==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=3-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER IMMUNE SYSTEM 06-FEB-07 2OSL . COMPND 2 MOLECULE: LIGHT CHAIN OF THE RITUXIMAB FAB FRAGMENT; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS, MUS MUSCULUS; . AUTHOR J.DU,C.ZHONG,J.DING . 913 6 11 10 1 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 39955.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 589 64.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 24 2.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 343 37.6 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 10 1.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 6 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.1 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 . 107 11.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 66 7.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 35 3.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 8 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 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 RESIDUES PER ALPHA HELIX . 2 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 0 PARALLEL BRIDGES PER LADDER . 7 8 12 6 6 18 3 0 2 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 9 3 0 2 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 Q 0 0 132 0, 0.0 2,-0.2 0, 0.0 92,-0.1 0.000 360.0 360.0 360.0 133.0 21.9 52.5 -20.9 2 2 L I - 0 0 22 92,-0.4 2,-0.6 87,-0.1 87,-0.1 -0.533 360.0-130.2 -76.8 139.4 19.3 54.8 -22.4 3 3 L V - 0 0 75 -2,-0.2 23,-2.0 93,-0.1 2,-0.6 -0.805 15.9-161.0 -96.2 122.3 16.4 55.8 -20.1 4 4 L L E -A 25 0A 9 -2,-0.6 95,-0.5 93,-0.4 2,-0.5 -0.896 5.5-165.7-103.6 121.4 12.9 55.4 -21.4 5 5 L S E -A 24 0A 72 19,-3.0 19,-2.7 -2,-0.6 2,-0.3 -0.939 7.3-161.7-108.6 123.9 10.3 57.4 -19.6 6 6 L Q E -A 23 0A 27 -2,-0.5 17,-0.2 17,-0.2 3,-0.1 -0.726 10.5-127.2-105.4 154.4 6.6 56.6 -20.2 7 7 L S E S+A 22 0A 41 15,-1.8 15,-2.5 -2,-0.3 2,-0.1 -0.966 73.8 27.1-160.5 144.5 3.5 58.6 -19.5 8 8 L P - 0 0 50 0, 0.0 -1,-0.2 0, 0.0 3,-0.1 0.599 62.5-153.9 -81.1 164.5 1.0 58.5 -18.2 9 9 L A S S+ 0 0 68 1,-0.3 93,-3.5 92,-0.2 2,-0.4 0.938 89.1 20.9 -63.0 -48.2 1.7 56.0 -15.5 10 10 L I E S-d 102 0B 103 91,-0.2 2,-0.5 74,-0.1 -1,-0.3 -0.984 71.8-167.3-123.6 132.8 -2.0 55.1 -15.4 11 11 L L E -d 103 0B 27 91,-3.4 93,-2.0 -2,-0.4 2,-0.5 -0.944 7.7-157.0-123.4 110.9 -4.3 55.8 -18.2 12 12 L S E -d 104 0B 44 -2,-0.5 2,-0.4 91,-0.2 93,-0.2 -0.757 17.9-179.5 -88.6 125.7 -8.1 55.4 -17.5 13 13 L A E -d 105 0B 0 91,-2.5 93,-2.5 -2,-0.5 3,-0.1 -0.986 23.6-137.7-133.9 134.0 -10.1 54.7 -20.6 14 14 L S > - 0 0 45 -2,-0.4 3,-2.3 91,-0.2 63,-0.2 -0.551 47.2 -88.1 -80.2 144.2 -13.8 54.2 -21.1 15 15 L P T 3 S+ 0 0 21 0, 0.0 63,-0.2 0, 0.0 -1,-0.1 -0.371 118.0 23.7 -55.3 124.8 -14.8 51.3 -23.5 16 16 L G T 3 S+ 0 0 17 61,-2.4 62,-0.1 1,-0.3 -2,-0.0 0.240 93.4 128.7 103.5 -12.9 -14.9 52.9 -27.0 17 17 L E < - 0 0 89 -3,-2.3 60,-3.1 59,-0.1 2,-0.6 -0.232 58.2-127.0 -73.3 162.1 -12.5 55.8 -26.3 18 18 L K + 0 0 133 58,-0.2 2,-0.3 -3,-0.1 57,-0.2 -0.959 38.3 173.1-114.1 113.4 -9.5 56.6 -28.4 19 19 L V E - B 0 74A 10 55,-1.3 55,-2.6 -2,-0.6 2,-0.3 -0.796 17.7-162.9-123.1 163.4 -6.3 56.9 -26.2 20 20 L T E - B 0 73A 62 -2,-0.3 2,-0.4 53,-0.3 53,-0.3 -0.990 2.6-160.5-144.0 148.5 -2.6 57.4 -26.7 21 21 L M E - B 0 72A 0 51,-3.1 51,-2.6 -2,-0.3 2,-0.2 -0.987 15.6-141.2-131.2 141.6 0.5 56.8 -24.5 22 22 L T E -AB 7 71A 31 -15,-2.5 -15,-1.8 -2,-0.4 2,-0.4 -0.618 10.1-163.6-106.2 163.2 3.9 58.3 -25.0 23 23 L a E -AB 6 70A 1 47,-2.4 47,-3.0 -17,-0.2 2,-0.4 -0.972 7.6-170.5-145.6 123.6 7.5 57.2 -24.6 24 24 L R E -AB 5 69A 127 -19,-2.7 -19,-3.0 -2,-0.4 2,-0.4 -0.936 9.5-148.4-119.1 142.1 10.5 59.5 -24.4 25 25 L A E -A 4 0A 12 43,-1.9 -21,-0.2 -2,-0.4 4,-0.1 -0.893 22.0-126.8-114.9 141.2 14.2 58.5 -24.5 26 26 L S S S+ 0 0 80 -23,-2.0 2,-0.3 -2,-0.4 -22,-0.1 0.684 98.5 4.1 -53.2 -22.4 17.3 60.1 -22.8 27 27 L S S S- 0 0 55 -24,-0.1 -1,-0.1 40,-0.1 -25,-0.0 -0.962 103.9 -64.2-161.1 153.5 18.9 60.2 -26.3 28 28 L S - 0 0 75 -2,-0.3 2,-0.3 1,-0.0 40,-0.2 0.010 44.8-173.6 -48.9 141.6 17.9 59.3 -29.8 29 29 L V - 0 0 4 38,-1.7 3,-0.1 1,-0.1 38,-0.1 -0.973 26.0-135.2-135.4 146.9 17.0 55.8 -30.9 30 30 L S S S+ 0 0 83 -2,-0.3 2,-0.3 1,-0.2 37,-0.1 0.807 85.1 7.2 -73.4 -34.9 16.2 54.4 -34.3 31 31 L Y - 0 0 85 