==== 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 17-DEC-08 2W65 . 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, . 871 9 8 8 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 39651.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 546 62.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 18 2.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 335 38.5 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 8 0.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 5 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 7 0.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.1 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 . 86 9.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 62 7.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 21 2.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 7 0.8 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 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 0 RESIDUES PER ALPHA HELIX . 0 0 2 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 0 0 PARALLEL BRIDGES PER LADDER . 8 11 6 9 8 17 0 0 2 2 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 9 2 0 4 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 0 181 0, 0.0 2,-0.7 0, 0.0 26,-0.1 0.000 360.0 360.0 360.0 -41.6 23.8 -6.5 30.8 2 2 A I + 0 0 48 24,-0.1 2,-0.3 22,-0.1 24,-0.2 -0.722 360.0 153.7 -81.7 111.5 21.4 -7.6 27.9 3 3 A Q E -A 25 0A 111 22,-1.7 22,-2.5 -2,-0.7 2,-0.4 -0.979 33.3-161.3-141.3 151.0 19.5 -4.5 26.8 4 4 A L E -A 24 0A 9 104,-0.4 2,-0.5 -2,-0.3 106,-0.5 -0.985 15.5-165.9-132.2 113.5 17.8 -3.3 23.6 5 5 A V E -A 23 0A 75 18,-2.3 18,-2.6 -2,-0.4 2,-0.2 -0.930 6.6-155.4-110.4 123.6 17.1 0.5 23.5 6 6 A Q E -A 22 0A 10 -2,-0.5 16,-0.2 16,-0.2 89,-0.0 -0.514 23.4 -96.0 -95.8 162.5 14.8 1.9 20.9 7 7 A S - 0 0 29 14,-1.5 -1,-0.1 -2,-0.2 3,-0.1 -0.197 51.2 -86.0 -69.5 166.2 14.6 5.4 19.4 8 8 A G - 0 0 42 1,-0.2 -1,-0.1 104,-0.1 13,-0.1 -0.023 56.5 -61.8 -71.9 177.2 12.2 8.1 20.6 9 9 A P - 0 0 110 0, 0.0 2,-0.4 0, 0.0 105,-0.2 -0.202 50.0-152.3 -60.6 145.7 8.5 8.9 19.9 10 10 A E E -d 114 0B 60 103,-2.6 105,-2.4 -3,-0.1 2,-0.5 -0.978 14.0-166.2-129.2 135.5 7.5 9.9 16.4 11 11 A L E +d 115 0B 