==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-OCT-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER IMMUNE SYSTEM/VIRAL PROTEIN 01-JUN-12 4FFY . COMPND 2 MOLECULE: DENV1-E111 SINGLE CHAIN VARIABLE FRAGMENT (LIGHT . SOURCE 2 ORGANISM_SCIENTIFIC: MUS MUSCULUS; . AUTHOR S.K.AUSTIN,C.A.NELSON,D.H.FREMONT,CENTER FOR STRUCTURAL GENO . 328 3 3 3 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14589.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 214 65.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 13 4.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 127 38.7 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 5 1.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.6 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 . 33 10.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 23 7.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 6 1.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 1 0.3 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 . 1 0 0 1 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 PARALLEL BRIDGES PER LADDER . 1 6 5 4 1 6 2 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 . 1 1 3 1 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 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 L N 0 0 123 0, 0.0 2,-0.6 0, 0.0 99,-0.1 0.000 360.0 360.0 360.0 136.2 19.7 -32.7 -10.3 2 2 L I - 0 0 0 97,-0.4 2,-0.4 95,-0.2 92,-0.1 -0.689 360.0-146.8 -75.4 120.2 19.4 -31.3 -6.9 3 3 L V - 0 0 80 -2,-0.6 23,-2.5 98,-0.0 2,-0.5 -0.773 7.7-157.1 -93.8 131.4 22.8 -31.6 -5.2 4 4 L L E -A 25 0A 11 -2,-0.4 2,-0.5 98,-0.4 100,-0.5 -0.935 6.3-166.7-110.5 121.7 23.0 -32.3 -1.5 5 5 L T E -A 24 0A 84 19,-3.4 19,-2.6 -2,-0.5 2,-0.3 -0.930 5.4-158.8-112.9 121.7 26.1 -31.4 0.4 6 6 L Q E -A 23 0A 21 -2,-0.5 17,-0.2 17,-0.2 3,-0.0 -0.678 14.3-123.0 -98.3 153.0 26.7 -32.6 3.9 7 7 L S E S+A 22 0A 65 15,-2.0 15,-2.7 -2,-0.3 2,-0.1 -0.982 76.7 19.9-149.5 135.3 29.1 -31.2 6.5 8 8 L P - 0 0 47 0, 0.0 3,-0.1 0, 0.0 -1,-0.1 0.643 65.5-140.6 -85.9-178.6 31.3 -32.2 8.0 9 9 L A S S- 0 0 83 1,-0.3 98,-2.2 97,-0.1 2,-0.3 0.923 86.6 -13.4 -65.1 -44.6 32.6 -35.4 6.3 10 10 L S E -d 107 0B 72 96,-0.3 2,-0.3 79,-0.1 -1,-0.3 -0.983 66.7-174.8-151.9 161.7 33.0 -36.9 9.8 11 11 L L E -d 108 0B 36 96,-2.4 98,-2.7 -2,-0.3 2,-0.4 -0.991 16.7-140.8-155.6 153.1 33.0 -35.8 13.4 12 12 L A E -d 109 0B 55 -2,-0.3 2,-0.4 96,-0.2 98,-0.2 -0.977 18.5-167.8-120.5 132.0 33.7 -37.2 16.9 13 13 L V E -d 110 0B 15 96,-2.6 98,-2.2 -2,-0.4 3,-0.1 -0.968 25.1-115.4-124.7 134.3 31.5 -36.2 19.8 14 14 L S E > -d 111 0B 58 -2,-0.4 3,-2.4 96,-0.2 68,-0.3 -0.407 50.4 -87.5 -64.8 139.7 32.2 -36.8 23.5 15 15 L L T 3 S+ 0 0 84 96,-2.8 68,-0.2 1,-0.3 -1,-0.1 -0.225 114.7 17.1 -54.0 126.7 29.6 -39.1 25.1 16 16 L G T 3 S+ 0 0 29 66,-1.8 -1,-0.3 1,-0.3 67,-0.1 0.273 103.1 114.8 93.8 -9.8 26.6 -37.2 26.4 17 17 L Q S < S- 0 0 115 -3,-2.4 65,-2.9 64,-0.2 -1,-0.3 -0.335 71.8 -90.4 -89.3 173.4 27.4 -34.1 24.3 18 18 L R - 0 0 160 63,-0.2 2,-0.4 -3,-0.1 62,-0.2 -0.604 34.9-162.0 -87.1 140.6 25.5 -32.5 21.5 19 19 L A E - B 0 79A 2 60,-2.5 60,-2.1 -2,-0.3 2,-0.4 -0.960 4.9-171.6-122.2 142.9 26.1 -33.4 17.8 20 20 L T E - B 0 78A 66 -2,-0.4 2,-0.4 58,-0.2 58,-0.2 -0.994 5.0-178.9-137.7 130.6 25.1 -31.4 14.7 21 21 L I E - B 0 77A 3 56,-2.5 56,-3.1 -2,-0.4 2,-0.3 -0.987 14.6-151.9-126.5 135.5 25.2 -32.4 11.0 22 22 L S E -AB 7 76A 33 -15,-2.7 -15,-2.0 -2,-0.4 2,-0.4 -0.817 8.4-165.2-111.9 150.7 24.2 -30.1 8.2 23 23 L a E -AB 6 75A 0 52,-2.7 52,-2.5 -2,-0.3 2,-0.4 -0.997 7.9-167.9-130.8 127.0 22.8 -30.8 4.7 24 24 L R E -AB 5 74A 151 -19,-2.6 -19,-3.4 -2,-0.4 2,-0.4 -0.959 8.3-149.6-120.2 133.2 22.7 -28.1 2.1 25 25 L A E -A 4 0A 11 48,-2.5 -21,-0.2 -2,-0.4 4,-0.1 -0.813 19.2-133.5-106.0 141.5 20.8 -28.3 -1.1 26 26 L S S S+ 0 0 70 -23,-2.5 2,-0.3 -2,-0.4 -22,-0.1 0.655 93.1 0.3 -66.2 -16.6 21.7 -26.8 -4.5 27 27 L E S S- 0 0 90 -24,-0.2 -1,-0.1 45,-0.1 -25,-0.0 -0.965 102.7 -53.3-160.8 174.8 18.1 -25.6 -4.7 28 28 L S - 0 0 50 -2,-0.3 45,-0.2 1,-0.1 -2,-0.1 -0.133 29.4-173.0 -59.7 140.5 14.8 -25.8 -2.8 29 29 L V + 0 0 0 43,-1.7 7,-3.3 -4,-0.1 2,-0.3 0.120 47.1 124.2-114.0 16.4 13.3 -29.1 -1.7 30 30 L D E -J 35 0C 44 5,-0.3 2,-0.4 42,-0.1 5,-0.2 -0.626 35.7-177.9 -82.6 136.0 10.1 -27.5 -0.5 31 30AL H E > S-J 34 0C 3 3,-3.1 3,-1.5 -2,-0.3 241,-0.2 -0.962 73.8 -23.0-136.3 110.8 6.8 -28.9 -1.9 32 30BL Y T 3 S- 0 0 13 252,-0.6 240,-0.1 -2,-0.4 253,-0.1 0.867 129.4 -45.9 51.3 43.4 3.6 -27.2 -0.8 33 30CL G T 3 S+ 0 0 53 1,-0.2 2,-0.4 257,-0.0 -1,-0.3 0.452 120.2 102.1 86.2 -0.3 5.2 -25.8 2.3 34 30DL N E < S-J 31 0C 17 -3,-1.5 -3,-3.1 238,-0.1 2,-0.7 -0.931 71.9-124.4-117.0 144.1 6.9 -29.1 3.3 35 31 L S E -J 30 0C 10 -2,-0.4 2,-2.1 19,-0.3 -5,-0.3 -0.752 