==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=5-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ANTIBODY,HYDROLASE 21-AUG-01 1JTO . COMPND 2 MOLECULE: VH SINGLE-DOMAIN ANTIBODY; . SOURCE 2 ORGANISM_SCIENTIFIC: CAMELUS DROMEDARIUS; . AUTHOR K.DECANNIERE,T.R.TRANSUE,A.DESMYTER,D.MAES,S.MUYLDERMANS, . 522 4 12 12 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 22365.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 371 71.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 12 2.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 117 22.4 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 6 1.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 4 0.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.4 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 . 50 9.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 74 14.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 80 15.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 14 2.7 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 1 3 0 0 0 2 1 3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 0 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 0 PARALLEL BRIDGES PER LADDER . 4 4 6 0 4 3 2 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 . 2 2 2 0 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 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 2 A V 0 0 103 0, 0.0 2,-0.4 0, 0.0 24,-0.2 0.000 360.0 360.0 360.0 163.1 9.4 8.3 11.8 2 3 A Q E -A 24 0A 113 22,-2.5 22,-3.0 119,-0.1 2,-0.5 -0.998 360.0-148.1-142.2 143.9 11.0 5.7 9.7 3 4 A L E -A 23 0A 15 -2,-0.4 2,-0.6 119,-0.3 121,-0.5 -0.948 13.3-161.4-111.4 125.3 14.1 5.4 7.6 4 5 A Q E -A 22 0A 122 18,-2.4 18,-3.2 -2,-0.5 2,-0.3 -0.918 11.2-174.2-110.6 111.0 14.0 3.2 4.5 5 6 A A E +A 21 0A 17 -2,-0.6 2,-0.3 16,-0.3 16,-0.2 -0.786 6.9 168.6-106.2 148.7 17.3 2.0 3.1 6 7 A S E +A 20 0A 63 14,-2.1 14,-2.1 -2,-0.3 2,-0.3 -0.960 33.2 53.6-149.8 166.4 18.0 0.1 -0.1 7 8 A G + 0 0 48 -2,-0.3 12,-0.2 12,-0.2 -2,-0.0 -0.745 55.0 106.0 106.3-157.0 20.8 -1.0 -2.3 8 9 A G + 0 0 28 10,-0.3 2,-0.3 -2,-0.3 120,-0.2 0.211 26.0 132.4 66.4 166.9 23.9 -2.8 -1.3 9 10 A G - 0 0 33 118,-0.3 120,-2.8 117,-0.1 2,-0.3 -0.975 61.5 -30.9 152.1-138.9 24.8 -6.4 -1.9 10 11 A S E +d 129 0B 97 -2,-0.3 2,-0.3 118,-0.2 120,-0.2 -0.872 56.5 163.0-116.7 148.2 28.0 -8.1 -3.2 11 12 A V E -d 130 0B 28 118,-2.3 120,-2.2 -2,-0.3 2,-0.3 -0.986 38.4 -99.4-159.2 