==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=13-FEB-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER NEUROPEPTIDE, IMMUNE SYSTEM 23-APR-10 3MOQ . COMPND 2 MOLECULE: NEW ANTIGEN RECEPTOR VARIABLE DOMAIN, P3(40) PEPT . SOURCE 2 ORGANISM_SCIENTIFIC: ORECTOLOBUS MACULATUS, HOMO SAPIENS, . AUTHOR V.A.STRELTSOV . 504 4 4 4 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 25200.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 363 72.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 24 4.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 221 43.8 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 5 1.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 4 0.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 0.8 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-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 . 66 13.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 33 6.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 4 0.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 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 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 . 4 3 7 0 8 8 4 4 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 4 0 0 0 0 0 0 0 0 2 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 55 0, 0.0 2,-0.3 0, 0.0 25,-0.2 0.000 360.0 360.0 360.0 147.2 62.4 7.7 -8.9 2 2 A W E -A 25 0A 111 23,-1.9 23,-3.1 112,-0.1 2,-0.5 -0.940 360.0-120.6-156.6 156.4 62.8 8.3 -12.7 3 3 A V E -A 24 0A 8 112,-0.4 2,-0.8 -2,-0.3 114,-0.4 -0.883 19.3-151.8-102.3 125.5 64.6 6.6 -15.6 4 4 A D E -A 23 0A 36 19,-2.9 19,-1.6 -2,-0.5 2,-0.5 -0.857 16.8-173.2-102.1 105.6 67.2 8.8 -17.4 5 5 A Q E -A 22 0A 1 -2,-0.8 17,-0.2 17,-0.2 112,-0.1 -0.875 13.4-136.6-106.6 125.6 67.5 7.6 -21.0 6 6 A T E S+A 21 0A 68 15,-2.7 15,-3.4 -2,-0.5 2,-0.1 -0.968 71.3 33.7-137.0 150.2 70.1 9.0 -23.4 7 7 A P - 0 0 47 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 0.622 60.2-165.5 -79.2 154.4 70.5 9.9 -26.1 8 8 A R S S+ 0 0 151 1,-0.2 112,-2.7 111,-0.2 2,-0.3 0.824 79.1 18.7 -71.9 -33.1 67.1 11.4 -26.6 9 9 A T E +e 120 0B 102 110,-0.3 2,-0.3 71,-0.0 112,-0.2 -0.978 70.0 179.8-135.1 150.2 67.7 11.6 -30.4 10 10 A A E -e 121 0B 12 110,-2.6 112,-2.8 -2,-0.3 2,-0.4 -0.985 14.5-164.2-150.4 142.9 70.1 9.9 -32.7 11 11 A T E +e 122 0B 93 -2,-0.3 2,-0.3 110,-0.2 112,-0.2 -0.997 21.2 174.0-125.0 128.6 71.0 9.8 -36.4 12 12 A K E -e 123 0B 70 110,-2.7 112,-2.6 -2,-0.4 2,-0.2 -0.935 30.1-116.1-132.7 152.6 73.1 6.9 -37.8 