35,-0.1 59,-0.5 19,-0.1 60,-0.3 -0.990 62.7-148.5-147.8 153.5 13.1 52.3 -33.4 32 32 L I E -E 89 0B 0 -2,-0.3 18,-2.6 57,-0.1 2,-0.3 -0.924 12.2-150.5-124.3 149.1 10.9 51.7 -30.4 33 33 L H E -E 88 0B 0 55,-2.8 55,-1.5 -2,-0.3 2,-0.4 -0.888 2.0-151.8-120.9 152.2 9.1 48.6 -29.4 34 34 L W E -EF 87 47B 0 13,-2.6 12,-2.4 -2,-0.3 13,-2.2 -0.981 9.5-174.5-127.4 135.0 5.9 47.9 -27.4 35 35 L F E -EF 86 45B 1 51,-1.8 51,-3.2 -2,-0.4 2,-0.5 -0.959 15.4-144.2-126.1 144.1 4.9 45.0 -25.3 36 36 L Q E -EF 85 44B 6 8,-2.3 8,-3.3 -2,-0.4 2,-0.5 -0.921 17.9-171.7-107.4 128.8 1.6 44.2 -23.6 37 37 L Q E -E 84 0B 18 47,-2.7 47,-1.5 -2,-0.5 5,-0.1 -0.888 9.7-169.6-129.5 108.5 1.7 42.5 -20.2 38 38 L K > - 0 0 50 -2,-0.5 3,-1.7 4,-0.3 45,-0.1 -0.682 47.6 -86.1 -84.6 145.0 -1.3 41.2 -18.3 39 39 L P T 3 S+ 0 0 87 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 -0.168 111.1 19.2 -55.4 142.7 -0.4 40.1 -14.7 40 40 L G T 3 S+ 0 0 93 1,-0.3 2,-0.3 -3,-0.1 -2,-0.0 0.295 112.2 90.2 82.9 -7.0 0.9 36.6 -14.1 41 41 L S S < S- 0 0 41 -3,-1.7 -1,-0.3 1,-0.0 286,-0.1 -0.757 84.0 -97.1-118.9 163.6 1.9 36.3 -17.7 42 42 L S - 0 0 25 -2,-0.3 -4,-0.3 1,-0.1 2,-0.1 -0.490 51.0 -94.0 -77.2 146.1 4.9 37.1 -19.9 43 43 L P - 0 0 1 0, 0.0 -6,-0.3 0, 0.0 -1,-0.1 -0.421 43.3-136.4 -63.7 134.8 5.0 40.4 -21.8 44 44 L K E -F 36 0B 74 -8,-3.3 -8,-2.3 -2,-0.1 2,-0.1 -0.775 16.9-110.0 -99.8 133.2 3.7 39.9 -25.4 45 45 L P E +F 35 0B 29 0, 0.0 -10,-0.2 0, 0.0 3,-0.1 -0.394 48.6 160.4 -57.4 127.1 5.2 41.4 -28.5 46 46 L W E + 0 0 25 -12,-2.4 8,-2.2 1,-0.4 2,-0.4 0.715 60.6 11.7-120.2 -46.7 2.7 44.1 -29.6 47 47 L I E -FG 34 53B 1 -13,-2.2 -13,-2.6 6,-0.2 -1,-0.4 -0.992 65.0-169.8-139.7 129.5 4.5 46.5 -31.8 48 48 L Y E > + G 0 52B 64 4,-2.0 4,-1.8 -2,-0.4 3,-0.3 -0.901 66.7 13.6-119.4 150.5 7.9 46.1 -33.4 49 49 L A T 4 S- 0 0 8 -2,-0.3 2,-2.8 271,-0.3 3,-0.3 0.929 119.6 -72.8 54.7 52.4 10.0 48.6 -35.3 50 50 L T T 4 S+ 0 0 15 -18,-2.6 -1,-0.2 -3,-0.2 21,-0.2 -0.215 128.1 27.0 65.1 -51.3 8.0 51.7 -34.2 51 51 L S T 4 S+ 0 0 69 -2,-2.8 12,-0.4 -3,-0.3 2,-0.3 0.547 88.9 104.7-121.0 -10.0 4.9 51.1 -36.4 52 52 L N E < -G 48 0B 64 -4,-1.8 -4,-2.0 -3,-0.3 2,-0.3 -0.574 59.8-133.4 -83.0 