==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=15-FEB-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER IMMUNE SYSTEM 12-DEC-12 4IDL . COMPND 2 MOLECULE: SINGLE DOMAIN ANTIBODY VHH A9; . SOURCE 2 ORGANISM_SCIENTIFIC: LAMA GLAMA; . AUTHOR P.M.LEGLER,A.LAM,W.G.J.HOL . 123 1 1 1 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 6895.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 83 67.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 5 4.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 55 44.7 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, 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 0.8 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-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 . 9 7.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 10 8.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 1 0.8 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 0 2 0 0 4 1 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 K 0 0 118 0, 0.0 26,-3.1 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 -99.0 -1.0 1.3 30.8 2 2 A V E -A 26 0A 2 24,-0.3 2,-0.3 25,-0.1 24,-0.2 -0.991 360.0-171.1-127.6 120.4 -0.4 1.6 27.0 3 3 A Q E -A 25 0A 116 22,-2.2 22,-2.3 -2,-0.4 2,-0.4 -0.848 5.7-154.9-113.7 148.4 -1.5 -1.3 24.7 4 4 A L E -A 24 0A 12 109,-0.4 2,-0.4 -2,-0.3 20,-0.2 -0.968 6.4-169.3-126.1 139.5 -0.8 -1.7 21.0 5 5 A Q E -A 23 0A 137 18,-1.9 18,-3.0 -2,-0.4 2,-0.3 -0.998 12.9-158.5-128.8 130.2 -2.7 -3.6 18.2 6 6 A Q E +A 22 0A 29 -2,-0.4 2,-0.3 16,-0.2 16,-0.2 -0.839 18.4 154.6-110.4 148.7 -1.2 -4.2 14.8 7 7 A S E +A 21 0A 68 14,-2.0 14,-2.7 -2,-0.3 110,-0.1 -0.951 34.7 84.6-156.5 169.1 -2.6 -5.0 11.3 8 8 A G + 0 0 33 -2,-0.3 11,-0.4 12,-0.2 -1,-0.1 0.614 51.8 153.5 109.5 18.0 -1.9 -4.6 7.6 9 9 A G + 0 0 42 9,-0.1 2,-0.3 -3,-0.1 110,-0.2 -0.287 12.2 137.4 -74.8 160.9 0.3 -7.6 6.9 10 10 A G E -d 119 0B 27 108,-1.4 110,-2.4 107,-0.0 2,-0.4 -0.993 48.5 -98.9-177.4-179.4 0.6 -9.3 3.5 11 11 A A E +d 120 0B 79 -2,-0.3 2,-0.3 108,-0.2 110,-0.2 -0.998 42.9 165.4-121.8 128.9 2.5 -10.9 0.7 12 12 A V E -d 121 0B 33 108,-2.5 110,-1.9 -2,-0.4 2,-0.3 -0.865 35.6-103.7-135.8 166.4 3.4 -8.8 -2.4 13 13 A Q E > -d 122 0B 152 -2,-0.3 3,-2.4 108,-0.2 110,-0.2 -0.656 57.3 -75.5 -89.9 152.5 5.7 -9.0 -5.4 14 14 A T T 3 S+ 0 0 57 108,-1.9 72,-0.2 1,-0.3 -1,-0.1 -0.134 122.6 29.5 -42.8 135.0 9.0 -7.0 -5.6 15 15 A G T 3 S+ 0 0 51 70,-3.3 69,-0.8 1,-0.3 -1,-0.3 0.150 98.1 117.8 95.2 -17.5 8.2 -3.3 -6.3 16 16 A G < - 0 0 21 -3,-2.4 69,-2.2 69,-0.2 2,-0.3 0.035 55.8-122.6 -75.1-175.9 4.8 -3.5 -4.5 17 17 A S + 0 0 56 66,-0.2 2,-0.3 67,-0.2 66,-0.2 -0.947 21.6 178.0-131.9 151.8 3.4 -1.6 -1.5 18 18 A L E - B 0 82A 26 64,-2.2 64,-3.2 -2,-0.3 2,-0.4 -0.954 17.3-142.2-140.3 160.9 1.9 -2.4 1.9 19 19 A K E - B 0 81A 110 -11,-0.4 2,-0.4 -2,-0.3 62,-0.2 -0.982 8.9-158.1-128.5 126.2 0.7 -0.4 4.8 20 20 A L E - B 0 80A 0 60,-2.7 60,-2.2 -2,-0.4 2,-0.4 -0.793 10.1-164.0 -98.3 143.1 1.1 -1.3 8.5 21 21 A T E -AB 7 79A 31 -14,-2.7 -14,-2.0 -2,-0.4 2,-0.4 -0.963 7.3-171.0-126.7 142.7 -1.2 0.2 11.1 22 22 A a E -AB 6 78A 0 56,-2.7 56,-2.4 -2,-0.4 2,-0.5 -0.962 6.9-159.8-136.0 120.0 -0.7 0.3 14.9 23 23 A L E -AB 5 77A 85 -18,-3.0 -18,-1.9 -2,-0.4 2,-0.3 -0.870 7.6-154.5-102.4 124.8 -3.5 1.4 17.3 24 24 A A E -A 4 0A 11 52,-3.0 2,-0.3 -2,-0.5 -20,-0.2 -0.761 13.8-179.1 -96.6 142.4 -2.6 2.6 20.8 25 25 A S E +A 3 0A 58 -22,-2.3 -22,-2.2 -2,-0.3 2,-0.4 -0.900 45.3 27.4-136.0 164.6 -5.0 2.4 23.7 26 26 A G E S+A 2 0A 60 -2,-0.3 2,-2.4 -24,-0.2 -24,-0.3 -0.703 119.1 11.5 84.9-135.2 -4.8 3.4 27.4 27 27 A N S > S+ 0 0 77 -26,-3.1 3,-1.8 -2,-0.4 4,-0.2 -0.324 72.4 153.6 -82.3 60.0 -2.5 6.2 28.5 28 28 A T G > + 0 0 29 -2,-2.4 3,-1.5 1,-0.3 -1,-0.2 0.719 61.4 71.5 -68.6 -22.2 -1.7 7.5 25.0 29 29 A A G 3 S+ 0 0 98 1,-0.2 -1,-0.3 -3,-0.2 -2,-0.1 0.783 92.2 60.8 -59.6 -26.1 -1.0 11.0 26.3 30 30 A S G < S+ 0 0 19 -3,-1.8 70,-1.2 69,-0.1 2,-0.4 0.571 77.9 114.4 -77.0 -9.3 2.2 9.5 27.8 31 31 A I E < +E 99 0B 10 -3,-1.5 68,-0.3 68,-0.2 3,-0.1 -0.505 34.9 174.0 -73.3 121.0 3.6 8.4 24.4 32 32 A R E + 0 0 97 66,-2.9 21,-2.6 -2,-0.4 2,-0.3 0.735 68.6 3.1 -94.6 -29.6 6.8 10.3 23.4 33 33 A A E -EF 98 52B 16 65,-1.9 65,-2.8 19,-0.3 2,-0.4 -0.984 55.4-154.3-155.7 147.2 7.5 8.3 20.2 34 34 A M E +EF 97 51B 3 17,-2.0 17,-2.2 -2,-0.3 2,-0.3 -0.955 27.3 168.6-121.3 146.4 6.1 5.5 18.1 35 35 A G E -EF 96 50B 0 61,-2.5 61,-2.4 -2,-0.4 2,-0.4 -0.897 29.2-123.0-150.5 172.5 8.2 3.2 15.9 36 36 A W E +EF 95 49B 0 13,-3.1 12,-2.8 -2,-0.3 13,-2.0 -0.985 21.5 178.1-129.7 135.7 8.6 0.2 13.8 37 37 A Y E -EF 94 47B 46 57,-2.5 57,-2.4 -2,-0.4 2,-0.3 -0.819 10.4-158.2-122.0 166.6 11.1 -2.7 14.2 38 38 A R E -EF 93 