==== 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 3QXU . COMPND 2 MOLECULE: ANTI-METHOTREXATE CDR1-3 GRAFT; . SOURCE 2 ORGANISM_SCIENTIFIC: LAMA GLAMA; . AUTHOR S.W.FANNING,J.R.HORN . 493 6 4 3 1 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 22962.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 290 58.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 20 4.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 174 35.3 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 6 1.2 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 . 1 0.2 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 . 23 4.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 46 9.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 11 2.2 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+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 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 8 5 5 5 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 . 0 0 4 0 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 3 A Q 0 0 222 0, 0.0 2,-0.2 0, 0.0 24,-0.1 0.000 360.0 360.0 360.0 -30.1 -57.6 16.2 16.6 2 4 A V - 0 0 19 22,-0.1 2,-0.4 23,-0.0 22,-0.0 -0.488 360.0-165.5 -56.9 129.8 -55.4 14.5 14.0 3 5 A Q - 0 0 116 -2,-0.2 22,-1.7 110,-0.1 2,-0.4 -0.979 15.1-160.1-121.7 139.6 -53.5 11.7 15.8 4 6 A L E -A 24 0A 7 110,-0.4 2,-0.5 -2,-0.4 112,-0.4 -0.970 11.0-166.2-115.2 133.3 -50.4 9.8 14.7 5 7 A V E -A 23 0A 92 18,-2.2 18,-1.9 -2,-0.4 2,-0.3 -0.974 3.1-157.7-128.1 121.3 -49.8 6.5 16.4 6 8 A E E +A 22 0A 21 -2,-0.5 2,-0.3 16,-0.2 16,-0.3 -0.626 15.3 170.3 -94.0 153.3 -46.5 4.6 16.1 7 9 A S E +A 21 0A 62 14,-2.7 14,-2.6 -2,-0.3 111,-0.1 -0.945 42.2 64.9-150.3 164.7 -45.9 1.0 16.7 8 10 A G + 0 0 38 -2,-0.3 11,-0.5 1,-0.3 -1,-0.1 0.417 60.2 137.3 108.5 -4.6 -43.2 -1.6 16.2 9 11 A G + 0 0 30 12,-0.1 2,-0.3 9,-0.1 -1,-0.3 -0.204 20.6 137.5 -71.9 167.7 -40.5 -0.5 18.6 10 12 A G E -d 120 0B 28 109,-0.6 111,-2.6 108,-0.1 2,-0.5 -0.979 53.7 -78.9 178.3-169.5 -38.6 -2.9 20.8 11 13 A L E +d 121 0B 126 -2,-0.3 2,-0.3 109,-0.2 111,-0.2 -0.985 54.1 166.3-123.1 120.2 -35.4 -4.0 22.3 12 14 A V E -d 122 0B 36 109,-2.5 111,-3.3 -2,-0.5 2,-0.2 -0.933 37.9 -99.5-142.8 154.4 -33.2 -6.1 20.0 13 15 A Q E > -d 123 0B 149 -2,-0.3 3,-2.1 109,-0.2 111,-0.2 -0.522 53.0 -89.9 -74.7 144.0 -29.8 -7.4 19.5 14 16 A A T 3 S+ 0 0 39 109,-3.2 73,-0.2 1,-0.3 -1,-0.1 -0.125 114.6 32.5 -50.3 138.3 -27.3 -5.5 17.2 15 17 A G T 3 S+ 0 0 56 71,-3.1 70,-0.6 1,-0.3 -1,-0.3 0.166 99.1 111.4 95.7 -14.8 -27.5 -6.7 13.6 16 18 A G < - 0 0 28 -3,-2.1 70,-2.4 70,-0.2 -1,-0.3 0.019 60.8-123.7 -83.6-173.2 -31.1 -7.4 14.0 17 19 A S - 0 0 57 67,-0.2 2,-0.3 68,-0.2 67,-0.2 -0.897 19.4-175.8-128.1 160.1 -34.1 -5.6 12.3 18 20 A L E - B 0 83A 25 65,-1.8 65,-3.5 -2,-0.3 2,-0.4 -0.938 15.8-144.0-142.8 162.6 -37.3 -3.9 13.4 19 21 A R E - B 0 82A 109 -11,-0.5 2,-0.3 -2,-0.3 63,-0.2 -0.943 13.0-158.6-130.0 115.2 -40.2 -2.4 11.4 20 22 A L E - B 0 81A 0 61,-2.9 61,-2.4 -2,-0.4 2,-0.3 -0.659 9.1-167.7 -88.7 147.4 -41.9 0.7 12.7 21 23 A S E -AB 7 80A 32 -14,-2.6 -14,-2.7 -2,-0.3 2,-0.4 -0.956 7.1-173.3-128.3 156.1 -45.4 1.6 11.6 22 24 A a E -AB 6 79A 1 57,-1.7 57,-2.0 -2,-0.3 2,-0.4 -0.983 1.1-171.7-150.0 129.7 -47.4 4.8 11.9 23 25 A A E -AB 5 78A 52 -18,-1.9 -18,-2.2 -2,-0.4 2,-0.2 -0.991 15.5-140.6-123.2 133.0 -51.0 5.4 11.0 24 26 A A E -A 4 0A 20 53,-2.3 -20,-0.2 -2,-0.4 53,-0.1 -0.618 24.5-117.8 -81.0 157.0 -52.8 8.8 11.1 25 27 A S S S+ 0 0 74 -22,-1.7 2,-0.3 -2,-0.2 -21,-0.1 0.523 91.7 16.1 -74.8 -9.4 -56.4 9.1 12.3 26 28 A R S S- 0 0 121 -23,-0.2 2,-0.2 51,-0.1 51,-0.2 -0.995 72.1-115.2-154.3 164.0 -57.6 10.2 8.9 27 29 A R - 0 0 164 -2,-0.3 2,-0.3 49,-0.1 49,-0.1 -0.501 32.0-144.7 -87.1 167.6 -56.8 10.5 5.1 28 30 A S - 0 0 20 -2,-0.2 3,-0.1 47,-0.1 -2,-0.0 -0.911 27.7-106.2-132.7 160.6 -56.4 13.9 3.6 29 31 A S S S+ 0 0 140 -2,-0.3 2,-0.5 1,-0.2 -1,-0.1 0.831 119.2 28.8 -61.8 -37.3 -57.4 15.2 0.1 30 32 A R S S- 0 0 131 -3,-0.0 -1,-0.2 0, 0.0 24,-0.0 -1.000 104.3-113.8-111.8 123.2 -53.6 15.1 -0.8 31 33 A S - 0 0 25 -2,-0.5 22,-0.1 1,-0.1 2,-0.1 -0.314 36.7-113.8 -51.8 139.3 -51.8 12.5 1.2 32 34 A W - 0 0 21 21,-0.1 68,-0.2 1,-0.1 2,-0.2 -0.404 22.0-110.6 -71.9 147.0 -49.3 14.2 3.6 33 35 A A E -E 99 0B 4 66,-2.1 66,-2.6 -2,-0.1 2,-0.3 -0.572 43.5-154.2 -61.6 142.1 -45.5 13.8 3.3 34 36 A M E -EF 98 51B 0 17,-2.1 17,-2.4 64,-0.2 2,-0.3 -0.942 15.5-179.0-127.1 158.9 -44.5 11.7 6.3 35 37 A A E -EF 97 50B 1 62,-2.4 62,-1.9 -2,-0.3 2,-0.4 -0.936 21.3-135.9-149.3 160.9 -41.3 11.4 8.2 36 38 A W E +EF 96 49B 0 13,-3.0 12,-2.7 -2,-0.3 13,-1.8 -0.985 22.4 177.2-119.9 140.5 -39.4 9.7 11.0 37 39 A F E -EF 95 47B 2 58,-2.3 58,-2.9 -2,-0.4 2,-0.3 -0.860 12.6-149.3-126.1 169.3 -37.3 11.4 13.5 38 40 A R E -EF 94 46B 16 8,-2.5 8,-3.0 -2,-0.3 2,-0.4 -0.999 5.5-164.1-144.3 148.5 -35.4 10.1 16.6 39 41 A Q E +E 93 0B 8 54,-2.4 54,-2.8 -2,-0.3 6,-0.1 -0.992 9.0 174.3-133.0 133.7 -34.4 11.5 19.9 40 42 A A > - 0 0 26 3,-0.4 3,-1.8 -2,-0.4 52,-0.1 -0.922 46.5 -76.9-130.6 163.2 -31.8 10.3 22.4 41 43 A P T 3 S+ 0 0 84 0, 0.0 343,-0.1 0, 0.0 3,-0.1 -0.242 115.6 15.2 -65.4 141.6 -30.6 11.9 25.7 42 44 A G T 3 S+ 0 0 59 451,-0.2 2,-0.4 1,-0.1 342,-0.0 0.448 111.4 90.0 82.5 2.5 -28.2 14.7 25.3 43 45 A K S < S- 0 0 127 -3,-1.8 -3,-0.4 450,-0.1 -1,-0.1 -0.988 79.7-108.8-135.5 142.8 -28.9 15.2 21.6 44 46 A E - 0 0 121 -2,-0.4 -4,-0.1 1,-0.1 -6,-0.1 -0.376 52.3 -89.2 -63.5 140.3 -31.4 17.3 19.6 45 47 A R - 0 0 34 -6,-0.1 2,-0.4 1,-0.1 -6,-0.3 -0.331 56.0-149.3 -49.9 130.9 -34.2 15.3 18.0 46 48 A E E -F 38 0B 76 -8,-3.0 -8,-2.5 -3,-0.1 2,-0.2 -0.843 13.2-110.3-120.0 145.1 -32.9 14.3 14.5 47 49 A F E +F 37 0B 36 -2,-0.4 -10,-0.3 -10,-0.2 3,-0.1 -0.462 33.3 171.3 -66.0 137.5 -34.3 13.7 11.2 48 50 A V E - 0 0 1 -12,-2.7 13,-3.0 1,-0.4 2,-0.3 0.781 57.5 -26.6-114.6 -53.5 -34.2 10.0 10.1 49 51 A A E -FG 36 60B 0 -13,-1.8 -13,-3.0 11,-0.3 -1,-0.4 -0.985 50.0-165.2-161.4 156.1 -36.2 9.7 6.8 50 52 A K E -FG 35 59B 11 9,-2.4 9,-1.9 -2,-0.3 2,-0.3 -0.988 3.9-160.3-143.5 162.6 -39.1 11.2 4.8 51 53 A I E -FG 34 58B 7 -17,-2.4 -17,-2.1 -2,-0.3 7,-0.2 -0.985 27.2-112.9-144.0 136.6 -41.4 10.3 1.9 52 54 A S > - 0 0 1 5,-2.3 3,-1.8 -2,-0.3 -18,-0.1 -0.253 34.8-103.2 -66.7 161.0 -43.4 12.6 -0.2 53 55 A G T 3 S+ 0 0 18 1,-0.3 22,-0.4 -22,-0.1 23,-0.1 0.886 124.9 45.3 -49.2 -43.3 -47.3 12.6 -0.2 54 56 A D T 3 S- 0 0 58 20,-0.1 -1,-0.3 21,-0.1 -21,-0.1 0.353 109.4-123.7 -85.5 -0.3 -47.2 10.7 -3.5 55 57 A G S < S+ 0 0 28 -3,-1.8 -2,-0.1 2,-0.2 17,-0.1 0.427 82.0 112.4 73.8 5.1 -44.5 8.2 -2.4 56 58 A R S S+ 0 0 91 1,-0.1 2,-0.4 -5,-0.0 307,-0.2 0.745 70.2 49.6 -82.2 -23.9 -42.3 9.1 -5.3 57 59 A L + 0 0 3 2,-0.0 -5,-2.3 308,-0.0 2,-0.3 -0.931 59.6 169.4-123.3 136.3 -39.5 10.9 -3.3 58 60 A T E -G 51 0B 36 -2,-0.4 2,-0.3 -7,-0.2 -7,-0.2 -0.990 6.2-176.4-136.8 153.3 -37.6 9.7 -0.2 59 61 A T E -G 50 0B 39 -9,-1.9 -9,-2.4 -2,-0.3 2,-0.3 -0.984 7.5-156.1-146.1 161.8 -34.6 10.9 1.6 60 62 A Y E -G 49 0B 41 -2,-0.3 -11,-0.3 -11,-0.2 -12,-0.1 -0.934 26.8-101.2-132.2 150.7 -32.6 9.6 4.6 61 63 A G >> - 0 0 12 -13,-3.0 3,-1.6 -2,-0.3 4,-1.2 -0.368 41.5-112.2 -64.5 151.4 -30.3 10.9 7.3 62 64 A D T 34 S+ 0 0 151 1,-0.3 3,-0.4 2,-0.2 -1,-0.1 