13 13 A E E > -e 124 0B 90 -2,-0.3 3,-1.8 110,-0.2 60,-0.2 -0.567 48.6 -87.4 -81.3 150.9 74.3 5.7 -41.1 14 14 A T T 3 S+ 0 0 49 110,-0.7 60,-0.2 111,-0.3 -1,-0.1 -0.373 117.0 28.7 -50.7 132.6 73.1 2.3 -42.4 15 15 A G T 3 S+ 0 0 39 58,-3.1 57,-0.6 1,-0.3 -1,-0.2 0.083 100.2 104.8 101.9 -22.0 75.5 -0.3 -41.1 16 16 A E < - 0 0 112 -3,-1.8 57,-3.0 56,-0.2 -1,-0.3 -0.079 64.7-116.6 -84.0-175.5 76.5 1.5 -38.0 17 17 A S - 0 0 22 55,-0.2 2,-0.4 54,-0.2 54,-0.2 -0.822 11.8-148.3-125.3 162.5 75.5 0.9 -34.4 18 18 A L E - B 0 70A 3 52,-2.2 52,-3.0 -2,-0.3 2,-0.5 -0.999 3.7-162.5-131.0 131.0 73.5 2.7 -31.6 19 19 A T E - B 0 69A 53 -2,-0.4 2,-0.4 50,-0.2 50,-0.2 -0.959 7.0-167.2-108.6 131.7 74.0 2.4 -27.9 20 20 A I E - B 0 68A 0 48,-2.8 48,-2.0 -2,-0.5 2,-0.4 -0.984 7.8-157.3-113.0 130.2 71.2 3.7 -25.6 21 21 A N E -AB 6 67A 78 -15,-3.4 -15,-2.7 -2,-0.4 2,-0.4 -0.907 10.4-177.4-111.0 137.5 71.9 4.2 -21.9 22 22 A a E -AB 5 66A 1 44,-2.9 44,-2.8 -2,-0.4 2,-0.4 -0.993 3.7-174.7-130.3 134.2 69.4 4.2 -19.1 23 23 A V E -AB 4 65A 31 -19,-1.6 -19,-2.9 -2,-0.4 2,-0.9 -0.998 25.8-132.1-128.1 135.5 69.9 4.7 -15.4 24 24 A L E -A 3 0A 6 40,-2.8 3,-0.4 -2,-0.4 2,-0.2 -0.757 38.7-166.4 -80.7 106.3 67.3 4.4 -12.6 25 25 A R E +A 2 0A 103 -23,-3.1 -23,-1.9 -2,-0.9 39,-0.0 -0.636 54.4 7.1-101.0 152.5 67.8 7.7 -10.7 26 26 A D S S+ 0 0 133 -2,-0.2 2,-0.4 -25,-0.2 -1,-0.2 0.833 88.1 148.0 53.4 41.0 66.6 8.9 -7.3 27 27 A A - 0 0 18 -3,-0.4 -1,-0.2 1,-0.1 69,-0.1 -0.907 43.3-164.8-117.0 132.8 65.1 5.4 -6.5 28 28 A S S S+ 0 0 100 -2,-0.4 2,-0.2 67,-0.1 -1,-0.1 0.690 75.2 72.5 -83.1 -21.2 64.9 3.9 -3.1 29 29 A F S S- 0 0 18 1,-0.1 2,-0.1 67,-0.0 -2,-0.1 -0.508 85.3-107.3 -97.1 161.7 64.2 0.4 -4.6 30 30 A E - 0 0 110 -2,-0.2 2,-0.8 58,-0.2 58,-0.3 -0.453 31.6-103.7 -87.5 158.2 66.6 -1.9 -6.4 31 31 A L + 0 0 4 30,-0.4 56,-0.2 1,-0.2 3,-0.1 -0.751 42.3 171.5 -80.7 109.1 66.7 -2.7 -10.1 32 32 A K - 0 0 114 54,-2.5 2,-0.3 -2,-0.8 55,-0.2 0.799 59.7 -17.5 -89.3 -33.2 65.1 -6.2 -10.3 33 33 A D E -F 86 0B 99 53,-1.3 53,-3.2 28,-0.0 2,-0.3 -0.964 58.5-133.3-164.4 171.3 64.8 -6.5 -14.1 34 34 A T E -F 85 0B 19 -2,-0.3 2,-0.3 51,-0.2 51,-0.2 -0.926 10.3-168.0-136.8 158.3 64.8 -4.6 -17.4 35 35 A G E -F 84 0B 10 49,-1.9 49,-2.4 -2,-0.3 2,-0.4 -0.993 6.2-155.6-146.4 149.1 62.8 -4.4 -20.7 36 36 A W E +F 83 0B 6 13,-0.4 13,-3.2 -2,-0.3 2,-0.3 -0.973 15.9 175.4-128.3 146.5 63.3 -2.8 -24.1 37 37 A Y E -FG 82 48B 32 45,-2.3 45,-2.0 -2,-0.4 2,-0.3 -0.928 9.2-163.4-144.9 156.9 60.7 -1.7 -26.7 38 38 A R