90 -2,-0.4 2,-0.3 103,-0.2 105,-0.2 -0.988 26.0 166.9-117.6 118.3 4.7 12.1 15.0 12 12 A K E -d 116 0B 59 103,-2.6 105,-2.9 -2,-0.5 6,-0.1 -0.904 30.0-126.1-132.7 159.4 4.2 11.6 11.2 13 13 A K > - 0 0 99 -2,-0.3 3,-1.9 103,-0.2 73,-0.2 -0.739 45.8 -80.2-102.5 153.8 1.6 12.5 8.6 14 14 A P T 3 S+ 0 0 59 0, 0.0 73,-0.2 0, 0.0 -1,-0.1 -0.195 116.5 25.3 -52.2 139.0 -0.1 10.1 6.2 15 15 A G T 3 S+ 0 0 45 71,-2.8 70,-0.5 1,-0.3 72,-0.1 0.239 98.9 111.9 90.8 -13.8 2.1 9.2 3.2 16 16 A E < - 0 0 81 -3,-1.9 70,-2.9 69,-0.2 -1,-0.3 -0.201 62.7-121.4 -83.4 178.1 5.4 10.0 5.0 17 17 A T - 0 0 60 68,-0.2 2,-0.3 67,-0.2 67,-0.2 -0.865 19.8-167.2-119.7 154.7 8.1 7.5 6.0 18 18 A V E - B 0 83A 5 65,-1.7 65,-2.0 -2,-0.3 2,-0.4 -0.997 5.3-164.8-140.7 143.8 9.5 6.7 9.4 19 19 A K E - B 0 82A 105 -2,-0.3 2,-0.3 63,-0.2 63,-0.2 -0.971 11.0-172.9-133.0 117.9 12.7 4.7 10.5 20 20 A I E - B 0 81A 1 61,-2.6 61,-1.9 -2,-0.4 2,-0.2 -0.786 9.9-145.2-109.7 149.8 13.0 3.6 14.1 21 21 A S E - B 0 80A 37 -2,-0.3 -14,-1.5 59,-0.2 2,-0.3 -0.747 13.4-162.4-118.0 163.9 16.1 1.9 15.6 22 22 A a E -AB 6 79A 2 57,-1.8 57,-2.1 -2,-0.2 2,-0.6 -0.904 12.2-162.6-143.4 106.7 17.0 -0.7 18.2 23 23 A K E -AB 5 78A 123 -18,-2.6 -18,-2.3 -2,-0.3 2,-0.3 -0.869 11.1-151.8 -95.3 124.2 20.6 -0.7 19.6 24 24 A A E +A 4 0A 7 53,-2.8 2,-0.3 -2,-0.6 -20,-0.2 -0.751 16.2 177.7 -96.2 141.8 21.6 -3.9 21.3 25 25 A S E +A 3 0A 55 -22,-2.5 -22,-1.7 -2,-0.3 3,-0.1 -0.935 52.1 44.7-137.8 160.7 24.2 -4.1 24.1 26 26 A G S S+ 0 0 35 -2,-0.3 2,-0.3 -24,-0.2 -24,-0.1 0.298 102.7 49.9 92.7 -7.8 25.6 -6.9 26.3 27 27 A Y S S- 0 0 41 -24,-0.1 2,-0.9 -26,-0.1 -1,-0.2 -0.899 97.0 -77.8-150.4 174.4 26.1 -9.7 23.7 28 28 A T > - 0 0 91 -2,-0.3 3,-1.9 1,-0.2 4,-0.2 -0.771 45.6-148.3 -82.3 106.0 27.6 -10.5 20.3 29 29 A F G > S+ 0 0 9 -2,-0.9 3,-1.0 1,-0.3 -1,-0.2 0.764 89.1 56.9 -45.8 -43.3 24.9 -9.0 18.1 30 30 A T G 3 S+ 0 0 53 1,-0.2 -1,-0.3 44,-0.1 25,-0.0 0.428 91.1 77.4 -78.2 6.2 25.2 -11.4 15.1 31 31 A D G < S+ 0 0 71 -3,-1.9 2,-0.3 841,-0.2 -1,-0.2 0.638 95.5 36.5 -88.2 -16.7 24.5 -14.4 17.4 32 32 A Y S < S- 0 0 70 -3,-1.0 840,-0.2 840,-0.2 21,-0.2 -0.961 82.0 -99.2-140.9 156.9 20.7 -14.0 17.8 33 33 A S - 0 0 5 838,-1.5 66,-1.8 836,-0.4 