==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=13-SEP-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER RNA BINDING PROTEIN/IMMUNE SYSTEM 03-FEB-12 4DK6 . COMPND 2 MOLECULE: SINGLE DOMAIN ANTIBODY VHH; . SOURCE 2 ORGANISM_SCIENTIFIC: LAMA GLAMA; . AUTHOR Y.-J.PARK,W.HOL . 423 10 2 2 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 21228.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 291 68.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 19 4.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 178 42.1 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 6 1.4 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 . 3 0.7 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 . 36 8.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 28 6.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 10 2.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 0.5 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 1 3 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 4 8 2 2 9 2 1 2 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 . 3 0 2 0 1 1 2 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 Q 0 0 175 0, 0.0 26,-4.0 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0 -40.7 39.3 17.1 4.3 2 2 A V E -A 26 0A 22 24,-0.3 2,-0.4 26,-0.1 24,-0.2 -0.965 360.0-170.7-141.4 125.6 39.3 13.7 6.2 3 3 A Q E -A 25 0A 135 22,-2.8 22,-2.3 -2,-0.3 2,-0.5 -0.967 5.8-159.8-117.7 132.1 42.3 11.6 7.2 4 4 A L E -A 24 0A 9 -2,-0.4 115,-0.7 113,-0.3 2,-0.5 -0.936 6.0-167.5-112.2 127.3 42.0 8.1 8.7 5 5 A Q E -A 23 0A 101 18,-2.4 18,-2.3 -2,-0.5 2,-0.3 -0.923 3.1-161.0-122.9 108.5 45.0 6.6 10.7 6 6 A E E +A 22 0A 13 -2,-0.5 2,-0.3 16,-0.2 16,-0.2 -0.644 19.4 161.0 -85.8 141.9 45.1 2.9 11.6 7 7 A S E +A 21 0A 63 14,-2.6 14,-3.6 -2,-0.3 114,-0.1 -0.981 38.7 61.6-151.9 158.7 47.4 1.6 14.4 8 8 A G S S+ 0 0 39 -2,-0.3 11,-0.5 12,-0.2 -1,-0.1 0.459 70.9 117.6 107.7 5.3 47.8 -1.4 16.6 9 9 A G + 0 0 25 12,-0.1 2,-0.3 9,-0.1 114,-0.2 0.253 24.0 108.5 -82.5-154.1 48.5 -4.2 14.1 10 10 A G E -d 123 0B 31 112,-2.4 114,-2.5 8,-0.1 2,-0.4 -0.853 64.2 -21.0 124.2-152.5 51.4 -6.5 13.6 11 11 A L E +d 124 0B 135 -2,-0.3 2,-0.3 112,-0.2 114,-0.2 -0.796 