==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-JAN-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER IMMUNE SYSTEM 10-JUN-10 3NFS . COMPND 2 MOLECULE: HEAVY CHAIN OF FAB FRAGMENT OF DACLIZUMAB; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR H.YANG,J.WANG,J.DU,C.ZHONG,Y.GUO,J.DING . 421 3 4 4 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 19550.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 279 66.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 11 2.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 168 39.9 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 5 1.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), 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 . 2 0.5 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 . 52 12.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 30 7.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 12 2.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 1.0 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 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 0 0 RESIDUES PER ALPHA HELIX . 1 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 . 5 6 3 3 4 8 1 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 4 2 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 D 0 0 126 0, 0.0 2,-0.5 0, 0.0 94,-0.1 0.000 360.0 360.0 360.0-176.8 28.7 5.5 8.2 2 2 L I - 0 0 17 92,-0.4 2,-0.3 87,-0.1 87,-0.1 -0.766 360.0-172.4 -99.2 120.5 29.4 9.0 9.5 3 3 L Q - 0 0 94 -2,-0.5 23,-1.0 93,-0.1 2,-0.5 -0.792 11.6-150.1-111.6 148.8 30.6 11.7 7.2 4 4 L M E -A 25 0A 6 93,-0.4 95,-1.1 -2,-0.3 2,-0.5 -0.976 2.4-157.7-123.1 119.4 31.9 15.3 7.8 5 5 L T E -A 24 0A 82 19,-2.2 19,-3.3 -2,-0.5 2,-0.3 -0.822 20.0-148.6 -87.5 125.5 31.6 18.1 5.3 6 6 L Q E -A 23 0A 2 -2,-0.5 17,-0.2 17,-0.2 3,-0.1 -0.691 13.3-111.0 -97.4 151.3 34.2 20.8 6.0 7 7 L S E S+A 22 0A 61 15,-2.5 15,-2.9 -2,-0.3 2,-0.1 -0.998 89.7 14.9-132.8 131.3 33.8 24.5 5.4 8 8 L P - 0 0 43 0, 0.0 -1,-0.2 0, 0.0 3,-0.1 0.707 63.6-155.4 -87.1 167.5 35.3 26.0 3.4 9 9 L S S S+ 0 0 72 1,-0.2 93,-2.7 92,-0.2 2,-0.4 0.949 87.6 13.8 -59.4 -48.9 