==== 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 1VES . COMPND 2 MOLECULE: NEW ANTIGEN RECEPTOR VARIABLE DOMAIN; . SOURCE 2 ORGANISM_SCIENTIFIC: ORECTOLOBUS MACULATUS; . AUTHOR V.A.STRELTSOV . 226 2 2 2 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13185.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 153 67.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 10 4.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 90 39.8 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.9 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 1.3 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 . 30 13.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 13 5.8 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 . 2 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 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 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 . 2 2 2 0 4 4 0 2 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 0 2 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 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 47 0, 0.0 2,-0.3 0, 0.0 25,-0.2 0.000 360.0 360.0 360.0 152.1 -8.8 38.4 19.4 2 2 A W E -A 25 0A 104 23,-2.0 23,-3.4 101,-0.1 2,-0.5 -0.986 360.0-120.4-152.1 152.7 -5.9 39.6 21.6 3 3 A V E -A 24 0A 10 101,-0.5 2,-0.9 -2,-0.3 103,-0.5 -0.877 18.4-149.8 -98.5 125.8 -3.2 38.2 23.9 4 4 A D E -A 23 0A 15 19,-3.0 19,-1.5 -2,-0.5 2,-0.5 -0.839 20.9-173.2 -96.8 100.5 -3.2 39.5 27.4 5 5 A Q E -A 22 0A 7 -2,-0.9 17,-0.2 17,-0.2 101,-0.1 -0.886 11.6-136.9-108.1 120.2 0.4 39.3 28.6 6 6 A T E +A 21 0A 47 15,-2.7 15,-2.8 -2,-0.5 2,-0.1 -0.936 69.1 30.0-128.7 152.9 1.5 40.0 32.2 7 7 A P - 0 0 46 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 0.650 59.4-162.4 -80.0 163.0 3.4 41.4 33.7 8 8 A R S S+ 0 0 136 1,-0.2 101,-2.6 100,-0.2 2,-0.3 0.853 79.1 12.5 -73.2 -38.4 4.4 44.2 31.4 9 9 A T E -e 109 0B 106 99,-0.3 2,-0.3 71,-0.0 101,-0.2 -0.969 68.2-179.5-133.0 157.1 7.7 44.9 33.3 10 10 A A E -e 110 0B 13 99,-2.3 101,-2.3 -2,-0.3 2,-0.4 -0.979 14.8-159.2-154.0 145.7 9.6 43.0 35.9 11 11 A T E +e 111 0B 112 -2,-0.3 2,-0.3 99,-0.2 101,-0.2 -0.999 23.2 170.3-122.4 127.6 12.8 43.5 38.0 12 12 A K E -e 112 0B 63 99,-2.7 101,-2.1 -2,-0.4 2,-0.2 -0.898 30.3-123.1-132.1 157.8 14.4 40.4 39.5 13 13 A E > - 0 0 127 -2,-0.3 3,-1.6 99,-0.2 60,-0.2 -0.649 49.0 -84.0 -90.9 160.2 17.7 39.6 41.2 14 14 A T T 3 S+ 0 0 62 99,-1.9 60,-0.2 -2,-0.2 -1,-0.1 -0.365 118.0 31.5 -61.4 142.9 19.9 36.9 39.8 15 15 A G T 3 S+ 0 0 47 58,-2.9 57,-0.6 1,-0.3 -1,-0.2 0.177 97.7 108.4 92.3 -18.1 18.9 33.4 41.0 16 16 A E < - 0 0 82 -3,-1.6 57,-2.6 57,-0.2 -1,-0.3 -0.198 64.9-118.9 -80.7 178.7 15.2 34.3 41.2 17 17 A S - 0 0 29 54,-0.2 2,-0.4 55,-0.2 54,-0.2 -0.895 13.5-153.5-117.6 151.6 12.3 33.2 38.8 18 18 A L E - B 0 70A 4 52,-2.2 52,-2.8 -2,-0.3 2,-0.5 -0.991 3.8-162.2-119.0 133.5 10.0 35.0 36.5 19 19 A T E - B 0 69A 57 -2,-0.4 2,-0.5 50,-0.2 50,-0.2 -0.967 5.4-166.9-109.8 126.9 6.5 33.8 35.5 20 20 A I E - B 0 68A 0 48,-2.9 48,-2.2 -2,-0.5 2,-0.4 -0.974 8.4-157.2-110.2 129.0 5.0 35.4 32.5 21 21 A N E -AB 6 67A 69 -15,-2.8 -15,-2.7 -2,-0.5 2,-0.4 -0.914 9.1-173.4-110.8 132.9 1.3 34.7 32.0 22 22 A a E -AB 5 66A 0 44,-2.4 44,-2.4 -2,-0.4 2,-0.4 -0.971 2.5-174.0-123.0 137.0 -0.6 34.9 28.7 23 23 A V E -AB 4 65A 47 -19,-1.5 -19,-3.0 -2,-0.4 2,-0.7 -0.994 23.2-134.9-130.7 125.1 -4.3 34.6 28.1 24 24 A L E -A 3 0A 4 40,-3.0 3,-0.3 -2,-0.4 2,-0.3 -0.724 32.3-160.5 -76.0 113.4 -5.8 34.5 24.6 25 25 A R E +A 2 0A 45 -23,-3.4 -23,-2.0 -2,-0.7 39,-0.0 -0.749 59.0 2.4-102.2 143.2 -8.9 36.9 24.9 26 26 A D S S- 0 0 128 -2,-0.3 -1,-0.2 -25,-0.2 2,-0.1 0.934 86.8-164.5 53.9 52.2 -12.0 37.1 22.7 27 27 A A - 0 0 35 -3,-0.3 -1,-0.1 1,-0.1 3,-0.1 -0.374 31.0-178.9 -74.5 143.0 -10.8 34.2 20.6 28 28 A S S S+ 0 0 97 1,-0.1 2,-0.2 -2,-0.1 -1,-0.1 0.733 74.4 41.9 -98.5 -43.6 -12.3 33.4 17.1 29 29 A F S S- 0 0 105 1,-0.0 2,-0.3 58,-0.0 -1,-0.1 -0.665 93.4 -96.7-109.5 160.3 -10.1 30.3 16.5 30 30 A E - 0 0 142 -2,-0.2 58,-0.4 58,-0.2 2,-0.2 -0.586 39.3-112.7 -81.0 131.5 -9.1 27.4 18.7 31 31 A L + 0 0 12 -2,-0.3 56,-0.2 30,-0.2 3,-0.1 -0.452 44.4 164.1 -63.6 124.1 -5.7 27.7 20.3 32 32 A K - 0 0 91 54,-2.6 2,-0.3 1,-0.4 55,-0.2 0.789 58.6 -2.8-108.7 -48.7 -3.5 24.9 18.8 33 33 A D E -F 86 0B 82 53,-1.2 53,-2.0 2,-0.0 -1,-0.4 -0.856 59.7-145.8-141.1 170.4 0.2 25.7 19.7 34 34 A T E -F 85 0B 16 -2,-0.3 2,-0.3 51,-0.2 51,-0.2 -0.976 7.5-162.8-141.0 154.8 2.2 28.5 21.5 35 35 A G E -F 84 0B 12 49,-2.2 49,-2.4 -2,-0.3 2,-0.4 -0.956 7.0-150.6-140.2 156.4 5.5 30.1 21.1 36 36 A W E -F 83 0B 2 13,-0.4 13,-2.5 -2,-0.3 2,-0.3 -0.988 16.7-178.6-130.7 135.0 7.9 32.3 23.2 37 37 A Y E -FG 82 48B 26 45,-2.9 45,-2.8 -2,-0.4 2,-0.3 -0.944 4.4-170.4-134.9 153.0 10.3 34.8 21.9 38 38 A R E -FG 81 47B 24 9,-2.5 9,-2.8 -2,-0.3 2,-0.6 -0.996 20.4-156.1-145.4 139.2 12.9 37.2 23.4 39 39 