==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=19-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER IMMUNOGLOBULIN 04-JAN-96 1VGE . COMPND 2 MOLECULE: TR1.9 FAB; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR S.CHACKO,E.A.PADLAN . 439 2 4 4 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 19264.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 281 64.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 9 2.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 171 39.0 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 5 1.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 4 0.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.2 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 . 2 0.5 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 . 40 9.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 36 8.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 12 2.7 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 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 RESIDUES PER ALPHA HELIX . 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 0 PARALLEL BRIDGES PER LADDER . 6 3 6 2 3 7 3 0 1 1 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 5 1 0 0 0 0 0 0 0 0 1 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 E 0 0 135 0, 0.0 2,-0.5 0, 0.0 95,-0.1 0.000 360.0 360.0 360.0 161.2 -4.6 9.0 48.2 2 2 L L - 0 0 7 93,-0.5 2,-0.4 91,-0.1 88,-0.1 -0.866 360.0-135.3 -92.0 124.9 -2.1 11.8 48.8 3 3 L V - 0 0 61 -2,-0.5 23,-2.3 94,-0.0 2,-0.5 -0.771 13.4-159.2 -89.7 135.0 -2.3 12.7 52.5 4 4 L M E -A 25 0A 1 94,-0.6 2,-0.5 -2,-0.4 96,-0.4 -0.968 10.7-171.7-110.5 121.8 -2.3 16.4 53.5 5 5 L T E -A 24 0A 67 19,-2.3 19,-2.6 -2,-0.5 2,-0.3 -0.974 5.9-156.2-120.5 124.5 -1.2 17.0 57.1 6 6 L Q E -A 23 0A 22 -2,-0.5 17,-0.2 17,-0.2 94,-0.1 -0.703 14.1-125.3-100.6 153.4 -1.5 20.5 58.7 7 7 L S E S+A 22 0A 61 15,-2.4 15,-2.7 -2,-0.3 2,-0.1 -0.972 79.1 19.8-144.9 130.2 0.5 21.8 61.6 8 8 L P - 0 0 46 0, 0.0 3,-0.1 0, 0.0 -1,-0.1 0.605 59.1-153.8 -78.0-175.2 -0.6 22.9 64.2 9 9 L S S S+ 0 0 91 1,-0.3 94,-2.8 93,-0.2 2,-0.3 0.825 83.3 12.3 -80.9 -32.9 -4.2 21.8 64.9 10 10 L S E +d 