==== 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 3QXV . COMPND 2 MOLECULE: ANTI-METHOTREXATE CDR1-4 GRAFT VHH; . SOURCE 2 ORGANISM_SCIENTIFIC: LAMA GLAMA; . AUTHOR S.W.FANNING,J.R.HORN . 610 13 5 4 1 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 30035.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 359 58.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 18 3.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 220 36.1 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 10 1.6 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 . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.2 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 . 36 5.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 48 7.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 17 2.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 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 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 . 0 5 10 6 7 8 4 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 . 3 0 5 1 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 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 4 A V 0 0 49 0, 0.0 2,-0.5 0, 0.0 22,-0.0 0.000 360.0 360.0 360.0 117.1 -27.0 12.5 -31.7 2 5 A Q - 0 0 119 110,-0.1 22,-1.9 2,-0.0 2,-0.5 -0.931 360.0-153.7-114.2 127.6 -27.4 16.3 -31.5 3 6 A L E -A 23 0A 6 -2,-0.5 112,-0.8 110,-0.5 2,-0.5 -0.834 16.2-165.6 -90.5 130.6 -24.6 18.8 -31.7 4 7 A V E -A 22 0A 80 18,-2.3 18,-2.2 -2,-0.5 2,-0.3 -0.970 3.5-156.2-126.3 116.5 -25.6 22.0 -30.0 5 8 A E E -A 21 0A 17 -2,-0.5 2,-0.3 16,-0.2 16,-0.2 -0.663 14.7-169.8 -87.6 142.1 -23.6 25.2 -30.5 6 9 A S E +A 20 0A 58 14,-2.6 14,-2.3 -2,-0.3 111,-0.1 -0.963 47.3 45.6-130.7 154.5 -23.6 28.0 -27.9 7 10 A G + 0 0 39 -2,-0.3 11,-0.2 1,-0.3 -1,-0.1 0.430 60.7 145.7 110.8 4.1 -22.6 31.6 -27.4 8 11 A G + 0 0 30 85,-0.1 -1,-0.3 -3,-0.1 2,-0.3 -0.346 21.0 110.0 -64.6 152.0 -23.7 33.4 -30.5 9 12 A G - 0 0 33 109,-0.3 111,-2.4 108,-0.1 2,-0.5 -0.976 65.7 -41.0 169.9-163.2 -24.9 37.0 -30.3 10 13 A L E +d 120 0B 134 -2,-0.3 2,-0.3 109,-0.2 111,-0.2 -0.754 58.5 165.0 -95.1 122.5 -24.1 40.7 -31.2 11 14 A V E -d 121 0B 28 109,-3.1 111,-2.1 -2,-0.5 2,-0.3 -0.865 32.5-106.9-137.4 173.5 -20.5 41.9 -30.7 12 15 A Q E > -d 122 0B 149 -2,-0.3 3,-2.2 109,-0.2 73,-0.3 -0.705 39.4 -98.3-107.3 143.2 -18.2 44.8 -31.6 13 16 A A T 3 S+ 0 0 40 109,-1.0 73,-0.2 -2,-0.3 3,-0.1 -0.410 115.4 30.0 -59.0 139.6 -15.3 44.8 -34.1 14 17 A G T 3 S+ 0 0 60 71,-2.7 70,-0.4 1,-0.3 -1,-0.3 0.370 103.5 118.7 81.7 -1.1 -12.1 44.3 -32.2 15 18 A G < - 0 0 22 -3,-2.2 70,-1.6 70,-0.2 2,-0.3 -0.096 59.5-123.5 -82.9-174.1 -14.0 42.3 -29.6 16 19 A S - 0 0 67 67,-0.2 2,-0.3 68,-0.2 67,-0.2 -0.935 22.7-179.8-127.8 152.7 -13.8 38.7 -28.4 17 20 A L E - B 0 82A 28 65,-1.8 65,-2.9 -2,-0.3 2,-0.5 -0.974 15.4-147.7-148.9 144.4 -16.5 36.0 -28.3 18 21 A R E - B 0 81A 111 -2,-0.3 2,-0.3 63,-0.2 63,-0.2 -0.972 13.9-171.8-115.3 124.8 -16.4 32.3 -27.1 19 22 A L E - B 0 80A 0 61,-2.2 61,-2.1 -2,-0.5 2,-0.4 -0.770 7.0-159.6-104.2 156.8 -18.6 29.7 -28.7 20 23 A S E -AB 6 79A 26 -14,-2.3 -14,-2.6 -2,-0.3 2,-0.5 -0.991 