==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=6-SEP-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER IMMUNE SYSTEM 02-MAR-11 3QXT . COMPND 2 MOLECULE: ANTI-METHOTREXATE CDR1-3 GRAFT VHH; . SOURCE 2 ORGANISM_SCIENTIFIC: LAMA GLAMA; . AUTHOR S.W.FANNING,J.R.HORN . 250 4 2 2 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12514.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 146 58.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 10 4.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 90 36.0 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 1.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 7 2.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 23 9.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 8 3.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 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 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 0 RESIDUES PER ALPHA HELIX . 0 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 0 0 PARALLEL BRIDGES PER LADDER . 0 2 4 2 2 4 2 0 0 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 0 2 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 3 A Q 0 0 169 0, 0.0 24,-0.1 0, 0.0 2,-0.0 0.000 360.0 360.0 360.0-135.8 41.5 -44.4 -16.7 2 4 A V - 0 0 5 249,-0.1 2,-0.4 23,-0.1 22,-0.0 -0.314 360.0-164.1 -56.6 133.0 38.3 -43.4 -14.7 3 5 A Q - 0 0 87 110,-0.1 22,-1.8 -2,-0.0 2,-0.4 -0.971 7.4-151.2-123.1 127.7 35.4 -42.4 -16.9 4 6 A L E -A 24 0A 3 110,-0.5 112,-0.5 -2,-0.4 2,-0.4 -0.851 15.2-166.2 -92.6 138.4 32.3 -40.4 -15.5 5 7 A V E -A 23 0A 82 18,-2.8 18,-2.5 -2,-0.4 2,-0.3 -0.970 5.1-154.1-131.2 121.2 29.1 -41.1 -17.4 6 8 A E E +A 22 0A 18 -2,-0.4 2,-0.3 16,-0.2 16,-0.2 -0.641 19.3 168.9 -87.2 146.7 25.9 -39.0 -17.1 7 9 A S E +A 21 0A 62 14,-2.5 14,-2.2 -2,-0.3 111,-0.1 -0.926 42.4 67.0-144.4 173.3 22.4 -40.3 -17.7 8 10 A G + 0 0 36 -2,-0.3 11,-0.5 1,-0.2 -1,-0.1 0.409 63.0 139.1 97.1 2.1 18.8 -39.3 -17.2 9 11 A G + 0 0 29 12,-0.1 2,-0.3 9,-0.1 111,-0.2 -0.091 19.1 133.5 -71.9 167.6 18.7 -36.4 -19.7 10 12 A G E -d 120 0B 30 109,-1.1 111,-2.7 108,-0.1 2,-0.5 -0.989 56.3 -77.2 176.6-165.9 15.7 -35.8 -22.0 11 13 A L E +d 121 0B 131 -2,-0.3 2,-0.3 109,-0.2 111,-0.2 -0.997 53.5 168.7-128.1 116.7 13.2 -33.3 -23.4 12 14 A V E -d 122 0B 29 109,-2.6 111,-2.5 -2,-0.5 2,-0.2 -0.911 36.9 -99.1-133.8 156.8 10.5 -32.4 -21.0 13 15 A Q E > -d 123 0B 148 -2,-0.3 3,-2.0 109,-0.2 111,-0.2 -0.520 53.3 -88.9 -73.2 141.4 7.7 -29.9 -20.6 14 16 A A T 3 S+ 0 0 37 109,-2.9 73,-0.2 1,-0.3 -1,-0.1 -0.145 116.6 31.7 -48.8 142.8 8.2 -26.8 -18.4 15 17 A G T 3 S+ 0 0 57 71,-3.1 70,-0.6 1,-0.3 -1,-0.3 0.157 99.1 113.5 86.7 -13.0 7.3 -27.4 -14.8 16 18 A G < - 0 0 24 -3,-2.0 70,-2.5 69,-0.2 2,-0.3 0.008 59.6-130.9 -76.7-175.1 8.3 -31.1 -15.2 17 19 A S - 0 0 57 68,-0.2 2,-0.3 67,-0.2 67,-0.2 -0.925 17.0-172.2-133.3 161.2 11.3 -32.8 -13.4 18 20 A L E - B 0 83A 31 65,-1.8 65,-3.2 -2,-0.3 2,-0.4 -0.897 15.0-143.7-139.3 165.6 14.2 -35.0 -14.4 19 21 A R E - B 0 82A 110 -11,-0.5 2,-0.3 -2,-0.3 63,-0.2 -0.927 15.3-159.9-132.7 111.5 16.8 -36.8 -12.3 20 22 A L E - B 0 81A 0 61,-2.8 61,-2.3 -2,-0.4 2,-0.3 -0.652 6.0-162.5 -86.6 149.0 20.3 -37.0 -13.7 21 23 A S E -AB 7 80A 27 -14,-2.2 -14,-2.5 -2,-0.3 2,-0.5 -0.966 8.5-158.0-128.7 148.3 22.8 -39.6 -12.5 22 24 A a E -AB 6 79A 3 57,-2.2 57,-1.7 -2,-0.3 2,-0.2 -0.973 15.1-178.4-127.2 116.4 26.6 -39.7 -12.8 23 25 A A E -AB 5 78A 44 -18,-2.5 -18,-2.8 -2,-0.5 2,-0.4 -0.664 13.6-143.9-107.9 157.5 28.2 -43.1 -12.6 24 26 A A E -A 4 0A 23 53,-0.7 -20,-0.2 -2,-0.2 -22,-0.1 -0.959 18.3-129.0-122.1 156.4 31.9 -43.9 -12.7 25 27 A S S S+ 0 0 75 -22,-1.8 2,-0.3 -2,-0.4 -21,-0.1 0.674 92.7 22.8 -74.6 -17.0 33.9 -46.8 -14.3 26 28 A R S S- 0 0 139 -23,-0.2 2,-0.3 51,-0.1 -1,-0.0 -0.969 75.2-118.4-146.4 162.7 35.8 -47.3 -11.0 27 29 A R - 0 0 141 -2,-0.3 2,-0.4 224,-0.1 3,-0.0 -0.673 22.0-151.5 -96.3 149.5 35.6 -46.7 -7.3 28 30 A S - 0 0 26 -2,-0.3 4,-0.1 223,-0.3 49,-0.0 -0.976 15.7-151.1-119.4 145.6 38.1 -44.6 -5.3 29 31 A S S S+ 0 0 136 -2,-0.4 -1,-0.1 2,-0.1 2,-0.1 0.604 77.8 87.9 -79.6 -14.0 39.0 -44.9 -1.6 30 32 A R S S- 0 0 149 1,-0.1 2,-0.5 -3,-0.0 -2,-0.2 -0.283 90.3 -99.2 -83.7 171.0 39.7 -41.3 -1.6 31 33 A S - 0 0 65 69,-0.1 2,-0.5 -2,-0.1 22,-0.1 -0.770 42.0-178.1 -88.0 119.7 37.3 -38.3 -0.9 32 34 A W - 0 0 9 -2,-0.5 68,-0.2 21,-0.3 2,-0.1 -0.972 20.3-144.1-123.5 123.5 36.1 -36.7 -4.1 33 35 A A E -E 99 0B 3 66,-2.2 66,-2.6 -2,-0.5 2,-0.3 -0.512 24.1-150.9 -68.9 143.7 33.8 -33.7 -4.2 34 36 A M E -EF 98 51B 5 17,-2.1 17,-2.5 64,-0.2 2,-0.3 -0.926 15.8-178.4-122.7 153.6 31.3 -34.0 -7.1 35 37 A A E -EF 97 50B 1 62,-2.4 62,-2.0 -2,-0.3 2,-0.4 -0.963 21.6-140.6-146.9 154.8 29.7 -31.3 -9.2 36 38 A W E +EF 96 49B 0 13,-2.8 12,-2.7 -2,-0.3 13,-1.9 -0.982 22.5 178.2-114.5 144.0 27.3 -30.7 -12.0 37 39 A F E -EF 95 47B 2 58,-2.3 58,-2.7 -2,-0.4 2,-0.3 -0.820 11.3-152.4-130.7 163.8 27.9 -27.9 -14.6 38 