103 0B 69 92,-0.3 -1,-0.3 75,-0.1 2,-0.3 -0.955 61.2 177.3-147.1 151.4 -4.8 25.0 67.1 11 11 L L E -d 104 0B 41 92,-1.5 94,-2.5 -2,-0.3 2,-0.4 -0.949 11.7-161.0-150.3 152.6 -3.1 28.3 67.8 12 12 L S E +d 105 0B 65 -2,-0.3 2,-0.3 92,-0.2 94,-0.2 -0.975 24.8 162.5-131.0 138.0 -4.1 31.3 69.9 13 13 L A E -d 106 0B 11 92,-1.4 94,-3.2 -2,-0.4 2,-0.1 -0.956 36.3-108.2-152.8 160.1 -2.3 34.5 69.1 14 14 L S > - 0 0 45 -2,-0.3 3,-1.6 92,-0.2 64,-0.3 -0.481 47.6 -86.8 -86.9 167.2 -2.9 38.2 69.8 15 15 L V T 3 S+ 0 0 76 92,-0.5 64,-0.2 1,-0.2 -1,-0.1 -0.489 117.7 34.4 -77.3 144.5 -4.0 40.7 67.1 16 16 L G T 3 S+ 0 0 48 62,-2.1 -1,-0.2 1,-0.4 63,-0.1 0.203 91.8 123.7 99.4 -13.6 -1.0 42.1 65.3 17 17 L D < - 0 0 73 -3,-1.6 61,-2.5 61,-0.2 2,-0.5 -0.406 63.0-125.1 -77.4 153.7 0.9 38.8 65.6 18 18 L R - 0 0 156 59,-0.2 2,-0.4 -3,-0.1 58,-0.2 -0.900 28.9-167.0 -96.8 127.6 2.2 37.0 62.6 19 19 L V E - B 0 75A 8 56,-2.0 56,-2.5 -2,-0.5 2,-0.4 -0.928 8.6-165.9-119.2 146.6 1.0 33.4 62.3 20 20 L N E - B 0 74A 79 -2,-0.4 2,-0.4 54,-0.2 54,-0.2 -0.999 2.0-167.7-127.1 124.8 2.3 30.6 60.0 21 21 L I E - B 0 73A 1 52,-2.1 52,-2.2 -2,-0.4 2,-0.3 -0.960 13.5-149.0-114.1 135.3 0.4 27.3 59.4 22 22 L A E -AB 7 72A 32 -15,-2.7 -15,-2.4 -2,-0.4 2,-0.3 -0.752 11.9-171.1-104.2 152.7 2.2 24.5 57.6 23 23 L a E -AB 6 71A 0 48,-1.9 48,-2.0 -2,-0.3 2,-0.4 -0.995 7.6-158.5-139.6 127.6 0.7 21.8 55.3 24 24 L R E -AB 5 70A 74 -19,-2.6 -19,-2.3 -2,-0.3 2,-0.4 -0.939 8.1-148.0-111.6 140.7 2.7 18.7 54.1 25 25 L A E -A 4 0A 5 44,-2.4 -21,-0.2 -2,-0.4 3,-0.1 -0.803 21.0-131.4 -93.8 134.4 1.9 16.7 51.1 26 26 L S S S+ 0 0 69 -23,-2.3 2,-0.3 -2,-0.4 -22,-0.1 0.616 93.3 6.4 -64.3 -9.4 2.9 13.0 51.5 27 27 L Q S S- 0 0 122 -24,-0.2 -1,-0.1 41,-0.1 41,-0.0 -0.953 107.6 -56.7-162.4 165.5 4.5 13.4 48.1 28 28 L G + 0 0 49 -2,-0.3 41,-0.2 1,-0.1 3,-0.1 -0.114 41.5 167.6 -53.1 131.8 5.2 16.2 45.5 29 29 L I > - 0 0 0 39,-2.7 3,-2.4 1,-0.4 2,-0.3 0.179 33.5-143.2-125.9 13.1 2.3 18.2 44.2 30 30 L S T 3 S- 0 0 80 1,-0.3 38,-1.4 38,-0.1 -1,-0.4 -0.485 71.6 -31.4 56.2-114.2 4.2 21.0 42.5 31 31 L S T 3 S+ 0 0 52 -2,-0.3 2,-2.2 36,-0.2 -1,-0.3 0.173 99.2 123.5-116.1 14.0 2.1 24.1 43.2 