==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER IMMUNE SYSTEM 05-APR-04 1VER . COMPND 2 MOLECULE: NEW ANTIGEN RECEPTOR VARIABLE DOMAIN; . SOURCE 2 ORGANISM_SCIENTIFIC: ORECTOLOBUS MACULATUS; . AUTHOR V.A.STRELTSOV . 100 2 1 1 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 5725.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 64 64.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 3 3.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 39 39.0 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 1.0 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 . 1 1.0 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 . 13 13.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 6 6.0 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+4), SAME NUMBER PER 100 RESIDUES . 1 1.0 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 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 0 PARALLEL BRIDGES PER LADDER . 2 2 1 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 0 ANTIPARALLEL BRIDGES PER LADDER . 0 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 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 A 0 0 74 0, 0.0 2,-0.3 0, 0.0 25,-0.2 0.000 360.0 360.0 360.0-175.6 54.2 40.2 -1.0 2 2 A W E -A 25 0A 102 23,-1.2 23,-3.2 89,-0.1 2,-0.4 -0.960 360.0-121.4-167.2 161.4 51.8 41.0 1.8 3 3 A V E -A 24 0A 11 89,-0.3 2,-0.7 -2,-0.3 91,-0.3 -0.884 20.3-147.0-109.5 139.7 49.4 39.5 4.4 4 4 A D E -A 23 0A 28 19,-2.0 19,-0.7 -2,-0.4 2,-0.4 -0.896 19.5-172.3-115.0 98.2 45.8 40.6 4.3 5 5 A Q E -A 22 0A 3 -2,-0.7 17,-0.2 17,-0.2 89,-0.1 -0.817 13.0-133.8-104.2 144.5 44.5 40.6 7.8 6 6 A T E S+A 21 0A 69 15,-1.3 15,-2.9 -2,-0.4 2,-0.1 -0.996 70.8 25.9-157.7 128.7 40.8 41.1 8.6 7 7 A P - 0 0 47 0, 0.0 -1,-0.2 0, 0.0 3,-0.1 0.646 57.1-160.2 -82.5 170.2 39.2 42.7 10.5 8 8 A R S S+ 0 0 162 1,-0.3 89,-1.4 88,-0.2 2,-0.3 0.608 84.5 21.9 -83.1 -13.2 41.4 45.7 11.4 9 9 A T E +e 97 0B 105 87,-0.2 2,-0.3 2,-0.0 -1,-0.3 -0.942 61.3 176.0-154.7 129.9 39.2 46.2 14.5 10 10 A A E -e 98 0B 12 87,-1.1 89,-1.8 -2,-0.3 2,-1.1 -0.866 7.8-174.2-139.1 106.1 36.9 43.9 16.5 11 11 A T + 0 0 113 -2,-0.3 89,-0.2 87,-0.2 87,-0.1 -0.732 28.1 162.8 -92.4 79.7 35.2 45.1 19.7 12 