==== 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 3QXW . COMPND 2 MOLECULE: ANTI-METHOTREXATE CDR1-4 GRAFT VHH; . SOURCE 2 ORGANISM_SCIENTIFIC: LAMA GLAMA; . AUTHOR S.W.FANNING,J.R.HORN . 614 6 5 4 1 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 29683.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 386 62.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 24 3.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 226 36.8 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 . 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 . 34 5.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 69 11.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 12 2.0 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 1 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 0 0 PARALLEL BRIDGES PER LADDER . 0 5 10 4 6 10 5 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 . 1 0 5 0 1 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 3 A Q 0 0 138 0, 0.0 2,-0.4 0, 0.0 27,-0.1 0.000 360.0 360.0 360.0 132.6 -28.2 -41.4 6.8 2 4 A V - 0 0 6 96,-0.1 2,-0.4 23,-0.1 112,-0.1 -0.976 360.0-159.5-136.6 136.4 -25.3 -39.3 8.0 3 5 A Q - 0 0 115 -2,-0.4 22,-1.3 110,-0.1 2,-0.4 -0.996 12.9-157.5-127.5 145.1 -25.2 -35.6 8.7 4 6 A L E -A 24 0A 14 -2,-0.4 112,-0.5 110,-0.3 2,-0.4 -0.932 12.8-174.2-128.3 132.2 -21.9 -33.7 8.9 5 7 A V E -A 23 0A 91 18,-1.8 18,-3.2 -2,-0.4 2,-0.3 -0.977 13.2-153.2-130.5 119.6 -20.8 -30.5 10.5 6 8 A E E +A 22 0A 16 -2,-0.4 2,-0.3 16,-0.2 16,-0.2 -0.650 19.2 170.5 -86.5 143.5 -17.3 -29.0 10.0 7 9 A S E +A 21 0A 58 14,-2.5 14,-2.2 -2,-0.3 111,-0.1 -0.928 43.8 62.0-140.2 162.0 -15.7 -26.7 12.6 8 10 A G + 0 0 37 -2,-0.3 11,-0.2 1,-0.3 -1,-0.1 0.327 65.0 131.9 109.3 -3.3 -12.2 -25.2 13.1 9 11 A G + 0 0 26 12,-0.1 2,-0.3 85,-0.1 -1,-0.3 -0.070 21.4 99.5 -73.7 175.7 -11.8 -23.0 10.1 10 12 A G E -d 120 0B 29 109,-1.1 111,-2.8 108,-0.1 2,-0.4 -0.959 67.0 -19.6 152.3-146.0 -10.6 -19.4 10.0 11 13 A L E +d 121 0B 102 -2,-0.3 2,-0.3 109,-0.2 111,-0.2 -0.705 53.2 167.0-102.4 133.5 -7.5 -17.2 9.4 12 14 A V E -d 122 0B 1 109,-2.4 111,-2.4 -2,-0.4 2,-0.2 -0.975 34.0-115.2-144.3 148.9 -3.9 -18.5 9.5 13 15 A Q E > -d 123 0B 10 382,-3.0 3,-2.1 -2,-0.3 73,-0.2 -0.603 45.8 -93.8 -86.0 146.2 -0.6 -17.2 8.4 14 16 A A T 3 S+ 0 0 23 109,-2.0 73,-0.2 1,-0.2 -1,-0.1 -0.306 114.6 32.2 -58.3 144.7 1.3 -19.0 5.7 15 17 A G T 3 S+ 0 0 56 71,-2.7 