==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=27-SEP-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER PROTEIN FIBRIL/IMMUNE SYSTEM 12-OCT-12 4HIX . COMPND 2 MOLECULE: HUMANIZED 3D6 FAB HEAVY CHAIN; . SOURCE 2 ORGANISM_SCIENTIFIC: GALLUS GALLUS; . AUTHOR L.A.MILES,G.A.N.CRESPI,M.W.PARKER . 444 3 4 4 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 19995.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 294 66.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 8 1.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 174 39.2 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 6 1.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 5 1.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.5 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 . 52 11.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 39 8.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 11 2.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 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 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 RESIDUES PER ALPHA HELIX . 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 0 0 PARALLEL BRIDGES PER LADDER . 4 4 6 2 4 9 1 0 2 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 . 1 0 5 1 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 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 H V 0 0 67 0, 0.0 2,-0.4 0, 0.0 24,-0.3 0.000 360.0 360.0 360.0 118.2 77.7 37.1 31.4 2 3 H Q E -A 24 0A 113 22,-2.6 22,-2.1 24,-0.1 2,-0.5 -0.992 360.0-172.1-135.4 133.6 75.7 34.5 33.2 3 4 H L E -A 23 0A 8 -2,-0.4 107,-0.7 105,-0.3 2,-0.6 -0.978 13.2-173.2-121.0 114.0 71.9 33.9 33.5 4 5 H L E -A 22 0A 91 18,-2.6 18,-2.6 -2,-0.5 2,-0.3 -0.909 5.2-161.0-118.2 109.7 71.1 31.2 36.1 5 6 H E E +A 21 0A 23 -2,-0.6 2,-0.3 16,-0.2 16,-0.2 -0.627 15.3 166.3 -88.8 142.0 67.5 30.1 36.3 6 7 H S E +A 20 0A 67 14,-2.4 14,-2.7 -2,-0.3 106,-0.1 -0.923 42.3 67.6-139.7 169.3 66.0 28.3 39.3 7 8 H G + 0 0 37 1,-0.3 11,-0.3 -2,-0.3 -1,-0.1 0.251 61.3 132.5 108.2 -12.0 62.5 27.4 40.6 8 9 H G + 0 0 28 12,-0.1 -1,-0.3 85,-0.1 2,-0.3 -0.246 26.9 108.0 -67.9 161.1 61.4 24.8 38.0 9 10 H G - 0 0 15 104,-0.3 106,-2.5 103,-0.1 2,-0.4 -0.989 63.5 -31.1 161.9-165.7 59.8 21.5 39.1 10 11 H L E +d 115 0B 43 -2,-0.3 2,-0.3 104,-0.2 106,-0.2 -0.681 53.5 164.9 -88.8 131.2 56.8 19.4 39.4 11 12 H V E -d 116 0B 9 104,-2.4 106,-2.0 -2,-0.4 3,-0.1 -0.994 34.8-113.8-144.2 147.4 53.4 21.0 39.9 12 