139.1 4.4 47.4 -37.2 53 53 L L E -G 47 0B 60 -2,-0.3 -6,-0.2 -6,-0.2 3,-0.1 -0.697 20.1-128.6 -89.4 136.4 1.7 45.2 -35.4 54 54 L A > - 0 0 7 -8,-2.2 3,-1.7 -2,-0.3 -1,-0.1 -0.281 47.7 -63.0 -76.1 167.5 2.7 41.8 -34.1 55 55 L S T 3 S+ 0 0 128 1,-0.3 -1,-0.2 -2,-0.0 0, 0.0 -0.242 123.3 9.9 -53.6 127.3 0.8 38.6 -34.9 56 56 L G T 3 S+ 0 0 77 1,-0.2 -1,-0.3 -3,-0.1 -2,-0.1 0.695 89.9 136.8 77.2 19.0 -2.8 38.7 -33.6 57 57 L V < - 0 0 14 -3,-1.7 -1,-0.2 -11,-0.1 -4,-0.1 -0.899 53.7-122.0-104.5 116.4 -2.7 42.4 -32.7 58 58 L P > - 0 0 45 0, 0.0 3,-2.2 0, 0.0 -4,-0.1 -0.074 18.2-112.7 -55.6 149.2 -5.9 44.2 -33.7 59 59 L V T 3 S+ 0 0 132 1,-0.3 16,-0.1 15,-0.1 -2,-0.0 0.618 107.7 80.0 -58.6 -16.2 -6.0 47.2 -36.1 60 60 L R T 3 S+ 0 0 30 14,-0.1 15,-2.9 16,-0.1 -1,-0.3 0.796 83.8 77.3 -62.3 -28.4 -7.1 49.4 -33.2 61 61 L F E < +C 74 0A 3 -3,-2.2 2,-0.3 13,-0.2 13,-0.2 -0.533 57.9 154.3 -85.2 151.3 -3.5 49.5 -32.1 62 62 L S E -C 73 0A 50 11,-0.9 11,-2.5 -2,-0.2 2,-0.3 -0.974 19.3-160.4-165.9 160.9 -0.9 51.7 -33.9 63 63 L G E +C 72 0A 9 -12,-0.4 2,-0.3 -2,-0.3 9,-0.2 -0.998 14.0 158.3-153.3 149.4 2.4 53.3 -33.1 64 64 L S E +C 71 0A 68 7,-2.0 7,-2.5 -2,-0.3 2,-0.2 -0.877 13.3 116.6-153.6-175.0 4.6 56.1 -34.5 65 65 L G E -C 70 0A 30 -2,-0.3 2,-0.3 5,-0.3 5,-0.3 -0.734 33.0-133.3 135.2 176.5 7.4 58.5 -33.5 66 66 L S E > -C 69 0A 95 3,-2.4 3,-2.6 -2,-0.2 -36,-0.1 -0.975 60.9 -10.0-160.7 165.7 11.0 59.5 -34.2 67 67 L G T 3 S- 0 0 28 -2,-0.3 -38,-1.7 1,-0.3 -40,-0.1 -0.095 129.8 -14.4 41.9-106.3 14.2 60.3 -32.5 68 68 L T T 3 S+ 0 0 63 -40,-0.2 -43,-1.9 1,-0.1 2,-0.5 0.439 123.9 74.1-108.5 1.2 13.4 60.6 -28.8 69 69 L S E < +BC 24 66A 59 -3,-2.6 -3,-2.4 -45,-0.2 2,-0.3 -0.943 54.1 157.4-122.0 117.0 9.6 60.9 -28.9 70 70 L Y E -BC 23 65A 7 -47,-3.0 -47,-2.4 -2,-0.5 2,-0.3 -0.834 14.7-165.3-129.1 167.9 7.4 57.8 -29.6 71 71 L S E -BC 22 64A 27 -7,-2.5 -7,-2.0 -2,-0.3 2,-0.4 -0.997 16.7-151.5-158.0 150.8 3.8 56.8 -29.0 72 72 L L E -BC 21 63A 0 -51,-2.6 -51,-3.1 -2,-0.3 2,-0.4 -0.955 24.8-172.5-117.7 138.9 1.3 53.9 -29.0 73 73 L T E -BC 20 62A 23 -11,-2.5 -11,-0.9 -2,-0.4 2,-0.5 -0.998 17.8-152.4-141.8 137.1 -2.3 54.7 -29.6 74 74 L I E -BC 