0.859 114.0 55.8 -56.7 -41.4 -26.6 10.3 6.5 63 65 A S T 34 S+ 0 0 63 1,-0.2 -1,-0.3 3,-0.0 -15,-0.1 0.651 115.8 34.7 -70.0 -12.2 -26.3 7.8 9.5 64 66 A V T X> S+ 0 0 1 -3,-1.6 3,-2.3 -16,-0.2 4,-2.1 0.497 81.8 126.0-120.1 -4.2 -29.1 5.5 8.3 65 67 A K T 3< S+ 0 0 141 -4,-1.2 4,-0.1 -3,-0.4 -16,-0.0 -0.264 80.4 16.4 -67.3 131.3 -28.9 5.6 4.6 66 68 A G T 34 S+ 0 0 78 2,-0.4 -1,-0.3 1,-0.1 3,-0.1 0.225 124.0 60.6 95.2 -23.2 -28.6 2.1 3.1 67 69 A R T <4 S+ 0 0 29 -3,-2.3 17,-2.2 1,-0.1 2,-0.3 0.733 98.5 50.8-104.4 -34.8 -29.8 0.5 6.3 68 70 A F E < -C 83 0A 3 -4,-2.1 -2,-0.4 15,-0.2 2,-0.4 -0.800 63.2-161.0-104.6 150.2 -33.3 1.9 6.8 69 71 A T E -C 82 0A 73 13,-2.3 13,-2.8 -2,-0.3 2,-0.3 -0.990 3.6-156.3-133.1 128.0 -36.1 2.0 4.2 70 72 A I E +C 81 0A 7 -2,-0.4 2,-0.3 11,-0.2 11,-0.2 -0.771 22.3 159.6-101.3 143.9 -39.1 4.3 4.4 71 73 A S E -C 80 0A 40 9,-1.7 9,-2.5 -2,-0.3 2,-0.3 -0.940 16.8-161.3-150.9 166.0 -42.4 3.4 2.6 72 74 A R - 0 0 27 -2,-0.3 2,-0.3 7,-0.2 7,-0.2 -0.963 31.1 -97.3-144.5 169.5 -46.1 4.4 2.8 73 75 A D > - 0 0 49 -2,-0.3 3,-1.9 5,-0.3 5,-0.4 -0.723 52.0-102.1 -87.7 137.1 -49.5 3.0 1.7 74 76 A K T 3 S+ 0 0 207 -2,-0.3 3,-0.1 1,-0.3 -20,-0.1 -0.409 103.8 2.8 -61.4 126.3 -50.6 4.8 -1.6 75 77 A G T 3 S+ 0 0 33 -22,-0.4 2,-0.4 1,-0.2 -1,-0.3 0.639 112.2 101.4 76.9 6.7 -53.3 7.4 -0.7 76 78 A K S < S- 0 0 82 -3,-1.9 2,-1.3 -23,-0.1 -1,-0.2 -0.940 76.3-124.3-117.6 156.2 -53.1 6.8 3.1 77 79 A N S S+ 0 0 3 -2,-0.4 -53,-2.3 -51,-0.2 2,-0.3 -0.534 73.6 114.2 -93.4 65.7 -51.4 8.8 5.8 78 80 A T E -B 23 0A 15 -2,-1.3 2,-0.3 -5,-0.4 -5,-0.3 -0.879 41.9-174.1-126.8 161.9 -49.4 5.8 7.0 79 81 A V E -B 22 0A 0 -57,-2.0 -57,-1.7 -2,-0.3 2,-0.3 -0.979 7.4-156.9-158.8 147.7 -45.7 5.3 6.9 80 82 A Y E -BC 21 71A 44 -9,-2.5 -9,-1.7 -2,-0.3 2,-0.4 -0.956 5.9-158.0-127.3 150.4 -43.3 2.5 7.7 81 83 A L E -BC 20 70A 0 -61,-2.4 -61,-2.9 -2,-0.3 2,-0.6 -0.913 7.5-161.0-129.6 110.5 -39.6 2.4 8.6 82 84 A Q E -BC 19 69A 50 -13,-2.8 -13,-2.3 -2,-0.4 2,-0.7 -0.746 13.1-162.3 -86.1 119.6 -37.9 -0.9 7.9 83 85 A M E +BC 18 68A 0 -65,-3.5 -65,-1.8 -2,-0.6 3,-0.3 -0.893 13.5 174.8-112.3 105.8 -34.7 -0.9 10.1 84 86 A D + 0 0 59 -17,-2.2 -67,-0.2 -2,-0.7 -68,-0.1 -0.659 59.3 22.5-104.5 162.3 -32.0 -3.4 9.1 85 87 A S S S- 0 0 70 -70,-0.6 -1,-0.2 -2,-0.2 -69,-0.2 0.886 84.3-156.2 53.9 48.4 -28.5 -3.9 10.4 86 88 A L - 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