2,-0.4 -0.402 23.7-142.2 -69.9 148.4 17.5 -13.0 15.9 34 34 A I E -EF 51 98B 1 17,-1.6 17,-2.7 64,-0.2 2,-0.3 -0.935 21.8-166.5-114.0 129.9 15.9 -9.6 16.1 35 35 A H E -EF 50 97B 0 62,-3.0 62,-2.0 -2,-0.4 2,-0.4 -0.829 11.0-144.0-117.6 155.8 12.0 -9.6 16.0 36 36 A W E -EF 49 96B 0 13,-2.4 12,-3.5 -2,-0.3 13,-0.9 -0.984 17.3-178.8-127.7 129.6 9.4 -6.9 15.5 37 37 A V E -EF 47 95B 0 58,-2.3 58,-2.8 -2,-0.4 2,-0.4 -0.994 12.9-148.1-133.4 134.8 6.0 -6.7 17.2 38 38 A K E -EF 46 94B 34 8,-2.7 8,-1.9 -2,-0.4 2,-0.4 -0.814 10.9-176.7-103.8 142.8 3.2 -4.2 17.0 39 39 A Q E - F 0 93B 26 54,-1.8 54,-2.7 -2,-0.4 6,-0.1 -0.912 15.1-152.6-138.1 104.2 0.7 -3.2 19.7 40 40 A A > - 0 0 30 4,-0.4 3,-2.4 -2,-0.4 52,-0.2 -0.477 50.5 -71.2 -70.3 151.1 -2.0 -0.7 18.6 41 41 A P T 3 S- 0 0 90 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 -0.173 117.4 -1.0 -57.4 123.7 -3.2 1.4 21.6 42 42 A G T 3 S+ 0 0 91 1,-0.3 2,-0.2 -3,-0.1 -2,-0.1 0.518 115.8 104.2 78.6 9.1 -5.2 -0.5 24.2 43 43 A K S < S- 0 0 140 -3,-2.4 -1,-0.3 1,-0.2 276,-0.0 -0.500 70.7 -91.2-113.4-179.1 -4.9 -3.7 22.1 44 44 A G - 0 0 32 -2,-0.2 -4,-0.4 1,-0.1 2,-0.3 0.086 48.8 -78.2 -78.4-167.1 -3.0 -7.1 22.0 45 45 A L - 0 0 16 273,-0.3 2,-0.4 -6,-0.1 272,-0.3 -0.740 33.7-171.7-105.7 145.8 0.3 -8.1 20.4 46 46 A K E -E 38 0B 89 -8,-1.9 -8,-2.7 -2,-0.3 2,-0.3 -0.952 20.8-133.5-142.5 120.5 1.1 -9.0 16.8 47 47 A W E -E 37 0B 6 -2,-0.4 -10,-0.3 268,-0.4 3,-0.1 -0.533 15.2-171.8 -73.5 126.1 4.4 -10.4 15.5 48 48 A M E - 0 0 0 -12,-3.5 13,-1.9 1,-0.4 2,-0.3 0.632 49.5 -95.9 -91.4 -20.7 5.6 -8.6 12.3 49 49 A G E -EG 36 60B 0 -13,-0.9 -13,-2.4 11,-0.2 -1,-0.4 -0.850 38.6 -98.8 132.7-166.4 8.5 -11.0 11.5 50 50 A W E -EG 35 59B 24 9,-1.3 9,-2.9 -2,-0.3 2,-0.3 -0.916 14.7-130.7-147.2 170.1 12.2 -11.2 12.2 51 51 A I E -EG 34 58B 2 -17,-2.7 -17,-1.6 -2,-0.3 2,-0.8 -0.961 22.1-123.5-129.5 143.9 15.6 -10.5 10.6 52 52 A N > - 0 0 38 5,-2.1 4,-2.9 -2,-0.3 5,-0.2 -0.794 17.4-158.2 -89.0 112.9 18.7 -12.7 10.5 53 53 A T T 4 S+ 0 0 4 -2,-0.8 -1,-0.1 1,-0.2 -22,-0.1 0.414 88.0 47.7 -73.1 -0.5 21.6 -10.8 12.1 54 54 A E T 4 S+ 0 0 102 3,-0.1 -1,-0.2 -23,-0.1 -24,-0.1 0.752 129.0 19.0-103.2 -45.1 24.3 -12.9 10.4 55 55 A T T 4 S- 0 0 97 