==== 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 1JTP . COMPND 2 MOLECULE: SINGLE-DOMAIN ANTIBODY; . SOURCE 2 ORGANISM_SCIENTIFIC: CAMELUS DROMEDARIUS; . AUTHOR K.DECANNIERE,T.R.TRANSUE,A.DESMYTER,D.MAES,S.MUYLDERMANS, . 526 4 12 12 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 22832.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 367 69.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 16 3.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 116 22.1 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 . 5 1.0 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 . 1 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 1 0.2 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 . 44 8.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 79 15.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 79 15.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 10 1.9 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 3 1 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 3 0 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 PARALLEL BRIDGES PER LADDER . 4 4 6 0 2 6 2 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 2 1 1 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 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 D 0 0 194 0, 0.0 2,-0.2 0, 0.0 26,-0.0 0.000 360.0 360.0 360.0 30.7 6.4 7.7 14.3 2 2 A V - 0 0 46 24,-0.1 2,-0.4 22,-0.0 24,-0.2 -0.508 360.0-151.3 -86.0 161.3 8.8 8.5 11.5 3 3 A Q E -A 25 0A 111 22,-2.7 22,-2.6 -2,-0.2 2,-0.5 -0.993 9.6-152.9-137.0 142.7 10.2 5.7 9.4 4 4 A L E -A 24 0A 19 -2,-0.4 2,-0.6 119,-0.2 121,-0.3 -0.973 15.3-169.7-114.2 117.6 13.5 5.3 7.5 5 5 A Q E -A 23 0A 111 18,-2.5 18,-3.1 -2,-0.5 2,-0.3 -0.945 4.7-167.0-115.6 121.5 13.2 2.9 4.6 6 6 A A E -A 22 0A 37 -2,-0.6 2,-0.3 16,-0.3 16,-0.3 -0.737 5.7-175.5-105.6 151.7 16.4 1.8 2.8 7 7 A S E +A 21 0A 75 14,-2.4 14,-2.4 -2,-0.3 2,-0.2 -0.935 42.7 45.3-140.3 163.1 17.0 0.1 -0.5 8 8 A G + 0 0 50 -2,-0.3 12,-0.2 12,-0.2 2,-0.2 -0.545 55.9 110.9 99.2-169.3 20.0 -1.3 -2.4 9 9 A G + 0 0 24 10,-0.3 2,-0.3 -2,-0.2 120,-0.2 -0.492 23.2 119.0 100.9-172.1 22.8 -3.3 -1.0 10 10 A G E -d 129 0B 34 118,-2.8 120,-2.8 -2,-0.2 2,-0.3 -0.762 65.8 -24.0 111.1-154.6 23.9 -6.9 -1.5 11 11 A S E +d 130 0B 99 -2,-0.3 2,-0.3 118,-0.2 120,-0.2 -0.761 55.1 163.1-106.5 147.3 27.0 -8.5 -2.9 12 12 A V E -d 131 0B 26 118,-2.3 120,-1.9 -2,-0.3 2,-0.2 -0.981 37.9-106.0-158.9 