==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=5-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER IMMUNE SYSTEM 16-DEC-08 2W60 . COMPND 2 MOLECULE: ANTI-CITRULLINATED COLLAGEN TYPE II FAB ACC4; . SOURCE 2 ORGANISM_SCIENTIFIC: MUS MUSCULUS; . AUTHOR H.UYSAL,R.BOCKERMANN,K.S.NANDAKUMAR,B.SEHNERT,E.BAJTNER, . 434 3 4 3 1 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 20226.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 275 63.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 9 2.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 167 38.5 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 5 1.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 0.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 2 0.5 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 . 46 10.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 31 7.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 10 2.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 0.9 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 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 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 0 PARALLEL BRIDGES PER LADDER . 6 4 5 3 3 11 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 1 6 0 0 2 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 1 A Q 0 0 175 0, 0.0 2,-0.5 0, 0.0 26,-0.1 0.000 360.0 360.0 360.0 -57.1 -16.8 9.5 -25.1 2 2 A I + 0 0 46 24,-0.1 2,-0.4 22,-0.1 24,-0.2 -0.729 360.0 172.2 -70.0 123.5 -15.5 5.9 -24.9 3 3 A Q E -A 25 0A 103 22,-2.3 22,-1.9 -2,-0.5 2,-0.5 -0.999 33.5-166.3-142.0 142.4 -17.8 4.4 -22.2 4 4 A L E -A 24 0A 12 104,-0.4 2,-0.5 -2,-0.4 106,-0.5 -0.992 17.0-169.2-118.7 119.9 -18.6 1.0 -20.7 5 5 A V E -A 23 0A 74 18,-2.8 18,-3.0 -2,-0.5 2,-0.2 -0.934 6.2-156.5-116.4 123.0 -21.8 1.0 -18.6 6 6 A Q E -A 22 0A 8 -2,-0.5 16,-0.2 16,-0.2 89,-0.0 -0.614 21.9-102.9-101.5 154.5 -22.5 -2.0 -16.4 7 7 A S - 0 0 30 14,-1.8 -1,-0.1 -2,-0.2 3,-0.1 -0.179 47.9 -88.2 -69.2 166.3 -25.9 -3.2 -15.1 8 8 A G - 0 0 43 1,-0.2 -1,-0.1 104,-0.1 13,-0.1 -0.076 57.6 -62.7 -76.7 176.8 -27.0 -2.6 -11.5 9 9 A P - 0 0 104 0, 0.0 2,-0.4 0, 0.0 105,-0.2 -0.143 47.7-152.2 -61.1 148.8 -26.4 -4.7 -8.4 10 10 A E E -d 114 0B 60 103,-2.5 105,-2.7 -3,-0.1 2,-0.5 -0.979 8.7-161.9-126.6 137.6 -27.8 -8.3 -8.1 11 11 A L E +d 115 0B 97 -2,-0.4 2,-0.3 103,-0.2 105,-0.2 -0.988 24.7 167.7-116.5 123.2 -28.8 -10.3 -5.0 12 12 A K E -d 116 0B 62 103,-2.8 105,-2.5 -2,-0.5 3,-0.1 -0.922 32.2-117.5-134.4 157.2 -29.0 -14.0 -5.6 13 13 A K > - 0 0 103 -2,-0.3 3,-2.0 103,-0.2 73,-0.2 -0.597 48.5 -83.4 -89.2 152.6 -29.3 -17.2 -3.6 14 14 A P T 3 S+ 0 0 62 0, 0.0 73,-0.2 0, 0.0 -1,-0.1 -0.290 117.6 25.7 -53.6 138.3 -26.7 -19.9 -3.6 15 15 A G T 3 S+ 0 0 43 71,-2.7 70,-0.5 1,-0.3 72,-0.1 0.250 99.4 113.2 89.3 -9.8 -27.2 -22.3 -6.6 16 16 A E < - 0 0 79 -3,-2.0 70,-2.8 69,-0.2 2,-0.3 -0.142 64.3-115.5 -83.5 178.5 -28.9 -19.6 -8.7 17 17 A T - 0 0 60 67,-0.2 2,-0.4 68,-0.2 67,-0.2 -0.900 22.7-168.3-115.1 149.1 -27.7 -17.9 -11.9 18 18 A V E - B 0 83A 4 65,-2.2 65,-2.6 -2,-0.3 2,-0.4 -0.992 3.6-166.9-134.5 144.1 -26.9 -14.3 -12.6 19 19 A K E - B 0 82A 102 -2,-0.4 2,-0.3 63,-0.2 63,-0.3 -0.975 9.8-172.7-131.9 123.9 -26.3 -12.5 -15.8 20 20 A I E - B 0 81A 2 61,-2.8 61,-2.4 -2,-0.4 2,-0.3 -0.834 10.9-139.3-119.0 152.0 -24.8 -9.0 -15.9 21 21 A S E - B 0 80A 34 -2,-0.3 -14,-1.8 59,-0.2 2,-0.4 -0.772 12.7-165.6-118.6 156.2 -24.3 -6.7 -18.8 22 22 A a E -AB 6 79A 0 57,-2.2 57,-2.6 -2,-0.3 2,-0.5 -0.907 15.7-163.8-139.1 99.8 -21.6 -4.3 -20.1 23 23 A K E -AB 5 78A 121 -18,-3.0 -18,-2.8 -2,-0.4 2,-0.2 -0.808 8.1-157.2 -96.5 124.0 -22.9 -1.9 -22.7 24 24 A A E +A 4 0A 6 53,-3.1 2,-0.3 -2,-0.5 -20,-0.2 -0.633 16.4 166.6 -97.4 153.6 -20.3 -0.1 -24.8 25 25 A S E +A 3 0A 53 -22,-1.9 -22,-2.3 -2,-0.2 3,-0.1 -0.984 48.0 54.5-154.4 164.6 -20.5 3.1 -26.7 26 26 A G S S+ 0 0 39 -2,-0.3 2,-0.3 -24,-0.2 -24,-0.1 0.487 103.9 42.2 91.8 3.0 -18.2 5.7 -28.4 27 27 A Y S S- 0 0 40 -24,-0.1 2,-0.8 -26,-0.1 -1,-0.2 -0.951 100.5 -68.0-163.6 176.7 -16.4 3.2 -30.6 28 28 A T > - 0 0 78 -2,-0.3 3,-1.9 1,-0.2 4,-0.4 -0.685 42.8-154.8 -81.6 108.4 -16.7 0.2 -32.9 29 29 A F G > S+ 0 0 7 -2,-0.8 3,-0.9 1,-0.3 -1,-0.2 0.825 87.8 53.4 -55.6 -40.5 -17.7 -2.6 -30.5 30 30 A T G 3 S+ 0 0 53 1,-0.2 -1,-0.3 44,-0.1 -2,-0.0 0.440 94.7 72.2 -84.6 4.3 -16.3 -5.5 -32.6 31 31 A D G < S+ 0 0 83 -3,-1.9 2,-0.4 1,-0.1 -1,-0.2 0.710 97.3 42.5 -89.5 -19.6 -12.8 -3.9 -32.9 32 32 A Y S < S- 0 0 79 -3,-0.9 -1,-0.1 -4,-0.4 68,-0.1 -0.961 81.6-112.5-133.7 142.6 -11.6 -4.5 -29.4 33 33 A S - 0 0 30 -2,-0.4 66,-2.3 19,-0.1 2,-0.5 -0.334 23.7-134.5 -69.9 155.2 -11.7 -7.3 -26.9 34 34 A I E -EF 51 98B 0 17,-1.9 17,-2.6 64,-0.2 2,-0.3 -0.956 20.8-162.0-111.3 129.0 -13.7 -7.1 -23.6 35 35 A H E -EF 50 97B 8 62,-3.3 62,-2.2 -2,-0.5 2,-0.4 -0.795 6.0-145.2-108.1 153.1 -12.0 -8.3 -20.5 36 36 A W E -EF 49 96B 0 13,-2.2 12,-3.1 -2,-0.3 13,-0.9 -0.956 13.8-173.9-123.9 141.0 -13.6 -9.3 -17.1 37 37 A V E -EF 47 95B 0 58,-2.5 58,-3.1 -2,-0.4 2,-0.4 -0.997 