155.1 30.5 -6.6 -5.6 12 13 A Q E > -d 131 0B 133 -2,-0.3 3,-2.9 118,-0.2 120,-0.2 -0.580 53.7 -88.2 -82.4 140.2 34.1 -7.2 -6.8 13 14 A A T 3 S+ 0 0 28 118,-3.5 73,-0.2 1,-0.3 -1,-0.1 -0.104 118.5 31.8 -41.5 139.6 36.8 -5.0 -5.4 14 15 A G T 3 S+ 0 0 47 71,-3.7 70,-0.6 1,-0.3 -1,-0.3 0.132 97.7 109.1 94.1 -21.7 37.1 -2.0 -7.7 15 16 A G < - 0 0 24 -3,-2.9 70,-1.8 70,-0.2 2,-0.3 0.013 62.6-122.0 -76.1-171.1 33.4 -1.9 -8.5 16 17 A S - 0 0 55 67,-0.2 2,-0.3 68,-0.1 67,-0.2 -0.946 20.2-172.1-134.8 155.6 30.8 0.6 -7.3 17 18 A L E - B 0 82A 32 65,-1.9 65,-3.4 -2,-0.3 2,-0.4 -0.953 12.2-146.7-140.7 159.0 27.6 0.5 -5.4 18 19 A R E - B 0 81A 148 -2,-0.3 -10,-0.3 63,-0.2 2,-0.3 -0.962 10.8-169.0-134.4 118.2 24.9 3.0 -4.6 19 20 A L E - B 0 80A 0 61,-2.5 61,-3.0 -2,-0.4 2,-0.3 -0.681 7.3-167.0 -98.2 156.4 22.9 3.0 -1.4 20 21 A S E -AB 6 79A 24 -14,-2.1 -14,-2.1 -2,-0.3 2,-0.4 -0.970 5.0-160.6-141.2 156.4 19.9 5.2 -0.9 21 22 A a E -AB 5 78A 0 57,-2.4 57,-2.1 -2,-0.3 2,-0.6 -0.984 2.0-160.7-144.4 130.9 17.8 6.2 2.1 22 23 A A E -AB 4 77A 28 -18,-3.2 -18,-2.4 -2,-0.4 2,-0.3 -0.924 8.0-152.6-117.8 113.3 14.3 7.5 2.4 23 24 A A E -A 3 0A 10 53,-2.2 2,-0.4 -2,-0.6 -20,-0.2 -0.644 21.0-172.2 -80.2 134.8 13.1 9.3 5.5 24 25 A S E +A 2 0A 47 -22,-3.0 -22,-2.5 -2,-0.3 52,-0.0 -0.979 53.8 31.3-131.7 143.9 9.4 9.0 6.0 25 26 A G S S+ 0 0 59 -2,-0.4 2,-0.4 1,-0.3 -1,-0.2 0.855 75.6 140.6 84.4 36.0 7.0 10.6 8.4 26 27 A Y - 0 0 42 -3,-0.2 -1,-0.3 1,-0.2 3,-0.2 -0.902 35.0-174.4-113.5 144.3 8.6 13.9 8.9 27 28 A T S S+ 0 0 145 1,-0.5 2,-0.4 -2,-0.4 -1,-0.2 0.829 86.8 8.8 -93.6 -55.0 6.9 17.2 9.3 28 29 A I S S- 0 0 45 71,-0.1 -1,-0.5 73,-0.0 3,-0.1 -0.984 106.0 -49.3-128.7 139.4 10.1 19.1 9.4 29 30 A G - 0 0 11 -2,-0.4 2,-0.2 1,-0.3 70,-0.1 -0.476 15.6-135.4 90.1-162.5 13.6 17.8 8.8 30 31 A P - 0 0 0 0, 0.0 -1,-0.3 0, 0.0 69,-0.2 0.528 30.8-158.8 -66.5 166.4 15.5 15.8 9.3 31 32 A Y S S+ 0 0 2 67,-2.5 21,-2.4 1,-0.2 2,-0.3 0.821 76.1 25.7 -81.6 -37.0 18.3 18.3 9.7 32 33 A b E +EF 51 98C 0 66,-1.3 66,-2.1 19,-0.2 2,-0.3 -0.967 57.9 179.8-131.3 149.4 21.0 15.6 9.0 33 34 A M E +EF 50 97C 0 17,-1.6 17,-2.3 -2,-0.3 2,-0.3 -0.984 22.4 143.9-142.9 139.2 21.2 12.3 7.2 34 35 A G E -EF 49 96C 0 62,-2.4 62,-2.4 -2,-0.3 2,-0.4 -0.927 39.7-104.0-159.6-175.5 24.3 10.2 7.0 35 36 A W E -EF 48 95C 0 13,-2.8 12,-2.5 -2,-0.3 13,-1.2 -0.973 21.2-172.7-128.5 141.3 25.7 6.7 6.9 36 37 A F E -EF 46 94C 2 58,-2.8 58,-4.0 -2,-0.4 2,-0.4 -0.874 10.9-157.8-121.8 156.4 27.5 4.7 9.6 37 38 A R E -EF 45 93C 17 8,-2.5 8,-2.6 -2,-0.3 2,-0.5 -1.000 8.4-159.0-141.2 145.5 29.1 1.3 9.0 38 39 A Q E - F 0 92C 69 54,-2.8 54,-2.2 -2,-0.4 6,-0.1 -0.952 11.7-177.5-126.6 110.0 30.0 -1.6 11.2 39 40 A A > - 0 0 10 -2,-0.5 3,-1.6 4,-0.4 2,-0.2 -0.711 42.4 -86.0-100.5 156.7 32.6 -4.1 10.1 40 41 A P T 3 S+ 0 0 114 0, 0.0 3,-0.1 0, 0.0 -1,-0.1 -0.403 111.0 7.0 -66.6 130.7 33.6 -7.2 12.2 41 42 A G T 3 S+ 0 0 91 1,-0.3 2,-0.2 -2,-0.2 -3,-0.0 0.515 113.3 98.7 79.1 2.9 36.2 -6.5 14.8 42 43 A K S < S- 0 0 116 -3,-1.6 -1,-0.3 1,-0.0 2,-0.2 -0.738 78.0 -97.5-118.9 170.6 36.2 -2.8 14.2 43 44 A E - 0 0 168 -2,-0.2 -4,-0.4 1,-0.1 2,-0.4 -0.498 51.1 -89.7 -81.8 152.8 34.6 0.3 15.8 44 45 A R - 0 0 110 -2,-0.2 2,-0.4 -6,-0.1 -6,-0.2 -0.502 52.4-154.3 -65.7 123.0 31.4 1.7 14.4 45 46 A E E -E 37 0C 61 -8,-2.6 -8,-2.5 -2,-0.4 2,-0.6 -0.843 14.3-136.6-108.0 134.5 32.6 4.3 11.8 46 47 A G E +E 36 0C 15 -2,-0.4 -10,-0.2 -10,-0.2 3,-0.1 -0.775 26.0 177.9 -84.5 123.1 30.8 7.3 10.5 47 48 A V E - 0 0 0 -12,-2.5 13,-2.5 -2,-0.6 2,-0.3 0.890 53.4 -14.7 -95.0 -47.9 31.2 7.4 6.7 48 49 A A E -EG 35 59C 0 -13,-1.2 -13,-2.8 11,-0.2 -1,-0.3 -0.994 53.0-178.5-158.8 152.1 29.4 10.4 5.4 49 50 A A E -EG 34 58C 0 9,-2.0 9,-1.9 -2,-0.3 2,-0.3 -0.961 6.9-159.9-147.3 164.1 26.8 13.0 6.2 50 51 A I E -EG 33 57C 4 -17,-2.3 -17,-1.6 -2,-0.3 2,-0.7 -0.995 25.5-120.7-149.9 143.6 24.9 15.9 4.7 51 52 A N E > -E 32 0C 4 5,-2.4 4,-2.1 -2,-0.3 -19,-0.2 -0.761 43.4-119.2 -80.4 115.6 23.0 19.0 6.0 52 53 A M T 4 S+ 0 0 5 -21,-2.4 2,-2.2 -2,-0.7 4,-0.1 -0.225 89.9 0.6 -55.5 145.3 19.5 18.5 4.6 53 54 A G T 4 S+ 0 0 27 1,-0.2 -1,-0.2 2,-0.1 18,-0.1 -0.498 125.4 66.3 75.8 -80.7 18.6 21.4 2.3 54 55 A G T 4 S- 0 0 18 -2,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.729 91.3-147.7 -44.8 -27.7 21.9 23.3 2.7 55 56 A G < + 0 0 32 -4,-2.1 -1,-0.2 1,-0.2 -3,-0.1 0.344 40.3 150.5 76.3 -8.4 23.6 20.5 0.9 56 57 A I - 0 0 48 -5,-0.2 -5,-2.4 -4,-0.1 2,-0.3 -0.348 30.1-153.2 -61.1 137.0 27.0 20.7 2.7 57 58 A T E -G 50 0C 53 -7,-0.2 2,-0.3 -2,-0.1 -7,-0.2 -0.748 16.2-167.1-117.2 161.1 28.8 17.3 3.0 58 59 A Y E -G 49 0C 36 -9,-1.9 -9,-2.0 -2,-0.3 2,-0.3 -0.993 7.5-169.0-142.8 144.0 31.3 15.6 5.3 59 60 A Y E -G 48 0C 49 -2,-0.3 -11,-0.2 -11,-0.2 -12,-0.1 -0.987 27.7-111.5-138.6 146.5 33.3 12.4 4.8 60 61 A A >> - 0 0 17 -13,-2.5 3,-0.8 -2,-0.3 4,-0.5 -0.298 37.5-114.9 -64.1 160.9 35.4 10.1 7.0 61 62 A D