14.9-149.2 -87.0 114.7 10.6 -30.0 2.9 36 32 L F + 0 0 3 -7,-3.3 59,-1.7 -2,-0.7 60,-0.5 -0.417 57.7 117.6 -81.5 66.4 10.9 -33.2 0.9 37 33 L I E -E 94 0B 0 -2,-2.1 18,-1.7 57,-0.2 17,-1.0 -0.971 42.0-167.7-136.6 147.0 14.1 -34.2 2.7 38 34 L Y E -EF 93 53B 0 55,-2.5 55,-1.8 -2,-0.3 2,-0.5 -0.953 14.3-140.3-139.2 150.7 14.9 -37.2 4.9 39 35 L W E -EF 92 52B 0 13,-2.6 12,-2.9 -2,-0.3 13,-1.3 -0.962 19.6-172.4-117.0 124.9 17.7 -38.4 7.3 40 36 L Y E -EF 91 50B 0 51,-3.1 51,-2.1 -2,-0.5 2,-0.4 -0.832 12.4-146.5-112.1 153.1 18.8 -42.0 7.3 41 37 L Q E -EF 90 49B 16 8,-2.8 8,-1.5 -2,-0.3 2,-0.4 -0.963 15.9-173.9-116.2 130.8 21.2 -43.7 9.7 42 38 L Q E -E 89 0B 18 47,-2.8 47,-3.0 -2,-0.4 3,-0.0 -0.983 5.7-170.6-130.9 131.2 23.5 -46.5 8.6 43 39 L K > - 0 0 55 -2,-0.4 3,-2.1 4,-0.3 45,-0.1 -0.787 44.8 -78.1-108.6 154.8 25.8 -48.7 10.6 44 40 L P T 3 S+ 0 0 126 0, 0.0 -1,-0.1 0, 0.0 0, 0.0 -0.233 117.3 11.9 -51.7 134.5 28.4 -51.2 9.2 45 41 L G T 3 S+ 0 0 90 1,-0.2 -3,-0.0 -3,-0.0 0, 0.0 0.408 112.9 97.5 77.9 -1.6 26.9 -54.4 7.9 46 42 L Q S < S- 0 0 107 -3,-2.1 -1,-0.2 3,-0.0 3,-0.1 -0.877 74.8-116.6-120.5 149.6 23.4 -53.0 8.2 47 43 L P - 0 0 43 0, 0.0 -4,-0.3 0, 0.0 174,-0.1 -0.451 51.5 -83.6 -72.8 158.8 21.0 -51.4 5.6 48 44 L P - 0 0 6 0, 0.0 2,-0.4 0, 0.0 173,-0.2 -0.104 40.7-150.1 -60.6 163.8 20.0 -47.7 6.3 49 45 L K E -F 41 0B 109 -8,-1.5 -8,-2.8 -3,-0.1 2,-0.1 -0.992 16.7-118.1-141.4 126.7 17.2 -46.8 8.7 50 46 L L E +F 40 0B 6 -2,-0.4 -10,-0.2 168,-0.3 3,-0.1 -0.400 37.5 161.7 -65.9 137.0 15.0 -43.7 8.5 51 47 L L E + 0 0 2 -12,-2.9 8,-2.5 1,-0.4 2,-0.4 0.699 62.3 22.0-117.4 -51.5 15.2 -41.3 11.4 52 48 L I E -FG 39 58B 0 -13,-1.3 -13,-2.6 6,-0.2 -1,-0.4 -0.967 61.9-169.3-126.9 136.5 13.7 -38.0 10.4 53 49 L Y E >> +FG 38 57B 22 4,-2.6 4,-2.2 -2,-0.4 3,-0.5 -0.959 69.2 14.7-129.2 150.9 11.3 -37.1 7.6 54 50 L L T 34 S- 0 0 8 -17,-1.0 2,-2.1 -2,-0.3 -19,-0.3 0.924 123.2 -73.4 51.8 47.1 10.1 -33.9 6.2 55 51 L A T 34 S+ 0 0 3 -18,-1.7 -1,-0.2 -3,-0.2 21,-0.2 -0.153 128.6 28.8 72.9 -41.8 13.1 -32.2 7.9 56 52 L S T <4 S+ 0 0 71 -2,-2.1 2,-0.5 -3,-0.5 12,-0.3 0.469 85.0 108.3-133.1 -6.2 11.7 -32.3 11.4 57 53 L N E < -G 53 0B 12 -4,-2.2 -4,-2.6 10,-0.1 2,-0.4 -0.690 58.5-135.7 -89.9 127.6 9.4 -35.3 12.0 58 54 L L E -G 52 0B 61 -2,-0.5 -6,-0.2 -6,-0.2 2,-0.1 -0.645 15.9-128.0 -81.2 126.3 10.6 -38.2 14.1 59 55 L E > - 0 0 49 -8,-2.5 