==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=24-JUL-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER IMMUNE SYSTEM 29-MAY-09 3HMW . COMPND 2 MOLECULE: USTEKINUMAB FAB LIGHT CHAIN; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR J.LUO . 432 3 4 4 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 19768.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 291 67.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 12 2.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 169 39.1 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 6 1.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.5 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 . 1 0.2 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 . 51 11.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 36 8.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 14 3.2 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 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 RESIDUES PER ALPHA HELIX . 1 0 1 0 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 . 3 5 6 2 5 5 3 0 2 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 5 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 D 0 0 100 0, 0.0 2,-0.5 0, 0.0 95,-0.1 0.000 360.0 360.0 360.0 160.7 55.7 -2.0 -1.7 2 2 L I - 0 0 3 93,-0.5 2,-0.5 91,-0.3 88,-0.2 -0.651 360.0-138.7 -84.3 125.4 56.1 -4.6 1.1 3 3 L Q - 0 0 105 -2,-0.5 23,-2.0 2,-0.0 2,-0.6 -0.713 11.0-157.3 -87.1 124.3 59.4 -4.5 3.0 4 4 L M E -A 25 0A 6 94,-0.6 2,-0.6 -2,-0.5 96,-0.2 -0.886 8.8-171.5-100.8 122.9 61.0 -7.8 3.9 5 5 L T E -A 24 0A 53 19,-2.6 19,-1.7 -2,-0.6 2,-0.1 -0.897 2.6-169.1-121.3 105.1 63.4 -7.7 6.8 6 6 L Q E -A 23 0A 5 -2,-0.6 17,-0.2 17,-0.2 94,-0.1 -0.399 18.5-118.3 -83.7 164.9 65.5 -10.8 7.6 7 7 L S E S+A 22 0A 49 15,-1.8 15,-2.5 -2,-0.1 2,-0.2 -0.929 76.9 27.1-167.2 142.3 67.6 -11.3 10.7 8 8 L P - 0 0 53 0, 0.0 3,-0.1 0, 0.0 -1,-0.1 0.616 66.5-142.4 -70.0 177.6 70.3 -11.8 11.7 9 9 L S S S- 0 0 86 1,-0.3 94,-2.0 -2,-0.2 2,-0.3 0.733 86.7 -6.2 -74.1 -24.2 72.3 -10.1 8.9 10 10 L S E -d 103 0B 64 92,-0.3 -1,-0.3 75,-0.0 2,-0.3 -0.952 67.4-174.8-165.3 150.5 74.8 -12.9 9.4 