10.6-148.8-135.3 136.0 -12.1 -8.7 -13.7 38 38 A K E -EF 46 94B 32 8,-2.9 8,-1.9 -2,-0.4 2,-0.4 -0.845 10.4-176.0-107.6 139.7 -13.3 -9.8 -10.3 39 39 A Q E - F 0 93B 22 54,-2.3 54,-2.7 -2,-0.4 6,-0.1 -0.875 15.0-150.8-135.0 105.0 -12.8 -8.0 -7.0 40 40 A A > - 0 0 31 4,-0.4 3,-2.6 -2,-0.4 52,-0.2 -0.392 49.5 -72.3 -63.8 152.9 -13.9 -9.7 -3.9 41 41 A P T 3 S- 0 0 85 0, 0.0 -1,-0.2 0, 0.0 3,-0.1 -0.210 118.7 -2.1 -56.0 123.9 -15.0 -7.3 -1.1 42 42 A G T 3 S+ 0 0 88 1,-0.2 2,-0.1 -3,-0.1 -2,-0.1 0.498 116.1 103.4 72.9 8.7 -11.9 -5.6 0.4 43 43 A K S < S- 0 0 143 -3,-2.6 -1,-0.2 1,-0.2 281,-0.0 -0.377 70.7 -91.5-110.7-173.7 -9.6 -7.6 -1.8 44 44 A G - 0 0 30 -2,-0.1 -4,-0.4 1,-0.1 2,-0.4 0.024 47.6 -76.6 -87.5-165.4 -7.5 -7.0 -5.0 45 45 A L - 0 0 14 278,-0.4 2,-0.4 -6,-0.1 277,-0.3 -0.798 37.9-172.5-103.7 140.0 -8.1 -7.5 -8.7 46 46 A K E -E 38 0B 97 -8,-1.9 -8,-2.9 -2,-0.4 2,-0.2 -0.993 22.3-128.6-137.2 124.3 -8.1 -10.8 -10.4 47 47 A W E -E 37 0B 15 -2,-0.4 -10,-0.2 273,-0.3 3,-0.1 -0.542 19.1-173.8 -75.8 131.3 -8.4 -11.3 -14.2 48 48 A M E - 0 0 0 -12,-3.1 13,-2.0 1,-0.4 2,-0.3 0.685 46.8 -96.2 -94.2 -27.8 -11.1 -13.7 -15.4 49 49 A G E -EG 36 60B 0 -13,-0.9 -13,-2.2 11,-0.3 -1,-0.4 -0.925 38.3 -96.3 135.5-164.8 -10.4 -13.8 -19.1 50 50 A W E -EG 35 59B 66 9,-2.1 9,-2.8 -2,-0.3 2,-0.4 -0.957 11.8-131.7-148.7 163.8 -11.7 -12.1 -22.2 51 51 A I E -EG 34 58B 1 -17,-2.6 -17,-1.9 -2,-0.3 2,-0.6 -0.988 23.1-129.9-121.4 134.2 -14.1 -12.4 -25.1 52 52 A N > - 0 0 50 5,-2.3 4,-2.1 -2,-0.4 -19,-0.1 -0.750 15.5-156.0 -78.3 119.3 -13.1 -11.8 -28.7 53 53 A T T 4 S+ 0 0 3 -2,-0.6 -1,-0.1 1,-0.2 -22,-0.1 0.546 88.7 48.8 -83.8 -3.8 -15.7 -9.4 -30.0 54 54 A E T 4 S+ 0 0 137 3,-0.1 -1,-0.2 -23,-0.1 -24,-0.1 0.860 126.0 23.0 -92.2 -46.3 -15.1 -10.4 -33.6 55 55 A T T 4 S- 0 0 96 2,-0.1 -2,-0.2 -25,-0.0 -25,-0.0 0.666 94.1-132.2 -95.1 -23.8 -15.2 -14.2 -33.3 56 56 A G < + 0 0 29 -4,-2.1 -3,-0.1 1,-0.3 16,-0.1 0.388 54.1 148.6 82.4 2.6 -17.2 -14.4 -30.1 57 57 A E - 0 0 125 -6,-0.1 -5,-2.3 -5,-0.0 2,-0.3 -0.504 33.6-154.2 -74.5 120.6 -14.7 -16.9 -28.7 58 58 A P E -G 51 0B 44 0, 0.0 2,-0.4 0, 0.0 -7,-0.2 -0.748 6.7-164.6 -93.6 147.2 -14.4 -16.6 -24.9 59 59 A T E -G 50 0B 41 -9,-2.8 -9,-2.1 -2,-0.3 2,-0.4 -0.996 5.8-165.7-130.9 127.0 -11.3 -17.6 -23.0 60 60 A Y E -G 49 0B 58 -2,-0.4 -11,-0.3 -11,-0.2 5,-0.1 -0.883 23.4-118.8-111.1 141.3 -11.2 -18.1 -19.2 61 61 A T > - 0 0 12 -13,-2.0 3,-1.8 -2,-0.4 -1,-0.0 -0.315 42.9-102.3 -61.3 159.7 -8.3 -18.4 -16.8 62 62 A D G > S+ 0 0 125 