==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=8-JUL-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER IMMUNE SYSTEM 08-SEP-11 3TPK . COMPND 2 MOLECULE: IMMUNOGLOBULIN HEAVY CHAIN ANTIBODY VARIABLE DOMA . SOURCE 2 ORGANISM_SCIENTIFIC: CAMELIDAE; . AUTHOR C.PARTHIER,I.MORGADO,M.T.STUBBS,M.FANDRICH . 120 1 1 1 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 6685.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 79 65.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 4 3.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 47 39.2 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 1.7 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 . 0 0.0 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 7.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 12 10.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 3 2.5 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 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 0 PARALLEL BRIDGES PER LADDER . 1 0 2 0 0 4 1 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 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 E 0 0 182 0, 0.0 26,-2.2 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 54.0 -11.3 -3.9 -20.0 2 2 A V E +A 26 0A 23 24,-0.2 2,-0.4 26,-0.1 24,-0.2 -0.994 360.0 178.8-131.7 133.5 -8.7 -1.7 -18.3 3 3 A Q E -A 25 0A 114 22,-2.3 22,-2.3 -2,-0.4 2,-0.4 -0.998 10.5-163.3-138.9 136.8 -9.2 -0.2 -14.9 4 4 A L E -A 24 0A 11 106,-1.3 2,-0.4 -2,-0.4 20,-0.2 -0.948 4.2-164.2-114.8 143.4 -7.0 2.0 -12.8 5 5 A V E -A 23 0A 59 18,-1.7 18,-2.6 -2,-0.4 2,-0.3 -0.986 7.7-152.8-132.4 122.9 -7.5 2.6 -9.0 6 6 A E E +A 22 0A 14 -2,-0.4 2,-0.3 16,-0.2 16,-0.2 -0.696 24.6 152.4 -95.5 145.9 -5.7 5.4 -7.1 7 7 A S E +A 21 0A 67 14,-2.0 14,-2.5 -2,-0.3 108,-0.1 -0.935 32.9 77.5-155.9 173.2 -4.8 5.4 -3.5 8 8 A G + 0 0 30 -2,-0.3 11,-0.4 12,-0.2 -1,-0.1 0.408 58.6 135.1 104.1 0.3 -2.3 6.8 -1.0 9 9 A G + 0 0 28 12,-0.1 2,-0.3 9,-0.1 108,-0.3 0.012 18.2 134.7 -70.9 179.9 -3.7 10.4 -0.5 10 10 A G E -d 117 0B 28 106,-1.3 108,-2.7 105,-0.1 2,-0.5 -0.959 55.6 -66.0 162.2 178.8 -4.0 12.1 2.9 11 11 A S E +d 118 0B 101 -2,-0.3 2,-0.3 106,-0.2 108,-0.2 -0.887 53.0 173.1 -96.1 130.3 -3.5 15.3 4.8 12 12 A V E -d 119 0B 23 106,-2.7 108,-2.1 -2,-0.5 3,-0.1 -0.930 33.5-105.9-137.3 154.9 0.2 16.4 5.3 13 13 A Q > - 0 0 137 -2,-0.3 3,-2.6 106,-0.2 73,-0.2 -0.490 54.4 -83.1 -71.1 149.4 2.1 19.3 6.7 14 14 A P T 3 S+ 0 0 68 0, 0.0 73,-0.2 0, 0.0 -1,-0.1 -0.278 122.5 29.5 -51.0 135.8 3.9 21.6 4.2 15 15 A G T 3 S+ 0 0 44 71,-3.2 70,-0.8 1,-0.2 72,-0.1 0.245 100.9 124.2 93.1 -11.8 7.3 20.0 3.4 16 16 A G < - 0 0 23 -3,-2.6 70,-2.5 70,-0.2 2,-0.3 0.118 52.1-121.9 -80.8-168.3 5.9 16.5 3.9 17 17 A S + 0 0 63 67,-0.2 2,-0.3 68,-0.2 67,-0.2 -0.978 23.0 171.4-142.9 142.0 5.7 13.4 1.8 18 18 A L E - B 0 83A 29 65,-2.2 65,-3.3 -2,-0.3 2,-0.5 -0.971 20.8-144.7-144.7 153.3 3.1 11.0 0.4 19 19 A R E - B 0 82A 133 -11,-0.4 2,-0.3 -2,-0.3 63,-0.2 -0.968 17.4-159.4-120.2 115.6 3.3 8.1 -2.1 20 20 A L E - B 0 81A 0 61,-2.8 61,-2.5 -2,-0.5 2,-0.4 -0.678 5.8-150.7 -88.6 150.1 0.3 7.7 -4.4 21 21 A S E -AB 7 80A 22 -14,-2.5 -14,-2.0 -2,-0.3 2,-0.5 -0.937 12.2-164.1-121.8 145.5 -0.4 4.3 -6.2 22 22 A a E -AB 6 79A 3 57,-2.2 57,-2.3 -2,-0.4 2,-0.6 -0.945 17.1-166.3-124.6 99.7 -2.1 3.7 -9.5 23 23 A T E -AB 5 78A 60 -18,-2.6 -18,-1.7 -2,-0.5 2,-0.3 -0.834 6.7-158.0 -99.4 123.9 -3.0 -0.0 -9.5 24 24 A A E +A 4 0A 17 53,-2.7 2,-0.3 -2,-0.6 -20,-0.2 -0.707 13.3 177.2-103.0 148.6 -4.0 -1.4 -12.9 25 25 A S E +A 3 0A 52 -22,-2.3 -22,-2.3 -2,-0.3 2,-0.2 -0.969 41.9 39.9-143.4 164.0 -6.1 -4.4 -13.8 26 26 A G E S-A 2 0A 32 -2,-0.3 2,-1.8 -24,-0.2 -24,-0.2 -0.623 111.0 -22.3 97.4-158.0 -7.4 -5.9 -17.0 27 27 A Y S > S+ 0 0 171 -26,-2.2 3,-0.7 -2,-0.2 4,-0.1 -0.543 74.4 157.2 -92.2 74.2 -5.7 -6.2 -20.4 28 28 A T G > + 0 0 28 -2,-1.8 3,-2.1 1,-0.2 -1,-0.2 0.504 37.8 99.9 -84.6 -1.4 -3.3 -3.5 -19.7 29 29 A F G 3 S+ 0 0 171 1,-0.3 -1,-0.2 -3,-0.1 -2,-0.1 0.783 80.6 55.1 -59.8 -28.6 -0.5 -4.4 -22.2 30 30 A S G < S+ 0 0 42 -3,-0.7 2,-1.4 1,-0.2 -1,-0.3 0.622 88.3 83.7 -74.3 -14.5 -1.7 -1.9 -24.8 31 31 A Q < + 0 0 17 -3,-2.1 -1,-0.2 1,-0.2 22,-0.1 -0.552 50.0 159.3-100.1 72.9 -1.5 1.1 -22.3 32 32 A E + 0 0 65 -2,-1.4 21,-2.9 66,-0.1 22,-0.5 0.634 56.2 58.4 -73.3 -19.3 2.2 2.0 -22.6 33 33 A F E -EF 52 99B 27 66,-2.5 66,-2.2 