13 H Q > - 0 0 111 -2,-0.3 3,-2.4 104,-0.2 73,-0.2 -0.448 49.5 -84.3 -76.8 152.4 49.8 19.8 39.6 13 14 H P T 3 S+ 0 0 71 0, 0.0 73,-0.2 0, 0.0 -1,-0.1 -0.328 121.9 26.4 -56.3 138.1 47.5 21.2 36.9 14 15 H G T 3 S+ 0 0 57 71,-3.2 70,-0.6 1,-0.3 72,-0.1 0.331 102.7 126.5 86.1 -5.4 45.9 24.5 38.2 15 16 H G < - 0 0 4 -3,-2.4 70,-2.1 70,-0.2 2,-0.3 -0.086 54.7-121.8 -79.9 179.5 49.0 24.9 40.5 16 17 H S + 0 0 63 67,-0.2 2,-0.3 68,-0.2 67,-0.2 -0.883 23.5 177.6-125.2 155.9 51.4 27.7 40.9 17 18 H L E - B 0 82A 30 65,-2.2 65,-3.1 -2,-0.3 2,-0.5 -0.989 17.0-146.3-154.0 148.5 55.2 28.1 40.5 18 19 H R E - B 0 81A 131 -11,-0.3 2,-0.3 -2,-0.3 63,-0.2 -0.949 15.1-162.0-127.5 116.9 57.7 30.9 40.8 19 20 H L E - B 0 80A 0 61,-2.8 61,-2.1 -2,-0.5 2,-0.3 -0.688 3.4-163.2 -98.1 148.1 60.8 31.1 38.6 20 21 H S E -AB 6 79A 27 -14,-2.7 -14,-2.4 -2,-0.3 2,-0.4 -0.932 9.1-163.7-126.4 150.6 63.9 33.1 39.2 21 22 H a E -AB 5 78A 0 57,-2.0 57,-2.3 -2,-0.3 2,-0.6 -0.963 9.5-156.6-133.5 115.7 66.8 34.2 37.0 22 23 H A E -AB 4 77A 51 -18,-2.6 -18,-2.6 -2,-0.4 2,-0.4 -0.843 16.4-159.6 -90.8 122.5 70.0 35.4 38.7 23 24 H A E +A 3 0A 11 53,-2.7 2,-0.3 -2,-0.6 -20,-0.2 -0.817 18.1 159.8-107.1 142.4 72.0 37.7 36.3 24 25 H S E +A 2 0A 62 -22,-2.1 -22,-2.6 -2,-0.4 3,-0.1 -0.972 46.0 52.2-151.1 165.9 75.6 38.6 36.5 25 26 H G S S+ 0 0 63 -2,-0.3 2,-0.3 -24,-0.3 -22,-0.1 0.493 102.1 55.0 86.0 3.8 78.5 39.8 34.3 26 27 H F S S- 0 0 33 -24,-0.1 2,-1.7 5,-0.0 -1,-0.1 -0.981 98.7 -84.2-157.5 163.8 76.6 42.9 33.0 27 28 H T > - 0 0 84 -2,-0.3 3,-2.0 1,-0.2 4,-0.2 -0.554 44.7-168.3 -75.3 88.9 74.7 46.0 34.1 28 29 H F G > S+ 0 0 1 -2,-1.7 3,-1.7 1,-0.3 -1,-0.2 0.798 76.8 61.5 -48.8 -44.1 71.3 44.3 34.6 29 30 H S G 3 S+ 0 0 50 1,-0.3 -1,-0.3 44,-0.2 -2,-0.1 0.703 98.3 59.4 -62.2 -20.2 69.2 47.5 35.0 30 31 H N G < S+ 0 0 92 -3,-2.0 2,-0.4 2,-0.0 -1,-0.3 0.494 95.9 76.1 -85.4 -5.3 70.2 48.6 31.5 31 32 H Y S < S- 0 0 33 -3,-1.7 2,-0.2 -4,-0.2 68,-0.1 -0.876 71.4-130.3-119.9 139.7 68.7 45.6 29.6 32 33 H G E -E 98 0C 5 66,-0.5 66,-2.7 -2,-0.4 2,-0.3 -0.542 32.6-159.5 -73.6 149.2 65.3 44.3 28.6 33 34 H M E -EF 97 50C 0 17,-2.4 17,-2.7 64,-0.2 2,-0.3 -0.936 10.8-171.7-133.3 156.6 64.8 40.7 29.5 34 35 H S E -EF 96 49C 0 62,-2.4 62,-2.5 -2,-0.3 2,-0.5 -0.970 21.4-132.3-143.0 155.9 62.5 37.9 28.4 35 36 H W E -EF 95 48C 0 13,-2.5 12,-2.8 -2,-0.3 13,-2.0 -0.964 27.1-178.8-105.2 133.5 61.4 34.3 29.2 36 37 H V E -EF 94 46C 0 58,-2.2 58,-3.0 -2,-0.5 2,-0.3 -0.994 11.4-148.3-131.1 