3,-1.9 -2,-0.4 -1,-0.0 -0.480 42.8 -90.4 -65.6 141.4 9.9 -41.7 12.9 60 56 L S T 3 S+ 0 0 113 1,-0.2 -1,-0.1 -2,-0.1 0, 0.0 -0.262 113.2 26.9 -56.8 138.2 8.2 -43.8 15.6 61 57 L G T 3 S+ 0 0 82 1,-0.3 -1,-0.2 -3,-0.1 3,-0.1 0.142 89.3 123.1 94.5 -20.0 10.6 -45.7 17.8 62 58 L V S < S- 0 0 15 -3,-1.9 -1,-0.3 -11,-0.1 -4,-0.0 -0.617 70.9-105.7 -77.8 131.6 13.4 -43.1 17.3 63 59 L P > - 0 0 50 0, 0.0 3,-1.6 0, 0.0 -1,-0.1 -0.174 22.3-119.4 -58.4 149.3 14.7 -41.7 20.6 64 60 L A T 3 S+ 0 0 89 1,-0.3 -2,-0.1 -3,-0.1 -6,-0.0 0.683 104.2 78.6 -67.1 -19.1 13.7 -38.1 21.4 65 61 L R T 3 S+ 0 0 33 14,-0.1 15,-2.0 16,-0.1 2,-0.3 0.727 80.6 84.4 -62.8 -20.7 17.3 -37.0 21.5 66 62 L F E < +C 79 0A 6 -3,-1.6 2,-0.3 13,-0.2 13,-0.2 -0.667 56.8 158.0 -82.2 136.6 17.2 -36.9 17.7 67 63 L S E -C 78 0A 51 11,-2.3 11,-3.6 -2,-0.3 2,-0.3 -0.985 20.0-160.8-153.1 156.5 15.8 -33.8 16.1 68 64 L G E +C 77 0A 12 -12,-0.3 2,-0.3 -2,-0.3 9,-0.2 -0.967 10.8 173.1-138.3 155.6 15.9 -32.0 12.7 69 65 L S E +C 76 0A 63 7,-2.0 7,-2.4 -2,-0.3 2,-0.2 -0.967 23.4 80.6-153.2 168.6 15.2 -28.5 11.4 70 66 L G E -C 75 0A 40 -2,-0.3 2,-0.3 5,-0.2 5,-0.2 -0.526 40.8-136.9 123.3 173.3 15.5 -26.3 8.4 71 67 L S E > +C 74 0A 51 3,-1.1 3,-1.9 -2,-0.2 2,-1.5 -0.968 64.1 6.7-158.5 168.6 13.7 -25.5 5.2 72 68 L E T 3 S- 0 0 106 -2,-0.3 -43,-1.7 1,-0.3 -45,-0.1 -0.339 131.7 -14.1 59.2 -84.9 14.2 -24.7 1.5 73 69 L T T 3 S+ 0 0 46 -2,-1.5 -48,-2.5 -45,-0.2 2,-0.5 0.529 120.0 71.6-127.9 -12.6 18.0 -25.4 1.2 74 70 L D E < +BC 24 71A 83 -3,-1.9 -3,-1.1 -50,-0.2 2,-0.3 -0.946 53.6 164.8-119.0 124.2 19.5 -25.6 4.7 75 71 L F E -BC 23 70A 3 -52,-2.5 -52,-2.7 -2,-0.5 2,-0.4 -0.947 14.9-164.0-136.1 153.3 18.9 -28.4 7.1 76 72 L T E -BC 22 69A 43 -7,-2.4 -7,-2.0 -2,-0.3 2,-0.5 -0.999 10.3-152.5-139.2 141.5 20.4 -29.8 10.3 77 73 L L E -BC 21 68A 2 -56,-3.1 -56,-2.5 -2,-0.4 2,-0.4 -0.943 23.1-167.6-106.7 134.2 20.2 -33.1 12.2 78 74 L T E -BC 20 67A 15 -11,-3.6 -11,-2.3 -2,-0.5 2,-0.5 -0.984 23.6-173.0-129.6 133.0 20.8 -32.8 15.9 79 75 L I E -BC 19 66A 3 -60,-2.1 -60,-2.5 -2,-0.4 3,-0.4 -0.945 13.9-163.2-115.3 105.3 21.4 -35.3 18.7 80 76 L D S S+ 0 0 75 -15,-2.0 2,-0.2 -2,-0.5 -1,-0.1 0.699 81.7 17.3 -68.3 -18.8 21.3 -33.3 21.8 81 77 L S S S- 0 0 48 -16,-0.2 -1,-0.3 -63,-0.1 -63,-0.2 -0.644 84.7-144.0-154.3 93.8 23.0 -35.9 23.9 82 78 L V - 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