1,-0.3 3,-1.4 2,-0.2 -1,-0.1 0.845 122.4 64.4 -60.3 -28.0 -8.4 -21.8 -15.1 63 63 A D G 3 S+ 0 0 101 1,-0.3 -1,-0.3 3,-0.0 -15,-0.1 0.761 108.0 42.2 -63.5 -25.7 -9.8 -20.2 -12.0 64 64 A F G < S+ 0 0 7 -3,-1.8 4,-0.4 -16,-0.2 -1,-0.3 0.086 84.3 119.5-115.3 28.2 -12.9 -19.3 -14.0 65 65 A K < + 0 0 127 -3,-1.4 2,-1.6 2,-0.1 4,-0.1 -0.331 68.1 23.4 -77.2 163.6 -13.5 -22.5 -15.9 66 66 A G S S+ 0 0 73 1,-0.2 -1,-0.1 2,-0.1 -2,-0.1 -0.564 120.9 36.9 94.4 -84.0 -16.8 -24.3 -15.4 67 67 A R S S+ 0 0 49 -2,-1.6 17,-2.5 17,-0.1 2,-0.4 0.368 97.0 87.1 -94.7 4.6 -19.5 -21.9 -14.1 68 68 A F E -C 83 0A 14 -4,-0.4 2,-0.4 15,-0.2 15,-0.2 -0.878 48.9-176.2-114.9 135.8 -18.6 -18.7 -16.0 69 69 A A E -C 82 0A 35 13,-2.6 13,-2.8 -2,-0.4 2,-0.4 -0.967 9.0-162.0-135.1 119.5 -19.9 -17.7 -19.5 70 70 A F E +C 81 0A 9 -2,-0.4 2,-0.3 11,-0.2 11,-0.2 -0.811 24.0 166.0 -90.5 136.7 -18.9 -14.6 -21.5 71 71 A S E -C 80 0A 38 9,-2.2 9,-2.8 -2,-0.4 2,-0.3 -0.920 21.3-139.5-143.5 174.4 -21.2 -13.7 -24.3 72 72 A L E -C 79 0A 39 -2,-0.3 2,-0.3 7,-0.2 7,-0.2 -0.948 18.8-166.8-131.0 151.6 -22.1 -10.9 -26.7 73 73 A E E > > -C 78 0A 94 5,-2.8 5,-1.9 -2,-0.3 3,-1.6 -0.807 24.8-179.7-121.5 88.3 -25.0 -9.1 -28.3 74 74 A S G > 5S+ 0 0 47 -2,-0.3 3,-1.5 1,-0.3 -45,-0.1 0.828 74.1 62.1 -64.0 -30.7 -22.9 -7.4 -30.9 75 75 A S G 3 5S+ 0 0 106 1,-0.3 -1,-0.3 2,-0.1 -46,-0.0 0.719 112.5 39.4 -65.7 -18.1 -25.8 -5.6 -32.5 76 76 A A G < 5S- 0 0 40 -3,-1.6 -1,-0.3 2,-0.2 -2,-0.2 0.243 110.6-122.9-114.7 9.2 -26.4 -3.9 -29.2 77 77 A S T < 5 + 0 0 37 -3,-1.5 -53,-3.1 1,-0.2 2,-0.4 0.858 66.2 140.4 53.8 40.0 -22.7 -3.4 -28.4 78 78 A T E < -BC 23 73A 7 -5,-1.9 -5,-2.8 -55,-0.2 2,-0.4 -0.945 39.7-162.9-124.0 135.6 -23.1 -5.4 -25.2 79 79 A A E -BC 22 72A 0 -57,-2.6 -57,-2.2 -2,-0.4 2,-0.3 -0.890 14.5-158.9-109.6 146.8 -21.0 -8.0 -23.5 80 80 A F E -BC 21 71A 47 -9,-2.8 -9,-2.2 -2,-0.4 2,-0.4 -0.937 13.3-159.1-127.2 148.7 -22.4 -10.3 -20.8 81 81 A L E -BC 20 70A 0 -61,-2.4 -61,-2.8 -2,-0.3 2,-0.4 -0.992 14.0-170.4-121.7 122.7 -21.1 -12.3 -17.9 82 82 A Q E -BC 19 69A 57 -13,-2.8 -13,-2.6 -2,-0.4 2,-0.5 -0.928 4.5-163.1-111.0 136.7 -23.2 -15.2 -16.7 83 83 A I E -BC 18 68A 1 -65,-2.6 -65,-2.2 -2,-0.4 3,-0.3 -0.988 9.8-160.9-120.6 125.5 -22.4 -17.1 -13.5 84 84 A N + 0 0 50 -17,-2.5 -67,-0.2 -2,-0.5 -68,-0.1 -0.687 66.4 16.1-101.8 158.3 -24.1 -20.4 -12.9 85 85 A N S S- 0 0 84 -70,-0.5 -1,-0.2 -2,-0.3 -68,-0.2 0.913 90.4-139.7 46.1 56.7 -24.5 -22.4 -9.7 86 86 A L - 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