55.6 157.3-106.8 136.5 52.5 -10.1 14.1 12 12 A V E -d 125 0B 31 112,-2.5 114,-1.9 -2,-0.4 2,-0.2 -0.964 35.4-108.4-148.4 164.0 50.9 -12.6 16.5 13 13 A Q E > -d 126 0B 133 -2,-0.3 3,-2.4 112,-0.2 73,-0.2 -0.607 51.5 -77.8 -93.1 157.3 50.5 -16.4 17.0 14 14 A A T 3 S+ 0 0 48 112,-2.2 73,-0.2 1,-0.3 -1,-0.1 -0.254 121.2 23.9 -54.1 132.7 47.3 -18.4 16.5 15 15 A G T 3 S+ 0 0 55 71,-3.0 70,-0.6 1,-0.3 -1,-0.3 0.161 101.5 117.6 92.3 -16.3 45.0 -18.0 19.5 16 16 A G < - 0 0 27 -3,-2.4 70,-2.1 70,-0.2 2,-0.3 -0.054 54.6-130.4 -75.0 178.9 46.6 -14.6 20.3 17 17 A S - 0 0 65 67,-0.2 2,-0.3 68,-0.2 67,-0.2 -0.958 18.2-176.2-137.5 153.3 44.9 -11.2 20.3 18 18 A L E - B 0 83A 29 65,-1.9 65,-3.5 -2,-0.3 2,-0.5 -0.963 17.8-142.2-138.5 157.0 45.4 -7.6 19.0 19 19 A R E - B 0 82A 103 -11,-0.5 2,-0.4 -2,-0.3 63,-0.2 -0.963 17.2-158.6-122.5 112.8 43.5 -4.3 19.4 20 20 A L E - B 0 81A 0 61,-2.5 61,-2.7 -2,-0.5 2,-0.4 -0.741 8.2-164.2 -90.1 136.0 43.4 -2.1 16.3 21 21 A S E -AB 7 80A 28 -14,-3.6 -14,-2.6 -2,-0.4 2,-0.4 -0.932 7.4-163.7-121.4 145.3 42.7 1.6 16.7 22 22 A a E -AB 6 79A 1 57,-1.9 57,-1.8 -2,-0.4 2,-0.4 -0.948 4.3-163.1-131.7 113.1 41.6 4.2 14.1 23 23 A A E -AB 5 78A 46 -18,-2.3 -18,-2.4 -2,-0.4 2,-0.4 -0.803 8.4-155.3 -95.2 133.1 42.0 7.9 14.7 24 24 A A E +A 4 0A 13 53,-2.5 2,-0.3 -2,-0.4 -20,-0.2 -0.919 16.4 172.2-112.2 132.0 40.0 10.3 12.5 25 25 A S E +A 3 0A 70 -22,-2.3 -22,-2.8 -2,-0.4 2,-0.4 -0.912 40.5 39.9-135.6 163.0 41.0 13.9 11.8 26 26 A G E S+A 2 0A 60 -2,-0.3 2,-1.7 -24,-0.2 -24,-0.3 -0.857 117.2 0.7 102.4-140.1 39.8 16.8 9.6 27 27 A R S > S+ 0 0 117 -26,-4.0 3,-1.3 -2,-0.4 -2,-0.1 -0.557 70.1 159.1 -85.2 74.2 36.1 17.4 9.0 28 28 A T G > + 0 0 29 -2,-1.7 3,-1.8 1,-0.3 -1,-0.2 0.584 57.8 84.8 -71.9 -10.2 34.8 14.5 11.1 29 29 A S G 3 S+ 0 0 95 1,-0.3 -1,-0.3 -3,-0.2 -2,-0.1 0.664 88.1 53.1 -66.0 -15.9 31.5 16.3 11.3 30 30 A S G < S+ 0 0 14 -3,-1.3 2,-0.4 2,-0.0 -1,-0.3 0.293 90.5 98.9-100.6 6.7 30.6 14.6 8.0 31 31 A L < + 0 0 8 -3,-1.8 69,-0.2 1,-0.1 3,-0.1 -0.810 35.0 150.5-102.0 136.4 31.4 11.1 9.3 32 32 A Y + 0 0 59 67,-2.4 -1,-0.1 1,-0.5 68,-0.1 0.484 56.0 38.5-123.6 -95.8 28.8 8.6 10.5 33 33 A S - 0 0 1 68,-0.4 66,-2.7 66,-0.1 -1,-0.5 -0.433 65.8-161.5 -62.6 134.4 29.1 4.8 10.2 34 34 A M E +EF 51 98B 9 17,-2.2 17,-2.9 64,-0.2 2,-0.3 -0.952 13.4 179.2-116.8 143.6 32.6 3.6 10.9 35 35 A G E -EF 50 97B 0 62,-2.4 62,-2.9 -2,-0.4 2,-0.4 -0.985 26.7-132.0-146.1 153.2 33.8 0.1 9.8 36 36 A W E +EF 49 96B 0 13,-3.8 12,-2.1 -2,-0.3 13,-1.7 -0.903 28.9 176.3-105.6 135.4 36.7 -2.3 9.7 37 37 A F E -EF 47 95B 0 58,-2.9 58,-3.1 -2,-0.4 2,-0.3 -0.902 10.1-156.0-133.8 157.6 37.6 -4.0 6.5 38 38 A R E -EF 46 94B 11 8,-2.5 8,-3.1 -2,-0.3 2,-0.4 -0.978 9.1-159.2-140.1 153.6 40.4 -6.4 5.4 39 39 A Q E - F 0 93B 68 54,-2.0 54,-2.3 -2,-0.3 6,-0.2 -0.917 11.6-152.2-134.9 106.8 42.3 -7.5 2.3 40 40 A A > - 0 0 15 4,-0.4 3,-2.2 -2,-0.4 2,-0.5 -0.534 50.0 -83.4 -67.6 142.1 44.1 -10.8 2.3 41 41 A P T 3 S+ 0 0 114 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 -0.326 115.6 9.7 -60.6 106.9 47.0 -10.6 -0.2 42 42 A G T 3 S+ 0 0 85 -2,-0.5 2,-0.2 1,-0.4 -2,-0.0 0.229 111.0 89.3 115.1 -10.7 45.6 -11.2 -3.7 43 43 A K S < S- 0 0 141 -3,-2.2 -1,-0.4 1,-0.1 3,-0.1 -0.574 82.5 -75.8-113.1 173.1 41.8 -11.2 -2.9 44 44 A E - 0 0 169 -2,-0.2 -4,-0.4 1,-0.1 2,-0.2 -0.312 52.7 -99.3 -63.6 149.3 39.0 -8.7 -2.8 45 45 A R - 0 0 84 -6,-0.2 2,-0.3 -8,-0.0 -6,-0.2 -0.531 49.5-159.6 -67.4 136.3 38.6 -6.3 0.1 46 46 A E E -E 38 0B 71 -8,-3.1 -8,-2.5 -2,-0.2 2,-0.2 -0.934 19.4-105.5-131.6 147.8 36.0 -7.7 2.5 47 47 A F E +E 37 0B 23 -2,-0.3 -10,-0.2 -10,-0.2 3,-0.1 -0.439 36.5 165.1 -65.0 134.7 33.7 -6.5 5.3 48 48 A V E - 0 0 0 -12,-2.1 13,-2.9 1,-0.4 2,-0.3 0.708 60.8 -23.8-111.9 -63.5 34.8 -7.4 8.9 49 49 A A E -EG 36 60B 0 -13,-1.7 -13,-3.8 11,-0.2 -1,-0.4 -0.986 54.6-172.6-153.8 152.1 32.8 -5.3 11.3 50 50 A A E -EG 35 59B 0 9,-2.3 9,-2.4 -2,-0.3 2,-0.3 -0.988 4.9-160.6-151.0 157.5 31.0 -2.0 11.5 51 51 A I E -EG 34 58B 5 -17,-2.9 -17,-2.2 -2,-0.3 7,-0.2 -0.989 22.7-114.6-142.7 143.3 29.3 0.3 14.0 52 52 A S > - 0 0 0 5,-2.3 3,-1.4 -2,-0.3 55,-0.2 -0.312 37.5-101.0 -75.1 161.8 26.7 3.2 13.7 53 53 A R T 3 S+ 0 0 45 50,-0.4 52,-0.2 53,-0.4 51,-0.1 0.828 125.0 42.3 -50.7 -40.4 27.5 6.8 14.6 54 54 A N T 3 S- 0 0 48 50,-2.0 -1,-0.3 354,-0.0 51,-0.1 0.538 108.7-125.1 -86.8 -7.0 25.8 6.5 18.1 55 55 A G S < S+ 0 0 31 -3,-1.4 -2,-0.1 49,-0.3 50,-0.1 0.607 79.7 