==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=24-JUL-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER IMMUNE SYSTEM 29-MAR-10 2XA3 . COMPND 2 MOLECULE: LLAMA HEAVY CHAIN ANTIBODY D7; . SOURCE 2 ORGANISM_SCIENTIFIC: LAMA GLAMA; . AUTHOR A.HINZ,D.LUTJEHULSIK,A.FORSMAN,W.KOH,H.BELRHALI,A.GORLANI, . 127 1 1 1 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 6741.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 76 59.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 5 3.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 47 37.0 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 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 . 6 4.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 10 7.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 3 2.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 1 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 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 . 0 1 2 1 0 3 0 1 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 1 0 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 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 1 A A 0 0 126 0, 0.0 2,-0.5 0, 0.0 115,-0.0 0.000 360.0 360.0 360.0 152.3 -7.1 31.4 -10.4 2 2 A V - 0 0 12 96,-0.1 2,-0.3 26,-0.1 115,-0.2 -0.966 360.0-154.9-109.8 131.6 -7.0 27.7 -9.3 3 3 A Q - 0 0 153 -2,-0.5 22,-2.1 113,-0.1 2,-0.3 -0.862 10.8-169.4-106.7 149.4 -4.9 26.8 -6.3 4 4 A L E -A 24 0A 4 113,-0.4 2,-0.4 -2,-0.3 115,-0.2 -0.989 9.1-170.9-139.6 139.6 -3.5 23.3 -5.7 5 5 A Q E -A 23 0A 120 18,-2.0 18,-2.7 -2,-0.3 2,-0.2 -0.956 14.2-144.2-140.4 122.0 -1.8 21.5 -2.8 6 6 A E E +A 22 0A 16 -2,-0.4 2,-0.3 16,-0.2 16,-0.2 -0.465 17.4 179.7 -76.2 147.0 -0.2 18.1 -2.9 7 7 A S E +A 21 0A 65 14,-2.6 14,-2.4 -2,-0.2 2,-0.1 -0.929 45.8 47.8-139.5 169.9 -0.2 15.7 -0.0 8 8 A G + 0 0 43 -2,-0.3 2,-0.2 12,-0.2 12,-0.2 -0.257 58.5 122.0 82.6 174.2 1.2 12.2 0.3 9 9 A G + 0 0 28 10,-0.3 2,-0.3 -2,-0.1 114,-0.2 -0.731 17.6 122.4 123.8-176.0 4.8 11.4 -0.7 10 10 A G E -d 123 0B 36 112,-2.4 114,-2.5 -2,-0.2 2,-0.4 -0.788 62.5 -34.2 121.1-162.2 7.8 10.0 1.1 11 11 A L E +d 124 0B 124 -2,-0.3 2,-0.3 112,-0.2 114,-0.2 -0.821 52.7 171.8-105.4 134.8 10.2 7.1 0.7 12 12 A V E -d 125 0B 27 112,-2.5 114,-2.5 -2,-0.4 2,-0.2 -0.986 33.7-109.6-139.9 151.8 9.2 3.7 -0.6 13 13 A Q E > -d 126 0B 147 -2,-0.3 3,-2.5 112,-0.2 73,-0.2 -0.554 50.5 -87.8 -77.4 144.6 11.1 0.6 -1.6 14 14 A