36.9 23.6 0.9 10 10 L T E S-d 102 0B 81 91,-0.2 2,-0.4 93,-0.0 -1,-0.2 -0.989 70.3-173.2-134.8 140.1 39.5 26.1 0.0 11 11 L L E -d 103 0B 48 91,-3.0 93,-3.2 -2,-0.4 2,-0.5 -0.999 12.6-156.1-137.7 131.2 40.5 29.4 1.8 12 12 L S E +d 104 0B 62 -2,-0.4 2,-0.3 91,-0.2 93,-0.2 -0.946 31.1 162.9-106.1 120.9 42.9 32.1 0.8 13 13 L A E -d 105 0B 4 91,-2.4 93,-1.4 -2,-0.5 2,-0.3 -0.977 32.4-125.1-144.7 154.3 44.2 34.1 3.8 14 14 L S > - 0 0 40 -2,-0.3 3,-1.9 91,-0.2 63,-0.3 -0.648 45.2 -84.3 -97.2 150.9 47.0 36.5 4.9 15 15 L V T 3 S+ 0 0 87 -2,-0.3 63,-0.2 1,-0.3 -1,-0.1 -0.323 117.3 27.8 -50.4 121.9 49.4 36.1 7.8 16 16 L G T 3 S+ 0 0 38 61,-1.6 -1,-0.3 1,-0.3 62,-0.1 0.355 90.7 134.8 102.8 -2.5 47.6 37.3 11.0 17 17 L D < - 0 0 70 -3,-1.9 60,-1.7 59,-0.1 2,-0.7 -0.257 61.1-113.6 -74.0 162.6 44.1 36.5 9.9 18 18 L R - 0 0 163 58,-0.2 2,-0.5 59,-0.0 57,-0.2 -0.905 34.9-161.8 -96.2 112.4 41.3 34.8 12.0 19 19 L V E - B 0 74A 5 55,-3.5 55,-2.5 -2,-0.7 2,-0.5 -0.863 9.7-173.2-103.5 128.1 40.6 31.5 10.3 20 20 L T E - B 0 73A 77 -2,-0.5 2,-0.5 53,-0.2 53,-0.2 -0.949 2.7-174.2-123.3 109.9 37.4 29.6 11.1 21 21 L I E - B 0 72A 0 51,-3.2 51,-2.6 -2,-0.5 2,-0.3 -0.917 12.0-149.0-110.0 125.8 37.0 26.1 9.6 22 22 L T E -AB 7 71A 39 -15,-2.9 -15,-2.5 -2,-0.5 2,-0.5 -0.719 8.5-164.2 -97.8 138.9 33.6 24.2 10.0 23 23 L a E -AB 6 70A 0 47,-3.6 47,-2.5 -2,-0.3 2,-0.7 -0.947 8.2-169.5-122.3 108.2 33.1 20.5 10.4 24 24 L S E -AB 5 69A 38 -19,-3.3 -19,-2.2 -2,-0.5 45,-0.2 -0.852 7.6-158.2-103.9 104.0 29.5 19.4 9.8 25 25 L A E -A 4 0A 13 43,-2.0 -21,-0.2 -2,-0.7 3,-0.1 -0.282 16.6-136.5 -76.6 163.2 28.8 15.7 10.7 26 26 L S S S+ 0 0 82 -23,-1.0 2,-0.3 1,-0.2 -1,-0.1 0.638 85.1 17.5 -98.5 -16.7 25.8 13.8 9.2 27 27 L S S S- 0 0 62 -24,-0.2 -1,-0.2 40,-0.1 -2,-0.0 -0.961 103.6 -64.5-150.3 161.0 24.8 12.2 12.5 28 28 L S + 0 0 89 -2,-0.3 2,-0.3 -3,-0.1 40,-0.2 -0.155 53.2 177.1 -53.4 130.0 25.4 12.7 16.2 29 29 L I - 0 0 6 38,-2.3 38,-0.4 1,-0.1 3,-0.1 -0.977 27.6-143.5-134.4 151.5 28.9 12.2 17.3 30 30 L S S S+ 0 0 70 -2,-0.3 2,-0.3 1,-0.2 37,-0.2 0.938 76.9 12.3 -79.4 -50.6 30.6 12.7 20.8 31 31 L Y - 0 0 112 35,-0.1 59,-0.4 