==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=2-AUG-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER IMMUNE SYSTEM 15-JUL-12 4G3Y . COMPND 2 MOLECULE: INFLIXIMAB FAB L; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR S.Y.LIANG,J.X.DAI,Y.J.GUO,Z.Y.LOU . 581 3 5 5 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 25583.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 377 64.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 9 1.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 229 39.4 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 4 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 3 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 . 2 0.3 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 . 65 11.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 42 7.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 15 2.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 0.7 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 . 3 9 10 1 6 7 2 1 2 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 2 1 4 2 0 3 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 0 130 0, 0.0 95,-0.1 0, 0.0 93,-0.0 0.000 360.0 360.0 360.0 72.5 25.2 -2.5 -2.9 2 2 L I - 0 0 1 93,-0.1 2,-0.4 1,-0.1 88,-0.2 -0.005 360.0-142.3 -64.4 133.8 25.3 1.0 -1.2 3 3 L L - 0 0 107 94,-0.1 23,-2.3 2,-0.0 2,-0.5 -0.722 10.5-158.9 -95.5 135.1 28.6 2.7 -0.5 4 4 L L E -A 25 0A 3 94,-0.4 96,-0.5 -2,-0.4 2,-0.5 -0.950 1.6-159.2-118.0 122.7 29.2 4.7 2.7 5 5 L T E -A 24 0A 60 19,-3.1 19,-2.8 -2,-0.5 2,-0.6 -0.889 5.8-170.7-103.4 126.8 31.9 7.3 3.1 6 6 L Q - 0 0 11 -2,-0.5 17,-0.2 17,-0.2 -2,-0.0 -0.841 22.0-167.1-113.7 91.7 33.2 8.4 6.5 7 7 L S + 0 0 67 -2,-0.6 2,-0.2 2,-0.1 95,-0.1 -0.993 67.1 44.5-128.1 135.1 35.4 11.4 6.0 8 8 L P S S- 0 0 62 0, 0.0 14,-0.3 0, 0.0 3,-0.1 0.504 71.9-163.9 -70.0 156.5 37.3 12.7 7.8 9 9 L A S S+ 0 0 52 -2,-0.2 94,-3.2 93,-0.1 2,-0.4 0.719 74.9 43.1 -80.0 -25.7 38.7 9.3 9.0 10 10 L I E -d 103 0B 103 92,-0.2 2,-0.3 94,-0.0 94,-0.2 -0.977 62.6-178.9-124.6 137.9 40.3 10.9 12.1 11 11 L L E -d 104 0B 32 92,-2.4 94,-2.5 -2,-0.4 2,-0.4 -0.978 5.3-168.2-131.7 147.2 38.9 13.5 14.5 12 12 L S E +d 105 0B 39 -2,-0.3 2,-0.3 92,-0.2 94,-0.2 -0.952 15.4 169.4-142.8 119.9 40.7 15.0 17.5 13 13 L V E -d 106 0B 18 92,-2.5 94,-2.8 -2,-0.4 3,-0.1 -0.954 33.7-115.1-141.9 140.9 38.9 17.0 20.1 14 14 L S > - 0 0 43 -2,-0.3 3,-1.6 92,-0.2 64,-0.3 -0.483 51.2 -89.8 -73.7 147.7 39.5 18.5 23.6 15 15 L P T 3 S+ 0 0 80 0, 0.0 64,-0.2 0, 0.0 -1,-0.1 -0.220 112.4 29.2 -56.6 145.7 37.3 17.1 26.4 16 16 L G T 3 S+ 0 0 45 62,-2.8 61,-1.0 1,-0.3 63,-0.1 -0.023 98.0 110.7 93.0 -29.2 34.0 18.9 26.9 17 17 L E S < S- 0 0 103 -3,-1.6 61,-2.5 60,-0.2 2,-0.4 -0.116 71.4-108.0 -77.2 172.5 33.8 19.9 23.3 18 18 L R - 0 0 136 58,-0.2 2,-0.3 59,-0.2 58,-0.3 -0.858 30.0-163.8-105.2 135.0 31.3 18.6 20.7 19 19 L V E - B 0 75A 4 56,-2.9 56,-1.9 -2,-0.4 2,-0.4 -0.896 2.2-157.2-115.3 149.9 32.4 16.3 18.0 20 20 L S E - B 0 74A 60 -2,-0.3 2,-0.4 54,-0.2 54,-0.2 -0.988 2.8-154.9-130.1 130.7 30.6 15.4 14.8 21 21 L F E - B 0 73A 1 52,-3.3 52,-1.5 -2,-0.4 2,-0.4 -0.838 13.1-140.7-103.0 134.8 31.1 12.4 12.6 22 22 L S E + B 0 72A 29 -2,-0.4 2,-0.4 -14,-0.3 50,-0.2 -0.794 20.7 174.5 -96.2 136.3 30.2 12.3 8.9 23 23 L a E - B 0 71A 0 48,-2.1 48,-2.5 -2,-0.4 2,-0.5 -0.970 7.6-175.6-133.8 120.4 28.6 9.5 7.0 24 24 L R E -AB 5 70A 60 -19,-2.8 -19,-3.1 -2,-0.4 2,-0.3 -0.965 13.2-147.9-120.0 128.0 27.6 9.9 3.4 25 25 L A E -A 4 0A 10 44,-2.3 -21,-0.2 -2,-0.5 4,-0.1 -0.684 15.3-137.7 -89.4 142.9 25.7 7.4 1.2 26 26 L S S S+ 0 0 71 -23,-2.3 2,-0.3 -2,-0.3 -1,-0.1 0.653 90.2 19.8 -71.2 -14.4 26.4 7.1 -2.5 27 27 L Q S S- 0 0 103 -24,-0.3 -2,-0.1 41,-0.1 -1,-0.0 -0.963 105.1 -64.1-146.7 166.7 22.7 6.8 -3.0 28 28 L F + 0 0 86 -2,-0.3 41,-0.2 1,-0.1 3,-0.1 -0.224 45.2 166.2 -49.5 131.3 19.4 7.5 -1.2 29 29 L V > - 0 0 0 39,-2.3 3,-2.4 1,-0.3 62,-0.2 0.139 32.2-144.7-133.1 14.6 19.0 5.4 2.0 30 30 L G T 3 - 0 0 5 38,-0.3 38,-2.2 1,-0.3 -1,-0.3 -0.392 67.5 -39.8 56.1-121.2 16.1 7.2 3.5 31 31 L S T 3 S+ 0 0 19 469,-0.4 2,-2.1 36,-0.2 -1,-0.3 0.149 101.7 120.8-119.2 15.0 16.7 7.1 7.3 32 32 L S < + 0 0 2 -3,-2.4 59,-2.3 18,-0.2 60,-0.5 -0.317 40.2 123.5 -79.5 