40 A R E -EF 94 46B 14 8,-2.5 8,-3.2 -2,-0.3 2,-0.4 -0.994 5.4-165.2-140.5 153.4 25.8 -26.9 -17.6 39 41 A Q E -E 93 0B 65 54,-2.4 54,-2.7 -2,-0.3 6,-0.1 -0.997 5.4-177.9-139.1 138.2 26.6 -25.3 -20.9 40 42 A A > - 0 0 26 -2,-0.4 3,-1.8 4,-0.2 52,-0.1 -0.801 44.5 -78.0-126.1 168.7 24.4 -23.8 -23.6 41 43 A P T 3 S+ 0 0 133 0, 0.0 3,-0.1 0, 0.0 -1,-0.1 -0.337 119.2 26.1 -65.6 142.7 25.2 -22.3 -26.9 42 44 A G T 3 S+ 0 0 90 1,-0.3 2,-0.3 -3,-0.0 -3,-0.0 0.466 112.8 93.9 87.4 2.2 26.6 -18.8 -26.6 43 45 A K S < S- 0 0 144 -3,-1.8 2,-0.4 3,-0.0 -1,-0.3 -0.826 73.3-118.1-131.2 160.8 27.8 -19.5 -23.2 44 46 A E - 0 0 182 -2,-0.3 -4,-0.2 1,-0.1 -6,-0.1 -0.712 55.4 -91.2 -78.4 142.3 30.7 -20.6 -21.0 45 47 A R - 0 0 46 -2,-0.4 2,-0.4 -6,-0.1 -6,-0.2 -0.248 52.9-153.6 -50.4 133.0 30.0 -23.8 -19.0 46 48 A E E -F 38 0B 75 -8,-3.2 -8,-2.5 -3,-0.1 2,-0.1 -0.952 15.5-105.9-124.7 146.0 28.5 -22.7 -15.7 47 49 A F E +F 37 0B 41 -2,-0.4 -10,-0.3 59,-0.3 3,-0.1 -0.367 35.6 168.1 -66.1 138.5 28.4 -24.2 -12.2 48 50 A V E - 0 0 1 -12,-2.7 13,-2.6 1,-0.4 2,-0.3 0.731 59.4 -20.6-116.1 -52.4 25.1 -25.7 -11.1 49 51 A A E -FG 36 60B 0 -13,-1.9 -13,-2.8 11,-0.3 -1,-0.4 -0.988 50.4-168.9-159.9 154.1 25.7 -27.7 -7.9 50 52 A K E -FG 35 59B 13 9,-2.5 9,-1.9 -2,-0.3 2,-0.4 -0.992 4.8-160.6-145.7 160.3 28.3 -29.5 -5.9 51 53 A I E -FG 34 58B 5 -17,-2.5 -17,-2.1 -2,-0.3 7,-0.2 -0.995 27.1-112.8-140.4 138.3 28.6 -31.8 -2.9 52 54 A S > - 0 0 0 5,-2.7 3,-2.2 -2,-0.4 -20,-0.1 -0.252 35.6-101.4 -69.7 165.5 31.5 -32.5 -0.6 53 55 A G T 3 S+ 0 0 12 1,-0.3 -21,-0.3 -22,-0.1 -1,-0.1 0.864 124.2 45.4 -53.8 -37.5 33.3 -35.8 -0.6 54 56 A D T 3 S- 0 0 59 -23,-0.1 -1,-0.3 1,-0.1 -2,-0.1 0.389 110.1-120.2 -90.3 2.7 31.5 -36.8 2.6 55 57 A G S < S+ 0 0 26 -3,-2.2 -2,-0.1 2,-0.2 17,-0.1 0.403 84.7 108.2 80.3 -1.0 28.1 -35.6 1.4 56 58 A R + 0 0 109 -5,-0.1 2,-0.5 1,-0.0 183,-0.2 0.742 69.2 51.3 -86.2 -23.4 27.7 -33.1 4.3 57 59 A L + 0 0 2 2,-0.0 -5,-2.7 184,-0.0 2,-0.3 -0.957 61.5 176.4-118.1 136.9 28.1 -29.8 2.5 58 60 A T E -G 51 0B 37 -2,-0.5 2,-0.4 -7,-0.2 -7,-0.2 -0.979 6.5-172.9-133.9 150.9 26.2 -28.7 -0.7 59 61 A T E -G 50 0B 34 -9,-1.9 -9,-2.5 -2,-0.3 2,-0.3 -0.990 6.1-164.4-138.1 145.1 26.2 -25.5 -2.8 60 62 A Y E -G 49 0B 41 -2,-0.4 -11,-0.3 -11,-0.2 5,-0.1 -0.941 28.2-103.8-125.7 154.4 23.9 -24.5 -5.7 61 63 A G >> - 0 0 13 -13,-2.6 3,-1.5 -2,-0.3 4,-1.4 -0.332 39.3-111.2 -71.3 155.3 24.1 -21.8 -8.3 62 64 A D T 34 S+ 0 0 158 1,-0.3 3,-0.3 2,-0.2 -1,-0.1 