A T 3 S+ 0 0 42 112,-2.7 73,-0.2 1,-0.3 -1,-0.1 -0.204 119.1 31.5 -50.0 138.7 11.2 -0.3 -5.3 15 15 A G T 3 S+ 0 0 57 71,-3.1 70,-0.6 1,-0.3 -1,-0.3 0.165 102.1 113.0 91.4 -16.0 8.2 -2.4 -6.3 16 16 A G < - 0 0 23 -3,-2.5 70,-2.5 70,-0.3 -1,-0.3 -0.057 59.5-121.6 -84.1-176.2 6.1 -0.6 -3.7 17 17 A S + 0 0 65 67,-0.2 2,-0.3 68,-0.2 67,-0.2 -0.808 21.8 176.3-124.1 163.9 3.2 1.8 -3.9 18 18 A L E - B 0 83A 25 65,-2.1 65,-3.1 -2,-0.3 2,-0.5 -0.913 19.1-141.5-163.6 144.9 2.3 5.3 -2.8 19 19 A R E - B 0 82A 110 -2,-0.3 2,-0.3 63,-0.2 -10,-0.3 -0.952 12.1-161.5-116.9 120.9 -0.8 7.5 -3.3 20 20 A L E - B 0 81A 0 61,-2.8 61,-2.4 -2,-0.5 2,-0.3 -0.773 7.3-161.2 -95.2 144.5 -0.5 11.2 -3.9 21 21 A S E -AB 7 80A 30 -14,-2.4 -14,-2.6 -2,-0.3 2,-0.4 -0.907 6.0-160.1-120.6 152.2 -3.4 13.6 -3.4 22 22 A a E -AB 6 79A 0 57,-1.8 57,-2.2 -2,-0.3 2,-0.4 -0.982 9.4-150.2-132.8 121.2 -4.0 17.0 -4.7 23 23 A T E -AB 5 78A 79 -18,-2.7 -18,-2.0 -2,-0.4 2,-0.4 -0.770 16.4-153.0 -92.0 136.1 -6.5 19.3 -3.1 24 24 A V E -A 4 0A 7 53,-2.7 -20,-0.2 -2,-0.4 4,-0.1 -0.849 29.3 -90.3-115.9 141.4 -8.2 21.8 -5.4 25 25 A S > - 0 0 35 -22,-2.1 3,-2.0 -2,-0.4 -1,-0.1 -0.285 44.3-122.6 -54.2 131.0 -9.7 25.2 -4.7 26 26 A A T 3 S+ 0 0 72 1,-0.3 -1,-0.1 50,-0.0 51,-0.1 0.701 103.6 49.3 -55.3 -32.1 -13.3 24.6 -3.9 27 27 A R T 3 S+ 0 0 244 50,-0.0 -1,-0.3 2,-0.0 2,-0.2 0.171 75.0 138.4-102.7 23.1 -14.9 26.8 -6.5 28 28 A T < - 0 0 19 -3,-2.0 4,-0.1 -25,-0.1 -26,-0.1 -0.461 51.3-126.2 -62.1 130.3 -12.9 25.5 -9.4 29 29 A S - 0 0 53 -2,-0.2 -1,-0.1 2,-0.1 3,-0.1 -0.208 17.8-109.4 -75.1 169.6 -15.1 25.1 -12.5 30 30 A S S S+ 0 0 69 1,-0.2 2,-2.1 24,-0.0 24,-0.3 0.629 97.2 93.9 -72.9 -13.6 -15.5 21.9 -14.6 31 31 A S S S+ 0 0 40 22,-0.1 70,-2.7 23,-0.1 2,-0.3 -0.260 71.5 92.7 -80.1 53.5 -13.6 23.6 -17.5 32 32 A H E -E 100 0B 10 -2,-2.1 21,-2.4 68,-0.3 22,-0.6 -0.950 63.2-139.5-141.3 156.9 -10.2 22.2 -16.5 33 33 A D E -EF 99 52B 3 66,-2.3 66,-2.3 -2,-0.3 2,-0.4 -0.956 22.5-151.7-108.8 140.6 -7.7 19.4 -17.0 34 34 A M E +EF 98 51B 0 17,-2.7 17,-2.3 -2,-0.4 2,-0.3 -0.962 23.2 174.4-113.4 130.9 -5.8 18.3 -13.8 35 35 A G E -EF 97 50B 0 62,-2.9 62,-2.2 -2,-0.4 2,-0.4 -0.806 29.7-134.5-133.6 165.6 -2.4 16.8 -14.2 36 36 A W E +EF 96 49B 0 13,-2.9 12,-2.5 -2,-0.3 13,-1.8 -0.990 24.6 176.1-120.0 136.4 0.7 15.5 -12.5 37 37 A F E -EF 95 47B 10 58,-2.6 58,-3.0 -2,-0.4 2,-0.3 -0.837 10.2-156.6-126.7 164.7 4.2 16.5 -13.5 38 38 A R E -EF 94 46B 19 