2,-0.1 -2,-0.2 -25,-0.0 -25,-0.0 0.628 95.6-130.0 -98.9 -21.5 23.0 -12.9 6.8 56 56 A G < + 0 0 26 -4,-2.9 -3,-0.1 1,-0.3 14,-0.1 0.523 52.1 152.9 80.7 11.6 20.7 -9.9 7.1 57 57 A E - 0 0 127 -5,-0.2 -5,-2.1 -6,-0.1 2,-0.3 -0.580 32.1-147.1 -80.6 124.3 17.7 -11.8 5.5 58 58 A P E -G 51 0B 48 0, 0.0 2,-0.4 0, 0.0 -7,-0.2 -0.647 9.4-160.7 -93.6 148.0 14.2 -10.5 6.6 59 59 A T E -G 50 0B 20 -9,-2.9 -9,-1.3 -2,-0.3 2,-0.4 -0.998 11.9-168.7-125.8 124.4 11.0 -12.6 7.1 60 60 A Y E -G 49 0B 50 -2,-0.4 -11,-0.2 -11,-0.2 5,-0.1 -0.938 17.6-129.5-114.6 140.6 7.6 -10.7 7.1 61 61 A T > - 0 0 5 -13,-1.9 3,-1.8 -2,-0.4 4,-0.2 -0.309 41.9 -90.3 -80.3 167.0 4.2 -12.1 8.1 62 62 A D G > S+ 0 0 11 1,-0.3 3,-1.2 2,-0.2 682,-0.1 0.884 123.3 50.8 -43.9 -53.6 1.3 -11.6 5.7 63 63 A D G 3 S+ 0 0 55 1,-0.2 -1,-0.3 3,-0.0 -15,-0.1 0.525 112.6 46.5 -68.5 -8.6 0.0 -8.2 7.2 64 64 A F G < S+ 0 0 6 -3,-1.8 2,-0.7 -16,-0.2 4,-0.4 0.076 79.9 111.0-121.5 24.1 3.5 -6.5 7.0 65 65 A K S < S+ 0 0 67 -3,-1.2 679,-0.4 679,-0.2 2,-0.2 -0.881 77.1 26.9-104.9 112.8 4.6 -7.5 3.5 66 66 A G S S+ 0 0 52 -2,-0.7 -1,-0.1 2,-0.4 -2,-0.1 -0.698 120.4 36.0 140.3 -82.1 4.7 -4.4 1.3 67 67 A R S S+ 0 0 57 -2,-0.2 17,-2.5 18,-0.1 2,-0.4 0.403 101.2 85.1 -87.5 4.2 5.3 -1.1 3.2 68 68 A F E -C 83 0A 15 -4,-0.4 -2,-0.4 15,-0.2 2,-0.4 -0.875 48.5-178.6-116.5 140.6 7.7 -2.5 5.8 69 69 A A E -C 82 0A 34 13,-2.4 13,-2.6 -2,-0.4 2,-0.4 -0.998 10.5-158.9-135.5 126.8 11.5 -3.0 5.7 70 70 A F E +C 81 0A 10 -2,-0.4 2,-0.2 11,-0.2 11,-0.2 -0.903 24.7 168.0-104.6 138.4 13.8 -4.5 8.4 71 71 A S E -C 80 0A 39 9,-1.9 9,-2.1 -2,-0.4 2,-0.3 -0.854 20.6-140.4-142.8 172.9 17.5 -3.6 8.2 72 72 A L E -C 79 0A 44 7,-0.2 7,-0.2 -2,-0.2 2,-0.1 -0.928 18.4-168.5-136.9 161.3 20.8 -3.7 10.1 73 73 A E E > > -C 78 0A 99 5,-2.1 3,-2.0 -2,-0.3 5,-1.4 -0.710 24.4-179.6-147.1 70.1 24.0 -1.7 10.8 74 74 A S G > 5S+ 0 0 46 1,-0.3 3,-1.8 3,-0.2 -45,-0.1 0.782 73.3 64.0 -49.3 -36.2 25.8 -4.6 12.4 75 75 A S G 3 5S+ 0 0 106 1,-0.3 -1,-0.3 2,-0.1 -3,-0.0 0.775 111.4 38.8 -62.8 -27.1 28.9 -2.5 13.1 76 76 A A G < 5S- 0 0 38 -3,-2.0 -1,-0.3 2,-0.2 -2,-0.2 0.129 113.2-119.5-106.9 18.6 26.8 -0.4 15.4 77 77 A S T < 5 + 0 0 39 -3,-1.8 -53,-2.8 1,-0.2 2,-0.4 0.885 