19,-0.2 2,-0.4 -0.945 63.1-173.0-117.2 137.5 2.0 5.5 -21.2 34 34 A V E -EF 51 98B 9 17,-2.5 17,-2.4 -2,-0.4 2,-0.3 -0.980 2.5-172.3-128.9 139.9 0.7 6.5 -17.8 35 35 A I E -EF 50 97B 15 62,-2.8 62,-2.2 -2,-0.4 2,-0.5 -0.906 18.1-144.4-124.1 156.5 0.1 9.9 -16.4 36 36 A W E +EF 49 96B 0 13,-2.6 12,-2.4 -2,-0.3 13,-1.6 -0.983 26.8 177.9-109.9 134.7 -0.9 11.4 -13.0 37 37 A F E -EF 47 95B 9 58,-2.9 58,-3.0 -2,-0.5 2,-0.3 -0.901 11.5-151.9-130.5 163.7 -3.1 14.4 -13.2 38 38 A R E -EF 46 94B 16 8,-2.4 8,-2.6 -2,-0.3 2,-0.4 -0.947 6.2-165.6-137.6 151.0 -4.7 16.6 -10.5 39 39 A Q E - F 0 93B 71 54,-2.5 54,-2.6 -2,-0.3 6,-0.1 -0.959 2.5-165.1-141.8 121.3 -7.8 18.7 -10.1 40 40 A A > - 0 0 11 -2,-0.4 3,-2.0 4,-0.3 52,-0.1 -0.761 46.3 -82.9 -98.5 152.3 -8.5 21.2 -7.5 41 41 A P T 3 S+ 0 0 127 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 -0.230 117.5 10.0 -58.2 136.2 -12.2 22.5 -7.0 42 42 A G T 3 S+ 0 0 91 1,-0.2 2,-0.3 -3,-0.0 -3,-0.0 0.723 112.8 101.7 66.2 20.9 -12.8 25.3 -9.5 43 43 A K S < S- 0 0 133 -3,-2.0 2,-0.3 3,-0.0 -1,-0.2 -0.876 74.6-102.9-129.3 162.7 -9.6 24.7 -11.4 44 44 A E - 0 0 180 -2,-0.3 -4,-0.3 1,-0.1 -6,-0.1 -0.623 46.9 -91.1 -81.5 147.6 -8.6 23.0 -14.7 45 45 A R - 0 0 144 -2,-0.3 2,-0.4 -6,-0.1 -6,-0.2 -0.246 42.9-159.9 -45.6 132.8 -7.0 19.5 -14.7 46 46 A E E -E 38 0B 75 -8,-2.6 -8,-2.4 -3,-0.1 2,-0.6 -0.988 14.0-136.9-123.7 128.6 -3.2 19.6 -14.7 47 47 A I E +E 37 0B 56 -2,-0.4 -10,-0.3 -10,-0.2 3,-0.1 -0.692 24.3 177.0 -77.4 121.7 -0.9 16.8 -15.8 48 48 A V E - 0 0 0 -12,-2.4 13,-2.3 -2,-0.6 2,-0.3 0.778 59.4 -0.9 -97.5 -30.0 1.8 16.5 -13.2 49 49 A S E -EG 36 60B 0 -13,-1.6 -13,-2.6 11,-0.2 -1,-0.3 -0.989 53.6-171.4-156.8 154.3 3.8 13.5 -14.4 50 50 A G E -EG 35 59B 4 9,-2.2 9,-2.4 -2,-0.3 2,-0.3 -0.977 5.1-165.8-143.3 161.1 4.0 10.9 -17.1 51 51 A I E -EG 34 58B 7 -17,-2.4 -17,-2.5 -2,-0.3 2,-0.7 -0.997 21.2-136.6-146.3 141.4 6.0 7.7 -17.8 52 52 A S E > -E 33 0B 0 5,-2.5 4,-2.2 -2,-0.3 -19,-0.2 -0.907 17.1-161.0 -90.6 115.9 6.6 5.4 -20.7 53 53 A L T 4 S+ 0 0 49 -21,-2.9 -1,-0.1 -2,-0.7 -20,-0.1 0.764 88.5 48.6 -69.4 -26.8 6.4 2.0 -19.2 54 54 A R T 4 S+ 0 0 169 -22,-0.5 -1,-0.2 1,-0.1 -21,-0.1 0.797 127.7 