G >4 S+ 0 0 147 1,-0.2 3,-0.6 2,-0.2 -1,-0.1 0.845 113.5 62.6 -68.3 -30.8 39.1 10.3 6.0 62 63 A S G 34 S+ 0 0 55 1,-0.2 -1,-0.2 3,-0.0 -15,-0.1 0.644 113.5 31.4 -68.7 -17.6 39.0 6.6 4.9 63 64 A V G X> S+ 0 0 0 -3,-0.8 4,-2.6 -16,-0.2 3,-1.2 0.329 82.4 130.8-123.5 7.1 36.4 7.3 2.2 64 65 A K T << S+ 0 0 124 -3,-0.6 4,-0.1 -4,-0.5 -3,-0.0 -0.437 81.7 13.5 -65.0 127.1 37.3 10.8 1.2 65 66 A G T 34 S+ 0 0 79 2,-0.5 -1,-0.3 -2,-0.2 -4,-0.0 0.003 124.8 61.7 97.3 -29.3 37.6 10.9 -2.6 66 67 A R T <4 S+ 0 0 52 -3,-1.2 17,-1.8 18,-0.1 2,-0.2 0.806 98.2 53.7 -97.5 -38.1 35.9 7.5 -3.1 67 68 A F E < -C 82 0A 4 -4,-2.6 -2,-0.5 15,-0.2 2,-0.3 -0.642 59.6-171.8 -99.8 158.2 32.5 8.1 -1.6 68 69 A T E -C 81 0A 65 13,-1.6 13,-2.9 -2,-0.2 2,-0.3 -0.955 3.8-163.9-150.1 127.4 29.9 10.8 -2.5 69 70 A I E +C 80 0A 6 -2,-0.3 2,-0.3 11,-0.2 11,-0.2 -0.851 15.5 168.9-112.8 147.4 26.7 11.6 -0.7 70 71 A S E -C 79 0A 54 9,-1.6 9,-2.1 -2,-0.3 2,-0.3 -0.983 28.6-122.7-153.8 162.7 23.9 13.7 -2.1 71 72 A Q E -C 78 0A 40 -2,-0.3 2,-0.7 7,-0.2 7,-0.2 -0.716 24.2-128.3-105.1 156.6 20.3 14.8 -1.6 72 73 A D > - 0 0 47 5,-2.0 3,-2.9 -2,-0.3 5,-0.3 -0.827 69.0 -52.1-114.5 97.0 17.5 14.3 -4.1 73 74 A N T 3 S- 0 0 151 -2,-0.7 -1,-0.1 1,-0.3 0, 0.0 0.853 98.4 -68.9 46.8 43.9 15.4 17.5 -4.9 74 75 A A T 3 S+ 0 0 68 1,-0.2 -1,-0.3 3,-0.1 4,-0.1 0.697 100.4 138.8 49.2 19.8 14.8 18.1 -1.1 75 76 A K S < S- 0 0 134 -3,-2.9 -1,-0.2 2,-0.2 -2,-0.1 0.253 76.7-109.8 -76.6 12.2 12.7 14.9 -1.5 76 77 A N S S+ 0 0 36 1,-0.2 -53,-2.2 -54,-0.1 2,-0.4 0.832 85.1 114.1 60.4 35.2 14.1 13.7 1.9 77 78 A T E -B 22 0A 18 -5,-0.3 -5,-2.0 -55,-0.2 2,-0.3 -0.994 44.6-169.3-135.5 138.0 16.1 11.0 0.2 78 79 A V E -BC 21 71A 0 -57,-2.1 -57,-2.4 -2,-0.4 2,-0.3 -0.951 6.8-149.6-130.8 153.2 19.8 10.7 0.0 79 80 A Y E -BC 20 70A 61 -9,-2.1 -9,-1.6 -2,-0.3 2,-0.5 -0.881 4.8-151.7-121.6 151.0 22.2 8.5 -1.9 80 81 A L E -BC 19 69A 0 -61,-3.0 -61,-2.5 -2,-0.3 2,-0.6 -0.943 11.3-162.5-126.3 106.8 25.7 7.2 -1.2 81 82 A L E -BC 18 68A 50 -13,-2.9 -13,-1.6 -2,-0.5 2,-0.6 -0.799 8.0-165.1 -89.2 118.2 27.7 6.5 -4.3 82 83 A M E +BC 17 67A 0 -65,-3.4 -65,-1.9 -2,-0.6 3,-0.3 -0.917 11.5 173.9-114.0 112.5 30.7 4.2 -3.5 83 84 A N + 0 0 61 -17,-1.8 -67,-0.2 -2,-0.6 -68,-0.1 -0.723 62.0 25.6-109.7 162.0 33.5 4.0 -6.0 84 85 A S S S- 0 0 63 -70,-0.6 -1,-0.2 -2,-0.3 -68,-0.1 0.878 81.6-167.3 52.3 41.9 36.8 2.2 -5.8 85 86 A L - 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