.1 -76.3 141.2 -47.9 6.8 15.0 63 75 A E E + C 0 51A 116 -12,-2.6 -12,-1.5 -2,-0.2 2,-0.7 -0.879 21.9 178.7-111.3 106.1 -44.5 8.2 15.8 64 76 A V E + C 0 50A 4 -2,-0.7 -38,-2.0 -38,-0.5 2,-0.4 -0.883 9.6 174.1-107.9 103.7 -42.4 9.2 12.8 65 77 A T E -BC 25 49A 18 -16,-2.4 -16,-1.5 -2,-0.7 2,-0.3 -0.886 15.1-154.6-112.3 142.2 -39.0 10.6 13.9 66 78 A L E -B 24 0A 1 -42,-3.2 -42,-1.4 -2,-0.4 2,-0.4 -0.864 8.5-174.5-113.6 148.0 -36.1 11.6 11.6 67 79 A T - 0 0 62 -20,-0.4 -20,-2.1 -2,-0.3 2,-0.3 -0.989 17.3-141.1-140.0 130.4 -32.5 11.8 12.5 68 80 A M B -G 46 0C 26 -2,-0.4 -47,-0.2 -22,-0.2 -22,-0.2 -0.671 1.6-150.7 -91.3 152.0 -29.8 13.0 10.1 69 81 A K S S- 0 0 147 -24,-1.8 2,-0.3 -2,-0.3 -1,-0.1 0.645 70.4 -4.1 -95.7 -16.5 -26.5 11.4 10.0 70 82 A A S S- 0 0 59 -25,-0.3 30,-0.3 31,-0.0 -1,-0.3 -0.964 81.1 -72.2-174.6 155.6 -24.5 14.4 9.0 71 83 A A - 0 0 20 -2,-0.3 30,-0.2 -3,-0.1 87,-0.1 -0.198 56.5-119.3 -47.6 131.9 -24.2 18.1 7.9 72 84 A S - 0 0 10 28,-2.8 3,-0.1 85,-0.2 -1,-0.1 -0.294 6.6-137.9 -72.4 163.1 -25.5 18.5 4.4 73 85 A G S S+ 0 0 61 1,-0.2 87,-0.6 86,-0.1 2,-0.3 0.768 85.6 5.4 -91.0 -31.4 -23.2 19.7 1.6 74 86 A S S > S- 0 0 63 85,-0.2 3,-0.8 86,-0.1 2,-0.3 -0.836 101.1 -68.0-140.4 175.8 -25.8 22.0 0.1 75 87 A T T 3 S+ 0 0 70 -2,-0.3 24,-0.1 1,-0.2 23,-0.1 -0.546 116.6 10.8 -74.1 131.5 -29.4 23.1 1.0 76 88 A G T 3 S+ 0 0 23 -2,-0.3 -1,-0.2 -60,-0.2 23,-0.2 0.876 74.1 149.1 72.8 40.3 -31.9 20.2 0.6 77 89 A D < + 0 0 47 -3,-0.8 2,-0.4 21,-0.4 22,-0.1 0.749 62.2 57.4 -74.5 -27.2 -29.4 17.3 0.2 78 90 A Q E - F 0 98B 30 20,-1.4 20,-1.8 -35,-0.1 2,-0.3 -0.853 69.3-165.1-109.2 143.2 -31.8 14.9 1.9 79 91 A K E - F 0 97B 113 -2,-0.4 -36,-1.7 18,-0.2 2,-0.4 -0.863 9.6-163.4-123.0 158.0 -35.3 14.2 0.8 80 92 A V E -EF 42 96B 2 16,-1.2 16,-1.3 -2,-0.3 2,-0.5 -0.950 11.3-160.6-142.6 116.5 -38.2 12.5 2.5 81 93 A Q E -EF 41 95B 66 -40,-3.3 -40,-2.0 -2,-0.4 2,-0.7 -0.897 1.6-159.4-104.7 127.1 -41.1 11.3 0.3 82 94 A I E -EF 40 94B 0 12,-3.1 12,-3.7 -2,-0.5 2,-0.7 -0.911 6.8-161.1-108.7 108.4 -44.4 10.6 1.9 83 95 A S E -EF 39 93B 18 -44,-2.7 -44,-2.2 -2,-0.7 2,-0.7 -0.806 1.8-162.3 -93.5 117.1 -46.6 8.3 -0.2 84 96 A Y E +E 38 0B 4 8,-2.9 2,-0.3 -2,-0.7 -46,-0.2 -0.886 24.0 155.7-100.9 111.4 -50.3 8.5 0.7 85 97 A Y E +E 37 0B 76 -48,-1.9 -48,-2.4 -2,-0.7 -49,-0.9 -0.916 3.0 141.8-132.6 160.3 -52.3 5.5 -0.6 86 98 A G + 0 0 17 3,-0.9 3,-0.4 -2,-0.3 -48,-0.0 -0.518 51.5 5.1-156.1-135.0 -55.5 3.7 0.3 87 99 A P S S- 0 0 86 0, 0.0 -2,-0.0 0, 0.0 0, 0.0 0.853 124.3 -28.7 -30.6 -94.9 -58.7 1.9 -1.0 88 100 A K S S+ 0 0 199 -3,-0.0 -3,-0.0 0, 0.0 0, 0.0 -0.392 117.8 91.4-130.5 50.8 -58.4 1.6 -4.8 89 101 A T - 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