==== 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 23-APR-07 2YWY . COMPND 2 MOLECULE: NEW ANTIGEN RECEPTOR VARIABLE DOMAIN; . SOURCE 2 ORGANISM_SCIENTIFIC: ORECTOLOBUS MACULATUS; . AUTHOR V.A.STRELTSOV . 432 6 4 4 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 20696.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 295 68.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 24 5.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 181 41.9 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 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 . 6 1.4 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 . 1 0.2 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 . 51 11.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 21 4.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 3 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 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 0 4 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 . 5 3 9 0 4 8 0 0 2 2 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 4 2 0 0 0 0 0 1 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 6 0, 0.0 2,-0.3 0, 0.0 25,-0.2 0.000 360.0 360.0 360.0-178.0 31.0 13.6 8.7 2 2 A W E -A 25 0A 111 23,-1.6 23,-3.6 99,-0.1 2,-0.4 -0.968 360.0-116.8-165.2 162.6 31.9 9.9 8.3 3 3 A V E -A 24 0A 11 99,-0.6 2,-0.7 -2,-0.3 101,-0.3 -0.890 12.3-144.9-112.7 142.2 34.8 7.6 7.4 4 4 A D E -A 23 0A 79 19,-2.8 19,-0.7 -2,-0.4 2,-0.3 -0.873 21.4-169.3-102.0 98.8 35.0 5.1 4.5 5 5 A Q E -A 22 0A 12 -2,-0.7 17,-0.2 17,-0.2 3,-0.1 -0.668 12.2-134.3 -91.6 146.6 37.0 2.0 5.5 6 6 A T E S+A 21 0A 76 15,-1.9 15,-2.9 -2,-0.3 2,-0.1 -0.980 73.5 27.6-150.9 134.5 38.1 -0.6 3.0 7 7 A P - 0 0 35 0, 0.0 -1,-0.2 0, 0.0 3,-0.1 0.617 59.1-163.8 -83.6 162.5 38.1 -3.6 2.9 8 8 A R S S+ 0 0 149 1,-0.3 99,-2.3 98,-0.2 2,-0.3 0.858 80.1 0.4 -79.4 -35.6 35.1 -4.6 5.0 9 9 A S E S+e 107 0B 87 97,-0.2 2,-0.3 71,-0.0 -1,-0.3 -0.979 71.5 170.0-149.9 156.1 36.3 -8.2 5.3 10 10 A V E -e 108 0B 32 97,-1.8 99,-2.5 -2,-0.3 2,-0.4 -0.986 22.5-142.9-165.9 144.3 39.3 -10.0 4.0 11 11 A T E +e 109 0B 86 -2,-0.3 2,-0.3 97,-0.2 99,-0.2 -0.932 26.7 173.0-119.3 139.8 41.1 -13.3 4.3 12 12 A K E -e 110 0B 48 97,-2.1 99,-1.6 -2,-0.4 2,-0.3 -0.947 25.0-117.9-148.9 160.2 44.9 -13.5 4.2 13 13 A E E > -e 111 0B 93 -2,-0.3 3,-1.8 97,-0.2 60,-0.2 -0.741 42.7 -83.6-109.1 153.9 47.7 -16.0 4.7 14 14 A T T 3 S+ 0 0 66 97,-1.6 60,-0.2 -2,-0.3 -1,-0.1 -0.212 115.3 24.6 -51.8 135.4 