136.4 61.3 31.9 26.3 37 38 H R E -EF 93 45C 15 8,-3.1 8,-2.4 -2,-0.4 2,-0.4 -0.772 12.1-165.0-115.9 154.4 60.3 28.2 26.6 38 39 H Q E -EF 92 44C 22 54,-2.3 54,-2.7 -2,-0.3 6,-0.2 -0.925 14.0-148.7-135.8 106.1 61.1 24.9 24.9 39 40 H A > - 0 0 30 4,-0.6 3,-2.0 -2,-0.4 52,-0.2 -0.591 47.8 -86.0 -69.0 136.4 58.9 21.9 25.3 40 41 H P T 3 S+ 0 0 89 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 -0.158 114.3 10.0 -51.2 129.1 61.1 18.8 25.1 41 42 H G T 3 S+ 0 0 91 1,-0.3 2,-0.2 -3,-0.1 -2,-0.1 0.588 119.7 87.1 77.8 12.2 61.7 17.6 21.5 42 43 H K S < S- 0 0 144 -3,-2.0 -1,-0.3 1,-0.2 283,-0.0 -0.592 75.0 -81.6-132.7-169.6 60.1 20.8 20.2 43 44 H G - 0 0 27 -2,-0.2 -4,-0.6 -3,-0.1 2,-0.4 -0.005 46.8 -78.8 -92.0-168.1 60.8 24.4 19.2 44 45 H L E -F 38 0C 15 280,-0.5 279,-0.4 -6,-0.2 2,-0.4 -0.787 38.0-177.1-100.0 135.0 61.2 27.8 20.8 45 46 H E E -F 37 0C 72 -8,-2.4 -8,-3.1 -2,-0.4 277,-0.1 -0.989 26.1-124.9-134.3 123.4 58.2 29.9 22.0 46 47 H W E +F 36 0C 4 275,-0.5 -10,-0.3 -2,-0.4 3,-0.1 -0.401 27.9 178.6 -64.0 137.9 58.5 33.4 23.5 47 48 H V E - 0 0 0 -12,-2.8 13,-2.1 1,-0.3 2,-0.3 0.815 52.8 -21.6-108.5 -55.3 56.7 33.7 26.9 48 49 H A E -FG 35 59C 0 -13,-2.0 -13,-2.5 11,-0.2 2,-0.3 -0.996 48.1-154.5-159.1 153.9 57.1 37.1 28.3 49 50 H S E -FG 34 58C 0 9,-2.3 9,-2.1 -2,-0.3 2,-0.4 -0.968 1.9-167.3-133.3 150.7 59.2 40.3 28.2 50 51 H I E -FG 33 57C 5 -17,-2.7 -17,-2.4 -2,-0.3 7,-0.2 -0.997 19.2-134.5-134.5 132.7 60.0 43.2 30.5 51 52 H R - 0 0 47 5,-2.5 4,-0.2 -2,-0.4 -20,-0.1 -0.300 20.4-119.9 -75.3 166.1 61.6 46.5 29.6 52 52AH S S S+ 0 0 60 -22,-0.2 2,-0.4 392,-0.1 -21,-0.1 0.765 96.5 59.7 -74.5 -26.3 64.4 48.2 31.5 53 53 H G S > S- 0 0 39 1,-0.1 3,-1.0 -23,-0.1 -2,-0.2 -0.880 112.3 -3.2-113.7 135.7 62.2 51.2 32.0 54 54 H G T 3 S- 0 0 80 -2,-0.4 -1,-0.1 1,-0.2 3,-0.1 0.400 100.4 -91.6 79.6 -2.4 58.9 51.7 33.7 55 55 H G T 3 + 0 0 49 -4,-0.2 2,-0.3 1,-0.2 -1,-0.2 0.828 69.1 172.9 63.0 30.9 58.4 48.0 34.5 56 56 H R < - 0 0 130 -3,-1.0 -5,-2.5 1,-0.0 2,-0.3 -0.557 9.9-165.7 -76.3 136.2 56.5 47.6 31.2 57 57 H T E -G 50 0C 56 -2,-0.3 2,-0.3 -7,-0.2 -7,-0.2 -0.798 16.5-163.3-127.1 161.5 55.6 44.0 30.4 58 58 H Y E -G 49 0C 54 -9,-2.1 -9,-2.3 -2,-0.3 2,-0.3 -0.994 9.0-165.2-144.7 143.0 54.5 41.9 27.4 59 59 H Y E -G 48 0C 44 -2,-0.3 -11,-0.2 -11,-0.2 2,-0.2 -0.967 23.2-116.9-132.9 146.0 52.9 38.4 27.3 60 60 H S >> - 0 0 12 -13,-2.1 3,-2.1 -2,-0.3 4,-0.7 -0.529 39.2-108.5 -74.5 151.0 52.3 35.8 24.6 61 61 H D G >4 S+ 0 