9.3-147.1-137.9 149.0 -19.0 26.2 -27.4 21 24 A a E +AB 5 78A 2 57,-3.6 57,-1.9 -2,-0.4 2,-0.3 -0.953 19.0 178.2-117.5 131.7 -20.1 22.9 -28.8 22 25 A A E -A 4 0A 37 -18,-2.2 -18,-2.3 -2,-0.5 2,-0.4 -0.802 15.9-139.9-123.8 164.3 -21.9 20.2 -26.8 23 26 A A E -A 3 0A 28 53,-0.4 -20,-0.2 -2,-0.3 3,-0.0 -0.963 14.5-137.9-129.2 146.8 -23.3 16.8 -27.6 24 27 A S S S+ 0 0 73 -22,-1.9 2,-0.3 -2,-0.4 -21,-0.1 0.675 91.8 18.7 -75.4 -17.9 -26.6 15.0 -26.6 25 28 A R S S- 0 0 151 -23,-0.2 2,-0.3 2,-0.0 -1,-0.1 -0.966 78.2-117.5-144.3 159.2 -24.7 11.7 -26.0 26 29 A R - 0 0 133 -2,-0.3 2,-0.3 590,-0.1 -2,-0.0 -0.779 25.5-145.0 -95.6 151.5 -21.1 10.5 -25.4 27 30 A S - 0 0 20 -2,-0.3 4,-0.1 2,-0.2 -2,-0.0 -0.827 14.3-140.8-113.5 150.7 -19.4 8.2 -27.9 28 31 A S S S+ 0 0 128 -2,-0.3 2,-0.3 2,-0.1 -1,-0.1 0.564 84.1 78.2 -83.3 -11.8 -16.9 5.4 -27.1 29 32 A R S S- 0 0 115 1,-0.0 2,-0.5 23,-0.0 -2,-0.2 -0.701 88.4-111.1 -96.8 154.4 -14.8 6.4 -30.2 30 33 A S - 0 0 88 -2,-0.3 2,-0.4 69,-0.1 22,-0.1 -0.713 37.3-162.8 -85.3 122.2 -12.5 9.3 -30.5 31 34 A W - 0 0 21 -2,-0.5 2,-0.3 21,-0.2 68,-0.2 -0.896 17.6-133.2-108.0 139.1 -13.8 12.1 -32.9 32 35 A A E -E 98 0C 5 66,-2.5 66,-2.4 -2,-0.4 2,-0.3 -0.651 31.4-150.9 -76.8 142.6 -12.1 14.9 -34.7 33 36 A M E +EF 97 50C 5 17,-2.6 17,-3.3 -2,-0.3 2,-0.3 -0.926 17.0 177.5-122.5 153.8 -14.0 18.1 -34.2 34 37 A A E -EF 96 49C 2 62,-2.5 62,-2.1 -2,-0.3 2,-0.4 -0.966 21.9-139.4-141.8 156.5 -14.4 21.3 -36.4 35 38 A W E +EF 95 48C 0 13,-3.2 12,-2.1 -2,-0.3 13,-1.5 -0.937 22.0 179.7-115.3 145.5 -16.2 24.7 -36.7 36 39 A F E -EF 94 46C 2 58,-2.5 58,-3.4 -2,-0.4 2,-0.3 -0.877 9.8-153.8-132.9 161.8 -17.5 26.0 -40.0 37 40 A R E -EF 93 45C 19 8,-2.1 8,-3.4 -2,-0.3 2,-0.4 -0.979 3.4-158.0-139.1 156.1 -19.4 29.2 -40.7 38 41 A Q E -E 92 0C 63 54,-2.1 54,-1.8 -2,-0.3 6,-0.2 -0.875 7.5-155.3-142.9 109.7 -21.8 30.4 -43.4 39 42 A A > - 0 0 27 4,-0.4 3,-1.4 -2,-0.4 52,-0.1 -0.284 44.9 -80.7 -79.5 163.3 -22.5 34.0 -44.4 40 43 A P T 3 S+ 0 0 140 0, 0.0 -1,-0.1 0, 0.0 51,-0.1 0.625 121.0 10.6 -38.8 -34.2 -25.8 35.2 -46.0 41 44 A G T 3 S+ 0 0 78 2,-0.1 2,-0.1 0, 0.0 -3,-0.0 0.401 111.6 84.5-129.3 3.4 -25.2 34.1 -49.6 42 45 A K S < S- 0 0 105 -3,-1.4 2,-0.2 1,-0.2 3,-0.0 -0.259 77.7 -79.1-111.6 179.4 -22.1 31.9 -49.6 43 46 A E - 0 0 154 1,-0.1 -4,-0.4 -2,-0.1 2,-0.3 -0.555 54.0 -95.8 -73.1 148.1 -20.9 28.3 -49.0 44 47 A R - 0 0 56 -2,-0.2 2,-0.3 -6,-0.2 -6,-0.2 -0.532 54.2-152.5 -53.8 126.3 -20.4 27.0 -45.5 45 48 A E E -F 37 0C 61 -8,-3.4 -8,-2.1 -2,-0.3 2,-0.2 -0.838 14.6-103.3-120.6 144.8 -16.6 27.7 -45.1 46 49 A F E +F 36 0C 24 -2,-0.3 -10,-0.2 -10,-0.2 3,-0.1 -0.463 40.1 165.4 -67.7 138.8 -14.0 25.9 -43.0 47 50 A V E - 0 0 0 -12,-2.1 13,-3.2 1,-0.4 2,-0.3 0.770 56.7 -21.9-116.3 -64.4 -12.9 27.7 -39.8 48 51 A A E -FG 35 59C 0 -13,-1.5 -13,-3.2 11,-0.2 -1,-0.4 -0.994 48.7-165.7-153.3 149.2 -11.0 25.4 -37.4 49 52 A K E -FG 34 58C 0 9,-2.2 9,-1.6 -2,-0.3 2,-0.3 -0.972 2.7-166.4-134.9 159.3 -10.5 21.7 -36.6 50 53 A I E -FG 33 57C 2 -17,-3.3 -17,-2.6 -2,-0.3 7,-0.2 -0.999 22.7-116.9-148.0 134.4 -8.9 19.7 -33.8 51 54 A S > - 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