12 A K - 0 0 84 -2,-1.1 89,-0.7 87,-0.3 2,-0.3 -0.205 29.7-123.0 -78.2 179.2 33.7 41.7 20.7 13 13 A E > - 0 0 117 87,-0.2 3,-1.5 4,-0.1 60,-0.3 -0.840 35.2 -69.1-129.4 171.8 32.4 41.0 24.2 14 14 A T T 3 S+ 0 0 64 -2,-0.3 60,-0.2 1,-0.3 3,-0.1 -0.295 117.6 20.9 -67.3 135.3 33.1 38.4 26.9 15 15 A G T 3 S+ 0 0 47 58,-2.5 57,-0.5 1,-0.4 -1,-0.3 -0.093 104.8 102.4 98.4 -31.2 31.9 34.9 26.2 16 16 A E < - 0 0 77 -3,-1.5 57,-3.6 56,-0.2 -1,-0.4 -0.053 66.2-126.0 -73.2 177.1 31.9 35.6 22.4 17 17 A S - 0 0 27 55,-0.2 2,-0.4 54,-0.2 54,-0.2 -0.798 9.3-142.5-123.3 170.0 34.5 34.5 19.9 18 18 A L E - B 0 70A 4 52,-1.7 52,-2.8 -2,-0.3 2,-0.6 -0.999 4.5-164.2-132.3 131.9 36.7 36.1 17.3 19 19 A T E - B 0 69A 56 -2,-0.4 2,-0.4 50,-0.3 50,-0.2 -0.957 9.4-169.7-115.4 109.7 37.8 34.9 13.9 20 20 A I E - B 0 68A 0 48,-2.5 48,-2.0 -2,-0.6 2,-0.5 -0.810 11.3-152.7 -89.5 139.9 40.7 36.8 12.4 21 21 A N E -AB 6 67A 74 -15,-2.9 -15,-1.3 -2,-0.4 2,-0.3 -0.968 12.9-176.1-125.4 122.1 41.4 36.0 8.7 22 22 A a E -AB 5 66A 3 44,-2.7 44,-2.3 -2,-0.5 2,-0.3 -0.866 2.6-173.8-110.7 145.3 44.7 36.3 6.9 23 23 A V E -AB 4 65A 40 -19,-0.7 -19,-2.0 -2,-0.3 2,-0.7 -0.987 25.9-128.2-139.0 133.0 45.6 35.7 3.3 24 24 A L E -A 3 0A 7 40,-2.6 3,-0.3 -2,-0.3 2,-0.3 -0.717 39.1-158.5 -78.4 113.7 49.1 35.7 1.6 25 25 A R E -A 2 0A 103 -23,-3.2 -23,-1.2 -2,-0.7 3,-0.1 -0.640 51.7 -8.7-105.5 148.1 48.7 38.1 -1.3 26 26 A D S S+ 0 0 128 -2,-0.3 2,-0.4 -25,-0.2 -1,-0.2 0.786 88.7 143.4 43.7 42.7 50.5 38.7 -4.6 27 27 A A - 0 0 13 -3,-0.3 -1,-0.2 2,-0.1 -3,-0.0 -0.961 49.0-150.9-119.5 128.4 53.3 36.2 -3.6 28 28 A S S S+ 0 0 122 -2,-0.4 2,-0.2 -3,-0.1 -1,-0.1 0.722 81.4 66.2 -67.0 -25.3 55.1 33.8 -6.0 29 29 A Y S S- 0 0 44 1,-0.1 -2,-0.1 0, 0.0 3,-0.1 -0.558 85.8-116.3 -92.9 162.0 55.7 31.2 -3.3 30 30 A G - 0 0 39 -2,-0.2 2,-0.5 1,-0.1 -1,-0.1 0.010 42.2 -72.1 -84.0-164.3 53.0 29.2 -1.5 31 31 A L + 0 0 4 1,-0.1 -1,-0.1 34,-0.0 56,-0.1 -0.798 57.1 154.5 -96.8 130.0 52.1 29.1 2.2 32 32 A E + 0 0 109 54,-1.0 55,-0.2 1,-0.5 -1,-0.1 0.101 52.6 11.5-123.6-122.2 54.4 27.5 4.6 33 33 A S - 0 0 67 52,-0.1 53,-2.3 53,-0.1 -1,-0.5 -0.090 66.1-161.5 -56.6 158.3 54.9 28.1 8.4 34 34 A T E -H 85 0C 35 51,-0.2 2,-0.3 -3,-0.1 51,-0.2 -0.945 