67.9 141.3 45.1 49.5 24.8 -3.4 16.8 78 78 A T E < -BC 23 73A 10 -5,-1.4 -5,-2.1 -55,-0.2 2,-0.4 -0.952 39.7-167.2-131.2 142.3 21.6 -1.8 15.4 79 79 A A E -BC 22 72A 0 -57,-2.1 -57,-1.8 -2,-0.4 2,-0.3 -0.945 14.7-158.8-120.9 143.8 18.4 -3.0 13.7 80 80 A F E -BC 21 71A 42 -9,-2.1 -9,-1.9 -2,-0.4 2,-0.4 -0.876 12.4-154.0-124.8 155.2 16.0 -0.7 12.1 81 81 A L E -BC 20 70A 0 -61,-1.9 -61,-2.6 -2,-0.3 2,-0.4 -0.996 15.4-171.0-128.1 117.2 12.3 -0.8 11.1 82 82 A Q E -BC 19 69A 60 -13,-2.6 -13,-2.4 -2,-0.4 2,-0.4 -0.949 3.4-169.7-112.7 130.2 11.2 1.4 8.2 83 83 A I E -BC 18 68A 1 -65,-2.0 -65,-1.7 -2,-0.4 3,-0.3 -0.997 11.1-160.6-120.3 124.7 7.5 1.9 7.3 84 84 A N + 0 0 54 -17,-2.5 -67,-0.2 -2,-0.4 -68,-0.1 -0.581 66.4 19.8-101.8 164.2 6.7 3.7 4.0 85 85 A N S S- 0 0 70 -70,-0.5 -1,-0.2 -2,-0.2 -68,-0.2 0.893 90.0-142.2 43.8 48.8 3.6 5.4 2.8 86 86 A L - 0 0 2 -70,-2.9 -71,-2.8 -3,-0.3 2,-0.3 -0.026 20.2-167.9 -43.9 140.6 2.3 5.7 6.5 87 87 A K > - 0 0 71 -73,-0.2 3,-2.1 -72,-0.1 4,-0.2 -0.881 35.4-104.2-127.9 159.5 -1.5 5.2 7.1 88 88 A N G > S+ 0 0 88 -2,-0.3 3,-1.9 1,-0.3 28,-0.4 0.824 116.6 62.5 -53.2 -41.0 -3.6 6.0 10.2 89 89 A E G 3 S+ 0 0 135 1,-0.3 -1,-0.3 -49,-0.0 -3,-0.0 0.460 86.5 74.2 -67.2 -5.5 -3.8 2.3 11.2 90 90 A D G < + 0 0 5 -3,-2.1 -1,-0.3 2,-0.0 2,-0.2 0.526 66.8 118.7 -82.5 -13.2 0.0 2.3 11.6 91 91 A T < + 0 0 34 -3,-1.9 2,-0.3 -4,-0.2 24,-0.2 -0.413 45.9 99.2 -55.7 121.0 -0.4 4.2 14.9 92 92 A A E S- H 0 114B 0 22,-2.1 22,-3.1 -2,-0.2 2,-0.5 -0.971 76.8 -82.1 176.3 175.2 1.0 2.0 17.6 93 93 A T E -FH 39 113B 38 -54,-2.7 -54,-1.8 -2,-0.3 2,-0.4 -0.910 42.0-152.9-100.9 125.3 3.9 1.1 19.8 94 94 A Y E -FH 38 112B 0 18,-2.6 18,-2.4 -2,-0.5 2,-0.3 -0.897 9.7-163.6-103.9 132.2 6.5 -1.0 18.0 95 95 A F E -F 37 0B 6 -58,-2.8 -58,-2.3 -2,-0.4 2,-0.4 -0.860 10.1-151.0-115.6 146.4 8.8 -3.4 20.0 96 96 A a E -F 36 0B 0 -2,-0.3 13,-2.1 -60,-0.2 2,-0.3 -0.898 20.3-174.8-110.1 143.6 12.1 -5.1 19.0 97 97 A A E -FI 35 108B 0 -62,-2.0 -62,-3.0 -2,-0.4 2,-0.4 -0.968 16.5-138.6-139.7 155.8 12.9 -8.4 20.7 98 98 A R E -FI 34 107B 11 9,-1.8 8,-1.3 -2,-0.3 9,-1.3 -0.981 22.0-124.6-119.7 132.7 15.9 -10.8 20.6 99 99 A A - 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