32 32 L A < + 0 0 15 -3,-2.4 59,-2.4 18,-0.2 2,-0.4 -0.347 40.0 118.4 -89.2 69.6 -1.4 22.5 43.2 33 33 L L E -E 90 0B 0 -2,-2.2 18,-2.6 57,-0.2 2,-0.3 -0.951 39.2-172.8-128.8 131.0 -2.4 23.7 46.6 34 34 L A E -E 89 0B 0 55,-1.9 55,-2.0 -2,-0.4 2,-0.4 -0.899 13.0-146.4-119.2 157.2 -5.3 25.9 47.6 35 35 L W E -EF 88 48B 0 13,-2.1 12,-2.4 -2,-0.3 13,-1.2 -0.988 14.2-164.8-122.6 134.0 -6.0 27.3 51.2 36 36 L Y E -EF 87 46B 0 51,-2.7 51,-1.8 -2,-0.4 2,-0.4 -0.904 12.2-148.3-119.1 155.4 -9.6 27.9 52.5 37 37 L Q E -EF 86 45B 16 8,-2.4 8,-2.1 -2,-0.3 2,-0.5 -0.964 15.0-172.1-114.4 126.9 -10.9 29.8 55.5 38 38 L Q E -E 85 0B 13 47,-2.8 47,-2.0 -2,-0.4 3,-0.1 -0.925 11.3-154.2-126.6 113.1 -14.1 28.5 57.2 39 39 L K > - 0 0 32 -2,-0.5 3,-1.4 4,-0.4 45,-0.1 -0.566 50.2 -81.5 -75.0 138.5 -15.8 30.5 59.8 40 40 L P T 3 S+ 0 0 42 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 -0.264 116.2 13.3 -46.1 120.8 -17.7 28.2 62.1 41 41 L G T 3 S+ 0 0 84 1,-0.3 2,-0.3 -3,-0.1 -2,-0.0 0.718 109.2 96.7 84.9 30.7 -21.0 27.2 60.5 42 42 L K S < S- 0 0 105 -3,-1.4 -1,-0.3 3,-0.0 3,-0.1 -0.914 80.5 -86.0-143.7 168.2 -20.4 28.5 57.0 43 43 L A - 0 0 20 -2,-0.3 -4,-0.4 1,-0.1 286,-0.1 -0.492 55.8-100.3 -73.1 138.7 -19.3 27.4 53.7 44 44 L P - 0 0 6 0, 0.0 2,-0.4 0, 0.0 -6,-0.2 -0.171 36.4-143.9 -51.4 150.7 -15.5 27.4 53.2 45 45 L R E -F 37 0B 95 -8,-2.1 -8,-2.4 -3,-0.1 2,-0.3 -0.982 12.6-118.7-128.7 133.3 -13.9 30.4 51.3 46 46 L L E +F 36 0B 4 -2,-0.4 -10,-0.2 279,-0.4 3,-0.1 -0.482 37.4 160.3 -67.5 125.5 -11.0 30.4 48.9 47 47 L L E + 0 0 0 -12,-2.4 8,-2.8 1,-0.4 2,-0.3 0.767 66.7 13.8-105.5 -49.8 -8.0 32.6 50.0 48 48 L I E -FG 35 54B 0 -13,-1.2 -13,-2.1 6,-0.3 -1,-0.4 -0.984 58.2-176.2-135.4 138.5 -5.1 31.3 47.9 49 49 L Y E > S+ G 0 53B 55 4,-2.0 4,-2.3 -2,-0.3 3,-0.4 -0.935 71.8 28.1-133.3 156.5 -4.8 28.9 44.9 50 50 L D T 4 S- 0 0 59 -17,-0.3 2,-2.1 -2,-0.3 -18,-0.2 0.897 123.8 -77.4 56.4 40.9 -1.6 27.6 43.1 51 51 L A T 4 S+ 0 0 1 -18,-2.6 -1,-0.2 1,-0.2 21,-0.2 -0.087 127.3 27.3 65.3 -34.0 0.2 27.8 46.5 52 52 L S T 4 S+ 0 0 75 -2,-2.1 2,-0.5 -3,-0.4 12,-0.3 0.451 84.6 107.1-136.1 1.4 0.7 31.6 46.3 53 53 L N E < -G 49 0B 69 -4,-2.3 -4,-2.0 