E -FG 81 47B 37 9,-2.7 9,-3.1 -2,-0.3 2,-0.5 -0.996 13.1-155.2-147.8 156.7 60.3 0.0 -30.0 39 39 A T E -F 80 0B 26 41,-2.1 41,-2.3 -2,-0.3 7,-0.1 -0.986 30.9-127.8-128.0 114.0 57.8 1.7 -32.2 40 40 A K E > -F 79 0B 79 -2,-0.5 3,-2.1 5,-0.4 39,-0.3 -0.278 38.2 -89.1 -59.1 145.3 58.6 1.7 -35.9 41 41 A L T 3 S+ 0 0 137 37,-1.7 -1,-0.1 1,-0.3 3,-0.1 -0.336 117.6 20.4 -57.8 131.9 58.5 5.1 -37.7 42 42 A G T 3 S+ 0 0 90 1,-0.3 2,-0.3 -3,-0.1 -1,-0.3 0.557 108.8 101.3 81.2 7.6 55.0 5.7 -39.0 43 43 A S < - 0 0 49 -3,-2.1 -1,-0.3 1,-0.1 -4,-0.0 -0.833 55.5-159.6-120.0 162.6 53.5 3.2 -36.6 44 44 A T + 0 0 138 -2,-0.3 2,-0.5 -3,-0.1 -1,-0.1 0.615 64.1 89.3-114.9 -22.2 51.7 3.7 -33.3 45 45 A N - 0 0 111 -5,-0.1 2,-0.4 1,-0.0 -5,-0.4 -0.708 66.8-138.9 -91.3 129.1 52.0 0.3 -31.5 46 46 A E - 0 0 75 -2,-0.5 2,-0.3 -7,-0.1 -7,-0.2 -0.681 19.1-166.1 -82.5 126.5 55.0 -0.5 -29.3 47 47 A Q E -G 38 0B 100 -9,-3.1 -9,-2.7 -2,-0.4 2,-0.2 -0.818 22.2-110.4-110.7 154.8 56.6 -3.9 -29.6 48 48 A S E -G 37 0B 85 -2,-0.3 2,-0.6 -11,-0.2 -11,-0.3 -0.509 25.1-129.5 -78.7 152.0 59.0 -5.6 -27.2 49 49 A I - 0 0 17 -13,-3.2 2,-0.5 -2,-0.2 -13,-0.4 -0.921 13.4-142.7-104.3 118.7 62.6 -6.2 -28.2 50 50 A S - 0 0 101 -2,-0.6 5,-0.2 -15,-0.1 2,-0.2 -0.682 24.4-123.3 -74.7 122.5 64.0 -9.8 -27.7 51 51 A I + 0 0 80 -2,-0.5 5,-0.2 3,-0.1 2,-0.2 -0.456 69.5 70.2 -68.4 136.1 67.6 -9.6 -26.5 52 52 A G B > S+C 55 0A 41 3,-2.9 3,-1.7 -2,-0.2 2,-0.4 -0.484 77.0 29.3 131.7 157.7 70.0 -11.5 -28.8 53 53 A G T 3 S+ 0 0 76 1,-0.3 -1,-0.1 -2,-0.2 18,-0.1 -0.521 132.4 4.2 65.5-118.2 71.5 -11.3 -32.3 54 54 A R T 3 S+ 0 0 50 -2,-0.4 17,-2.1 1,-0.1 2,-0.6 0.645 125.6 72.5 -69.3 -18.8 71.7 -7.6 -33.3 55 55 A Y E < +CD 52 70A 32 -3,-1.7 -3,-2.9 -5,-0.2 2,-0.5 -0.897 60.6 177.8-106.9 112.1 70.5 -6.5 -29.8 56 56 A V E - D 0 69A 71 13,-2.2 13,-2.6 -2,-0.6 2,-0.3 -0.962 11.3-156.5-116.4 131.4 72.9 -6.9 -26.9 57 57 A E E - D 0 68A 52 -2,-0.5 2,-0.4 11,-0.2 11,-0.2 -0.818 6.3-163.4-106.3 145.3 72.1 -5.7 -23.4 58 58 A T E - D 0 67A 90 9,-2.3 9,-2.5 -2,-0.3 2,-0.4 -0.998 12.0-170.2-125.0 124.3 74.4 -4.8 -20.5 59 59 A V E + D 0 66A 66 -2,-0.4 2,-0.5 7,-0.2 7,-0.2 -0.967 15.0 179.6-122.2 126.6 73.0 -4.6 -17.0 60 60 A N E > + D 0 65A 88 5,-3.1 5,-2.4 -2,-0.4 3,-0.4 -0.887 1.0 179.1-121.7 98.2 74.7 -3.3 -13.8 61 61 A K T > 5S+ 0 0 115 -2,-0.5 3,-0.6 3,-0.2 -30,-0.4 0.812 77.5 66.6 -69.5 -27.8 72.3 -3.7 -10.9 62 62 A G T 3 5S+ 0 0 76 1,-0.3 -1,-0.2 2,-0.1 -2,-0.0 0.885 115.8 26.7 -59.0 -42.0 74.8 -2.2 -8.5 63 63 A S T 3 5S- 