19,-0.0 2,-0.4 -0.939 57.7-153.5-133.5 152.8 34.1 14.1 20.0 32 32 L M - 0 0 0 -2,-0.3 18,-3.4 33,-0.1 2,-0.3 -0.948 7.1-163.8-124.5 147.2 36.0 15.6 17.1 33 33 L H E -E 88 0B 2 55,-1.9 55,-3.9 -2,-0.4 2,-0.4 -0.898 8.7-146.0-126.1 155.0 39.7 15.7 16.4 34 34 L W E -EF 87 47B 0 13,-2.2 12,-2.3 -2,-0.3 13,-1.6 -0.989 11.9-171.9-129.1 132.1 41.7 17.8 14.0 35 35 L Y E -EF 86 45B 0 51,-3.6 51,-2.2 -2,-0.4 2,-0.4 -0.829 11.5-147.4-115.1 157.6 44.7 17.0 12.0 36 36 L Q E -EF 85 44B 9 8,-2.3 8,-3.1 -2,-0.3 2,-0.4 -0.957 16.3-170.4-119.5 143.1 47.0 19.1 9.8 37 37 L Q E -E 84 0B 6 47,-3.2 47,-3.3 -2,-0.4 5,-0.1 -0.999 11.1-166.8-137.8 139.4 48.8 17.8 6.7 38 38 L K > - 0 0 52 -2,-0.4 3,-1.7 45,-0.2 45,-0.1 -0.970 49.7 -76.2-119.4 139.9 51.5 19.1 4.4 39 39 L P T 3 S+ 0 0 90 0, 0.0 3,-0.1 0, 0.0 -1,-0.1 0.058 117.2 11.2 -36.3 124.6 52.4 17.5 1.0 40 40 L G T 3 S+ 0 0 78 1,-0.3 2,-0.3 -3,-0.0 -3,-0.0 0.549 108.8 102.1 81.5 9.7 54.4 14.3 1.4 41 41 L K S < S- 0 0 120 -3,-1.7 -1,-0.3 3,-0.0 3,-0.1 -0.889 75.7-111.6-122.4 153.0 53.9 13.9 5.2 42 42 L A - 0 0 28 -2,-0.3 -4,-0.2 1,-0.1 277,-0.1 -0.602 55.2 -94.1 -71.1 142.0 51.7 11.9 7.5 43 43 L P - 0 0 4 0, 0.0 2,-0.4 0, 0.0 -6,-0.2 -0.203 35.4-131.3 -62.2 154.4 49.2 14.2 9.2 44 44 L K E -F 36 0B 118 -8,-3.1 -8,-2.3 -3,-0.1 2,-0.3 -0.874 16.1-120.3-105.3 138.6 49.8 15.8 12.6 45 45 L L E +F 35 0B 18 -2,-0.4 -10,-0.2 272,-0.3 3,-0.1 -0.627 40.4 157.6 -75.1 132.1 47.4 15.8 15.6 46 46 L L E + 0 0 4 -12,-2.3 8,-2.0 1,-0.4 2,-0.5 0.646 65.7 29.5-118.9 -50.7 46.5 19.3 16.7 47 47 L I E -FG 34 53B 0 -13,-1.6 -13,-2.2 6,-0.2 -1,-0.4 -0.980 63.9-173.4-121.1 126.2 43.2 18.9 18.5 48 48 L Y E > + G 0 52B 90 4,-3.1 4,-2.1 -2,-0.5 3,-0.4 -0.892 68.1 8.6-114.2 154.4 42.0 15.8 20.4 49 49 L T T 4 S- 0 0 31 -2,-0.3 2,-2.9 1,-0.2 3,-0.4 0.918 122.9 -65.2 35.7 70.3 38.6 15.3 21.9 50 50 L T T 4 S+ 0 0 23 -18,-3.4 -1,-0.2 1,-0.2 21,-0.1 -0.226 129.8 15.7 66.5 -50.4 36.8 18.4 20.5 51 51 L S T 4 S+ 0 0 69 -2,-2.9 2,-0.5 -3,-0.4 12,-0.3 0.373 89.4 113.1-138.7 2.1 38.8 21.1 22.3 52 52 L N E < -G 48 0B 70 -4,-2.1 -4,-3.1 -3,-0.4 2,-0.2 -0.730 56.8-134.7 -91.8 125.6 42.1 19.7 