50.5 -16.1 7.2 15 15 A G T 3 S+ 0 0 51 58,-1.9 57,-0.3 1,-0.3 -1,-0.3 0.487 100.4 114.8 89.2 5.0 53.5 -13.9 6.2 16 16 A E < - 0 0 80 -3,-1.8 57,-3.6 55,-0.1 2,-0.4 -0.299 61.4-112.8 -93.9-178.2 51.4 -11.7 4.0 17 17 A S - 0 0 48 55,-0.2 2,-0.4 54,-0.2 54,-0.2 -0.943 16.4-155.6-120.1 140.1 50.5 -7.9 4.2 18 18 A L E - B 0 70A 5 52,-1.4 52,-2.6 -2,-0.4 2,-0.4 -0.920 4.6-170.1-111.5 145.6 47.2 -6.1 4.8 19 19 A T E - B 0 69A 61 -2,-0.4 2,-0.6 50,-0.2 50,-0.2 -0.985 3.0-168.2-131.3 115.5 46.4 -2.6 3.8 20 20 A I E - B 0 68A 0 48,-2.2 48,-2.5 -2,-0.4 2,-0.3 -0.944 13.1-152.1 -99.7 121.9 43.2 -1.0 5.1 21 21 A N E -AB 6 67A 83 -15,-2.9 -15,-1.9 -2,-0.6 2,-0.3 -0.701 13.5-174.6 -88.7 147.1 42.3 2.2 3.3 22 22 A a E -AB 5 66A 5 44,-2.2 44,-2.8 -2,-0.3 2,-0.4 -0.999 7.7-174.6-140.5 145.1 40.3 5.0 5.0 23 23 A A E -AB 4 65A 18 -19,-0.7 -19,-2.8 -2,-0.3 2,-0.6 -0.999 20.6-137.3-139.3 133.6 38.9 8.4 3.8 24 24 A L E -A 3 0A 5 40,-3.4 2,-0.4 -2,-0.4 3,-0.3 -0.812 29.7-164.6 -93.1 123.2 37.2 11.1 5.8 25 25 A K E +A 2 0A 84 -23,-3.6 -23,-1.6 -2,-0.6 39,-0.0 -0.852 55.1 5.2-116.0 147.2 34.1 12.4 4.0 26 26 A N S S+ 0 0 127 -2,-0.4 2,-0.5 1,-0.2 -1,-0.2 0.833 81.7 149.0 61.2 36.0 31.8 15.4 4.3 27 27 A A - 0 0 15 -3,-0.3 -1,-0.2 1,-0.1 4,-0.1 -0.915 39.2-157.4-105.6 125.4 34.0 17.0 7.0 28 28 A A S S+ 0 0 97 -2,-0.5 2,-0.2 59,-0.1 -1,-0.1 0.818 72.6 51.3 -67.6 -35.7 34.2 20.8 7.2 29 29 A D S S- 0 0 59 1,-0.1 60,-0.2 58,-0.0 -2,-0.1 -0.530 94.5 -77.3-109.7 173.5 37.6 21.1 9.0 30 30 A D E -F 88 0B 57 58,-0.8 58,-1.3 -2,-0.2 2,-0.4 -0.265 45.0-104.3 -71.2 151.3 41.1 19.7 8.5 31 31 A L E +F 87 0B 4 30,-0.4 56,-0.2 56,-0.2 134,-0.1 -0.634 46.6 168.7 -70.4 128.4 42.1 16.2 9.4 32 32 A E E + 0 0 9 54,-3.0 116,-0.4 -2,-0.4 2,-0.4 0.704 53.6 14.9-119.4 -35.0 44.1 16.6 12.6 33 33 A R E -F 86 0B 40 53,-1.5 53,-2.8 114,-0.1 2,-0.4 -0.996 56.5-158.4-147.5 137.6 44.8 13.1 14.2 34 34 A T E -F 85 0B 8 112,-0.5 2,-0.3 -2,-0.4 51,-0.2 -0.946 12.6-179.6-115.7 144.3 44.5 9.6 13.0 35 35 A D E -F 84 0B 5 49,-3.1 49,-3.3 -2,-0.4 2,-0.4 -0.944 13.9-152.6-133.0 156.7 44.2 6.4 15.1 36 36 A W E -F 83 0B 2 13,-0.4 13,-3.4 -2,-0.3 2,-0.3 -0.998 13.8-171.4-130.8 131.7 44.0 2.7 14.5 37 37 A Y E -FG 82 48B 4 45,-3.0 45,-1.8 -2,-0.4 2,-0.3 -0.806 3.1-172.0-121.6 160.7 42.2 0.2 16.7 38 38 A R E -FG 81 47B 37 9,-2.0 9,-2.5 -2,-0.3 2,-0.5 -0.976 13.9-164.7-153.4 128.7 42.1 -3.6 16.8 39 39 A T E -F 80 0B 19 41,-2.0 41,-1.8 -2,-0.3 7,-0.1 -0.949 26.3-143.2-115.3 111.1 40.1 -6.1 18.8 40 40 