18.9 -79.1 -38.5 8.3 0.5 -22.2 55 55 A K T 4 S- 0 0 121 2,-0.1 -2,-0.2 0, 0.0 -1,-0.1 0.616 93.4-123.4-111.6 -22.7 11.2 2.9 -22.4 56 56 A G < + 0 0 43 -4,-2.2 -3,-0.1 1,-0.3 2,-0.0 0.470 55.1 151.0 89.1 -3.9 11.4 4.7 -18.9 57 57 A W - 0 0 143 -5,-0.1 -5,-2.5 -6,-0.1 2,-0.3 -0.378 27.8-159.9 -52.1 141.9 11.1 8.2 -20.3 58 58 A T E -G 51 0B 55 -7,-0.2 2,-0.4 2,-0.0 -7,-0.2 -0.919 15.5-158.8-130.0 156.1 9.4 10.6 -17.9 59 59 A Y E -G 50 0B 106 -9,-2.4 -9,-2.2 -2,-0.3 2,-0.4 -0.983 10.6-177.4-127.8 143.0 7.6 13.9 -17.9 60 60 A Y E -G 49 0B 42 -2,-0.4 -11,-0.2 -11,-0.2 2,-0.1 -0.998 31.7-115.1-135.2 139.4 7.1 16.3 -15.0 61 61 A A >> - 0 0 4 -13,-2.3 3,-2.2 -2,-0.4 4,-0.8 -0.445 37.2-114.9 -59.1 147.4 5.3 19.6 -14.8 62 62 A D G >4 S+ 0 0 128 1,-0.3 3,-0.9 2,-0.2 -1,-0.1 0.849 112.8 58.8 -56.7 -39.6 7.8 22.3 -14.1 63 63 A S G 34 S+ 0 0 48 1,-0.2 -1,-0.3 3,-0.0 -15,-0.0 0.555 110.2 41.5 -73.7 -5.5 6.4 23.1 -10.7 64 64 A V G X> S+ 0 0 0 -3,-2.2 3,-2.4 -16,-0.2 4,-2.4 0.400 81.4 125.2-113.9 -4.7 6.9 19.6 -9.4 65 65 A K T << S+ 0 0 117 -3,-0.9 4,-0.1 -4,-0.8 -3,-0.0 -0.332 80.7 17.3 -60.9 137.2 10.3 18.9 -10.8 66 66 A G T 34 S+ 0 0 87 2,-0.4 -1,-0.3 1,-0.1 3,-0.1 0.350 126.1 60.0 85.1 -11.0 12.7 17.9 -8.1 67 67 A R T <4 S+ 0 0 15 -3,-2.4 17,-2.5 1,-0.2 2,-0.4 0.683 97.2 50.0-114.9 -42.4 9.8 17.1 -5.8 68 68 A F E < -C 83 0A 3 -4,-2.4 -2,-0.4 15,-0.2 2,-0.4 -0.834 59.5-170.0-105.6 145.8 7.7 14.4 -7.4 69 69 A T E -C 82 0A 72 13,-2.2 13,-3.1 -2,-0.4 2,-0.3 -0.992 8.6-153.3-136.8 126.9 9.1 11.1 -8.9 70 70 A I E +C 81 0A 7 -2,-0.4 2,-0.3 11,-0.2 11,-0.2 -0.770 25.7 159.8 -97.8 143.4 7.0 8.7 -11.1 71 71 A S E -C 80 0A 53 9,-2.1 9,-2.7 -2,-0.3 2,-0.3 -0.954 25.2-132.4-154.9 168.2 8.0 5.0 -11.1 72 72 A Q E -C 79 0A 61 -2,-0.3 2,-0.4 7,-0.2 7,-0.2 -0.917 8.0-162.6-130.2 153.8 6.6 1.6 -11.9 73 73 A D E > -C 78 0A 53 5,-2.9 5,-2.3 -2,-0.3 4,-0.4 -0.903 9.0-171.7-129.6 105.2 6.4 -1.9 -10.4 74 74 A N T > 5S+ 0 0 113 -2,-0.4 3,-1.5 1,-0.2 -1,-0.1 0.904 82.5 58.3 -72.2 -34.4 5.5 -4.4 -13.1 75 75 A A T 3 5S+ 0 0 106 1,-0.3 -1,-0.2 2,-0.1 -2,-0.0 0.882 115.7 37.9 -61.3 -31.0 4.9 -7.4 -10.7 76 76 A K T 3 5S- 0 0 125 -3,-0.2 -1,-0.3 2,-0.1 -52,-0.2 