23.8 53 53 L L E -G 47 0B 68 -2,-0.5 -6,-0.2 -6,-0.2 2,-0.2 -0.531 16.3-129.1 -75.9 138.8 45.5 20.9 22.4 54 54 L A > - 0 0 16 -8,-2.0 3,-1.5 -2,-0.2 -1,-0.1 -0.524 42.2 -79.4 -81.4 154.3 48.2 18.3 21.7 55 55 L S T 3 S+ 0 0 124 1,-0.2 -1,-0.1 -2,-0.2 0, 0.0 -0.219 115.2 15.2 -56.1 139.0 51.7 18.8 23.1 56 56 L G T 3 S+ 0 0 84 1,-0.3 -1,-0.2 -3,-0.1 -10,-0.0 0.068 92.0 126.8 87.4 -24.8 53.9 21.3 21.1 57 57 L V < - 0 0 15 -3,-1.5 -1,-0.3 -11,-0.1 -4,-0.0 -0.509 65.6-112.3 -71.3 126.8 50.9 22.7 19.2 58 58 L P > - 0 0 47 0, 0.0 3,-1.7 0, 0.0 -1,-0.1 -0.236 17.6-120.3 -62.4 148.6 50.7 26.5 19.5 59 59 L A T 3 S+ 0 0 90 1,-0.3 16,-0.1 -6,-0.1 -2,-0.0 0.319 101.1 85.4 -77.7 9.2 47.8 28.2 21.4 60 60 L R T 3 S+ 0 0 61 14,-0.1 15,-1.9 16,-0.1 2,-0.4 0.599 80.4 79.1 -77.6 -13.8 46.6 30.0 18.2 61 61 L F E < +C 74 0A 5 -3,-1.7 2,-0.3 13,-0.2 13,-0.2 -0.815 59.5 161.5 -93.5 133.1 44.8 26.8 17.5 62 62 L S E -C 73 0A 62 11,-1.8 11,-2.6 -2,-0.4 2,-0.3 -0.979 18.6-157.4-144.2 157.9 41.5 26.1 19.2 63 63 L G E +C 72 0A 10 -12,-0.3 2,-0.3 -2,-0.3 9,-0.2 -0.965 17.0 157.3-133.7 154.3 38.5 23.8 18.7 64 64 L S E +C 71 0A 63 7,-2.1 7,-2.5 -2,-0.3 2,-0.1 -0.944 17.4 87.1-158.4 179.9 34.9 23.8 19.8 65 65 L G E -C 70 0A 38 -2,-0.3 2,-0.3 5,-0.3 5,-0.2 -0.386 38.7-138.9 111.8 172.2 31.3 22.5 19.1 66 66 L S E > +C 69 0A 91 3,-1.2 3,-2.2 -2,-0.1 2,-1.1 -0.951 63.3 21.1-157.8 170.1 29.1 19.6 19.8 67 67 L G T 3 S- 0 0 30 -38,-0.4 -38,-2.3 -2,-0.3 -40,-0.1 -0.496 131.1 -26.0 72.0 -96.1 26.4 17.2 18.3 68 68 L T T 3 S+ 0 0 51 -2,-1.1 -43,-2.0 -40,-0.2 2,-0.5 0.226 122.7 83.7-131.2 10.3 27.1 17.6 14.5 69 69 L E E < +BC 24 66A 93 -3,-2.2 -3,-1.2 -45,-0.2 2,-0.4 -0.921 50.3 162.2-124.8 108.9 28.7 21.1 14.4 70 70 L F E -BC 23 65A 1 -47,-2.5 -47,-3.6 -2,-0.5 2,-0.3 -0.954 14.5-163.3-128.8 143.4 32.4 21.5 15.2 71 71 L T E -BC 22 64A 32 -7,-2.5 -7,-2.1 -2,-0.4 2,-0.4 -0.936 11.9-157.2-127.5 149.7 34.9 24.3 14.4 72 72 L L E -BC 21 63A 0 -51,-2.6 -51,-3.2 -2,-0.3 2,-0.4 -0.988 18.5-165.0-117.3 134.7 38.6 24.9 14.3 73 73 L T E -BC 20 62A 22 -11,-2.6 -11,-1.8 -2,-0.4 2,-0.6 -0.974 18.6-167.4-123.9 129.0 39.9 28.4 14.7 74 74 L