46B 4 8,-2.2 8,-3.1 -2,-0.3 2,-0.5 -0.997 15.2-151.0-148.5 152.8 11.4 -5.9 12.1 39 39 A R E -E 92 0B 99 53,-2.0 53,-2.3 -2,-0.3 6,-0.2 -0.949 19.5-157.6-124.2 106.4 12.9 -9.4 12.3 40 40 A A > - 0 0 2 -2,-0.5 3,-2.4 4,-0.5 51,-0.2 -0.413 49.0 -60.9 -75.4 162.4 14.0 -10.8 8.9 41 41 A P T 3 S- 0 0 95 0, 0.0 -1,-0.2 0, 0.0 3,-0.1 -0.172 120.9 -7.0 -53.5 128.3 14.2 -14.6 8.6 42 42 A G T 3 S+ 0 0 87 1,-0.2 2,-0.2 -3,-0.1 -2,-0.0 0.584 115.4 106.8 61.3 15.3 16.7 -16.1 11.1 43 43 A K S < S- 0 0 118 -3,-2.4 2,-0.2 1,-0.1 -1,-0.2 -0.586 72.7 -99.0-111.7 177.0 17.8 -12.7 12.2 44 44 A Q - 0 0 177 -2,-0.2 -4,-0.5 1,-0.1 -6,-0.1 -0.610 51.5 -81.6 -90.7 157.0 17.4 -10.5 15.2 45 45 A R - 0 0 111 -2,-0.2 2,-0.3 -6,-0.2 -6,-0.3 -0.300 51.8-167.2 -55.4 135.0 14.9 -7.6 15.5 46 46 A E E -F 38 0B 58 -8,-3.1 -8,-2.2 -3,-0.1 2,-0.1 -0.972 24.9-102.1-130.3 148.2 16.2 -4.4 13.9 47 47 A W E +F 37 0B 87 -2,-0.3 -10,-0.2 -10,-0.2 3,-0.1 -0.408 37.6 168.3 -67.1 135.4 15.1 -0.8 14.0 48 48 A V E - 0 0 0 -12,-2.8 12,-3.0 1,-0.3 2,-0.3 0.754 57.7 -18.0-110.7 -53.9 13.1 0.5 11.0 49 49 A A E -FG 36 59B 0 -13,-2.0 -13,-3.1 10,-0.3 -1,-0.3 -0.989 47.3-165.5-160.5 149.8 11.5 3.9 11.8 50 50 A S E -FG 35 58B 28 8,-2.1 8,-2.2 -2,-0.3 2,-0.3 -0.969 2.1-167.3-136.4 153.3 10.6 6.2 14.6 51 51 A L E -FG 34 57B 16 -17,-2.2 -17,-2.0 -2,-0.3 6,-0.2 -0.916 16.4-146.5-142.7 113.1 8.4 9.3 14.9 52 52 A T E > -F 33 0B 44 4,-1.9 3,-1.8 -2,-0.3 -19,-0.3 -0.299 29.5-107.2 -75.1 163.9 8.5 11.5 18.0 53 53 A T T 3 S+ 0 0 82 -21,-2.6 -20,-0.1 1,-0.3 -1,-0.1 0.786 120.6 56.7 -62.6 -29.5 5.4 13.4 19.4 54 54 A T T 3 S- 0 0 129 -22,-0.3 -1,-0.3 2,-0.1 -21,-0.1 0.380 126.2 -98.9 -83.8 1.7 6.9 16.7 18.1 55 55 A G < + 0 0 53 -3,-1.8 2,-0.7 1,-0.2 -2,-0.1 0.612 69.8 147.1 98.0 14.9 7.1 15.3 14.5 56 56 A T - 0 0 76 2,-0.0 -4,-1.9 0, 0.0 2,-0.4 -0.756 28.3-162.7 -89.1 115.3 10.7 14.2 14.0 57 57 A A E +G 51 0B 41 -2,-0.7 2,-0.3 -6,-0.2 -6,-0.2 -0.782 10.2 178.9-101.0 136.8 11.0 11.1 11.7 58 58 A D E -G 50 0B 88 -8,-2.2 -8,-2.1 -2,-0.4 2,-0.3 -0.980 6.4-164.1-135.4 149.5 14.0 8.8 11.4 59 59 A Y E -G 49 0B 76 -2,-0.3 -10,-0.3 -10,-0.2 -11,-0.1 -0.950 25.7-102.9-135.2 148.2 14.6 5.7 9.3 60 60 A G >> - 0 0 8 -12,-3.0 3,-1.6 -2,-0.3 4,-0.6 -0.269 41.0-106.6 -64.1 159.4 17.0 2.8 9.2 61 61 A D T 34 S+ 0 0 154 1,-0.3 3,-0.3 2,-0.2 -1,-0.1 0.811 118.6 57.0 -58.6 -34.2 