10,-0.1 2,-0.2 -0.743 58.9-138.7 -91.3 124.7 -2.0 33.4 44.2 54 54 L L E -G 48 0B 57 -2,-0.5 -6,-0.3 -6,-0.2 2,-0.2 -0.584 20.5-120.8 -78.6 140.7 -4.5 35.5 46.3 55 55 L E > - 0 0 46 -8,-2.8 3,-1.8 -2,-0.2 -1,-0.1 -0.501 44.6 -83.7 -74.8 147.7 -8.1 35.2 45.2 56 56 L S T 3 S+ 0 0 112 1,-0.3 -1,-0.1 -2,-0.2 0, 0.0 -0.224 115.6 20.5 -53.3 137.9 -9.6 38.6 44.2 57 57 L G T 3 S+ 0 0 69 1,-0.3 -1,-0.3 -3,-0.1 3,-0.1 0.320 88.8 127.7 84.8 -12.1 -11.0 40.5 47.3 58 58 L V S < S- 0 0 13 -3,-1.8 -1,-0.3 -11,-0.1 -4,-0.1 -0.581 70.5 -98.5 -75.6 140.8 -8.9 38.6 49.9 59 59 L P > - 0 0 48 0, 0.0 3,-1.8 0, 0.0 -1,-0.1 -0.333 24.0-121.2 -57.7 143.2 -6.9 41.0 52.2 60 60 L S T 3 S+ 0 0 120 1,-0.3 16,-0.1 -3,-0.1 -2,-0.0 0.439 103.7 77.9 -62.9 -5.0 -3.3 41.6 51.4 61 61 L R T 3 S+ 0 0 40 14,-0.1 15,-2.8 16,-0.1 2,-0.4 0.589 79.3 82.6 -85.6 -4.7 -2.3 40.3 54.9 62 62 L F E < +C 75 0A 6 -3,-1.8 2,-0.3 13,-0.2 13,-0.2 -0.753 57.0 161.5 -88.8 134.2 -2.8 36.7 53.7 63 63 L S E -C 74 0A 61 11,-1.4 11,-2.6 -2,-0.4 2,-0.3 -0.970 18.9-157.8-147.0 158.0 0.1 35.1 51.7 64 64 L G E +C 73 0A 14 -2,-0.3 2,-0.3 -12,-0.3 9,-0.2 -0.963 10.8 176.3-134.1 155.1 1.1 31.5 50.9 65 65 L S E +C 72 0A 61 7,-2.2 7,-2.3 -2,-0.3 2,-0.1 -0.957 24.2 87.8-150.4 170.8 4.4 29.8 49.9 66 66 L G E -C 71 0A 35 -2,-0.3 2,-0.3 5,-0.3 5,-0.2 -0.402 34.1-154.8 118.8 160.2 5.9 26.4 49.1 67 67 L S E > +C 70 0A 81 3,-0.9 2,-1.4 -2,-0.1 3,-1.1 -0.943 67.7 13.0-163.8 152.7 6.4 24.0 46.2 68 68 L G T 3 S- 0 0 23 -38,-1.4 -39,-2.7 -2,-0.3 -38,-0.1 -0.562 131.3 -18.2 79.9 -92.5 6.8 20.3 46.1 69 69 L T T 3 S+ 0 0 52 -2,-1.4 -44,-2.4 -41,-0.2 2,-0.5 0.625 119.3 65.3-127.7 -21.3 5.8 19.0 49.5 70 70 L D E < +BC 24 67A 94 -3,-1.1 -3,-0.9 -46,-0.2 2,-0.3 -0.950 53.8 175.6-119.6 125.9 5.8 21.8 52.1 71 71 L F E -BC 23 66A 1 -48,-2.0 -48,-1.9 -2,-0.5 2,-0.4 -0.936 10.5-160.7-126.7 147.1 3.5 24.8 52.0 72 72 L T E -BC 22 65A 44 -7,-2.3 -7,-2.2 -2,-0.3 2,-0.5 -0.995 7.1-160.4-128.2 135.2 3.0 27.8 54.4 73 73 L L E -BC 21 64A 0 -52,-2.2 -52,-2.1 -2,-0.4 2,-0.4 -0.977 17.8-165.1-105.8 127.2 0.1 30.2 54.8 74 74 L T E -BC 20 63A 9 -11,-2.6 -11,-1.4 -2,-0.5 2,-0.7 -0.937 15.7-164.5-114.1 131.2 1.1 33.4 56.7 