I E -BC 19 61A 0 -55,-2.5 -55,-3.5 -2,-0.4 3,-0.3 -0.967 11.9-169.3-106.3 110.5 43.3 29.9 14.0 75 75 L S S S+ 0 0 48 -15,-1.9 2,-0.4 -2,-0.6 -1,-0.1 0.842 78.5 20.2 -72.6 -36.9 43.1 33.3 15.8 76 76 L S S S- 0 0 51 -16,-0.2 -1,-0.3 -3,-0.1 -58,-0.2 -0.894 87.3-135.6-136.6 105.3 46.3 34.7 14.2 77 77 L L - 0 0 0 -60,-1.7 -61,-1.6 -2,-0.4 -60,-0.1 -0.330 23.1-168.3 -66.6 135.6 47.5 32.9 11.0 78 78 L Q > - 0 0 69 -63,-0.2 3,-1.0 -62,-0.1 4,-0.3 -0.711 35.4-106.5-121.2 169.2 51.2 32.1 10.7 79 79 L P G > S+ 0 0 92 0, 0.0 3,-0.9 0, 0.0 -1,-0.1 0.839 117.5 56.3 -68.0 -30.4 53.5 30.9 7.8 80 80 L D G 3 S+ 0 0 88 1,-0.2 -3,-0.0 3,-0.0 0, 0.0 0.649 95.1 69.2 -70.7 -17.1 53.7 27.4 9.2 81 81 L D G < + 0 0 0 -3,-1.0 2,-0.7 2,-0.0 -1,-0.2 0.579 65.1 109.1 -85.4 -10.5 49.9 27.0 9.2 82 82 L F < + 0 0 38 -3,-0.9 2,-0.3 -4,-0.3 22,-0.1 -0.595 57.4 89.9 -70.7 111.4 49.6 27.0 5.4 83 83 L A S S- 0 0 9 -2,-0.7 20,-2.2 20,-0.5 2,-0.3 -0.916 81.9 -66.2-177.9-176.4 48.6 23.3 4.9 84 84 L T E -EH 37 102B 23 -47,-3.3 -47,-3.2 -2,-0.3 2,-0.4 -0.763 41.9-155.5 -97.8 151.9 45.6 21.0 4.7 85 85 L Y E -EH 36 101B 0 16,-1.0 16,-1.2 -2,-0.3 2,-0.4 -0.993 8.0-170.9-133.6 129.2 43.3 20.4 7.7 86 86 L Y E -E 35 0B 7 -51,-2.2 -51,-3.6 -2,-0.4 2,-0.3 -0.951 15.6-142.0-122.3 136.6 41.1 17.4 8.4 87 87 L a E -E 34 0B 0 -2,-0.4 11,-3.6 -53,-0.2 2,-0.4 -0.758 24.3-150.9 -90.1 144.7 38.5 16.8 11.1 88 88 L H E -EI 33 97B 0 -55,-3.9 -55,-1.9 -2,-0.3 2,-0.5 -0.968 14.1-159.4-130.8 130.6 38.4 13.2 12.5 89 89 L Q E + I 0 96B 0 7,-3.1 7,-1.9 -2,-0.4 -57,-0.1 -0.920 18.6 163.9-107.0 123.9 35.7 11.1 14.0 90 90 L R + 0 0 86 -2,-0.5 5,-0.1 -59,-0.4 -1,-0.1 0.064 56.4 81.6-128.2 20.0 36.9 8.1 16.2 91 91 L S S S+ 0 0 52 -60,-0.2 2,-0.3 3,-0.1 -1,-0.1 0.363 90.9 39.2-116.7 1.6 33.7 7.2 18.1 92 92 L T S S- 0 0 48 2,-0.1 4,-0.1 -3,-0.1 -1,-0.1 -0.975 95.3 -77.5-141.7 152.8 31.9 5.0 15.6 93 93 L Y S S+ 0 0 125 -2,-0.3 2,-0.1 1,-0.1 -3,-0.1 -0.823 110.6 42.1 -94.7 141.0 33.1 2.4 13.1 94 94 L P S S- 0 0 10 0, 0.0 -92,-0.4 0, 0.0 -3,-0.1 0.605 90.9-132.8 -75.2 150.8 34.4 3.0 10.6 95 95 L L - 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