A T E -F 80 0B 38 41,-2.2 41,-2.2 -2,-0.3 7,-0.2 -0.961 35.8-145.5-105.1 109.6 15.1 40.0 22.3 40 40 A K E > -F 79 0B 51 -2,-0.6 3,-2.0 5,-0.5 39,-0.3 -0.327 26.7 -82.0 -77.3 155.5 17.9 39.9 24.9 41 41 A L T 3 S+ 0 0 120 37,-2.2 -1,-0.1 35,-0.3 3,-0.1 -0.262 117.8 23.7 -50.1 137.9 19.8 42.9 26.3 42 42 A G T 3 S+ 0 0 79 1,-0.2 2,-0.3 -3,-0.1 -1,-0.2 0.239 109.8 91.1 86.7 -9.8 22.5 44.1 23.9 43 43 A S < - 0 0 44 -3,-2.0 -1,-0.2 1,-0.1 -4,-0.0 -0.903 55.7-161.4-125.8 147.3 20.9 42.6 20.9 44 44 A T + 0 0 143 -2,-0.3 2,-0.5 -3,-0.1 -1,-0.1 0.470 68.2 98.7 -96.3 -7.3 18.4 43.7 18.2 45 45 A N - 0 0 114 -5,-0.1 -5,-0.5 1,-0.0 2,-0.4 -0.752 64.1-145.5 -93.0 119.6 17.5 40.1 17.1 46 46 A E - 0 0 67 -2,-0.5 2,-0.3 -7,-0.2 -7,-0.3 -0.671 27.0-174.0 -75.8 130.6 14.3 38.5 18.4 47 47 A Q E -G 38 0B 79 -9,-2.8 -9,-2.5 -2,-0.4 2,-0.1 -0.929 25.7-103.9-130.7 153.0 14.8 34.8 18.8 48 48 A S E -G 37 0B 81 -2,-0.3 2,-0.5 -11,-0.2 -11,-0.2 -0.440 28.4-134.9 -66.9 145.3 12.8 31.7 19.7 49 49 A I - 0 0 13 -13,-2.5 2,-0.5 -2,-0.1 -13,-0.4 -0.915 14.7-137.1-101.9 123.5 13.0 30.2 23.2 50 50 A S - 0 0 100 -2,-0.5 2,-0.3 -15,-0.1 5,-0.2 -0.732 22.5-124.6 -79.6 123.1 13.3 26.4 23.3 51 51 A I + 0 0 81 -2,-0.5 2,-0.2 3,-0.1 5,-0.2 -0.567 68.5 79.7 -72.3 127.1 11.0 25.0 26.1 52 52 A G B > S+C 55 0A 43 3,-2.2 3,-1.9 -2,-0.3 2,-0.4 -0.657 75.9 16.7 148.2 154.6 13.1 22.9 28.5 53 53 A G T 3 S+ 0 0 74 1,-0.3 18,-0.1 -2,-0.2 -2,-0.0 -0.433 132.3 6.8 67.8-115.0 15.4 23.2 31.5 54 54 A R T 3 S+ 0 0 39 -2,-0.4 17,-1.9 1,-0.1 2,-0.7 0.709 125.0 74.7 -69.0 -22.3 15.3 26.7 33.1 55 55 A Y E < +CD 52 70A 36 -3,-1.9 -3,-2.2 -5,-0.2 2,-0.5 -0.854 63.4 176.6-101.8 106.6 12.3 27.4 30.7 56 56 A V E - D 0 69A 74 13,-2.3 13,-2.7 -2,-0.7 2,-0.4 -0.947 9.0-164.3-117.7 116.0 9.1 25.7 31.8 57 57 A E E - D 0 68A 50 -2,-0.5 2,-0.4 11,-0.2 11,-0.2 -0.871 4.7-167.6-101.7 138.1 5.8 26.2 29.9 58 58 A T E - D 0 67A 75 9,-2.2 9,-2.2 -2,-0.4 2,-0.5 -0.991 7.7-171.0-121.3 124.6 2.4 25.4 31.2 59 59 A V E - D 0 66A 58 -2,-0.4 2,-0.5 7,-0.2 7,-0.2 -0.965 13.3-176.4-121.1 126.0 -0.5 25.4 28.7 60 60 A N E > - D 0 65A 90 5,-3.1 5,-2.0 -2,-0.5 3,-0.5 -0.915 5.8-172.3-117.0 98.9 -4.2 25.1 29.7 61 61 A K T > 5S+ 0 0 140 -2,-0.5 3,-0.9 1,-0.2 -30,-0.2 0.840 80.3 59.2 -66.5 -33.1 -6.1 25.1 26.4 62 62 A G T 3 5S+ 0 0 72 1,-0.3 -1,-0.2 2,-0.1 -31,-0.0 0.858 113.2 36.5 -66.0 -37.7 -9.5 25.3 28.0 63 63 A S T 3 5S- 0 0 65 -3,-0.5 -1,-0.3 2,-0.1 -2,-0.2 0.326 