75 75 L I E -BC 19 62A 0 -56,-2.5 -56,-2.0 -2,-0.4 3,-0.3 -0.957 14.4-161.7-104.5 112.5 -1.3 35.9 58.2 76 76 L S S S+ 0 0 49 -15,-2.8 2,-0.4 -2,-0.7 -1,-0.1 0.803 76.5 16.5 -75.8 -26.0 1.0 38.9 58.7 77 77 L S S S- 0 0 43 -16,-0.2 -1,-0.3 -59,-0.1 -59,-0.2 -0.805 86.1-137.2-144.8 97.5 -1.1 40.9 61.3 78 78 L L - 0 0 0 -61,-2.5 -62,-2.1 -2,-0.4 -61,-0.2 -0.296 21.5-167.5 -54.9 135.2 -3.8 38.8 62.8 79 79 L Q > - 0 0 59 -64,-0.2 3,-2.1 -63,-0.1 4,-0.1 -0.865 33.2-108.6-122.7 157.8 -7.1 40.6 63.1 80 80 L P G > S+ 0 0 24 0, 0.0 3,-1.8 0, 0.0 89,-0.2 0.888 117.6 61.0 -58.6 -35.7 -10.3 39.5 65.3 81 81 L E G 3 S+ 0 0 91 1,-0.3 87,-0.1 88,-0.1 88,-0.1 0.565 86.5 77.2 -68.9 -2.6 -12.2 38.6 62.1 82 82 L D G < + 0 0 2 -3,-2.1 -1,-0.3 86,-0.1 2,-0.2 0.464 60.1 122.7 -85.5 -0.2 -9.5 36.1 61.3 83 83 L F < + 0 0 7 -3,-1.8 2,-0.3 -4,-0.1 22,-0.2 -0.483 43.9 106.4 -56.7 127.2 -10.9 33.6 63.8 84 84 L A E S- H 0 104B 0 20,-0.9 20,-2.6 -2,-0.2 2,-0.4 -0.965 74.4 -90.6 179.4 175.3 -11.6 30.5 61.7 85 85 L I E -EH 38 103B 28 -47,-2.0 -47,-2.8 -2,-0.3 2,-0.4 -0.941 41.5-151.5-105.1 137.5 -10.5 26.9 60.8 86 86 L Y E -EH 37 102B 0 16,-2.1 16,-1.2 -2,-0.4 2,-0.3 -0.958 13.0-170.6-114.5 132.5 -8.0 27.0 57.9 87 87 L Y E -E 36 0B 11 -51,-1.8 -51,-2.7 -2,-0.4 2,-0.4 -0.926 13.2-152.5-122.8 145.0 -7.7 24.0 55.3 88 88 L a E -E 35 0B 0 -2,-0.3 11,-2.3 -53,-0.2 2,-0.3 -0.886 15.0-169.6-108.4 145.4 -5.3 23.2 52.6 89 89 L Q E -EI 34 98B 0 -55,-2.0 -55,-1.9 -2,-0.4 2,-0.3 -0.990 11.7-143.1-128.3 142.8 -6.4 21.0 49.7 90 90 L Q E +EI 33 97B 0 7,-2.2 7,-0.8 -2,-0.3 -57,-0.2 -0.818 15.0 179.9 -97.3 151.9 -4.3 19.4 46.9 91 91 L F + 0 0 17 -59,-2.4 -58,-0.1 -2,-0.3 3,-0.1 -0.125 58.5 97.0-138.5 34.9 -5.5 19.1 43.3 92 92 L N S S+ 0 0 59 -60,-0.4 2,-0.3 1,-0.3 4,-0.1 0.814 92.4 21.9 -86.2 -34.4 -2.6 17.3 41.7 93 93 L S S S- 0 0 43 2,-0.2 -1,-0.3 4,-0.1 4,-0.2 -0.932 89.8 -86.4-135.7 155.9 -4.1 13.9 42.0 94 94 L Y S S+ 0 0 80 -2,-0.3 2,-0.2 -3,-0.1 -3,-0.1 -0.838 103.9 55.5 -93.5 137.4 -7.5 12.3 42.4 95 95 L P S S- 0 0 27 0, 0.0 -93,-0.5 0, 0.0 2,-0.2 0.563 91.1-139.2 -69.2 142.1 -9.0 11.8 45.1 96 96 L L - 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