19.8 2.8 6.5 62 62 A F T 34 S+ 0 0 35 1,-0.2 -1,-0.3 2,-0.1 -14,-0.1 0.597 88.8 76.9 -75.5 -10.9 18.1 0.2 4.5 63 63 A V T X4 - 0 0 0 -3,-1.6 3,-1.5 -15,-0.1 -1,-0.2 0.956 68.1-176.7 -66.8 -49.3 14.8 2.2 4.2 64 64 A K T 3< S- 0 0 153 -4,-0.6 -3,-0.1 -3,-0.3 -2,-0.1 0.900 71.1 -55.4 54.4 49.1 16.3 4.6 1.5 65 65 A G T 3 S+ 0 0 75 2,-0.1 -1,-0.3 1,-0.1 -2,-0.1 0.482 115.7 108.8 70.4 4.4 13.3 6.9 1.2 66 66 A R < + 0 0 29 -3,-1.5 17,-1.9 18,-0.1 2,-0.3 0.764 67.0 57.4 -87.3 -28.4 10.9 4.0 0.5 67 67 A F E -C 82 0A 3 15,-0.2 2,-0.5 17,-0.1 15,-0.2 -0.798 63.4-159.1-105.2 148.1 8.9 3.9 3.8 68 68 A T E -C 81 0A 72 13,-2.3 13,-3.0 -2,-0.3 2,-0.4 -0.983 3.2-159.4-129.1 121.0 6.9 6.7 5.4 69 69 A I E +C 80 0A 8 -2,-0.5 2,-0.3 11,-0.2 11,-0.2 -0.819 19.5 169.0 -94.7 134.8 6.0 6.7 9.1 70 70 A S E -C 79 0A 58 9,-2.0 9,-2.5 -2,-0.4 2,-0.4 -0.966 20.8-146.6-141.1 160.5 3.2 8.9 10.2 71 71 A R E -C 78 0A 64 -2,-0.3 2,-0.5 7,-0.2 7,-0.2 -0.974 4.1-154.5-130.9 144.9 1.1 9.3 13.4 72 72 A D E > -C 77 0A 66 5,-2.6 5,-2.0 -2,-0.4 4,-0.5 -0.972 8.0-169.1-125.2 113.7 -2.5 10.2 13.8 73 73 A N T > 5S+ 0 0 141 -2,-0.5 3,-0.6 3,-0.2 -1,-0.1 0.871 88.4 62.3 -63.3 -40.6 -3.7 11.9 17.0 74 74 A A T 3 5S+ 0 0 89 1,-0.2 -1,-0.2 2,-0.1 -2,-0.0 0.801 121.4 21.5 -56.1 -34.3 -7.4 11.4 16.0 75 75 A N T 3 5S- 0 0 103 -3,-0.3 -51,-0.3 2,-0.1 -1,-0.2 0.292 100.4-125.7-116.0 5.5 -7.0 7.6 16.1 76 76 A N T < 5 + 0 0 70 -3,-0.6 -52,-3.0 -4,-0.5 2,-0.3 0.927 66.7 140.3 38.6 57.6 -3.9 7.4 18.3 77 77 A A E < -BC 23 72A 8 -5,-2.0 -5,-2.6 -54,-0.2 2,-0.3 -0.838 48.1-152.5-127.3 155.7 -2.3 5.3 15.6 78 78 A A E -BC 22 71A 0 -56,-2.4 -56,-2.7 -2,-0.3 2,-0.3 -0.948 18.7-166.8-123.8 149.5 1.0 5.0 13.9 79 79 A T E -BC 21 70A 23 -9,-2.5 -9,-2.0 -2,-0.3 2,-0.5 -0.973 15.5-155.1-136.3 147.3 1.3 3.8 10.3 80 80 A L E -BC 20 69A 0 -60,-2.2 -60,-2.7 -2,-0.3 2,-0.7 -0.945 9.4-159.9-123.7 109.0 4.1 2.6 8.0 81 81 A Q E -BC 19 68A 61 -13,-3.0 -13,-2.3 -2,-0.5 2,-0.6 -0.807 13.7-164.2 -84.2 117.7 3.5 3.1 4.3 82 82 A M E +BC 18 67A 0 -64,-3.2 -64,-2.2 -2,-0.7 3,-0.2 -0.911 13.9 169.2-114.9 109.0 5.9 0.7 2.5 83 83 A D + 0 0 59 -17,-1.9 -66,-0.2 -2,-0.6 -67,-0.2 -0.678 58.1 26.5-109.0 167.3 6.6 1.2 -1.2 84 84 A S S S- 0 0 65 -69,-0.8 -1,-0.2 -2,-0.2 -68,-0.2 0.871 82.5-167.7 51.2 45.1 9.2 -0.3 -3.6 85 85 A L - 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