109.3-123.3 -93.7 5.5 -8.8 28.5 29.8 64 64 A K T < 5 + 0 0 87 -3,-0.9 -40,-3.0 -4,-0.4 2,-0.4 0.782 65.3 141.8 55.7 33.9 -6.8 29.8 26.8 65 65 A S E < +BD 23 60A 26 -5,-2.0 -5,-3.1 -42,-0.2 2,-0.3 -0.844 28.0 172.3-112.6 142.2 -3.8 30.3 29.1 66 66 A F E -BD 22 59A 0 -44,-2.4 -44,-2.4 -2,-0.4 2,-0.3 -0.973 9.0-175.0-150.4 131.9 -0.1 29.7 28.6 67 67 A S E -BD 21 58A 23 -9,-2.2 -9,-2.2 -2,-0.3 2,-0.5 -0.945 14.9-152.8-131.4 145.8 2.7 30.6 31.0 68 68 A L E -BD 20 57A 0 -48,-2.2 -48,-2.9 -2,-0.3 2,-0.5 -0.988 8.3-165.6-119.5 127.8 6.5 30.5 30.9 69 69 A R E -BD 19 56A 123 -13,-2.7 -13,-2.3 -2,-0.5 2,-0.6 -0.977 4.3-164.0-111.8 122.8 8.4 30.3 34.2 70 70 A I E -BD 18 55A 0 -52,-2.8 -52,-2.2 -2,-0.5 3,-0.2 -0.940 11.7-162.6-108.3 117.1 12.1 31.1 33.9 71 71 A S + 0 0 31 -17,-1.9 -54,-0.2 -2,-0.6 -55,-0.1 -0.542 61.4 20.4 -96.2 161.7 14.1 29.8 36.9 72 72 A D S S- 0 0 91 -57,-0.6 -1,-0.2 -2,-0.2 -55,-0.2 0.909 83.7-154.9 50.8 59.5 17.6 30.8 38.1 73 73 A L - 0 0 1 -57,-2.6 -58,-2.9 -60,-0.2 2,-0.3 -0.299 13.0-166.1 -71.3 147.2 17.7 34.1 36.2 74 74 A R > - 0 0 94 -60,-0.2 3,-1.5 -59,-0.1 4,-0.3 -0.839 37.3-103.2-124.4 168.0 21.0 35.7 35.2 75 75 A V G > S+ 0 0 63 -2,-0.3 3,-1.3 1,-0.3 37,-0.4 0.788 118.3 62.4 -68.2 -25.3 21.5 39.3 34.0 76 76 A E G 3 S+ 0 0 107 1,-0.3 -35,-0.3 -36,-0.1 -1,-0.3 0.707 91.5 67.8 -71.8 -19.3 21.9 38.2 30.3 77 77 A D G < S+ 0 0 1 -3,-1.5 -1,-0.3 -37,-0.1 -2,-0.2 0.600 76.0 110.8 -67.8 -16.8 18.2 36.9 30.5 78 78 A S < + 0 0 17 -3,-1.3 -37,-2.2 -4,-0.3 2,-0.3 -0.299 47.6 87.0 -58.6 147.5 17.2 40.5 30.8 79 79 A G E S-FH 40 110B 13 31,-2.1 31,-2.9 -39,-0.3 2,-0.5 -0.938 82.6 -51.4 149.5-171.5 15.3 41.7 27.7 80 80 A T E -FH 39 109B 58 -41,-2.2 -41,-2.2 -2,-0.3 2,-0.4 -0.908 47.1-163.0-106.0 128.0 11.8 41.7 26.2 81 81 A Y E -FH 38 108B 1 27,-2.4 27,-1.9 -2,-0.5 2,-0.4 -0.877 7.3-176.4-110.9 138.2 9.8 38.5 26.1 82 82 A K E -F 37 0B 68 -45,-2.8 -45,-2.9 -2,-0.4 2,-0.3 -0.999 11.8-151.4-135.1 138.1 6.7 37.9 24.0 83 83 A a E -F 36 0B 0 -2,-0.4 22,-2.8 -47,-0.2 2,-0.3 -0.725 13.5-158.2-100.6 161.8 4.3 34.9 23.8 84 84 A Q E -FI 35 104B 14 -49,-2.4 -49,-2.2 -2,-0.3 2,-0.3 -0.999 9.8-141.4-146.7 135.3 2.4 33.9 20.6 85 85 A A E -F 34 0B 0 18,-2.7 17,-2.7 -2,-0.3 2,-0.3 -0.655 17.4-160.0 -88.5 150.0 -0.8 31.9 19.9 86 86 A F E -FI 33 101B 19 -53,-2.0 -54,-2.6 -2,-0.3 -53,-1.2 -0.978 8.6-175.5-130.3 147.2 -0.9 29.7 16.8 87 87 A Y E - 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