0.399 105.6-130.8 -96.2 3.9 2.3 -5.3 -8.9 77 77 A N T < 5 + 0 0 59 -3,-1.5 -53,-2.7 -4,-0.4 2,-0.3 0.902 65.1 135.0 43.2 51.0 1.0 -3.8 -12.2 78 78 A T E < -BC 23 73A 9 -5,-2.3 -5,-2.9 -55,-0.2 2,-0.4 -0.936 49.1-156.2-130.1 145.9 1.3 -0.4 -10.4 79 79 A V E -BC 22 72A 9 -57,-2.3 -57,-2.2 -2,-0.3 2,-0.3 -0.977 21.0-156.0-117.7 136.3 2.7 3.1 -11.1 80 80 A Y E -BC 21 71A 23 -9,-2.7 -9,-2.1 -2,-0.4 2,-0.5 -0.832 13.8-155.1-111.0 151.6 3.6 5.2 -8.1 81 81 A L E -BC 20 70A 0 -61,-2.5 -61,-2.8 -2,-0.3 2,-0.6 -0.941 12.3-158.7-121.5 107.8 4.0 9.0 -7.6 82 82 A Q E -BC 19 69A 61 -13,-3.1 -13,-2.2 -2,-0.5 2,-0.6 -0.779 9.4-164.7 -80.2 127.5 6.4 9.9 -4.8 83 83 A M E +BC 18 68A 0 -65,-3.3 -65,-2.2 -2,-0.6 2,-0.3 -0.945 13.2 172.3-118.2 110.6 5.6 13.4 -3.6 84 84 A N + 0 0 67 -17,-2.5 -67,-0.2 -2,-0.6 -68,-0.2 -0.761 60.7 22.0-110.9 160.1 8.2 15.0 -1.5 85 85 A N S S- 0 0 88 -70,-0.8 -69,-0.2 -2,-0.3 -1,-0.2 0.922 86.2-157.4 52.9 50.8 8.5 18.6 -0.2 86 86 A L - 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0 0 63 3,-0.1 3,-0.2 -68,-0.1 -68,-0.1 -0.842 68.3-138.5-134.3 170.7 0.4 6.6 -27.4 102 102 A A S S+ 0 0 56 -2,-0.3 3,-0.1 1,-0.1 -50,-0.0 -0.073 74.7 96.0-122.0 29.5 1.8 9.9 -26.1 103 103 A T S S+ 0 0 98 1,-0.2 2,-0.4 2,-0.0 -1,-0.1 0.791 84.3 27.5 -89.7 -32.3 0.5 12.4 -28.6 104 104 A H > - 0 0 101 -3,-0.2 3,-1.2 1,-0.1 4,-0.4 -0.998 55.6-145.3-140.8 131.3 -2.7 13.8 -27.1 105 105 A A G > S+ 0 0 66 -2,-0.4 3,-1.7 1,-0.2 -1,-0.1 0.865 99.7 68.5 -56.8 -34.1 -3.9 14.3 -23.5 106 106 A L G 3 S+ 0 0 155 1,-0.3 -1,-0.2 -3,-0.1 0, 0.0 0.727 91.0 60.3 -60.5 -25.0 -7.4 13.5 -24.8 107 107 A Y G < S+ 0 0 118 -3,-1.2 -1,-0.3 2,-0.1 2,-0.2 0.594 78.9 103.6 -84.7 -9.2 -6.5 9.9 -25.5 108 108 A F < + 0 0 22 -3,-1.7 2,-0.3 -4,-0.4 -9,-0.2 -0.532 50.7 154.4 -71.8 138.9 -5.6 9.1 -21.8 109 109 A D B +I 98 0B 76 -11,-2.4 -11,-2.5 -2,-0.2 -2,-0.1 -0.817 26.6 70.4-148.1 178.9 -8.4 7.2 -20.1 110 110 A Y + 0 0 82 -2,-0.3 -106,-1.3 1,-0.2 -1,-0.1 0.531 53.7 162.1 81.3 13.5 -9.4 4.7 -17.4 111 111 A W - 0 0 93 -108,-0.1 -1,-0.2 1,-0.1 -14,-0.1 -0.178 25.0-145.3 -60.6 154.9 -8.9 6.9 -14.3 112 112 A G - 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