145.5 29.5 -7.0 -5.4 13 13 A Q E > -d 132 0B 103 -2,-0.3 3,-2.4 118,-0.2 73,-0.2 -0.503 51.0 -89.3 -75.6 145.1 33.0 -7.7 -6.5 14 14 A A T 3 S+ 0 0 11 118,-2.8 73,-0.2 1,-0.3 -1,-0.1 -0.214 118.6 36.5 -51.4 145.5 35.8 -5.3 -5.3 15 15 A G T 3 S+ 0 0 37 71,-3.0 70,-0.6 1,-0.3 -1,-0.3 0.096 100.4 114.2 93.2 -19.0 36.3 -2.4 -7.7 16 16 A G < - 0 0 22 -3,-2.4 70,-2.1 70,-0.2 2,-0.3 -0.025 59.4-125.2 -77.6-178.4 32.5 -2.4 -8.2 17 17 A S - 0 0 60 67,-0.2 2,-0.3 68,-0.2 67,-0.2 -0.948 19.6-179.0-131.2 151.6 29.8 0.2 -7.3 18 18 A L E - B 0 83A 30 65,-1.8 65,-3.4 -2,-0.3 2,-0.5 -0.986 13.8-151.4-143.7 149.2 26.5 0.2 -5.3 19 19 A R E - B 0 82A 142 -2,-0.3 -10,-0.3 63,-0.2 2,-0.3 -0.989 11.8-163.9-122.9 124.1 24.0 2.9 -4.6 20 20 A L E - B 0 81A 0 61,-2.7 61,-2.6 -2,-0.5 2,-0.3 -0.771 6.1-162.3-101.1 153.7 22.0 2.7 -1.4 21 21 A S E -AB 7 80A 30 -14,-2.4 -14,-2.4 -2,-0.3 2,-0.3 -0.959 7.4-170.6-133.2 154.5 18.8 4.8 -0.9 22 22 A a E -AB 6 79A 0 57,-2.2 57,-2.2 -2,-0.3 2,-0.5 -0.944 5.2-161.5-148.6 123.0 16.9 5.8 2.2 23 23 A A E -AB 5 78A 37 -18,-3.1 -18,-2.5 -2,-0.3 2,-0.5 -0.903 8.8-150.0-109.9 128.9 13.5 7.5 2.3 24 24 A A E +A 4 0A 8 53,-3.3 2,-0.3 -2,-0.5 -20,-0.2 -0.849 23.3 173.3 -97.7 128.3 12.3 9.3 5.4 25 25 A S E +A 3 0A 53 -22,-2.6 -22,-2.7 -2,-0.5 3,-0.1 -0.918 51.6 48.3-131.1 159.7 8.5 9.3 5.9 26 26 A G S S+ 0 0 55 1,-0.4 2,-0.3 -2,-0.3 -1,-0.1 0.404 80.0 123.6 93.6 -3.7 6.3 10.4 8.7 27 27 A Y + 0 0 33 1,-0.2 -1,-0.4 -24,-0.1 3,-0.2 -0.684 35.2 177.3 -91.8 148.7 8.0 13.8 9.0 28 28 A T S S+ 0 0 131 1,-0.5 2,-0.4 -2,-0.3 -1,-0.2 0.671 85.4 21.0-109.2 -48.9 6.1 17.0 8.7 29 29 A I S S- 0 0 60 71,-0.1 -1,-0.5 73,-0.0 3,-0.1 -0.980 110.5 -49.7-121.0 129.3 9.2 19.1 9.4 30 30 A G - 0 0 7 -2,-0.4 2,-0.2 1,-0.3 70,-0.1 -0.535 7.4-141.3 97.6-170.1 12.7 17.7 8.9 31 31 A P - 0 0 1 0, 0.0 -1,-0.3 0, 0.0 69,-0.2 0.610 32.2-160.6 -70.1 163.8 14.7 15.6 9.3 32 32 A Y S S+ 0 0 4 67,-2.3 21,-2.0 1,-0.2 22,-0.7 0.828 74.9 23.1 -79.3 -39.2 17.5 18.1 9.7 33 33 A b E -EF 52 99B 0 66,-1.6 66,-1.9 19,-0.2 2,-0.4 -0.968 59.8-174.6-129.3 148.1 20.2 15.5 8.9 34 34 A M E +EF 51 98B 0 17,-1.8 17,-2.1 -2,-0.3 2,-0.3 -0.993 23.3 143.7-137.5 141.9 20.4 12.2 7.0 35 35 A G E -EF 50 97B 0 62,-2.5 62,-2.2 -2,-0.4 2,-0.4 -0.966 40.5-107.1-162.0-179.4 23.4 10.0 6.8 36 36 A W E -EF 49 96B 0 13,-2.9 12,-2.1 -2,-0.3 13,-1.4 -0.978 22.5-175.9-125.9 136.7 24.9 6.5 6.7 37 37 A F E -EF 47 95B 3 58,-2.2 58,-3.5 -2,-0.4 2,-0.4 -0.934 12.7-154.6-123.1 147.2 26.8 4.6 9.4 38 38 A R E -EF 46 94B 16 8,-3.0 8,-3.3 -2,-0.3 2,-0.4 -0.959 8.0-163.2-129.3 151.3 28.3 1.3 8.9 39 39 A Q E - F 0 93B 58 54,-2.2 54,-2.6 -2,-0.4 6,-0.1 -0.984 1.0-169.5-134.1 118.9 29.2 -1.6 11.3 40 40 A A > - 0 0 13 -2,-0.4 3,-1.8 4,-0.3 52,-0.1 -0.890 39.9-107.5-104.0 138.7 31.6 -4.5 10.4 41 41 A P T 3 S+ 0 0 137 0, 0.0 -1,-0.1 0, 0.0 51,-0.0 0.732 113.7 34.5 -32.9 -52.1 31.6 -7.4 12.9 42 42 A G T 3 S+ 0 0 74 2,-0.1 2,-0.3 -3,-0.0 -3,-0.0 -0.192 109.9 73.2-106.2 43.0 35.0 -6.7 14.5 43 43 A K S < S- 0 0 124 -3,-1.8 2,-0.2 3,-0.0 3,-0.1 -0.925 82.6 -89.2-147.7 170.4 35.1 -2.9 14.4 44 44 A E - 0 0 176 -2,-0.3 -4,-0.3 1,-0.1 -6,-0.1 -0.560 57.1 -96.0 -76.9 144.9 33.8 0.3 15.8 45 45 A R - 0 0 94 -2,-0.2 2,-0.4 -6,-0.1 -6,-0.2 -0.398 46.8-148.8 -62.4 139.4 30.7 1.7 14.2 46 46 A E E -E 38 0B 64 -8,-3.3 -8,-3.0 -2,-0.1 2,-0.7 -0.944 13.7-135.5-120.1 130.6 31.7 4.2 11.6 47 47 A G E +E 37 0B 14 -2,-0.4 -10,-0.3 66,-0.4 3,-0.1 -0.721 28.8 178.8 -79.7 116.8 29.9 7.4 10.4 48 48 A V E - 0 0 0 -12,-2.1 13,-2.6 -2,-0.7 2,-0.3 0.914 54.6 -16.6 -86.3 -51.8 30.4 7.2 6.6 49 49 A A E -EG 36 60B 0 -13,-1.4 -13,-2.9 11,-0.2 -1,-0.3 -0.989 56.7-177.6-157.2 151.9 28.6 10.2 5.1 50 50 A A E -EG 35 59B 0 9,-2.0 9,-2.3 -2,-0.3 2,-0.3 -0.959 6.6-159.4-148.9 164.1 26.0 12.8 6.1 51 51 A I E -EG 34 58B 4 -17,-2.1 -17,-1.8 -2,-0.3 2,-0.7 -0.994 24.3-123.7-151.4 139.5 24.1 15.7 4.6 52 52 A N E > -E 33 0B 1 5,-2.0 4,-2.5 -2,-0.3 5,-0.2 -0.783 20.9-154.2 -80.5 115.8 22.3 18.8 5.9 53 53 A M T 4 S+ 0 0 9 -21,-2.0 2,-1.1 -2,-0.7 -1,-0.2 0.862 88.5 64.9 -60.2 -34.6 18.8 18.4 4.3 54 54 A G T 4 S- 0 0 9 -22,-0.7 3,-0.2 1,-0.2 -1,-0.2 -0.776 125.7 -1.1 -90.8 98.1 18.5 22.1 4.5 55 55 A G T 4 S- 0 0 34 -2,-1.1 -1,-0.2 1,-0.1 -2,-0.2 0.024 94.0-114.5 114.7 -31.1 21.2 23.3 2.2 56 56 A G < + 0 0 28 -4,-2.5 2,-0.2 1,-0.2 -1,-0.1 0.651 54.2 159.6 76.0 12.9 22.8 20.1 0.9 57 57 A I - 0 0 48 -5,-0.2 -5,-2.0 -3,-0.2 2,-0.3 -0.526 28.3-145.5 -69.7 138.3 26.2 20.5 2.5 58 58 A T E -G 51 0B 54 -7,-0.2 2,-0.3 -2,-0.2 -7,-0.2 -0.736 16.5-164.8-113.0 157.8 28.0 17.1 2.8 59 59 A Y E -G 50 0B 37 -9,-2.3 -9,-2.0 -2,-0.3 2,-0.3 -0.994 8.6-169.3-137.2 146.2 30.4 15.3 5.1 60 60 A Y E -G 49 0B 50 -2,-0.3 -11,-0.2 -11,-0.2 2,-0.1 -0.976 28.1-115.1-139.6 146.9 32.5 12.2 4.8 61 61 A A >> - 0 0 16 -13,-2.6 3,-2.0 -2,-0.3 4,-0.8 -0.503 36.7-121.1 -70.1 145.4 34.6 9.8 6.7 62 62 A D G >4 