114.6 74.9 14.8 27.3 3.1 18.7 56 56 A A S S+ 0 0 44 1,-0.2 2,-0.5 141,-0.0 130,-0.2 0.731 70.3 49.4 -87.2 -26.4 24.0 1.4 19.3 57 57 A N + 0 0 13 48,-0.1 -5,-2.3 307,-0.1 2,-0.3 -0.972 64.6 175.3-122.9 124.9 24.0 -0.9 16.3 58 58 A T E -G 51 0B 41 -2,-0.5 2,-0.3 -7,-0.2 -7,-0.2 -0.877 8.7-164.2-122.9 156.5 27.0 -3.1 15.3 59 59 A Y E -G 50 0B 70 -9,-2.4 -9,-2.3 -2,-0.3 2,-0.4 -0.999 4.0-170.4-145.0 141.5 27.4 -5.7 12.5 60 60 A Y E -G 49 0B 38 -2,-0.3 -11,-0.2 -11,-0.2 2,-0.1 -0.975 29.5-111.3-133.6 142.9 29.9 -8.5 11.9 61 61 A T >> - 0 0 40 -13,-2.9 3,-2.0 -2,-0.4 4,-0.7 -0.495 42.2-112.2 -65.4 143.7 30.9 -10.9 9.1 62 62 A D G >4 S+ 0 0 84 1,-0.3 3,-0.7 2,-0.2 -1,-0.1 0.792 111.2 59.2 -52.4 -37.8 29.9 -14.5 10.1 63 63 A S G 34 S+ 0 0 70 1,-0.2 -1,-0.3 3,-0.0 -2,-0.0 0.389 109.8 42.0 -79.8 2.7 33.5 -15.8 10.4 64 64 A V G X> S+ 0 0 0 -3,-2.0 4,-2.0 -16,-0.2 3,-2.0 0.384 81.5 125.6-122.7 -2.5 34.5 -13.2 13.1 65 65 A K T << S+ 0 0 39 -3,-0.7 4,-0.1 -4,-0.7 257,-0.1 -0.364 80.7 14.5 -59.0 131.3 31.4 -13.3 15.3 66 66 A G T 34 S+ 0 0 38 2,-0.4 -1,-0.3 -2,-0.1 3,-0.1 0.323 125.7 61.3 83.8 -6.4 32.2 -14.1 18.9 67 67 A R T <4 S+ 0 0 10 -3,-2.0 17,-2.5 1,-0.2 2,-0.4 0.608 97.6 54.8-117.6 -27.7 35.9 -13.4 18.3 68 68 A F E < -C 83 0A 4 -4,-2.0 -2,-0.4 15,-0.2 2,-0.4 -0.896 57.9-170.3-117.0 141.0 35.9 -9.7 17.2 69 69 A T E -C 82 0A 76 13,-2.2 13,-2.6 -2,-0.4 2,-0.4 -0.995 5.6-160.6-132.9 127.1 34.4 -6.7 19.0 70 70 A I E +C 81 0A 7 -2,-0.4 2,-0.3 11,-0.2 11,-0.2 -0.849 19.7 158.4-105.3 141.6 34.0 -3.2 17.5 71 71 A S E -C 80 0A 42 9,-2.1 9,-1.9 -2,-0.4 2,-0.3 -0.873 17.4-155.3-146.6 179.3 33.5 -0.0 19.6 72 72 A R E -C 79 0A 43 -2,-0.3 2,-0.4 7,-0.3 7,-0.2 -0.990 13.7-152.2-159.4 154.6 34.0 3.8 19.3 73 73 A D E >>> -C 78 0A 59 5,-2.6 5,-2.0 -2,-0.3 4,-0.6 -0.942 7.1-167.7-132.0 112.5 34.5 7.0 21.3 74 74 A N T 345S+ 0 0 11 -2,-0.4 -1,-0.1 1,-0.2 336,-0.1 0.688 85.4 62.3 -75.1 -19.8 33.1 10.1 19.6 75 75 A A T 345S+ 0 0 76 1,-0.2 -1,-0.2 3,-0.1 335,-0.0 0.805 116.4 31.8 -71.8 -30.1 34.9 12.5 22.0 76 76 A K T <45S- 0 0 153 -3,-0.5 -52,-0.3 2,-0.1 -2,-0.2 0.411 105.9-127.2-103.2 -3.6 38.3 11.2 20.7 77 77 A N T <5 + 0 0 48 -4,-0.6 -53,-2.5 1,-0.2 2,-0.4 0.899 62.7 136.2 52.7 48.0 