11 11 L L E -d 104 0B 38 92,-2.6 94,-2.1 -2,-0.3 2,-0.4 -0.995 15.6-140.8-150.1 152.2 75.4 -15.9 11.7 12 12 L S E +d 105 0B 43 -2,-0.3 2,-0.3 92,-0.2 94,-0.2 -0.948 24.0 173.3-116.5 135.9 78.0 -18.6 12.3 13 13 L A E -d 106 0B 9 92,-1.9 94,-2.2 -2,-0.4 3,-0.1 -1.000 28.8-118.4-144.7 141.0 77.1 -22.2 13.2 14 14 L S E > -d 107 0B 41 -2,-0.3 3,-1.6 92,-0.2 64,-0.2 -0.369 46.7 -88.1 -71.9 154.0 79.0 -25.5 13.6 15 15 L V T 3 S+ 0 0 72 92,-0.8 64,-0.2 1,-0.2 -1,-0.1 -0.375 114.5 29.5 -60.8 137.6 78.3 -28.5 11.4 16 16 L G T 3 S+ 0 0 47 62,-2.7 -1,-0.2 1,-0.4 2,-0.1 0.367 94.3 119.0 91.8 -4.5 75.5 -30.6 12.8 17 17 L D < - 0 0 67 -3,-1.6 61,-3.2 61,-0.1 2,-0.4 -0.426 67.7-116.2 -83.0 164.7 73.7 -27.7 14.5 18 18 L R - 0 0 165 59,-0.2 2,-0.3 -2,-0.1 58,-0.2 -0.889 32.9-161.3 -97.7 137.2 70.2 -26.5 13.7 19 19 L V E - B 0 75A 5 56,-2.5 56,-2.4 -2,-0.4 2,-0.4 -0.906 6.5-162.4-120.7 149.5 70.1 -23.0 12.4 20 20 L T E - B 0 74A 61 -2,-0.3 2,-0.4 54,-0.2 54,-0.2 -0.925 5.2-174.3-140.1 112.5 67.2 -20.6 12.2 21 21 L I E - B 0 73A 1 52,-2.3 52,-2.3 -2,-0.4 2,-0.3 -0.811 16.0-149.5 -98.5 142.2 66.8 -17.5 10.0 22 22 L T E -AB 7 72A 60 -15,-2.5 -15,-1.8 -2,-0.4 2,-0.3 -0.811 10.7-169.7-114.0 158.9 63.8 -15.2 10.5 23 23 L a E -AB 6 71A 1 48,-2.9 48,-2.8 -2,-0.3 2,-0.4 -0.955 4.0-169.8-150.2 120.4 61.9 -13.0 8.0 24 24 L R E -AB 5 70A 148 -19,-1.7 -19,-2.6 -2,-0.3 2,-0.4 -0.940 11.7-143.4-122.8 138.4 59.3 -10.4 8.8 25 25 L A E -A 4 0A 7 44,-2.5 -21,-0.2 -2,-0.4 4,-0.1 -0.798 14.1-138.9-102.7 137.0 57.0 -8.5 6.4 26 26 L S S S+ 0 0 74 -23,-2.0 2,-0.3 -2,-0.4 -1,-0.1 0.744 94.4 27.1 -62.6 -24.7 55.9 -4.8 6.9 27 27 L Q S S- 0 0 98 -24,-0.2 2,-0.1 41,-0.1 -2,-0.1 -0.921 105.6 -78.3-133.1 161.1 52.5 -5.9 5.8 28 28 L G + 0 0 48 -2,-0.3 41,-0.2 1,-0.1 3,-0.1 -0.372 42.8 173.0 -59.3 131.2 50.5 -9.1 6.0 29 29 L I > - 0 0 0 39,-2.7 3,-2.0 1,-0.3 2,-0.4 0.211 28.0-144.4-126.2 11.9 51.5 -11.5 3.2 30 30 L S T 3 - 0 0 67 38,-0.3 38,-2.4 1,-0.3 -1,-0.3 -0.450 66.2 -41.3 64.9-114.3 49.6 -14.6 4.2 31 31 L S T 3 S+ 0 0 43 -2,-0.4 2,-2.3 36,-0.2 -1,-0.3 0.156 101.2 120.9-128.7 12.6 51.8 -17.6 3.3 32 32 L W < + 0 0 95 -3,-2.0 59,-2.4 18,-0.2 2,-0.4 -0.386 43.3 123.1 -79.9 63.5 53.0 -16.2 -0.0 33 33 L L E -E 90 0B 0 -2,-2.3 18,-2.6 57,-0.2 2,-0.3 -0.964 39.4-167.5-125.4 143.1 56.7 -16.3 1.0 34 34 L A E -E 89 0B 0 55,-2.5 55,-2.5 -2,-0.4 2,-0.4 -0.920 10.5-144.9-126.5 154.9 59.7 -18.1 -0.6 35 35 L W E -EF 88 48B 0 13,-2.5 12,-2.5 -2,-0.3 13,-1.4 -0.970 15.2-167.2-119.0 134.8 63.2 -18.8 0.5 36 36 L Y E -EF 87 46B 0 51,-3.7 51,-1.5 -2,-0.4 2,-0.5 -0.883 11.6-145.2-118.5 152.1 66.2 -18.9 -1.8 37 37 L Q E -EF 86 45B 7 8,-3.2 8,-3.2 -2,-0.3 2,-0.5 -0.971 14.7-174.7-114.3 127.2 69.8 -20.1 -1.4 38 38 L Q E -E 85 0B 13 47,-1.8 47,-2.3 -2,-0.5 5,-0.1 -0.940 4.2-166.3-125.7 112.0 72.7 -18.3 -3.0 39 39 L K > - 0 0 73 -2,-0.5 3,-2.2 4,-0.4 45,-0.1 -0.709 43.7 -80.2 -89.9 145.9 76.2 -19.7 -2.8 40 40 L P T 3 S+ 0 0 36 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 -0.083 116.9 10.6 -46.0 135.9 79.1 -17.5 -3.8 41 41 L E T 3 S+ 0 0 182 1,-0.2 2,-0.3 -3,-0.1 -2,-0.0 0.527 114.9 101.6 70.8 6.4 79.7 -17.2 -7.6 42 42 L K S < S- 0 0 130 -3,-2.2 -1,-0.2 3,-0.0 3,-0.1 -0.792 74.4-111.3-120.5 162.3 76.4 -18.9 -8.1 43 43 L A - 0 0 26 -2,-0.3 -4,-0.4 1,-0.1 283,-0.1 -0.528 52.5 -82.4 -82.6 157.6 72.8 -17.9 -9.1 44 44 L P - 0 0 5 0, 0.0 2,-0.4 0, 0.0 -6,-0.2 -0.287 40.7-149.7 -62.8 145.7 70.0 -18.2 -6.4 45 45 L K E -F 37 0B 92 -8,-3.2 -8,-3.2 278,-0.1 2,-0.4 -0.935 16.6-120.5-116.4 139.2 68.4 -21.6 -5.9 46 46 L S E +F 36 0B 9 276,-0.4 -10,-0.2 -2,-0.4 3,-0.1 -0.672 37.9 161.2 -83.8 129.0 64.8 -22.1 -4.8 47 47 L L E + 0 0 0 -12,-2.5 8,-3.0 -2,-0.4 2,-0.3 0.800 60.5 10.8-107.2 -54.2 64.3 -24.0 -1.5 48 48 L I E -FG 35 54B 0 -13,-1.4 -13,-2.5 6,-0.2 -1,-0.4 -0.960 54.6-179.9-138.2 146.8 60.9 -23.2 -0.2 49 49 L Y E > + G 0 53B 35 4,-1.9 4,-1.7 -2,-0.3 3,-0.4 -0.909 66.4 32.5-140.2 167.2 57.6 -21.6 -1.4 50 50 L A T 4 S- 0 0 21 -2,-0.3 2,-2.3 1,-0.3 -18,-0.2 0.893 122.1 -76.4 47.8 43.0 54.2 -20.9 0.1 51 51 L A T 4 S+ 0 0 3 -18,-2.6 -1,-0.3 1,-0.2 21,-0.1 -0.190 124.6 22.7 74.0 -47.1 55.9 -20.5 3.5 52 52 L S T 4 S+ 0 0 83 -2,-2.3 12,-0.4 -3,-0.4 2,-0.4 0.551 85.1 110.2-133.9 -13.6 56.4 -24.2 4.1 53 53 L S E < -G 49 0B 34 -4,-1.7 -4,-1.9 -3,-0.2 2,-0.3 -0.583 60.8-129.9 -82.0 129.3 