0.874 114.3 57.9 -62.4 -34.1 21.8 -18.9 -7.7 63 65 A S T 34 S+ 0 0 65 1,-0.2 -1,-0.3 3,-0.0 -15,-0.1 0.636 116.6 32.0 -72.1 -9.9 19.5 -19.7 -10.6 64 66 A V T X> S+ 0 0 1 -3,-1.5 3,-2.3 -16,-0.2 4,-2.2 0.471 80.7 125.6-122.9 -6.7 18.7 -23.3 -9.4 65 67 A K T 3< S+ 0 0 137 -4,-1.4 4,-0.1 -3,-0.3 -16,-0.0 -0.332 80.8 18.9 -61.3 137.7 18.8 -23.1 -5.6 66 68 A G T 34 S+ 0 0 79 2,-0.5 -1,-0.3 1,-0.1 3,-0.1 0.069 123.4 60.4 91.7 -24.1 15.5 -24.4 -4.1 67 69 A R T <4 S+ 0 0 32 -3,-2.3 17,-2.1 1,-0.1 2,-0.3 0.746 99.0 51.8-103.7 -33.2 14.6 -26.2 -7.3 68 70 A F E < -C 83 0A 3 -4,-2.2 -2,-0.5 15,-0.2 2,-0.4 -0.795 62.5-161.4-107.7 151.1 17.5 -28.7 -7.8 69 71 A T E -C 82 0A 74 13,-2.3 13,-3.0 -2,-0.3 2,-0.4 -0.977 3.1-158.6-131.2 124.2 18.9 -31.2 -5.2 70 72 A I E +C 81 0A 6 -2,-0.4 2,-0.3 11,-0.2 11,-0.2 -0.786 23.5 157.0 -96.9 142.2 22.3 -32.8 -5.4 71 73 A S E -C 80 0A 41 9,-1.8 9,-3.0 -2,-0.4 2,-0.3 -0.957 22.7-148.2-155.8 164.4 22.9 -36.1 -3.5 72 74 A R E -C 79 0A 66 -2,-0.3 2,-0.5 7,-0.2 7,-0.2 -0.987 4.4-151.4-141.5 153.5 25.3 -39.0 -3.6 73 75 A D E >> -C 78 0A 61 5,-2.7 5,-1.7 -2,-0.3 4,-0.7 -0.976 2.1-165.5-127.7 116.5 25.2 -42.7 -2.8 74 76 A K T >45S+ 0 0 169 -2,-0.5 3,-0.9 2,-0.2 -1,-0.1 0.918 87.2 55.2 -66.5 -43.8 28.4 -44.5 -1.8 75 77 A G T 345S+ 0 0 53 1,-0.3 -1,-0.2 2,-0.1 -2,-0.0 0.906 117.7 36.6 -61.3 -37.1 27.2 -48.1 -2.2 76 78 A K T 345S- 0 0 121 2,-0.1 -1,-0.3 -53,-0.0 -2,-0.2 0.467 100.9-133.8 -91.3 -4.1 26.2 -47.4 -5.8 77 79 A N T <<5 + 0 0 36 -3,-0.9 -53,-0.7 -4,-0.7 2,-0.3 0.893 63.6 129.6 51.8 50.8 29.2 -45.0 -6.5 78 80 A T E < -BC 23 73A 19 -5,-1.7 -5,-2.7 -55,-0.2 2,-0.4 -0.950 47.8-154.3-134.9 149.0 26.6 -42.6 -8.1 79 81 A V E -BC 22 72A 7 -57,-1.7 -57,-2.2 -2,-0.3 2,-0.3 -0.963 16.9-155.4-121.4 147.1 25.8 -38.9 -7.8 80 82 A Y E -BC 21 71A 22 -9,-3.0 -9,-1.8 -2,-0.4 2,-0.4 -0.894 17.6-161.6-125.7 151.6 22.4 -37.5 -8.6 81 83 A L E -BC 20 70A 0 -61,-2.3 -61,-2.8 -2,-0.3 2,-0.6 -0.939 14.2-160.6-130.1 104.7 20.9 -34.1 -9.6 82 84 A Q E -BC 19 69A 48 -13,-3.0 -13,-2.3 -2,-0.4 2,-0.6 -0.750 11.1-164.4 -80.9 121.6 17.1 -34.0 -8.9 83 85 A M E +BC 18 68A 0 -65,-3.2 -65,-1.8 -2,-0.6 3,-0.3 -0.904 12.7 173.5-116.5 107.4 15.8 -31.2 -11.1 84 86 A D + 0 0 59 -17,-2.1 -67,-0.2 -2,-0.6 -68,-0.1 -0.661 58.2 24.0-106.7 162.2 12.2 -30.0 -10.2 85 87 A S S S- 0 0 71 -70,-0.6 -1,-0.2 -2,-0.2 -69,-0.2 0.884 84.7-157.6 53.5 46.2 10.1 -27.1 -11.5 86 88 A L - 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