37.1 10.4 17.2 78 78 A T E < -BC 23 73A 28 -5,-2.0 -5,-2.6 -55,-0.2 2,-0.4 -0.967 42.7-161.6-127.5 140.2 38.4 6.8 17.3 79 79 A V E -BC 22 72A 1 -57,-1.8 -57,-1.9 -2,-0.4 2,-0.3 -0.975 18.6-162.0-114.4 134.4 37.0 3.4 16.3 80 80 A E E -BC 21 71A 54 -9,-1.9 -9,-2.1 -2,-0.4 2,-0.4 -0.858 12.5-159.5-117.8 151.4 38.6 0.3 17.9 81 81 A L E -BC 20 70A 0 -61,-2.7 -61,-2.5 -2,-0.3 2,-0.7 -0.897 6.7-158.3-132.4 104.4 38.6 -3.4 17.0 82 82 A Q E -BC 19 69A 46 -13,-2.6 -13,-2.2 -2,-0.4 2,-0.6 -0.729 13.6-163.5 -79.0 115.1 39.4 -5.9 19.7 83 83 A M E +BC 18 68A 0 -65,-3.5 -65,-1.9 -2,-0.7 2,-0.3 -0.922 14.2 172.5-105.7 117.3 40.5 -9.1 17.9 84 84 A N + 0 0 62 -17,-2.5 -67,-0.2 -2,-0.6 -68,-0.1 -0.782 55.1 22.9-118.4 166.0 40.6 -12.3 20.0 85 85 A S S S- 0 0 69 -70,-0.6 -1,-0.2 -2,-0.3 -69,-0.2 0.905 83.8-156.7 45.3 57.2 41.2 -16.0 19.2 86 86 A L - 0 0 3 -70,-2.1 -71,-3.0 -73,-0.2 -70,-0.2 -0.334 11.2-162.9 -71.9 142.5 43.1 -15.2 16.1 87 87 A K > - 0 0 90 -73,-0.2 3,-2.6 -72,-0.1 4,-0.2 -0.881 35.2-111.0-121.1 152.0 43.4 -17.7 13.2 88 88 A P G > S+ 0 0 53 0, 0.0 3,-1.9 0, 0.0 37,-0.3 0.837 117.0 67.1 -42.8 -38.3 45.8 -17.9 10.2 89 89 A E G 3 S+ 0 0 134 1,-0.3 -49,-0.1 -49,-0.0 -3,-0.0 0.610 89.0 65.3 -62.8 -15.0 42.7 -17.1 8.1 90 90 A D G < + 0 0 2 -3,-2.6 2,-0.3 2,-0.0 -1,-0.3 0.474 69.9 123.4 -89.1 -3.6 42.6 -13.6 9.7 91 91 A T < + 0 0 36 -3,-1.9 2,-0.3 -4,-0.2 33,-0.2 -0.449 40.6 107.4 -62.8 118.8 45.9 -12.6 8.1 92 92 A A E S- H 0 123B 1 31,-1.9 31,-2.4 -2,-0.3 2,-0.6 -0.970 74.6 -81.3-175.5 169.4 45.3 -9.5 6.0 93 93 A V E -FH 39 122B 36 -54,-2.3 -54,-2.0 -2,-0.3 2,-0.4 -0.845 48.9-145.5 -87.7 124.3 45.8 -5.7 5.7 94 94 A Y E -FH 38 121B 0 27,-2.8 27,-2.3 -2,-0.6 2,-0.4 -0.788 16.2-171.5-100.1 135.6 43.1 -4.0 7.8 95 95 A Y E -F 37 0B 32 -58,-3.1 -58,-2.9 -2,-0.4 2,-0.4 -0.962 16.5-143.7-123.4 138.4 41.4 -0.7 6.9 96 96 A a E -F 36 0B 0 -2,-0.4 22,-1.7 -60,-0.2 2,-0.3 -0.857 26.0-168.5 -95.0 139.3 39.1 1.6 8.9 97 97 A A E -FI 35 117B 0 -62,-2.9 -62,-2.4 -2,-0.4 2,-0.4 -0.925 11.4-150.2-128.9 154.1 36.4 3.2 6.7 98 98 A A E -FI 34 116B 0 18,-1.7 18,-2.3 -2,-0.3 17,-1.9 -0.966 7.7-145.9-126.0 141.0 33.9 6.0 7.2 99 99 A D - 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