9.2-178.8-137.9 163.5 52.2 30.3 10.1 35 35 A G E -H 84 0C 10 49,-1.2 49,-1.6 -2,-0.3 2,-0.3 -0.969 15.2-152.0-168.5 141.9 52.2 32.2 13.4 36 36 A W E -H 83 0C 2 13,-0.5 13,-2.6 -2,-0.3 2,-0.4 -0.906 9.5-167.3-123.1 149.7 50.1 34.4 15.7 37 37 A Y E -HI 82 48C 36 45,-2.0 45,-1.8 -2,-0.3 11,-0.2 -0.979 4.9-160.6-142.0 119.3 51.2 37.1 18.2 38 38 A R E - I 0 47C 39 9,-2.0 9,-1.9 -2,-0.4 2,-0.4 -0.565 5.8-158.0 -77.8 154.9 49.1 38.8 20.9 39 39 A T - 0 0 27 7,-0.2 41,-1.3 -2,-0.2 7,-0.1 -0.883 27.8-132.1-128.1 106.1 50.3 42.1 22.3 40 40 A K B > -F 79 0B 70 5,-0.4 3,-2.4 -2,-0.4 2,-0.3 -0.393 25.8-105.4 -61.6 122.6 48.6 42.1 25.6 41 41 A L T 3 S+ 0 0 119 37,-1.8 -1,-0.1 1,-0.2 3,-0.1 -0.370 112.4 44.8 -40.9 107.3 46.9 45.4 26.2 42 42 A G T 3 S+ 0 0 87 1,-0.4 -1,-0.2 -2,-0.3 2,-0.2 -0.188 105.1 58.9 141.4 -44.6 49.4 46.8 28.7 43 43 A S < - 0 0 60 -3,-2.4 -1,-0.4 2,-0.1 0, 0.0 -0.625 59.9-143.7-116.7 167.5 52.8 46.0 27.3 44 44 A T S S+ 0 0 142 -2,-0.2 2,-0.4 -3,-0.1 -1,-0.1 0.667 73.2 107.7 -97.4 -27.6 55.0 46.6 24.2 45 45 A N - 0 0 113 1,-0.1 2,-0.5 -5,-0.1 -5,-0.4 -0.375 65.3-146.4 -48.3 106.1 56.4 43.0 24.4 46 46 A E - 0 0 61 -2,-0.4 2,-0.4 -7,-0.1 -7,-0.2 -0.740 17.8-161.9 -83.9 131.3 54.8 41.1 21.5 47 47 A Q E -I 38 0C 67 -9,-1.9 -9,-2.0 -2,-0.5 -2,-0.0 -0.952 18.3-114.7-123.7 130.6 54.3 37.4 22.5 48 48 A T E -I 37 0C 93 -2,-0.4 2,-0.5 -11,-0.2 -11,-0.3 -0.240 27.2-129.9 -52.6 140.0 53.7 34.3 20.4 49 49 A I - 0 0 10 -13,-2.6 2,-0.9 2,-0.0 -13,-0.5 -0.871 14.6-139.0 -92.8 132.7 50.3 32.6 20.7 50 50 A S - 0 0 108 -2,-0.5 5,-0.2 -15,-0.1 -15,-0.0 -0.796 23.8-126.0 -98.2 99.3 50.5 28.8 21.3 51 51 A I + 0 0 75 -2,-0.9 2,-0.2 -15,-0.1 5,-0.1 -0.101 64.6 85.6 -54.6 121.9 47.8 27.2 19.2 52 52 A G B > S+C 55 0A 41 3,-1.1 3,-1.5 0, 0.0 2,-0.4 -0.793 72.9 14.3 159.7 158.4 45.5 24.9 21.2 53 53 A G T 3 S+ 0 0 65 1,-0.3 18,-0.1 -2,-0.2 -2,-0.0 -0.416 128.4 8.2 65.3-115.2 42.4 25.0 23.4 54 54 A R T 3 S+ 0 0 51 -2,-0.4 17,-2.7 16,-0.1 2,-0.5 0.813 123.6 67.6 -69.0 -37.1 40.5 28.3 23.0 55 55 A Y E < -CD 52 70A 31 -3,-1.5 -3,-1.1 15,-0.2 2,-0.4 -0.808 68.8-178.5 -87.4 125.1 42.6 29.5 20.1 56 56 A V E - D 0 69A 44 13,-2.5 13,-2.5 -2,-0.5 2,-0.3 -0.972 9.4-157.0-134.2 117.1 42.0 27.3 17.1 57 57 A E E - D 0 68A 51 -2,-0.4 2,-0.4 11,-0.2 11,-0.2 -0.748 5.8-167.5-102.6 141.0 43.9 27.8 13.8 58 58 A T E - D 0 67A 69 9,-2.5 9,-1.1 -2,-0.3 2,-0.6 -0.993 7.2-163.9-128.0 120.2 42.8 26.7 10.4 59 59 A V E - D 0 66A 61 -2,-0.4 2,-0.5 7,-0.2 7,-0.2 -0.927 13.4-178.2-116.3 120.1 45.2 26.8 7.5 60 60 A N E > > + D 0 65A 89 5,-3.0 5,-2.7 -2,-0.6 3,-0.9 -0.755 8.6 179.0-109.8 80.8 44.3 26.6 3.8 61 61 A K T 3 5S+ 0 0 143 -2,-0.5 -31,-0.0 3,-0.3 -2,-0.0 -0.623 73.2 55.8 -71.2 141.0 47.5 26.6 1.9 62 62 A G T 3 5S+ 0 0 82 -2,-0.3 -1,-0.2 0, 0.0 -2,-0.0 -0.386 116.0 39.7 116.4 -51.0 46.4 26.4 -1.7 63 63 A S T < 5S- 0 0 67 -3,-0.9 -2,-0.2 2,-0.2 -39,-0.1 0.154 111.4-126.7-101.7 12.7 44.2 29.4 -1.2 64 64 A K T 5 + 0 0 55 1,-0.2 -40,-2.6 -41,-0.1 2,-0.3 0.772 64.2 141.1 49.5 26.2 47.1 30.9 0.9 65 65 A S E < +BD 23 60A 35 -5,-2.7 -5,-3.0 -42,-0.2 2,-0.3 -0.771 25.2 170.2-100.9 141.4 44.5 31.4 3.7 66 66 A F E -BD 22 59A 1 -44,-2.3 -44,-2.7 -2,-0.3 2,-0.3 -0.955 7.5-176.0-146.1 164.0 45.0 31.0 7.4 67 67 A S E -BD 21 58A 17 -9,-1.1 -9,-2.5 -2,-0.3 2,-0.5 -0.996 18.8-148.3-166.6 144.8 42.8 31.9 10.3 68 68 A L E -BD 20 57A 0 -48,-2.0 -48,-2.5 -2,-0.3 2,-0.6 -0.986 7.2-167.0-129.4 116.2 42.5 32.0 14.1 69 69 A R E -BD 19 56A 118 -13,-2.5 -13,-2.5 -2,-0.5 2,-0.6 -0.948 9.4-159.1 -96.3 121.4 39.2 31.6 16.0 70 70 A I E -BD 18 55A 0 -52,-2.8 -52,-1.7 -2,-0.6 -15,-0.2 -0.919 16.8-152.5-100.3 114.3 39.6 32.6 19.6 71 71 A R + 0 0 125 -17,-2.7 -54,-0.2 -2,-0.6 3,-0.1 -0.466 63.5 12.8 -91.1 153.7 36.8 31.0 21.6 72 72 A D S S- 0 0 73 -57,-0.5 -1,-0.2 -2,-0.1 -55,-0.2 0.959 86.4-137.4 49.3 73.1 35.2 32.1 24.8 73 73 A L - 0 0 0 -57,-3.6 -58,-2.5 -60,-0.3 2,-0.2 -0.401 19.5-163.6 -68.5 132.3 36.7 35.6 24.8 74 74 A R > - 0 0 122 -60,-0.2 3,-0.8 -2,-0.1 4,-0.2 -0.618 33.5-115.3-101.9 168.5 37.9 36.9 28.2 75 75 A V G > S+ 0 0 78 1,-0.2 3,-2.1 -2,-0.2 25,-0.3 0.868 115.5 69.4 -68.3 -36.6 38.7 40.5 29.0 76 76 A E G 3 S+ 0 0 117 1,-0.3 -1,-0.2 -36,-0.1 -35,-0.1 0.638 89.0 67.2 -48.4 -21.0 42.3 39.3 29.4 77 77 A D G < + 0 0 5 -3,-0.8 -1,-0.3 -37,-0.1 21,-0.2 0.595 66.7 118.6 -85.5 -15.0 42.3 38.9 25.6 78 78 A S < + 0 0 9 -3,-2.1 -37,-1.8 -4,-0.2 2,-0.3 -0.313 47.0 87.5 -53.5 132.9 42.0 42.5 24.6 79 79 A G E S-FG 40 