19 61A 0 -55,-2.6 -55,-1.3 -2,-0.4 3,-0.3 -0.930 3.5-162.7-107.5 122.2 -5.6 52.7 -29.5 75 75 L S S S+ 0 0 66 -15,-2.9 2,-0.3 -2,-0.5 -1,-0.1 0.875 84.8 17.7 -73.2 -35.5 -8.3 53.9 -31.9 76 76 L R S S- 0 0 102 -58,-0.1 -1,-0.3 -16,-0.1 -58,-0.2 -0.856 82.4-140.2-140.3 98.7 -11.2 52.1 -30.1 77 77 L V - 0 0 3 -60,-3.1 -61,-2.4 -2,-0.3 2,-0.3 -0.342 24.2-174.6 -62.4 134.7 -10.5 50.9 -26.5 78 78 L E > - 0 0 42 -63,-0.2 3,-1.5 -62,-0.1 4,-0.2 -0.824 37.3-103.4-126.1 166.6 -11.9 47.5 -25.7 79 79 L A G > S+ 0 0 15 -2,-0.3 3,-1.7 1,-0.3 26,-0.2 0.900 114.2 59.9 -58.5 -45.2 -12.2 45.4 -22.5 80 80 L E G 3 S+ 0 0 79 1,-0.3 -1,-0.3 88,-0.1 87,-0.1 0.408 88.5 78.7 -68.1 6.9 -9.3 43.0 -23.3 81 81 L D G < + 0 0 2 -3,-1.5 -1,-0.3 86,-0.1 22,-0.2 0.619 59.1 119.0 -89.7 -13.5 -6.9 45.9 -23.5 82 82 L A < + 0 0 12 -3,-1.7 2,-0.3 -4,-0.2 22,-0.2 -0.305 46.9 90.5 -53.2 129.4 -6.5 46.3 -19.7 83 83 L A E S- H 0 103B 5 20,-1.4 20,-3.5 -45,-0.1 2,-0.4 -0.938 80.3 -76.6 163.7 178.0 -2.8 45.8 -19.0 84 84 L T E -EH 37 102B 29 -47,-1.5 -47,-2.7 -2,-0.3 2,-0.5 -0.875 39.9-150.0-101.4 137.0 0.5 47.5 -18.6 85 85 L Y E -EH 36 101B 0 16,-2.4 16,-2.1 -2,-0.4 2,-0.4 -0.944 12.9-149.5-109.1 131.5 2.1 48.5 -21.9 86 86 L Y E -E 35 0B 28 -51,-3.2 -51,-1.8 -2,-0.5 2,-0.2 -0.865 4.9-142.2-110.6 136.6 5.9 48.6 -22.0 87 87 L a E -E 34 0B 0 -2,-0.4 11,-2.9 -53,-0.2 2,-0.3 -0.551 24.9-176.8 -84.9 149.2 8.3 50.7 -24.0 88 88 L Q E -EI 33 97B 0 -55,-1.5 -55,-2.8 9,-0.3 2,-0.4 -0.988 12.0-163.7-153.6 144.1 11.6 49.2 -25.3 89 89 L Q E +EI 32 96B 0 7,-2.5 7,-0.8 -2,-0.3 -57,-0.1 -0.966 16.2 179.7-132.1 143.6 14.7 50.1 -27.2 90 90 L W + 0 0 23 -59,-0.5 789,-0.2 -2,-0.4 230,-0.1 0.408 63.5 95.5-114.7 -5.1 17.6 48.3 -29.1 91 91 L T S S+ 0 0 67 -60,-0.3 2,-0.3 3,-0.1 -1,-0.1 0.813 87.9 39.5 -59.9 -31.7 19.7 51.2 -30.2 92 92 L S S S- 0 0 23 2,-0.1 4,-0.1 4,-0.1 -90,-0.1 -0.909 91.4 -99.6-122.1 151.6 22.1 51.0 -27.3 93 93 L N S S+ 0 0 52 -2,-0.3 784,-0.1 1,-0.2 -3,-0.1 -0.943 110.0 47.4-106.2 127.3 23.6 48.1 -25.4 94 94 L P S S- 0 0 18 0, 0.0 -92,-0.4 0, 0.0 -1,-0.2 0.322 95.4-140.2 -76.5 137.5 22.3 47.4 -22.8 95 95 L P - 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