8,-2.3 8,-2.8 -2,-0.3 2,-0.4 -0.993 8.8-167.4-145.7 153.8 7.6 15.6 -12.0 39 39 A Q E -E 93 0B 69 54,-2.2 54,-2.5 -2,-0.3 6,-0.2 -0.957 5.2-161.8-142.3 121.0 11.1 17.0 -11.8 40 40 A A > - 0 0 22 4,-0.4 3,-2.3 -2,-0.4 52,-0.1 -0.776 45.6 -87.3 -92.3 147.2 14.2 15.2 -10.6 41 41 A P T 3 S+ 0 0 119 0, 0.0 3,-0.1 0, 0.0 -1,-0.1 -0.299 116.8 20.5 -53.9 132.7 17.2 17.4 -9.7 42 42 A G T 3 S+ 0 0 87 1,-0.3 2,-0.2 -3,-0.0 -3,-0.0 0.160 112.8 90.0 92.9 -17.4 19.4 18.1 -12.8 43 43 A K S < S- 0 0 133 -3,-2.3 -1,-0.3 1,-0.1 2,-0.1 -0.721 79.1-104.3-114.5 161.5 16.5 17.3 -15.2 44 44 A E - 0 0 162 -2,-0.2 -4,-0.4 1,-0.1 -6,-0.1 -0.453 47.1 -91.7 -76.2 153.5 13.7 19.2 -16.8 45 45 A R - 0 0 128 -6,-0.2 2,-0.4 -2,-0.1 -6,-0.2 -0.328 48.1-161.6 -59.0 144.5 10.1 18.9 -15.6 46 46 A E E -F 38 0B 59 -8,-2.8 -8,-2.3 -3,-0.1 2,-0.1 -0.996 20.6-108.8-136.2 142.1 8.2 16.1 -17.4 47 47 A F E +F 37 0B 23 -2,-0.4 -10,-0.2 -10,-0.2 3,-0.1 -0.358 33.7 172.2 -58.7 140.5 4.5 15.3 -17.8 48 48 A V E - 0 0 0 -12,-2.5 13,-2.5 1,-0.4 2,-0.3 0.715 56.0 -26.4-114.9 -54.3 3.3 12.3 -15.9 49 49 A A E -FG 36 60B 0 -13,-1.8 -13,-2.9 11,-0.2 -1,-0.4 -0.989 49.6-164.4-162.1 155.7 -0.5 12.0 -16.2 50 50 A A E -FG 35 59B 0 9,-2.3 9,-2.0 -2,-0.3 2,-0.3 -0.990 2.2-166.1-147.0 157.3 -3.6 14.0 -16.8 51 51 A I E -FG 34 58B 8 -17,-2.3 -17,-2.7 -2,-0.3 2,-0.4 -0.997 30.3-115.4-142.0 135.6 -7.4 13.7 -16.4 52 52 A S E > -F 33 0B 2 5,-2.3 4,-1.6 -2,-0.3 -19,-0.2 -0.598 20.9-147.2 -69.2 127.6 -10.2 15.9 -17.8 53 52AA W T 4 S+ 0 0 4 -21,-2.4 -1,-0.2 -2,-0.4 -20,-0.1 0.771 95.9 36.9 -69.9 -25.3 -11.9 17.4 -14.7 54 53 A S T 4 S+ 0 0 71 -22,-0.6 -1,-0.2 -24,-0.3 -23,-0.1 0.896 131.2 21.2 -91.0 -47.5 -15.3 17.3 -16.6 55 54 A G T 4 S- 0 0 48 52,-0.2 -2,-0.2 -25,-0.1 52,-0.1 0.575 89.4-128.1-107.1 -12.7 -15.2 14.1 -18.6 56 55 A G < + 0 0 29 -4,-1.6 2,-0.1 1,-0.2 -3,-0.1 0.496 49.4 153.4 81.0 2.9 -12.7 11.9 -16.9 57 56 A T - 0 0 54 50,-0.2 -5,-2.3 -6,-0.1 2,-0.3 -0.447 29.3-152.6 -64.4 138.0 -10.6 11.0 -20.0 58 57 A T E -G 51 0B 55 -7,-0.2 2,-0.3 -2,-0.1 -7,-0.2 -0.776 17.8-172.4-115.6 159.7 -7.0 10.2 -19.0 59 58 A N E -G 50 0B 44 -9,-2.0 -9,-2.3 -2,-0.3 2,-0.3 -0.988 8.3-166.6-147.2 144.2 -3.5 10.3 -20.6 60 59 A Y E -G 49 0B 35 -2,-0.3 -11,-0.2 -11,-0.2 2,-0.2 -0.969 28.8-109.8-132.6 148.5 -0.2 9.0 -19.4 61 60 A V >> - 0 0 36 -13,-2.5 3,-1.9 -2,-0.3 4,-0.9 -0.503 42.6-115.1 -67.2 143.6 3.5 9.4 -20.2 62 61 A D G >4 S+ 0 0 121 1,-0.3 3,-0.8 