98B 4 19,-1.8 19,-2.3 -39,-0.2 2,-0.6 -0.972 80.2 -57.7 163.5-166.3 45.0 43.5 22.6 80 80 A T E - G 0 97B 32 -41,-1.3 2,-0.4 -2,-0.3 17,-0.2 -0.928 44.9-160.4-116.6 115.8 46.5 43.6 19.1 81 81 A Y E - G 0 96B 0 15,-2.1 15,-1.7 -2,-0.6 2,-0.4 -0.740 9.0-177.7-100.7 133.8 46.8 40.3 17.1 82 82 A K E -H 37 0C 62 -45,-1.8 -45,-2.0 -2,-0.4 2,-0.3 -0.981 12.5-149.6-129.4 142.6 49.0 39.7 14.1 83 83 A a E -H 36 0C 0 -2,-0.4 10,-1.3 -47,-0.2 2,-0.4 -0.701 11.9-149.9-102.1 165.2 49.4 36.7 11.9 84 84 A G E -HJ 35 92C 0 -49,-1.6 -49,-1.2 -2,-0.3 2,-0.5 -1.000 7.7-159.1-140.1 131.5 52.6 35.7 10.2 85 85 A A E -HJ 34 91C 1 6,-2.0 6,-0.6 -2,-0.4 2,-0.3 -0.970 19.2-176.9-109.2 126.8 53.3 33.8 6.9 86 86 A F 0 0 52 -53,-2.3 -54,-1.0 -2,-0.5 4,-0.1 -0.878 360.0 360.0-119.7 159.4 56.8 32.2 6.6 87 87 A R 0 0 174 2,-0.4 -57,-0.1 -2,-0.3 -1,-0.1 0.696 360.0 360.0 -86.0 360.0 58.5 30.3 3.8 88 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 89 99 A L 0 0 151 0, 0.0 -2,-0.4 0, 0.0 2,-0.1 0.000 360.0 360.0 360.0 99.2 61.6 36.0 6.7 90 100 A S - 0 0 55 -4,-0.1 2,-0.3 -3,-0.1 -4,-0.2 -0.325 360.0-168.4 -57.2 151.9 58.3 36.9 8.3 91 101 A E E -J 85 0C 35 -6,-0.6 -6,-2.0 -2,-0.1 2,-0.3 -0.830 18.7-162.3-141.4 134.2 55.7 38.9 6.6 92 102 A K E -J 84 0C 95 -2,-0.3 -89,-0.3 -8,-0.2 -8,-0.2 -0.848 19.0-120.1-123.1 140.2 52.9 40.1 9.0 93 103 A G - 0 0 3 -10,-1.3 -89,-0.1 -2,-0.3 3,-0.1 -0.203 37.7-109.9 -63.1 164.1 49.4 41.5 8.8 94 104 A A - 0 0 86 -91,-0.3 -1,-0.1 1,-0.2 -12,-0.1 0.481 63.8-120.0 -82.3 -0.7 48.8 44.9 10.3 95 105 A G - 0 0 2 -12,-0.1 2,-0.5 1,-0.1 -13,-0.2 0.036 9.3 -93.6 94.7 165.9 46.8 43.3 13.1 96 106 A T E - G 0 81B 0 -15,-1.7 -15,-2.1 -3,-0.1 2,-1.3 -0.989 25.1-144.6-124.1 119.1 43.4 43.3 14.7 97 107 A V E -eG 9 80B 70 -89,-1.4 -87,-1.1 -2,-0.5 2,-0.3 -0.716 26.2-166.0 -88.4 91.3 42.8 45.6 17.6 98 108 A L E -eG 10 79B 1 -19,-2.3 -19,-1.8 -2,-1.3 2,-0.4 -0.619 9.7-173.0 -84.5 137.9 40.5 43.4 19.7 99 109 A T - 0 0 62 -89,-1.8 2,-0.4 -2,-0.3 -87,-0.3 -0.996 7.2-159.9-135.4 122.6 38.6 45.0 22.6 100 110 A V 0 0 6 -2,-0.4 -87,-0.2 -25,-0.3 -22,-0.1 -0.910 360.0 360.0-118.5 131.9 36.6 42.8 25.0 101 111 A K 0 0 176 -89,-0.7 -2,-0.0 -2,-0.4 -27,-0.0 -0.416 360.0 360.0 58.6 360.0 33.7 43.8 27.3