56.5 -26.4 1.0 54 54 L L E -G 48 0B 66 -2,-0.4 -6,-0.2 -6,-0.2 2,-0.2 -0.559 25.0-115.7 -76.4 132.7 59.8 -27.9 -0.0 55 55 L Q > - 0 0 14 -8,-3.0 3,-2.2 -2,-0.3 2,-0.2 -0.465 40.9 -91.7 -67.6 136.9 60.8 -27.5 -3.7 56 56 L S T 3 S+ 0 0 116 1,-0.2 -1,-0.1 -2,-0.2 0, 0.0 -0.303 113.7 21.8 -48.7 110.3 61.0 -30.6 -5.7 57 57 L G T 3 S+ 0 0 76 1,-0.3 -1,-0.2 -2,-0.2 -2,-0.0 0.275 89.1 117.0 116.8 -10.6 64.7 -31.7 -5.4 58 58 L V S < S- 0 0 12 -3,-2.2 -1,-0.3 -11,-0.2 4,-0.1 -0.767 71.1 -94.9 -97.7 138.2 66.0 -30.0 -2.2 59 59 L P > - 0 0 47 0, 0.0 3,-1.7 0, 0.0 -1,-0.1 -0.023 28.5-120.1 -49.3 144.4 67.2 -32.0 0.9 60 60 L S T 3 S+ 0 0 112 1,-0.3 16,-0.1 -6,-0.1 -2,-0.0 0.596 101.9 82.6 -64.5 -11.8 64.8 -32.7 3.7 61 61 L R T 3 S+ 0 0 45 14,-0.1 15,-2.2 16,-0.1 2,-0.4 0.622 78.6 80.9 -73.2 -11.0 67.0 -30.8 6.2 62 62 L F E < +C 75 0A 7 -3,-1.7 2,-0.3 13,-0.2 13,-0.2 -0.782 57.3 158.4 -94.7 139.5 65.5 -27.5 5.0 63 63 L S E -C 74 0A 55 11,-2.1 11,-3.3 -2,-0.4 2,-0.3 -0.974 22.7-155.6-152.9 163.8 62.1 -26.4 6.3 64 64 L G E +C 73 0A 8 -12,-0.4 9,-0.2 -2,-0.3 2,-0.1 -0.896 12.2 174.5-152.5 117.7 60.1 -23.2 6.7 65 65 L S E +C 72 0A 66 7,-2.0 7,-1.4 -2,-0.3 -14,-0.0 -0.315 30.4 86.7-104.5-169.7 57.3 -22.3 9.1 66 66 L G E -C 71 0A 32 5,-0.2 2,-0.3 -2,-0.1 5,-0.2 0.132 39.9-157.2 96.9 150.5 55.4 -19.1 9.8 67 67 L S E > +C 70 0A 82 3,-0.9 2,-1.5 -35,-0.0 3,-1.3 -0.952 59.3 15.8-153.0 168.1 52.4 -17.3 8.4 68 68 L G T 3 S- 0 0 28 -38,-2.4 -39,-2.7 -2,-0.3 -38,-0.3 -0.486 129.4 -16.5 70.6 -90.1 50.9 -13.8 8.2 69 69 L T T 3 S+ 0 0 52 -2,-1.5 -44,-2.5 1,-0.2 2,-0.5 0.557 123.8 61.1-129.8 -18.0 53.8 -11.5 9.0 70 70 L D E < +BC 24 67A 104 -3,-1.3 -3,-0.9 -46,-0.2 2,-0.3 -0.973 58.0 172.0-121.8 127.1 56.5 -13.5 10.6 71 71 L F E -BC 23 66A 3 -48,-2.8 -48,-2.9 -2,-0.5 2,-0.4 -0.932 12.3-160.9-131.9 153.5 58.3 -16.4 8.9 72 72 L T E -BC 22 65A 27 -7,-1.4 -7,-2.0 -2,-0.3 2,-0.5 -0.992 8.2-151.4-140.8 133.7 61.3 -18.6 9.7 73 73 L L E -BC 21 64A 1 -52,-2.3 -52,-2.3 -2,-0.4 2,-0.4 -0.867 21.1-161.9-100.8 131.4 63.6 -20.9 7.7 74 74 L T E -BC 20 63A 14 -11,-3.3 -11,-2.1 -2,-0.5 2,-0.5 -0.908 18.9-166.9-120.7 140.4 65.2 -23.8 9.5 75 75 L I E -BC 19 62A 0 -56,-2.4 -56,-2.5 -2,-0.4 3,-0.4 -0.968 9.7-167.3-120.5 112.7 68.1 -26.1 8.7 76 76 L S S S+ 0 0 55 -15,-2.2 2,-0.6 -2,-0.5 -1,-0.2 0.947 78.9 21.8 -68.2 -54.2 68.0 -29.1 11.0 77 77 L S S S- 0 0 57 -16,-0.1 -1,-0.3 -59,-0.1 -59,-0.2 -0.808 85.9-141.9-120.2 90.5 71.5 -30.6 10.5 78 78 L L - 0 0 0 -61,-3.2 -62,-2.7 -2,-0.6 -61,-0.1 -0.204 20.0-169.5 -55.7 131.0 73.9 -27.9 9.2 79 79 L Q > - 0 0 71 -64,-0.2 3,-1.5 -63,-0.1 -1,-0.0 -0.847 33.7-111.2-120.2 159.1 76.4 -29.1 6.6 80 80 L P G > S+ 0 0 24 0, 0.0 3,-1.7 0, 0.0 26,-0.1 0.833 114.9 60.3 -57.1 -38.9 79.4 -27.4 5.1 81 81 L E G 3 S+ 0 0 73 1,-0.3 88,-0.1 88,-0.1 87,-0.1 0.692 87.7 77.2 -64.9 -16.8 77.9 -27.0 1.6 82 82 L D G < + 0 0 3 -3,-1.5 2,-0.6 86,-0.1 -1,-0.3 0.408 61.7 124.6 -76.6 3.6 75.2 -25.0 3.3 83 83 L F < + 0 0 11 -3,-1.7 2,-0.3 85,-0.1 22,-0.2 -0.551 45.1 98.3 -62.2 112.3 77.6 -22.1 3.4 84 84 L A E S- H 0 104B 0 20,-1.3 20,-3.1 -2,-0.6 2,-0.4 -0.973 74.2 -91.9-177.6 176.0 75.7 -19.4 1.6 85 85 L T E -EH 38 103B 13 -47,-2.3 -47,-1.8 -2,-0.3 2,-0.4 -0.961 38.3-146.1-113.1 134.1 73.5 -16.3 2.0 86 86 L Y E -EH 37 102B 0 16,-2.1 16,-1.4 -2,-0.4 2,-0.4 -0.844 10.4-165.1-111.4 132.4 69.7 -16.8 2.1 87 87 L Y E -E 36 0B 12 -51,-1.5 -51,-3.7 -2,-0.4 2,-0.3 -0.905 5.5-154.7-114.6 138.1 67.0 -14.6 0.8 88 88 L a E -E 35 0B 0 -2,-0.4 11,-1.7 -53,-0.3 2,-0.4 -0.731 13.2-158.5-100.4 158.5 63.3 -14.7 1.5 89 89 L Q E -EI 34 98B 0 -55,-2.5 -55,-2.5 -2,-0.3 2,-0.4 -0.985 8.7-148.3-143.7 133.6 60.7 -13.3 -1.0 90 90 L Q E +EI 33 97B 0 7,-2.6 7,-1.3 -2,-0.4 -57,-0.2 -0.767 18.1 169.8 -95.0 141.7 57.1 -12.0 -0.7 91 91 L Y + 0 0 11 -59,-2.4 3,-0.1 -2,-0.4 -58,-0.1 -0.092 48.9 104.2-139.8 37.9 54.6 -12.5 -3.5 92 92 L N S S+ 0 0 55 1,-0.3 2,-0.3 -60,-0.3 4,-0.1 0.665 93.2 14.5 -87.6 -21.7 51.4 -11.5 -1.9 93 93 L I S S- 0 0 78 2,-0.1 -1,-0.3 -91,-0.1 -91,-0.3 -0.963 97.8 -72.4-155.0 134.7 51.3 -8.1 -3.6 94 94 L Y S S+ 0 0 61 -2,-0.3 2,-0.1 -3,-0.1 -3,-0.1 -0.465 105.9 51.4 -66.4 142.6 53.2 -6.5 -6.5 95 95 L P S S- 0 0 19 0, 0.0 -93,-0.5 0, 0.0 -2,-0.1 0.535 86.0-139.6 -81.7 147.7 55.9 -5.6 -6.6 96 96 L Y - 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