70,-0.6 1,-0.3 -1,-0.2 0.125 103.9 104.1 94.2 -19.8 3.7 -21.6 7.1 16 18 A G < - 0 0 8 -3,-2.1 70,-2.5 69,-0.2 2,-0.3 0.047 64.9-119.1 -87.1-171.8 1.4 -22.2 10.1 17 19 A S - 0 0 22 355,-0.2 2,-0.3 67,-0.2 67,-0.2 -0.933 20.2-177.2-133.2 157.9 -1.1 -25.0 11.0 18 20 A L E - B 0 83A 13 65,-1.8 65,-3.0 -2,-0.3 2,-0.4 -0.980 16.8-141.7-149.5 152.0 -4.8 -25.4 11.6 19 21 A R E - B 0 82A 127 -2,-0.3 2,-0.3 -11,-0.2 63,-0.2 -0.963 16.3-168.9-122.4 132.0 -6.9 -28.3 12.7 20 22 A L E - B 0 81A 0 61,-3.0 61,-3.0 -2,-0.4 2,-0.4 -0.819 3.2-161.7-111.5 159.5 -10.4 -28.9 11.3 21 23 A S E -AB 7 80A 25 -14,-2.2 -14,-2.5 -2,-0.3 2,-0.4 -0.988 10.5-153.2-140.1 150.7 -12.9 -31.4 12.5 22 24 A a E -AB 6 79A 2 57,-2.8 57,-2.0 -2,-0.4 2,-0.5 -0.981 15.0-155.1-121.7 121.0 -16.0 -33.0 11.0 23 25 A A E -AB 5 78A 35 -18,-3.2 -18,-1.8 -2,-0.4 2,-0.3 -0.815 1.6-157.4-103.9 125.3 -18.7 -34.1 13.4 24 26 A A E -A 4 0A 13 53,-2.8 -20,-0.2 -2,-0.5 -22,-0.0 -0.689 15.2-137.7 -94.4 152.5 -21.1 -36.8 12.5 25 27 A S S S+ 0 0 61 -22,-1.3 2,-0.3 -2,-0.3 -1,-0.1 0.698 76.4 44.9 -83.1 -17.0 -24.5 -37.0 14.3 26 28 A R S > S- 0 0 142 -23,-0.2 3,-2.2 51,-0.1 4,-0.2 -0.950 74.3-121.0-137.4 150.2 -24.7 -40.8 14.8 27 29 A R G > S+ 0 0 127 -2,-0.3 3,-2.0 1,-0.3 4,-0.1 0.833 107.8 69.5 -48.5 -40.2 -22.7 -43.9 15.9 28 30 A S G > S+ 0 0 29 1,-0.3 3,-2.5 2,-0.2 -1,-0.3 0.662 73.0 86.8 -57.6 -19.4 -23.3 -45.5 12.5 29 31 A S G X S+ 0 0 3 -3,-2.2 3,-2.3 1,-0.3 -1,-0.3 0.758 72.3 76.4 -50.5 -27.5 -21.0 -42.9 10.9 30 32 A R G < S+ 0 0 67 -3,-2.0 -1,-0.3 1,-0.3 -2,-0.2 0.725 86.4 60.1 -57.6 -26.4 -18.2 -45.4 11.8 31 33 A S G < S+ 0 0 91 -3,-2.5 2,-0.4 -4,-0.1 -1,-0.3 0.443 95.1 82.4 -79.3 -7.2 -19.3 -47.6 8.8 32 34 A W S < S- 0 0 36 -3,-2.3 68,-0.2 -4,-0.2 2,-0.2 -0.882 77.5-128.1-104.0 139.6 -18.7 -44.7 6.3 33 35 A A E -E 99 0B 4 66,-2.3 66,-2.3 -2,-0.4 2,-0.4 -0.498 31.7-150.2 -66.8 146.3 -15.4 -43.6 4.7 34 36 A M E -EF 98 51B 4 17,-2.4 17,-2.6 64,-0.2 2,-0.3 -0.936 15.8-176.6-127.3 153.2 -15.0 -40.0 5.3 35 37 A A E -EF 97 50B 1 62,-2.4 62,-2.7 -2,-0.4 2,-0.4 -0.967 20.7-138.9-147.6 149.6 -13.2 -37.5 3.1 36 38 A W E +EF 96 49B 0 13,-2.9 12,-2.6 -2,-0.3 13,-1.7 -0.952 24.3 172.9-108.5 136.0 -12.3 -33.8 3.0 37 39 A F E -EF 95 47B 2 58,-2.4 58,-2.5 -2,-0.4 2,-0.3 -0.833 13.6-153.4-124.0 170.6 -12.6 -31.8 -0.3 38 40 A R E -EF 94 46B 11 8,-2.3 8,-3.0 -2,-0.3 2,-0.4 -0.986 6.6-165.4-147.8 155.2 -12.1 -28.0 -0.7 39 41 A Q E -E 93 0B 57 54,-2.1 54,-2.6 -2,-0.3 6,-0.2 -0.962 9.0-157.1-145.1 124.4 -13.3 -25.4 -3.1 40 42 A A > - 0 0 31 4,-0.4 3,-2.7 -2,-0.4 52,-0.1 -0.771 50.0 -86.6 -93.5 147.4 -12.2 -21.9 -3.8 41 43 A P T 3 S+ 0 0 124 0, 0.0 3,-0.1 0, 0.0 -1,-0.1 -0.289 116.0 13.0 -61.6 131.3 -14.9 -19.7 -5.3 42 44 A G T 3 S+ 0 0 82 1,-0.3 2,-0.2 -3,-0.0 -3,-0.0 0.341 111.7 100.2 86.0 -8.7 -15.0 -20.1 -9.1 43 45 A K S < S- 0 0 145 -3,-2.7 -1,-0.3 1,-0.1 2,-0.1 -0.651 81.2 -93.4-106.9 168.9 -12.7 -23.2 -9.0 44 46 A E - 0 0 172 -2,-0.2 -4,-0.4 -3,-0.1 2,-0.1 -0.455 46.5-102.4 -76.7 148.7 -13.4 -26.9 -9.2 45 47 A R - 0 0 51 -6,-0.2 2,-0.4 -2,-0.1 -6,-0.2 -0.513 44.6-152.0 -65.7 145.2 -13.9 -28.7 -5.9 46 48 A E E -F 38 0B 74 -8,-3.0 -8,-2.3 -2,-0.1 2,-0.2 -0.973 13.5-115.8-130.2 135.9 -10.8 -30.7 -5.2 47 49 A F E +F 37 0B 33 -2,-0.4 -10,-0.3 -10,-0.2 3,-0.1 -0.484 33.7 170.2 -66.7 139.3 -10.1 -33.8 -3.2 48 50 A V E - 0 0 0 -12,-2.6 13,-2.8 1,-0.3 2,-0.3 0.772 55.2 -27.4-116.5 -57.1 -7.9 -33.4 -0.1 49 51 A A E -FG 36 60B 0 -13,-1.7 -13,-2.9 11,-0.3 2,-0.3 -0.992 48.5-162.0-162.3 152.2 -7.9 -36.5 2.0 50 52 A K E -FG 35 59B 12 9,-2.5 9,-1.5 -2,-0.3 2,-0.3 -0.978 1.3-165.4-140.4 164.2 -9.9 -39.6 2.9 51 53 A I E -FG 34 58B 4 -17,-2.6 -17,-2.4 -2,-0.3 7,-0.2 -1.000 23.8-115.1-148.3 140.5 -10.0 -42.3 5.6 52 54 A S > - 0 0 8 5,-2.3 3,-2.0 -2,-0.3 -20,-0.1 -0.261 36.5-101.8 -75.0 162.2 -11.7 -45.7 5.9 53 55 A G T 3 S+ 0 0 17 1,-0.3 -21,-0.2 -22,-0.2 -1,-0.1 0.901 125.5 41.0 -43.1 -51.5 -14.5 -46.5 8.4 54 56 A D T 3 S- 0 0 106 -23,-0.1 -1,-0.3 1,-0.1 18,-0.1 0.398 111.8-119.7 -86.7 5.4 -12.0 -48.3 10.7 55 57 A G S < S+ 0 0 29 -3,-2.0 -2,-0.1 2,-0.2 17,-0.1 0.427 83.8 113.5 76.7 -3.0 -9.2 -45.7 10.1 56 58 A R + 0 0 215 1,-0.1 2,-0.5 -5,-0.1 -1,-0.1 0.744 68.1 53.4 -78.1 -20.8 -6.8 -48.2 8.6 57 59 A L + 0 0 97 2,-0.0 -5,-2.3 0, 0.0 2,-0.3 -0.944 61.1 169.2-115.7 134.3 -6.7 -46.8 5.1 58 60 A T E -G 51 0B 62 -2,-0.5 2,-0.3 -7,-0.2 -7,-0.2 -0.981 7.7-176.2-139.2 151.6 -5.9 -43.1 4.2 59 61 A T E -G 50 0B 57 -9,-1.5 -9,-2.5 -2,-0.3 2,-0.3 -0.987 9.3-156.1-142.1 144.4 -5.2 -41.4 0.9 60 62 A Y E -G 49 0B 46 -2,-0.3 -11,-0.3 -11,-0.2 -12,-0.1 -0.934 24.6-107.0-123.7 150.4 -4.2 -37.7 0.1 61 63 A G >> - 0 0 11 -13,-2.8 3,-1.8 -2,-0.3 4,-1.0 -0.412 40.5-112.6 -66.1 149.4 -4.5 -35.4 -2.9 62 64 A D G >4 S+ 0 0 139 1,-0.3 3,-0.6 2,-0.2 -1,-0.1 0.836 112.8 57.4 -59.4 -33.2 -1.1 -34.8 -4.5 63 65 A S G 34 S+ 0 0 55 1,-0.2 -1,-0.3 3,-0.0 -15,-0.1 0.570 114.0 36.3 -79.3 -9.1 -0.9 -31.1 -3.4 64 66 A V G X> S+ 0 0 0 -3,-1.8 3,-2.3 -16,-0.2 4,-2.0 0.407 81.1 132.0-119.7 -3.2 -1.3 -31.8 0.3 65 67 A K T << S+ 0 0 122 -4,-1.0 4,-0.1 -3,-0.6 -16,-0.0 -0.265 80.7 9.9 -57.3 130.3 0.7 -35.0 0.7 66 68 A G T 34 S+ 0 0 87 2,-0.4 -1,-0.3 1,-0.1 3,-0.1 0.416 124.3 65.5 81.9 -4.0 3.1 -34.9 3.6 67 69 A R T <4 S+ 0 0 29 -3,-2.3 17,-1.7 1,-0.2 2,-0.3 0.590 97.7 50.4-111.2 -31.1 1.6 -31.6 4.9 68 70 A F E < -C 83 0A 3 -4,-2.0 -2,-0.4 15,-0.2 2,-0.4 -0.850 62.1-163.4-115.1 150.6 -1.9 -32.7 6.0 69 71 A T E -C 82 0A 60 13,-2.1 13,-2.8 -2,-0.3 2,-0.4 -0.997 3.8-159.2-134.6 126.9 -3.0 -35.7 8.1 70 72 A I E +C 81 0A 6 -2,-0.4 2,-0.3 11,-0.2 11,-0.2 -0.828 23.4 155.0-104.8 141.9 -6.5 -37.1 8.3 71 73 A S E -C 80 0A 24 9,-1.7 9,-2.9 -2,-0.4 2,-0.3 -0.933 23.2-143.9-152.0 171.9 -7.5 -39.2 11.3 72 74 A R E -C 79 0A 30 -2,-0.3 2,-0.5 7,-0.3 7,-0.2 -0.998 11.3-153.8-149.0 156.1 -10.7 -40.2 13.0 73 75 A D E >> -C 78 0A 8 5,-2.9 5,-2.1 -2,-0.3 4,-1.2 -0.935 9.4-173.2-129.1 100.8 -12.2 -40.9 16.5 74 76 A N T 45S+ 0 0 30 -2,-0.5 -44,-0.2 1,-0.2 -1,-0.1 0.582 81.8 64.8 -77.9 -8.8 -15.1 -43.2 16.2 75 77 A A T 45S+ 0 0 25 277,-0.2 -1,-0.2 1,-0.1 231,-0.1 0.864 116.8 26.8 -72.9 -39.4 -15.9 -42.8 19.9 76 78 A E T 45S- 0 0 51 -3,-0.4 -2,-0.2 2,-0.1 -52,-0.2 0.491 108.1-123.9 -97.1 -6.7 -16.8 -39.1 19.4 77 79 A Y T <5 + 0 0 74 -4,-1.2 -53,-2.8 1,-0.2 2,-0.4 0.873 64.1 139.3 62.9 40.1 -17.8 -39.6 15.7 78 80 A L E < -BC 23 73A 14 -5,-2.1 -5,-2.9 -55,-0.2 2,-0.4 -0.883 41.9-160.1-112.7 146.2 -15.2 -37.0 14.6 79 81 A V E -BC 22 72A 6 -57,-2.0 -57,-2.8 -2,-0.4 2,-0.3 -0.985 20.7-153.0-119.5 138.7 -12.9 -37.0 11.6 80 82 A Y E -BC 21 71A 4 -9,-2.9 -9,-1.7 -2,-0.4 2,-0.5 -0.832 15.6-161.8-115.8 147.8 -10.0 -34.6 11.9 81 83 A L E -BC 20 70A 0 -61,-3.0 -61,-3.0 -2,-0.3 2,-0.7 -0.943 7.8-166.1-127.2 112.5 -7.8 -32.8 9.4 82 84 A Q E -BC 19 69A 53 -13,-2.8 -13,-2.1 -2,-0.5 2,-0.5 -0.865 10.1-164.4 -93.7 118.5 -4.5 -31.5 10.7 83 85 A M E +BC 18 68A 0 -65,-3.0 -65,-1.8 -2,-0.7 2,-0.3 -0.891 10.5 177.9-112.4 121.5 -3.0 -29.0 8.2 84 86 A D + 0 0 72 -17,-1.7 -67,-0.2 -2,-0.5 -68,-0.2 -0.843 59.9 20.6-117.8 161.7 0.6 -28.1 8.5 85 87 A S S S- 0 0 65 -70,-0.6 -69,-0.2 -2,-0.3 -1,-0.2 0.870 84.7-156.2 52.8 48.9 2.9 -25.8 6.5 86 88 A L - 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