==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=23-AUG-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE/IMMUNE SYSTEM 16-MAY-13 4KRL . COMPND 2 MOLECULE: NANOBODY/VHH DOMAIN 7D12; . SOURCE 2 ORGANISM_SCIENTIFIC: LAMA GLAMA; . AUTHOR K.M.FERGUSON,K.R.SCHMITZ . 327 2 6 6 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14278.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 206 63.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 38 11.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 55 16.8 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 3 0.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.3 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 . 23 7.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 46 14.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 12 3.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 0.9 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 1 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 RESIDUES PER ALPHA HELIX . 1 4 3 1 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 PARALLEL BRIDGES PER LADDER . 4 1 2 0 2 2 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 2 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 B Q 0 0 105 0, 0.0 26,-1.6 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0 160.8 0.0 -45.0 14.2 2 2 B V E -A 26 0A 11 24,-0.2 2,-0.4 140,-0.1 24,-0.2 -0.997 360.0-154.8-141.2 139.7 -3.3 -46.7 14.5 3 3 B K E -A 25 0A 53 22,-3.2 22,-3.1 -2,-0.3 2,-0.4 -0.954 9.2-160.4-115.5 141.0 -4.4 -50.1 15.8 4 4 B L E -A 24 0A 12 -2,-0.4 2,-0.5 110,-0.4 112,-0.5 -0.966 3.7-166.7-121.2 135.3 -7.6 -51.9 14.8 5 5 B E E -A 23 0A 127 18,-2.2 18,-2.3 -2,-0.4 2,-0.3 -0.976 12.9-145.9-121.3 120.2 -9.3 -54.7 16.6 6 6 B E E +A 22 0A 23 -2,-0.5 2,-0.3 16,-0.2 16,-0.3 -0.634 24.5 171.1 -82.1 140.1 -12.0 -56.8 14.9 7 7 B S E +A 21 0A 71 14,-3.7 14,-4.8 -2,-0.3 111,-0.1 -0.994 43.4 58.1-146.5 146.2 -14.9 -58.0 17.0 8 8 B G + 0 0 33 -2,-0.3 11,-0.4 12,-0.3 -1,-0.1 0.422 68.2 127.7 118.3 1.8 -18.3 -59.7 16.3 9 9 B G + 0 0 30 12,-0.1 2,-0.3 9,-0.1 111,-0.2 -0.052 18.0 112.0 -79.7-175.5 -17.3 -62.9 14.5 10 10 B G E -d 120 0B 32 109,-1.2 111,-2.1 2,-0.0 2,-0.3 -0.979 66.5 -40.8 149.4-159.4 -18.2 -66.5 15.3 11 11 B S E -d 121 0B 101 -2,-0.3 2,-0.3 109,-0.2 111,-0.2 -0.776 52.4-165.7-100.9 151.1 -20.2 -69.3 13.7 12 12 B V - 0 0 17 109,-2.1 2,-0.2 -2,-0.3 6,-0.1 -0.979 26.4-106.2-135.7 150.2 -23.6 -68.7 12.1 13 13 B Q > - 0 0 138 -2,-0.3 