2,-0.2 -1,-0.1 0.849 109.7 62.6 -53.9 -39.3 4.6 6.1 -21.7 63 62 A S G 34 S+ 0 0 47 1,-0.2 -1,-0.3 3,-0.0 -15,-0.0 0.576 109.6 39.0 -70.1 -9.8 7.1 5.3 -18.9 64 63 A V G X> S+ 0 0 0 -3,-1.9 3,-2.5 -16,-0.2 4,-2.4 0.473 81.2 124.8-115.5 -5.3 4.3 5.1 -16.3 65 64 A K T << S+ 0 0 115 -4,-0.9 4,-0.1 -3,-0.8 -3,-0.0 -0.314 82.4 16.5 -54.7 131.0 1.6 3.4 -18.3 66 65 A G T 34 S+ 0 0 86 2,-0.4 -1,-0.3 1,-0.1 3,-0.1 0.326 125.9 60.0 86.3 -6.6 0.4 0.3 -16.4 67 66 A R T <4 S+ 0 0 32 -3,-2.5 17,-2.0 1,-0.3 2,-0.3 0.716 100.0 44.7-118.1 -44.2 2.1 1.4 -13.2 68 67 A F E < -C 83 0A 7 -4,-2.4 -2,-0.4 15,-0.2 2,-0.4 -0.791 61.6-164.4-105.7 151.2 0.4 4.7 -12.3 69 68 A D E -C 82 0A 83 13,-2.3 13,-2.9 -2,-0.3 2,-0.4 -0.984 6.1-153.9-137.9 124.3 -3.3 5.6 -12.3 70 69 A I E +C 81 0A 4 -2,-0.4 2,-0.3 11,-0.2 11,-0.2 -0.782 23.6 163.2 -96.4 137.6 -4.7 9.1 -12.2 71 70 A S E -C 80 0A 32 9,-1.8 9,-2.8 -2,-0.4 2,-0.3 -0.918 18.5-149.9-144.6 171.7 -8.2 9.6 -10.8 72 71 A K E -C 79 0A 63 -2,-0.3 2,-0.3 7,-0.2 7,-0.2 -0.949 13.1-157.5-142.8 160.6 -10.4 12.4 -9.5 73 72 A D E >>> -C 78 0A 49 5,-2.8 5,-2.0 -2,-0.3 3,-0.8 -0.796 10.8-178.7-138.7 93.1 -13.2 13.1 -7.1 74 73 A N G >45S+ 0 0 55 -2,-0.3 3,-0.9 1,-0.2 -1,-0.1 0.855 81.2 62.5 -61.3 -35.1 -15.0 16.3 -8.1 75 74 A A G 345S+ 0 0 96 1,-0.3 -1,-0.2 2,-0.1 -2,-0.0 0.809 115.0 32.7 -61.4 -29.7 -17.4 16.1 -5.1 76 75 A K G <45S- 0 0 147 -3,-0.8 -1,-0.3 2,-0.1 -2,-0.2 0.354 109.1-119.7-106.1 4.4 -14.4 16.4 -2.8 77 76 A N T <<5 + 0 0 37 -3,-0.9 -53,-2.7 -4,-0.5 2,-0.3 0.937 68.7 136.0 52.8 52.3 -12.3 18.7 -5.0 78 77 A A E < -BC 23 73A 10 -5,-2.0 -5,-2.8 -55,-0.2 2,-0.4 -0.958 40.7-167.6-131.5 144.8 -9.5 16.1 -5.1 79 78 A V E -BC 22 72A 0 -57,-2.2 -57,-1.8 -2,-0.3 2,-0.3 -0.999 17.5-159.9-131.2 138.4 -7.2 14.5 -7.8 80 79 A Y E -BC 21 71A 40 -9,-2.8 -9,-1.8 -2,-0.4 2,-0.5 -0.845 18.1-160.5-121.2 147.5 -5.1 11.4 -7.1 81 80 A L E -BC 20 70A 0 -61,-2.4 -61,-2.8 -2,-0.3 2,-0.7 -0.941 12.9-161.7-123.7 109.0 -2.0 9.7 -8.4 82 81 A Q E -BC 19 69A 41 -13,-2.9 -13,-2.3 -2,-0.5 2,-0.7 -0.825 9.7-162.3 -87.9 115.5 -1.8 6.0 -7.4 83 82 A M E +BC 18 68A 0 -65,-3.1 -65,-2.1 -2,-0.7 2,-0.3 -0.891 15.9 169.7-105.7 111.1 1.7 5.0 -8.0 84 82AA N + 0 0 60 -17,-2.0 -67,-0.2 -2,-0.7 -68,-0.2 -0.766 59.0 25.1-112.3 165.1 2.2 1.2 -8.1 85 82BA S S S- 0 0 64 -70,-0.6 -1,-0.2 -2,-0.3 -69,-0.2 0.912 85.1-157.4 51.4 48.5 5.3 -0.8 -9.1 86 82CA L - 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