56.2 18.0 3.6 7.4 33 33 L I E -E 90 0B 0 -2,-2.1 18,-3.2 57,-0.2 2,-0.3 -0.975 38.9-171.3-117.7 128.3 21.5 4.6 8.8 34 34 L H E -E 89 0B 0 55,-3.4 55,-2.1 -2,-0.4 2,-0.4 -0.917 10.4-141.5-123.3 149.4 22.8 3.2 12.1 35 35 L W E -EF 88 48B 0 13,-2.3 12,-3.3 -2,-0.3 13,-0.8 -0.881 14.9-172.4-116.5 142.6 25.8 4.1 14.2 36 36 L Y E -EF 87 46B 1 51,-2.6 51,-1.7 -2,-0.4 2,-0.4 -0.952 15.2-147.0-133.1 147.5 28.3 2.0 16.2 37 37 L Q E -EF 86 45B 1 8,-2.9 8,-2.4 -2,-0.3 2,-0.4 -0.908 11.4-170.6-106.4 138.4 31.1 2.4 18.6 38 38 L Q E -E 85 0B 15 47,-2.9 47,-1.8 -2,-0.4 3,-0.1 -0.812 7.3-165.9-130.8 99.2 34.0 0.0 18.6 39 39 L R > - 0 0 73 4,-0.4 3,-1.7 -2,-0.4 45,-0.1 -0.252 44.9 -67.0 -68.5 163.1 36.5 0.4 21.6 40 40 L T T 3 S+ 0 0 66 43,-0.3 -1,-0.2 1,-0.3 3,-0.1 -0.210 121.9 2.5 -47.3 136.8 39.9 -1.3 21.6 41 41 L N T 3 S+ 0 0 173 1,-0.2 2,-0.3 -3,-0.1 -1,-0.3 0.777 114.9 114.4 52.6 27.7 39.7 -5.1 21.7 42 42 L G < - 0 0 26 -3,-1.7 -1,-0.2 -4,-0.0 3,-0.1 -0.787 66.7-117.4-123.6 166.1 36.0 -4.8 21.6 43 43 L S - 0 0 35 -2,-0.3 -4,-0.4 1,-0.1 -6,-0.1 -0.629 51.4 -76.2 -93.8 162.0 33.1 -5.6 19.3 44 44 L P - 0 0 5 0, 0.0 2,-0.4 0, 0.0 -6,-0.2 -0.246 43.6-155.3 -56.9 142.9 30.9 -3.0 17.7 45 45 L R E -F 37 0B 95 -8,-2.4 -8,-2.9 279,-0.1 2,-0.3 -0.991 17.4-123.6-126.7 123.2 28.2 -1.5 20.0 46 46 L L E +F 36 0B 15 -2,-0.4 -10,-0.3 277,-0.3 3,-0.1 -0.538 35.8 166.0 -69.9 123.7 25.0 0.0 18.5 47 47 L L E + 0 0 0 -12,-3.3 8,-2.6 1,-0.4 2,-0.3 0.844 62.3 13.7-100.3 -59.0 24.6 3.7 19.6 48 48 L I E -FG 35 54B 0 -13,-0.8 -13,-2.3 6,-0.2 -1,-0.4 -0.938 63.3-156.6-123.4 143.7 21.9 5.2 17.4 49 49 L K E >> S+ G 0 53B 53 4,-3.6 4,-2.2 -2,-0.3 3,-0.6 -0.901 71.0 9.4-119.7 154.5 19.3 3.6 15.0 50 50 L Y T 34 S- 0 0 3 -2,-0.3 2,-2.1 1,-0.2 3,-0.2 0.911 123.4 -64.3 44.0 60.3 17.5 5.0 12.0 51 51 L A T 34 S+ 0 0 2 -18,-3.2 -1,-0.2 1,-0.2 21,-0.2 -0.196 129.9 16.7 71.2 -44.8 19.5 8.3 11.9 52 52 L S T <4 S+ 0 0 66 -2,-2.1 2,-0.6 -3,-0.6 12,-0.4 0.456 86.6 108.2-143.8 -7.4 18.5 9.8 15.2 53 53 L E E < -G 49 0B 57 -4,-2.2 -4,-3.6 -3,-0.2 2,-0.3 -0.724 56.5-146.0 -87.8 118.7 16.9 7.3 17.6 54 54 L S E -G 48 0B 67 -2,-0.6 -6,-0.2 -6,-0.2 2,-0.1 -0.611 13.0-122.8 -85.7 145.0 19.3 6.5 20.5 55 55 L M > - 0 0 48 -8,-2.6 3,-1.1 -2,-0.3 2,-0.1 -0.463 36.7 -95.3 -77.4 156.9 19.3 3.1 22.0 56 56 L S T 3 S+ 0 0 117 1,-0.2 -1,-0.1 -2,-0.1 0, 0.0 -0.378 110.7 33.6 -73.1 153.6 18.7 2.8 25.8 57 57 L G T 3 S+ 0 0 74 1,-0.3 -1,-0.2 -2,-0.1 3,-0.0 0.242 92.0 121.1 81.9 -14.6 21.7 2.6 28.1 58 58 L I S < S- 0 0 19 -3,-1.1 -1,-0.3 -11,-0.1 -4,-0.0 -0.690 75.0-103.7 -83.4 130.8 23.4 5.0 25.6 59 59 L P > - 0 0 38 0, 0.0 3,-1.9 0, 0.0 -1,-0.1 -0.226 21.9-124.9 -55.5 140.1 24.5 8.3 27.2 60 60 L S T 3 S+ 0 0 121 1,-0.3 -2,-0.0 15,-0.0 -6,-0.0 0.725 104.3 76.1 -55.4 -26.9 22.2 11.3 26.4 61 61 L R T 3 S+ 0 0 40 16,-0.1 15,-1.9 14,-0.1 2,-0.5 0.573 81.6 84.4 -70.1 -6.1 25.3 13.2 25.1 62 62 L F E < +C 75 0A 7 -3,-1.9 2,-0.3 13,-0.2 13,-0.2 -0.850 55.8 155.6 -96.1 129.0 25.1 11.0 21.9 63 63 L S E -C 74 0A 50 11,-2.7 11,-3.3 -2,-0.5 2,-0.3 -0.973 20.0-159.1-144.6 158.9 22.7 12.1 19.2 64 64 L G E +C 73 0A 11 -12,-0.4 2,-0.3 -2,-0.3 9,-0.2 -0.958 11.1 168.6-135.6 160.6 22.3 11.7 15.4 65 65 L S E +C 72 0A 67 7,-2.5 7,-3.3 -2,-0.3 2,-0.2 -0.985 20.3 101.1-157.5 170.8 20.7 13.3 12.4 66 66 L G E -C 71 0A 29 -2,-0.3 2,-0.3 5,-0.3 5,-0.2 -0.523 32.2-154.8 132.9 162.9 20.5 13.3 8.7 67 67 L S E > +C 70 0A 83 3,-1.0 2,-1.2 -2,-0.2 3,-0.7 -0.912 64.9 16.6-170.0 144.5 18.2 12.0 5.9 68 68 L G T 3 S- 0 0 15 -38,-2.2 -39,-2.3 -2,-0.3 -38,-0.3 -0.709 132.2 -27.1 90.0 -82.5 18.5 11.0 2.3 69 69 L T T 3 S+ 0 0 52 -2,-1.2 -44,-2.3 -41,-0.2 2,-0.5 0.470 119.1 76.9-142.1 -14.3 22.3 10.7 2.0 70 70 L D E < +BC 24 67A 94 -3,-0.7 -3,-1.0 -46,-0.2 2,-0.3 -0.924 54.7 169.0-111.9 122.2 24.0 13.0 4.5 71 71 L F E -BC 23 66A 2 -48,-2.5 -48,-2.1 -2,-0.5 2,-0.4 -0.896 15.2-160.5-133.5 156.9 24.2 11.9 8.2 72 72 L T E -BC 22 65A 45 -7,-3.3 -7,-2.5 -2,-0.3 2,-0.4 -0.999 9.8-157.6-140.1 135.7 25.9 12.9 11.4 73 73 L L E -BC 21 64A 0 -52,-1.5 -52,-3.3 -2,-0.4 2,-0.4 -0.939 23.2-165.5-103.8 137.5 26.7 11.4 14.7 74 74 L S E -BC 20 63A 3 -11,-3.3 -11,-2.7 -2,-0.4 2,-0.5 -0.991 17.4-178.7-128.8 133.3 27.3 13.9 17.5 75 75 L I E -BC 19 62A 0 -56,-1.9 -56,-2.9 -2,-0.4 2,-0.3 -0.996 13.1-167.6-120.1 120.6 28.8 13.6 20.9 76 76 L N S S+ 0 0 60 -15,-1.9 -58,-0.2 -2,-0.5 -59,-0.2 -0.806 71.8 27.3-106.8 162.1 28.8 16.8 23.0 77 77 L T S S- 0 0 87 -61,-1.0 -1,-0.2 -2,-0.3 -60,-0.2 0.996 91.3-154.7 51.6 62.9 30.8 17.1 26.2 78 78 L V - 0 0 2 -61,-2.5 -62,-2.8 -64,-0.3 2,-0.3 -0.422 14.5-171.1 -67.9 145.5 33.2 14.5 24.8 79 79 L E > - 0 0 73 -64,-0.2 3,-2.9 -63,-0.1 4,-0.1 -0.957 38.4-103.3-139.0 155.5 35.2 12.5 27.3 80 80 L S G > S+ 0 0 27 1,-0.3 3,-2.4 -2,-0.3 26,-0.1 0.768 115.1 71.5 -53.1 -28.4 38.1 10.0 27.1 81 81 L E G 3 S+ 0 0 80 1,-0.3 -1,-0.3 88,-0.1 87,-0.1 0.573 90.0 65.2 -64.2 -4.1 35.7 7.1 27.6 82 82 L D G < + 0 0 1 -3,-2.9 2,-0.3 86,-0.1 -1,-0.3 0.381 67.9 126.5 -98.3 -1.6 34.5 8.0 24.1 83 83 L I < + 0 0 14 -3,-2.4 2,-0.3 85,-0.2 -43,-0.3 -0.479 42.6 101.8 -62.1 118.9 37.8 7.1 22.5 84 84 L A E S- H 0 104B 5 20,-0.5 20,-2.8 -2,-0.3 2,-0.4 -0.976 74.0 -84.3-175.6 175.7 36.8 4.5 19.8 85 85 L D E -EH 38 103B 40 -47,-1.8 -47,-2.9 -2,-0.3 2,-0.4 -0.851 40.1-151.7 -97.3 146.5 36.2 3.9 16.1 86 86 L Y E -EH 37 102B 0 16,-2.5 16,-2.7 -2,-0.4 2,-0.3 -0.983 12.7-173.2-124.5 129.0 32.8 4.8 14.9 87 87 L Y E -E 36 0B 20 -51,-1.7 -51,-2.6 -2,-0.4 2,-0.3 -0.921 11.6-148.2-120.3 145.9 31.1 3.1 12.0 88 88 L a E -E 35 0B 0 -2,-0.3 11,-2.5 -53,-0.2 2,-0.3 -0.806 12.9-164.2-106.3 158.7 27.9 3.8 10.2 89 89 L Q E -EI 34 98B 0 -55,-2.1 -55,-3.4 -2,-0.3 2,-0.4 -0.999 8.2-148.4-142.5 138.1 25.7 1.1 8.6 90 90 L Q E +EI 33 97B 0 7,-1.7 7,-0.7 -2,-0.3 -57,-0.2 -0.835 14.4 177.9-103.2 143.9 22.8 1.3 6.0 91 91 L S + 0 0 2 -59,-2.3 -58,-0.1 -2,-0.4 5,-0.1 0.095 61.4 94.2-127.9 23.5 19.9 -1.1 6.0 92 92 L H S S+ 0 0 6 -60,-0.5 2,-0.3 1,-0.1 410,-0.1 0.885 88.9 38.1 -76.2 -42.1 18.0 0.5 3.1 93 93 L S S S- 0 0 11 -61,-0.2 472,-0.2 2,-0.1 4,-0.2 -0.873 94.2 -89.3-116.4 144.2 19.5 -1.8 0.5 94 94 L W S S+ 0 0 22 470,-2.5 2,-0.1 -2,-0.3 -3,-0.1 -0.843 105.2 41.0 -94.3 129.9 20.5 -5.5 0.4 95 95 L P S S- 0 0 29 0, 0.0 -93,-0.1 0, 0.0 -2,-0.1 0.458 93.9-126.0 -89.4 158.0 23.1 -6.4 1.3 96 96 L F - 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