0 123 1,-0.3 3,-0.6 2,-0.2 -1,-0.1 0.791 114.8 63.8 -48.1 -34.9 48.6 35.1 24.1 62 62 H N G 34 S+ 0 0 77 1,-0.2 -1,-0.3 4,-0.0 -15,-0.1 0.702 110.8 33.9 -65.7 -23.3 49.0 31.6 25.7 63 63 H V G X> S+ 0 0 0 -3,-2.1 3,-2.3 -16,-0.2 4,-2.3 0.382 78.5 137.3-119.6 1.6 49.8 33.0 29.2 64 64 H K T << S+ 0 0 128 -4,-0.7 4,-0.1 -3,-0.6 -3,-0.0 -0.259 80.9 9.0 -52.6 128.9 47.8 36.3 29.4 65 65 H G T 34 S+ 0 0 87 2,-0.3 -1,-0.3 1,-0.1 3,-0.1 0.333 126.4 64.0 82.5 -7.3 46.3 36.6 32.8 66 66 H R T <4 S+ 0 0 18 -3,-2.3 17,-1.8 1,-0.2 2,-0.3 0.736 93.3 53.3-114.9 -40.6 48.2 33.6 34.2 67 67 H F E < -C 82 0A 4 -4,-2.3 2,-0.4 15,-0.2 -2,-0.3 -0.787 58.0-167.8-102.8 144.2 51.9 34.6 34.1 68 68 H T E -C 81 0A 73 13,-2.3 13,-2.8 -2,-0.3 2,-0.3 -0.976 5.8-160.5-130.3 116.4 53.5 37.7 35.6 69 69 H I E +C 80 0A 3 -2,-0.4 2,-0.3 11,-0.2 11,-0.2 -0.762 22.9 158.9 -90.6 142.1 57.0 38.7 34.7 70 70 H S E -C 79 0A 51 9,-2.1 9,-2.9 -2,-0.3 2,-0.3 -0.944 23.4-142.6-151.6 174.2 58.8 41.1 37.1 71 71 H R E -C 78 0A 39 -2,-0.3 2,-0.5 7,-0.2 7,-0.2 -0.998 10.6-156.1-145.5 147.9 62.3 42.2 38.0 72 72 H D E > > -C 77 0A 46 5,-2.6 5,-2.5 -2,-0.3 3,-0.7 -0.928 10.8-174.0-119.7 101.5 64.4 43.3 41.1 73 73 H N G > 5S+ 0 0 64 -2,-0.5 3,-0.9 1,-0.2 -44,-0.2 0.848 84.2 60.3 -65.0 -33.6 67.3 45.4 39.8 74 74 H A G 3 5S+ 0 0 91 1,-0.3 -1,-0.2 -3,-0.1 -2,-0.0 0.781 114.6 35.3 -63.9 -28.9 68.7 45.5 43.3 75 75 H K G < 5S- 0 0 135 -3,-0.7 -1,-0.3 2,-0.2 -2,-0.2 0.338 106.8-125.9-103.3 5.3 69.0 41.7 43.3 76 76 H N T < 5 + 0 0 68 -3,-0.9 -53,-2.7 -4,-0.3 2,-0.4 0.916 64.6 143.5 46.2 48.9 69.8 41.6 39.6 77 77 H S E < -BC 22 72A 16 -5,-2.5 -5,-2.6 -55,-0.2 2,-0.4 -0.946 44.5-158.5-126.8 140.1 66.9 39.1 39.3 78 78 H L E -BC 21 71A 0 -57,-2.3 -57,-2.0 -2,-0.4 2,-0.4 -0.884 20.0-161.8-107.4 144.3 64.2 38.3 36.8 79 79 H Y E -BC 20 70A 24 -9,-2.9 -9,-2.1 -2,-0.4 2,-0.4 -0.965 17.3-166.8-130.5 145.7 61.0 36.6 38.0 80 80 H L E -BC 19 69A 0 -61,-2.1 -61,-2.8 -2,-0.4 2,-0.6 -0.901 9.1-163.8-130.4 106.0 58.2 34.6 36.4 81 81 H Q E -BC 18 68A 66 -13,-2.8 -13,-2.3 -2,-0.4 2,-0.5 -0.787 12.6-163.8 -86.8 122.4 55.2 34.0 38.6 82 82 H M E +BC 17 67A 0 -65,-3.1 -65,-2.2 -2,-0.6 2,-0.3 -0.936 11.7 174.0-117.4 116.7 53.1 31.2 37.0 83 82AH N + 0 0 57 -17,-1.8 -67,-0.2 -2,-0.5 -68,-0.2 -0.761 60.3 22.0-116.2 164.9 49.5 30.6 38.0 84 82BH S S S- 0 0 70 -70,-0.6 -1,-0.2 -2,-0.3 -69,-0.2 0.863 83.9-163.5 49.4 43.6 46.7 28.3 36.7 85 82CH L - 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