3,-3.2 109,-0.2 2,-0.5 -0.559 54.9 -92.2 -69.7 135.6 -26.5 -70.8 10.9 14 14 B T T 3 S+ 0 0 108 1,-0.3 73,-0.2 -2,-0.2 -1,-0.1 -0.332 119.5 21.1 -53.9 104.3 -26.6 -71.1 7.1 15 15 B G T 3 S+ 0 0 49 -2,-0.5 70,-0.4 1,-0.3 -1,-0.3 0.373 100.0 126.9 113.3 1.0 -28.9 -68.2 6.2 16 16 B G < - 0 0 7 -3,-3.2 70,-1.7 69,-0.2 -1,-0.3 -0.486 55.5-116.6 -93.2 160.3 -28.4 -66.2 9.4 17 17 B S + 0 0 62 67,-0.2 2,-0.3 68,-0.2 67,-0.2 -0.394 29.3 177.4 -89.5 169.5 -27.4 -62.6 10.1 18 18 B L - 0 0 23 -2,-0.1 65,-2.8 -6,-0.1 2,-0.4 -0.954 18.7-144.7-169.1 150.9 -24.2 -61.3 11.8 19 19 B R E - B 0 82A 103 -11,-0.4 63,-0.2 -2,-0.3 2,-0.2 -0.909 11.5-163.7-134.2 107.6 -22.6 -58.0 12.7 20 20 B L E - B 0 81A 0 61,-2.1 61,-2.7 -2,-0.4 2,-0.3 -0.539 8.6-162.8 -82.1 150.5 -18.8 -57.5 12.8 21 21 B T E -AB 7 80A 41 -14,-4.8 -14,-3.7 59,-0.3 2,-0.4 -0.962 8.5-161.5-131.8 154.3 -17.3 -54.5 14.5 22 22 B a E -AB 6 79A 0 57,-0.9 57,-1.5 -2,-0.3 2,-0.4 -0.970 7.1-161.9-136.8 118.9 -13.8 -52.9 14.3 23 23 B A E -AB 5 78A 40 -18,-2.3 -18,-2.2 -2,-0.4 2,-0.4 -0.868 10.0-146.2-104.3 134.6 -12.6 -50.5 17.0 24 24 B A E -A 4 0A 21 53,-2.3 2,-0.3 -2,-0.4 -20,-0.2 -0.814 13.9-172.5-102.6 138.0 -9.7 -48.2 16.3 25 25 B S E +A 3 0A 56 -22,-3.1 -22,-3.2 -2,-0.4 2,-0.3 -0.943 45.2 27.0-125.5 149.0 -7.0 -47.1 18.8 26 26 B G E S+A 2 0A 55 -2,-0.3 2,-3.4 -24,-0.2 -24,-0.2 -0.740 114.8 6.5 110.5-156.4 -4.2 -44.5 18.6 27 27 B R S S+ 0 0 65 -26,-1.6 -2,-0.1 -2,-0.3 3,-0.1 -0.334 80.0 147.7 -61.8 71.5 -3.8 -41.4 16.6 28 28 B T + 0 0 32 -2,-3.4 2,-1.3 1,-0.2 -1,-0.2 0.447 35.1 95.7 -94.2 -3.8 -7.4 -41.9 15.4 29 29 B S S S+ 0 0 114 -3,-0.2 2,-0.3 2,-0.1 -1,-0.2 -0.402 73.0 70.4 -91.7 59.1 -8.3 -38.2 15.1 30 30 B R S S- 0 0 25 -2,-1.3 2,-0.3 -3,-0.1 0, 0.0 -0.944 95.0 -56.4-156.1 177.1 -7.7 -37.8 11.4 31 31 B S + 0 0 4 -2,-0.3 70,-2.1 69,-0.1 2,-0.4 -0.439 57.4 168.6 -64.7 120.7 -9.0 -38.8 7.9 32 32 B Y E -E 100 0B 9 -2,-0.3 2,-0.4 68,-0.3 68,-0.2 -0.983 28.2-150.5-135.8 128.3 -9.3 -42.5 7.5 33 33 B G E -E 99 0B 0 66,-3.7 66,-3.4 -2,-0.4 2,-0.4 -0.806 24.8-155.0 -83.6 134.3 -10.9 -44.6 4.8 34 34 B M E +EF 98 51B 10 17,-2.0 17,-3.0 -2,-0.4 2,-0.3 -0.916 15.5 176.0-116.7 142.1 -12.1 -47.9 6.4 35 35 B G E -EF 97 50B 0 62,-2.0 62,-2.7 -2,-0.4 2,-0.4 -0.987 23.6-134.6-143.7 151.8 -12.6 -51.2 4.6 36 36 B W E +EF 96 49B 0 13,-4.0 12,-2.3 -2,-0.3 13,-1.7 -0.912 26.9 174.1-107.5 133.9 -13.5 -54.8 5.3 37 37 B F E -EF 95 47B 2 58,-2.7 58,-1.7 -2,-0.4 2,-0.3 -0.758 8.6-163.6-124.9 174.0 -11.6 -57.7 3.7 38 38 B R E -EF 94 46B 14 8,-1.9 8,-3.0 56,-0.3 2,-0.4 -0.986 9.8-153.1-155.2 159.8 -11.6 -61.5 4.0 39 39 B Q E -E 93 0B 47 54,-1.6 54,-2.1 -2,-0.3 6,-0.2 -0.942 10.5-157.5-141.7 119.0 -9.6 -64.5 3.2 40 40 B A > - 0 0 34 4,-0.4 3,-1.7 -2,-0.4 52,-0.2 -0.491 44.0 -75.9 -86.2 160.6 -11.0 -68.0 2.6 41 41 B P T 3 S- 0 0 115 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 -0.343 116.7 -0.3 -58.5 132.4 -8.9 -71.2 3.0 42 42 B G T 3 S+ 0 0 99 1,-0.2 2,-0.2 -3,-0.1 -2,-0.0 0.466 115.9 103.5 68.2 -0.0 -6.5 -71.7 0.1 43 43 B K S < S- 0 0 47 -3,-1.7 2,-0.2 1,-0.0 -1,-0.2 -0.545 75.7-103.9-103.9 172.9 -7.8 -68.6 -1.5 44 44 B E - 0 0 77 -2,-0.2 -4,-0.4 -3,-0.1 2,-0.1 -0.663 45.3 -88.7 -94.3 155.7 -6.3 -65.1 -1.8 45 45 B R - 0 0 77 -2,-0.2 2,-0.3 -6,-0.2 -6,-0.2 -0.392 52.8-169.0 -63.7 137.1 -7.5 -62.1 0.3 46 46 B E E -F 38 0B 80 -8,-3.0 -8,-1.9 -2,-0.1 2,-0.2 -0.878 24.0 -98.8-133.0 160.7 -10.3 -60.2 -1.3 47 47 B F E +F 37 0B 31 -2,-0.3 -10,-0.2 59,-0.3 3,-0.1 -0.554 35.8 165.8 -80.4 139.2 -12.3 -57.0 -0.9 48 48 B V E - 0 0 0 -12,-2.3 13,-2.4 1,-0.4 2,-0.3 0.720 59.4 -23.6-115.8 -61.5 -15.7 -57.0 0.9 49 49 B S E -FG 36 60B 0 -13,-1.7 -13,-4.0 11,-0.2 -1,-0.4 -0.987 50.5-167.5-154.3 161.8 -16.7 -53.5 1.7 50 50 B G E -FG 35 59B 0 9,-2.0 9,-2.0 -2,-0.3 2,-0.3 -0.978 3.2-160.9-149.7 158.6 -15.4 -50.0 2.3 51 51 B I E -FG 34 58B 4 -17,-3.0 -17,-2.0 -2,-0.3 7,-0.2 -0.999 20.4-120.1-145.6 141.2 -16.5 -46.6 3.6 52 52 B S - 0 0 13 5,-2.7 51,-0.2 -2,-0.3 50,-0.1 -0.180 33.2-106.5 -71.5 170.9 -15.3 -43.0 3.3 53 53 B W S S+ 0 0 93 49,-2.0 21,-0.2 1,-0.2 50,-0.1 0.947 120.8 44.3 -63.6 -51.5 -14.3 -40.8 6.2 54 54 B R S S- 0 0 80 48,-0.2 -1,-0.2 1,-0.1 20,-0.1 0.721 110.7-123.1 -68.4 -22.1 -17.4 -38.6 6.2 55 55 B G S S+ 0 0 28 2,-0.2 -1,-0.1 16,-0.0 -2,-0.1 0.215 82.6 109.3 101.0 -13.6 -19.5 -41.7 5.7 56 56 B D + 0 0 146 -5,-0.1 2,-0.3 2,-0.0 -3,-0.0 0.916 69.9 53.0 -62.1 -51.2 -21.2 -40.5 2.5 57 57 B S + 0 0 62 2,-0.0 -5,-2.7 0, 0.0 2,-0.3 -0.720 63.7 169.6 -97.0 138.0 -19.6 -42.9 0.0 58 58 B T E -G 51 0B 57 -2,-0.3 2,-0.3 -7,-0.2 -7,-0.2 -0.892 14.0-156.5-137.7 168.3 -19.5 -46.7 0.4 59 59 B G E -G 50 0B 7 -9,-2.0 -9,-2.0 -2,-0.3 2,-0.3 -0.993 4.5-168.9-151.9 143.3 -18.5 -49.7 -1.7 60 60 B Y E -G 49 0B 77 -2,-0.3 -11,-0.2 -11,-0.2 2,-0.1 -0.966 25.9-115.3-133.4 146.4 -19.4 -53.4 -1.9 61 61 B A > - 0 0 20 -13,-2.4 3,-1.3 -2,-0.3 4,-0.1 -0.425 33.6-116.0 -70.0 156.2 -18.1 -56.5 -3.7 62 62 B D G > S+ 0 0 157 1,-0.3 3,-1.2 2,-0.2 -1,-0.1 0.826 112.4 62.6 -64.3 -31.4 -20.5 -58.1 -6.2 63 63 B S G 3 S+ 0 0 65 1,-0.3 -1,-0.3 -15,-0.0 -15,-0.0 0.612 109.1 40.4 -71.1 -12.2 -20.6 -61.3 -4.1 64 64 B V G <> S+ 0 0 0 -3,-1.3 4,-1.8 -16,-0.2 3,-0.4 0.202 80.0 148.5-122.4 13.2 -22.1 -59.4 -1.1 65 65 B K T <4 S- 0 0 69 -3,-1.2 2,-0.8 1,-0.2 4,-0.1 -0.239 75.3 -2.3 -56.4 130.2 -24.6 -57.1 -2.9 66 66 B G T 4 S+ 0 0 82 2,-0.2 -1,-0.2 1,-0.1 18,-0.1 -0.144 123.4 73.7 84.2 -40.9 -27.7 -56.3 -1.0 67 67 B R T 4 S+ 0 0 50 -2,-0.8 17,-1.1 -3,-0.4 -2,-0.2 0.973 87.6 54.7 -70.6 -58.3 -26.7 -58.5 2.0 68 68 B F E < -C 83 0A 4 -4,-1.8 2,-0.3 15,-0.2 -2,-0.2 -0.394 60.4-168.2 -85.6 155.9 -23.9 -56.6 3.7 69 69 B T E -C 82 0A 66 13,-1.8 13,-2.0 -2,-0.1 2,-0.3 -0.996 5.7-154.7-142.8 138.0 -24.0 -53.1 5.1 70 70 B I E +C 81 0A 10 -2,-0.3 2,-0.3 11,-0.2 11,-0.2 -0.874 20.3 158.4-117.3 148.5 -21.2 -50.9 6.3 71 71 B S E -C 80 0A 42 9,-1.4 9,-2.2 -2,-0.3 2,-0.3 -0.982 17.8-155.4-162.2 157.7 -21.3 -48.0 8.7 72 72 B R E -C 79 0A 51 -2,-0.3 2,-0.5 7,-0.2 7,-0.2 -1.000 13.9-158.2-147.7 146.1 -19.1 -46.0 11.1 73 73 B D E >>> -C 78 0A 89 5,-1.2 5,-1.3 -2,-0.3 4,-1.0 -0.849 11.5-172.9-121.7 90.9 -19.4 -43.8 14.2 74 74 B N T 345S+ 0 0 56 -2,-0.5 -1,-0.1 1,-0.3 5,-0.0 0.687 84.7 59.6 -62.4 -20.5 -16.2 -41.6 14.2 75 75 B A T 345S+ 0 0 93 1,-0.2 -1,-0.3 -3,-0.1 -2,-0.0 0.927 115.9 33.4 -68.7 -46.4 -17.1 -40.3 17.7 76 76 B K T <45S- 0 0 61 -3,-0.6 -2,-0.2 2,-0.1 -1,-0.2 0.497 110.8-132.0 -83.2 -5.0 -16.9 -43.9 19.0 77 77 B N T <5 + 0 0 50 -4,-1.0 -53,-2.3 1,-0.2 2,-0.3 0.911 60.9 126.8 52.5 51.2 -14.2 -44.5 16.4 78 78 B T E < -BC 23 73A 36 -5,-1.3 -5,-1.2 -55,-0.2 2,-0.3 -0.829 45.7-159.0-130.4 166.2 -15.7 -47.7 15.1 79 79 B V E -BC 22 72A 2 -57,-1.5 -57,-0.9 -2,-0.3 -7,-0.2 -0.909 16.9-165.6-149.8 122.2 -16.8 -49.3 11.8 80 80 B D E -BC 21 71A 26 -9,-2.2 -9,-1.4 -2,-0.3 2,-0.3 -0.626 12.1-150.5-110.4 164.9 -19.3 -52.2 11.7 81 81 B L E -BC 20 70A 0 -61,-2.7 -61,-2.1 -2,-0.2 -11,-0.2 -0.827 6.5-156.2-139.2 98.5 -20.4 -54.7 9.0 82 82 B Q E -BC 19 69A 49 -13,-2.0 -13,-1.8 -2,-0.3 -63,-0.2 -0.511 11.5-170.2 -64.9 138.7 -23.9 -56.1 9.0 83 83 B M E + C 0 68A 0 -65,-2.8 3,-0.3 -15,-0.2 -15,-0.2 -0.575 9.9 175.7-138.0 72.6 -23.9 -59.5 7.2 84 84 B N + 0 0 63 -17,-1.1 -67,-0.2 -67,-0.2 -68,-0.1 -0.368 61.1 23.2 -79.8 157.2 -27.4 -60.7 6.5 85 85 B S S S- 0 0 74 -70,-0.4 -1,-0.2 1,-0.1 -69,-0.2 0.920 84.9-164.5 55.6 51.6 -28.3 -63.9 4.6 86 86 B L - 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