A T E > -F 79 0B 34 -2,-0.5 3,-2.4 5,-0.3 39,-0.3 -0.336 33.5 -85.8 -71.2 151.9 41.7 -9.5 18.4 41 41 A L T 3 S+ 0 0 144 37,-2.4 -1,-0.1 1,-0.3 3,-0.1 -0.378 121.5 25.1 -55.9 134.4 39.5 -12.6 18.1 42 42 A G T 3 S+ 0 0 85 1,-0.3 -1,-0.3 -3,-0.1 2,-0.2 0.031 100.3 115.0 91.3 -23.9 38.8 -13.7 21.7 43 43 A S < - 0 0 39 -3,-2.4 -1,-0.3 1,-0.1 -4,-0.0 -0.577 53.0-160.1 -84.3 142.4 39.3 -10.2 23.0 44 44 A T S S+ 0 0 121 -2,-0.2 2,-0.4 -3,-0.1 267,-0.2 0.368 70.4 65.0 -91.6 0.3 36.5 -8.1 24.6 45 45 A N S S- 0 0 72 -5,-0.2 2,-0.4 265,-0.1 -5,-0.3 -0.982 74.9-123.2-141.8 138.1 38.2 -4.8 24.1 46 46 A E - 0 0 6 -2,-0.4 2,-0.3 -7,-0.1 -7,-0.2 -0.578 31.9-168.3 -69.2 118.7 39.5 -2.4 21.4 47 47 A Q E -G 38 0B 67 -9,-2.5 -9,-2.0 -2,-0.4 2,-0.4 -0.817 22.4-114.5-108.5 154.7 43.2 -1.7 21.9 48 48 A K E -G 37 0B 34 -2,-0.3 2,-0.4 -11,-0.2 -11,-0.2 -0.768 24.2-126.5 -92.4 134.4 45.1 1.1 20.0 49 49 A I - 0 0 2 -13,-3.4 2,-0.9 -2,-0.4 -13,-0.4 -0.629 14.8-140.9 -78.1 124.3 47.7 0.2 17.5 50 50 A S - 0 0 59 -2,-0.4 5,-0.2 -15,-0.1 -1,-0.0 -0.793 23.1-131.3 -87.6 107.3 51.0 1.9 18.1 51 51 A I + 0 0 25 -2,-0.9 2,-0.2 94,-0.1 5,-0.2 -0.258 64.8 73.1 -59.6 143.2 52.4 2.9 14.7 52 52 A G B > S+C 55 0A 19 3,-2.4 3,-2.1 1,-0.1 2,-0.1 -0.559 79.1 29.1 128.4 160.2 56.0 1.9 14.0 53 53 A G T 3 S+ 0 0 77 1,-0.3 -1,-0.1 -2,-0.2 18,-0.1 -0.340 132.9 4.0 61.4-126.6 57.8 -1.4 13.3 54 54 A R T 3 S+ 0 0 41 -2,-0.1 17,-2.5 16,-0.1 2,-0.5 0.506 125.1 74.3 -68.9 -6.2 55.5 -3.8 11.5 55 55 A Y E < +CD 52 70A 36 -3,-2.1 -3,-2.4 15,-0.2 2,-0.4 -0.950 60.9 179.2-113.8 125.7 52.7 -1.1 11.4 56 56 A V E - D 0 69A 39 13,-2.3 13,-2.5 -2,-0.5 2,-0.3 -0.963 9.3-161.8-136.0 120.7 53.0 1.7 8.9 57 57 A E E - D 0 68A 19 -2,-0.4 2,-0.5 11,-0.2 11,-0.2 -0.770 2.2-163.9-103.8 144.9 50.5 4.6 8.3 58 58 A T E - D 0 67A 78 9,-2.0 9,-2.1 -2,-0.3 2,-0.4 -0.995 13.9-168.2-129.1 121.4 50.4 6.8 5.3 59 59 A V E - D 0 66A 44 -2,-0.5 2,-0.4 7,-0.2 7,-0.2 -0.927 20.8-175.1-121.2 137.1 48.4 10.0 5.6 60 60 A N E >> + D 0 65A 84 5,-2.9 5,-1.8 -2,-0.4 4,-0.8 -0.794 7.5 175.7-123.5 86.1 47.2 12.5 3.1 61 61 A K T >45S+ 0 0 30 -2,-0.4 3,-1.1 1,-0.2 -30,-0.4 0.911 77.2 64.6 -59.6 -41.2 45.6 15.3 5.2 62 62 A G T 345S+ 0 0 40 1,-0.3 -1,-0.2 107,-0.1 108,-0.0 0.910 117.1 26.0 -44.9 -54.1 45.1 17.3 1.9 63 63 A S T 345S- 0 0 68 -3,-0.3 -1,-0.3 2,-0.2 -2,-0.2 0.357 108.6-125.2 -95.8 9.3 42.6 14.7 0.6 64 64 A K T <<5 + 0 0 40 -3,-1.1 -40,-3.4 -4,-0.8 2,-0.3 0.841 69.0 122.2 53.3 40.8 41.7 13.5 4.1 65 65 A S E < +BD 