0 0 60 -3,-0.4 -1,-0.3 2,-0.2 -2,-0.2 0.234 108.5-123.1-105.9 11.4 74.6 1.2 -10.2 64 64 A K T < 5 + 0 0 35 -3,-0.6 -40,-2.8 -4,-0.2 2,-0.3 0.837 67.5 133.5 50.8 40.7 71.0 0.6 -11.4 65 65 A S E < +BD 23 60A 32 -5,-2.4 -5,-3.1 -42,-0.2 2,-0.3 -0.885 30.5 175.9-123.6 151.7 72.1 1.2 -15.0 66 66 A F E -BD 22 59A 5 -44,-2.8 -44,-2.9 -2,-0.3 2,-0.3 -0.994 6.5-164.9-155.0 149.5 71.5 -0.7 -18.2 67 67 A S E -BD 21 58A 19 -9,-2.5 -9,-2.3 -2,-0.3 2,-0.4 -0.965 10.3-152.4-140.7 153.3 72.2 -0.3 -21.9 68 68 A L E -BD 20 57A 0 -48,-2.0 -48,-2.8 -2,-0.3 2,-0.5 -0.994 8.5-164.3-124.9 130.9 71.2 -1.7 -25.3 69 69 A R E -BD 19 56A 117 -13,-2.6 -13,-2.2 -2,-0.4 2,-0.6 -0.979 4.1-164.2-116.2 121.1 73.5 -1.7 -28.3 70 70 A I E -BD 18 55A 0 -52,-3.0 -52,-2.2 -2,-0.5 3,-0.3 -0.934 13.4-163.2-106.5 118.2 71.9 -2.3 -31.7 71 71 A S + 0 0 42 -17,-2.1 -54,-0.2 -2,-0.6 -55,-0.1 -0.505 59.7 24.8 -99.7 166.8 74.4 -3.3 -34.4 72 72 A D S S- 0 0 85 -57,-0.6 -1,-0.2 -2,-0.2 -56,-0.2 0.884 82.2-155.3 49.9 50.6 74.2 -3.3 -38.2 73 73 A L - 0 0 1 -57,-3.0 -58,-3.1 -3,-0.3 2,-0.3 -0.197 14.5-173.3 -58.0 142.5 71.5 -0.6 -38.4 74 74 A R > - 0 0 86 -60,-0.2 3,-2.2 -59,-0.1 4,-0.3 -0.864 40.9 -99.0-131.0 167.1 69.1 -0.3 -41.4 75 75 A V G > S+ 0 0 63 1,-0.3 3,-2.1 -2,-0.3 48,-0.3 0.864 120.7 61.4 -54.0 -40.5 66.5 2.2 -42.5 76 76 A E G 3 S+ 0 0 115 1,-0.3 -1,-0.3 -36,-0.1 -35,-0.2 0.625 90.7 69.7 -66.7 -13.1 63.7 -0.0 -41.1 77 77 A D G < S+ 0 0 3 -3,-2.2 -1,-0.3 -37,-0.1 -2,-0.2 0.641 73.9 117.3 -74.3 -15.3 65.3 0.3 -37.6 78 78 A S < + 0 0 9 -3,-2.1 -37,-1.7 -4,-0.3 2,-0.3 -0.225 44.8 76.7 -55.2 139.9 64.2 3.9 -37.6 79 79 A G E S-FH 40 121B 6 42,-1.9 42,-3.3 -39,-0.3 2,-0.4 -0.965 82.6 -47.6 153.8-163.2 61.7 4.7 -34.8 80 80 A T E -FH 39 120B 54 -41,-2.3 -41,-2.1 -2,-0.3 2,-0.4 -0.898 44.2-163.7-108.7 133.6 61.5 5.4 -31.1 81 81 A Y E -FH 38 119B 0 38,-2.4 38,-1.9 -2,-0.4 2,-0.3 -0.930 6.4-174.5-118.1 140.6 63.1 3.1 -28.5 82 82 A K E -F 37 0B 67 -45,-2.0 -45,-2.3 -2,-0.4 2,-0.3 -0.982 11.7-151.2-135.9 144.4 62.3 2.9 -24.8 83 83 A a E -F 36 0B 0 -2,-0.3 33,-2.2 -47,-0.2 2,-0.4 -0.766 10.5-155.1-106.6 158.1 63.8 1.1 -21.8 84 84 A Q E -FI 35 115B 11 -49,-2.4 -49,-1.9 -2,-0.3 2,-0.5 -0.996 5.4-150.7-137.1 131.3 62.0 0.0 -18.7 85 85 A A E -FI 34 114B 0 29,-2.8 29,-2.4 -2,-0.4 2,-0.3 -0.883 17.2-153.2 -96.9 126.6 63.3 -0.6 -15.2 86 86 A F E +FI 33 113B 37 -53,-3.2 -54,-2.5 -2,-0.5 -53,-1.3 -0.792 25.0 150.2-101.8 147.0 61.3 -3.2 -13.2 87 87 A Y E - 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