S+ 0 0 134 1,-0.3 3,-0.9 2,-0.2 -1,-0.1 0.884 110.4 68.3 -56.0 -35.7 38.2 10.1 5.6 63 63 A S G 34 S+ 0 0 52 1,-0.2 -1,-0.3 4,-0.0 -15,-0.1 0.527 110.0 31.2 -62.1 -6.9 38.1 6.4 4.7 64 64 A V G X> S+ 0 0 0 -3,-2.0 3,-2.5 -16,-0.2 4,-2.4 0.370 80.6 132.7-132.4 1.8 35.6 7.1 1.8 65 65 A K T << S+ 0 0 117 -3,-0.9 4,-0.1 -4,-0.8 -3,-0.0 -0.316 81.2 14.8 -58.6 132.7 36.5 10.5 0.5 66 66 A G T 34 S+ 0 0 85 2,-0.4 -1,-0.3 1,-0.1 3,-0.1 0.395 125.5 61.9 83.1 -7.1 36.7 10.5 -3.3 67 67 A R T <4 S+ 0 0 32 -3,-2.5 17,-2.8 1,-0.2 2,-0.3 0.691 99.0 46.8-116.2 -37.4 34.9 7.1 -3.4 68 68 A F E < -C 83 0A 3 -4,-2.4 -2,-0.4 15,-0.2 2,-0.4 -0.798 59.3-169.0-108.9 151.9 31.5 7.7 -1.9 69 69 A T E -C 82 0A 69 13,-2.0 13,-3.4 -2,-0.3 2,-0.4 -0.989 4.4-161.5-142.4 128.3 29.0 10.5 -2.6 70 70 A I E +C 81 0A 4 -2,-0.4 2,-0.3 11,-0.2 11,-0.2 -0.887 20.6 161.5-108.2 141.3 25.8 11.3 -0.6 71 71 A S E -C 80 0A 55 9,-2.0 9,-2.8 -2,-0.4 2,-0.4 -0.958 27.5-127.1-150.6 166.2 23.1 13.4 -2.2 72 72 A Q E -C 79 0A 42 -2,-0.3 7,-0.2 7,-0.2 3,-0.1 -0.917 12.3-158.1-123.2 150.6 19.5 14.2 -1.6 73 73 A D - 0 0 63 5,-2.5 2,-3.4 -2,-0.4 6,-0.1 0.750 32.5-179.6 -85.3 -29.5 16.4 14.1 -3.9 74 74 A N > + 0 0 88 4,-1.1 3,-2.8 1,-0.3 -1,-0.1 -0.283 64.6 81.0 65.6 -60.8 15.0 16.5 -1.3 75 75 A A T 3 S+ 0 0 96 -2,-3.4 -1,-0.3 1,-0.3 -3,-0.0 0.818 109.8 28.3 -41.2 -33.1 11.7 16.8 -3.1 76 76 A K T 3 S- 0 0 127 2,-0.2 -1,-0.3 -51,-0.0 -52,-0.3 0.063 109.7-110.2-123.5 30.0 11.0 13.5 -1.3 77 77 A N S < S+ 0 0 38 -3,-2.8 -53,-3.3 1,-0.2 2,-0.4 0.915 76.8 134.3 44.0 49.4 13.1 13.5 1.9 78 78 A T E -B 23 0A 11 -55,-0.2 -5,-2.5 -44,-0.0 -4,-1.1 -0.964 38.0-165.8-129.2 144.8 15.3 10.8 0.3 79 79 A V E -BC 22 72A 0 -57,-2.2 -57,-2.2 -2,-0.4 2,-0.4 -0.921 6.1-150.4-129.1 157.8 19.0 10.5 0.3 80 80 A Y E -BC 21 71A 51 -9,-2.8 -9,-2.0 -2,-0.3 2,-0.5 -0.963 5.7-156.4-128.9 144.8 21.4 8.4 -1.8 81 81 A L E -BC 20 70A 0 -61,-2.6 -61,-2.7 -2,-0.4 2,-0.7 -0.956 11.8-164.3-121.8 108.0 24.8 7.0 -1.0 82 82 A L E -BC 19 69A 48 -13,-3.4 -13,-2.0 -2,-0.5 2,-0.7 -0.854 7.8-166.2 -94.7 113.9 26.7 6.2 -4.3 83 83 A M E +BC 18 68A 0 -65,-3.4 -65,-1.8 -2,-0.7 3,-0.3 -0.878 9.0 178.6-107.6 108.4 29.7 4.0 -3.4 84 84 A N + 0 0 62 -17,-2.8 -67,-0.2 -2,-0.7 -68,-0.1 -0.626 60.2 21.0-103.2 165.2 32.3 3.5 -6.1 85 85 A S S S- 0 0 66 -70,-0.6 -1,-0.2 -2,-0.2 -68,-0.2 0.864 80.7-162.1 46.8 52.8 35.6 1.5 -6.0 86 86 A L - 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