23 60A 37 -5,-1.8 -5,-2.9 -42,-0.3 2,-0.3 -0.928 31.3 167.2-130.3 157.5 42.5 9.9 3.4 66 66 A F E -BD 22 59A 5 -44,-2.8 -44,-2.2 -2,-0.3 2,-0.3 -0.967 13.5-154.9-165.9 159.1 45.0 7.6 5.1 67 67 A S E -BD 21 58A 21 -9,-2.1 -9,-2.0 -2,-0.3 2,-0.5 -0.960 10.3-137.2-144.4 153.1 45.8 3.9 5.2 68 68 A L E -BD 20 57A 0 -48,-2.5 -48,-2.2 -2,-0.3 2,-0.4 -0.974 13.6-165.0-115.1 129.1 47.4 1.3 7.5 69 69 A R E -BD 19 56A 78 -13,-2.5 -13,-2.3 -2,-0.5 2,-0.5 -0.910 3.9-162.0-106.0 139.5 49.8 -1.4 6.2 70 70 A I E -BD 18 55A 0 -52,-2.6 -52,-1.4 -2,-0.4 3,-0.3 -0.949 9.4-150.4-125.9 111.3 50.6 -4.5 8.4 71 71 A R S S+ 0 0 125 -17,-2.5 -54,-0.2 -2,-0.5 -55,-0.1 -0.455 70.1 14.7 -81.9 150.7 53.7 -6.5 7.6 72 72 A D S S- 0 0 103 -57,-0.3 -1,-0.2 -2,-0.1 -55,-0.2 0.959 81.5-148.4 55.6 64.6 54.1 -10.3 8.3 73 73 A L + 0 0 3 -57,-3.6 -58,-1.9 -3,-0.3 2,-0.3 -0.064 25.2 174.6 -58.7 167.2 50.5 -11.2 9.0 74 74 A R > - 0 0 82 -60,-0.2 3,-0.9 1,-0.2 4,-0.1 -0.973 43.5 -83.9-164.3 174.5 49.9 -14.0 11.5 75 75 A V G > S+ 0 0 96 -2,-0.3 3,-1.9 1,-0.2 35,-0.2 0.975 121.6 47.8 -48.4 -72.7 47.6 -16.2 13.6 76 76 A E G 3 S+ 0 0 134 1,-0.3 -1,-0.2 -3,-0.1 -35,-0.1 0.532 97.1 78.1 -51.8 -13.4 47.2 -13.9 16.5 77 77 A D G < + 0 0 7 -3,-0.9 -1,-0.3 -37,-0.1 2,-0.2 0.423 64.7 115.1 -81.1 -4.6 46.5 -11.0 14.1 78 78 A S < + 0 0 13 -3,-1.9 -37,-2.4 -4,-0.1 2,-0.3 -0.502 45.4 75.4 -73.3 135.5 42.9 -11.9 13.3 79 79 A G E S-FH 40 108B 4 29,-1.3 29,-3.1 -39,-0.3 2,-0.5 -0.983 80.4 -43.4 160.5-161.4 40.2 -9.5 14.4 80 80 A T E -FH 39 107B 50 -41,-1.8 -41,-2.0 -2,-0.3 2,-0.5 -0.878 42.4-163.6-107.3 122.9 38.5 -6.2 13.7 81 81 A Y E -FH 38 106B 0 25,-2.0 25,-2.1 -2,-0.5 2,-0.4 -0.903 7.4-176.4-103.9 130.3 40.4 -3.1 12.7 82 82 A K E -F 37 0B 35 -45,-1.8 -45,-3.0 -2,-0.5 2,-0.2 -0.996 15.1-145.3-127.5 130.5 38.9 0.4 12.9 83 83 A a E -F 36 0B 0 -2,-0.4 20,-2.0 -47,-0.2 2,-0.4 -0.629 11.5-150.3 -85.7 147.4 40.5 3.6 11.9 84 84 A G E -FI 35 102B 0 -49,-3.3 -49,-3.1 -2,-0.2 2,-0.5 -0.994 9.4-168.8-121.5 131.0 39.8 6.8 13.8 85 85 A A E -FI 34 101B 0 16,-2.4 16,-1.8 -2,-0.4 2,-0.3 -0.977 4.0-167.2-122.0 117.3 39.9 10.2 12.1 86 86 A Y E -FI 33 100B 1 -53,-2.8 -54,-3.0 -2,-0.5 -53,-1.5 -0.860 8.6-176.3-110.9 139.9 39.7 13.5 14.2 87 87 A F E +F 31 0B 10 12,-2.3 2,-0.3 -2,-0.3 -56,-0.2 -0.980 12.3 134.5-140.4 141.3 39.1 17.0 12.8 88 88 A S E -F 30 0B 2 -58,-1.3 -58,-0.8 -2,-0.4 10,-0.0 -0.964 40.8-107.4-161.3-176.2 38.9 20.6 13.8 89 89 A D - 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