==== 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/CYTOKINE 10-JUN-10 3NFP . 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 . 1086 14 17 9 8 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 56585.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 604 55.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 18 1.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 389 35.8 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 8 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 6 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 8 0.7 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 0.2 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 . 79 7.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 65 6.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 23 2.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 8 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 5 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 . 0 0 2 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 PARALLEL BRIDGES PER LADDER . 18 12 15 6 8 15 3 0 4 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 . 6 6 8 2 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 A Q 0 0 174 0, 0.0 2,-0.2 0, 0.0 26,-0.1 0.000 360.0 360.0 360.0-143.8 -77.5 69.0 29.5 2 2 A V + 0 0 19 24,-0.3 2,-0.3 22,-0.0 24,-0.2 -0.415 360.0 170.4 -61.2 126.9 -76.7 69.6 33.2 3 3 A Q E -A 25 0A 125 22,-1.2 22,-1.1 -2,-0.2 2,-0.5 -0.988 22.8-163.7-147.5 128.4 -72.9 69.9 33.6 4 4 A L E -A 24 0A 9 102,-0.4 2,-0.5 -2,-0.3 104,-0.5 -0.966 11.0-161.4-119.4 120.4 -70.7 70.8 36.5 5 5 A V E -A 23 0A 72 18,-2.3 18,-2.9 -2,-0.5 2,-0.2 -0.869 7.2-155.6-106.6 127.2 -67.0 71.8 35.8 6 6 A Q E -A 22 0A 10 -2,-0.5 16,-0.2 16,-0.2 2,-0.1 -0.568 22.0 -98.5-100.1 161.5 -64.4 71.8 38.6 7 7 A S - 0 0 36 14,-1.4 -1,-0.1 -2,-0.2 102,-0.1 -0.355 48.9 -86.5 -76.8 157.8 -61.0 73.7 39.0 8 8 A G - 0 0 52 1,-0.1 -1,-0.1 102,-0.1 13,-0.1 0.072 52.9 -74.4 -62.4 168.8 -57.6 72.1 38.2 9 9 A A - 0 0 68 101,-0.1 2,-0.3 103,-0.1 103,-0.2 -0.237 48.0-153.7 -64.1 151.1 -55.3 70.0 40.4 10 10 A E E -d 112 0B 89 101,-2.8 103,-2.5 2,-0.0 2,-0.5 -0.965 14.3-155.1-133.0 146.4 -53.3 71.7 43.2 11 11 A V E -d 113 0B 76 -2,-0.3 2,-0.3 101,-0.2 103,-0.2 -0.983 25.3-173.1-119.8 119.9 -50.1 71.0 45.1 12 12 A K E -d 114 0B 43 101,-3.1 103,-1.6 -2,-0.5 3,-0.1 -0.875 22.5-126.3-123.3 149.0 -49.9 72.5 48.6 13 13 A K > - 0 0 97 -2,-0.3 3,-1.8 101,-0.2 73,-0.2 -0.599 48.2 -86.1 -84.4 144.8 -47.3 73.0 51.4 14 14 A P T 3 S+ 0 0 72 0, 0.0 73,-0.2 0, 0.0 -1,-0.1 -0.222 113.1 21.0 -54.0 136.9 -48.2 71.8 55.0 15 15 A G T 3 S+ 0 0 59 71,-2.1 72,-0.1 1,-0.2 -2,-0.0 0.354 101.6 110.1 87.3 -4.5 -50.1 74.3 57.1 16 16 A S < - 0 0 31 -3,-1.8 70,-1.6 70,-0.1 2,-0.3 0.027 59.7-125.1 -86.1-163.6 -51.4 76.3 54.1 17 17 A S - 0 0 60 68,-0.2 2,-0.3 -3,-0.1 67,-0.2 -0.995 16.4-166.7-150.0 146.0 -54.9 76.6 52.6 18 18 A V E - B 0 83A 15 65,-1.1 65,-2.1 -2,-0.3 2,-0.4 -0.952 10.0-146.9-135.1 153.6 -56.6 76.1 49.2 19 19 A K E - B 0 82A 114 -2,-0.3 2,-0.3 63,-0.2 63,-0.2 -0.983 13.7-155.5-127.8 125.8 -60.0 77.0 47.6 20 20 A V E - B 0 81A 3 61,-1.6 61,-1.0 -2,-0.4 2,-0.2 -0.800 4.5-150.3-108.8 139.6 -61.8 74.8 45.1 21 21 A S E - B 0 80A 43 -2,-0.3 -14,-1.4 59,-0.2 2,-0.2 -0.648 13.0-177.4-105.3 160.8 -64.4 75.8 42.4 22 22 A a E -AB 6 79A 0 57,-0.7 57,-2.1 -16,-0.2 2,-0.3 -0.773 13.4-160.9-157.6 101.7 -67.3 74.1 40.7 23 23 A K E -AB 5 78A 105 -18,-2.9 -18,-2.3 -2,-0.2 2,-0.3 -0.726 12.0-149.1 -92.6 142.6 -69.3 75.9 38.0 24 24 A A E +A 4 0A 2 53,-2.3 2,-0.3 -2,-0.3 -20,-0.2 -0.804 20.2 163.5-119.0 150.2 -72.8 74.8 37.0 25 25 A S E +A 3 0A 68 -22,-1.1 -22,-1.2 -2,-0.3 3,-0.1 -0.954 49.8 52.9-150.3 167.5 -75.0 74.8 33.9 26 26 A G S S+ 0 0 58 -2,-0.3 -24,-0.3 -24,-0.2 2,-0.3 0.564 102.7 48.4 82.6 10.8 -78.2 73.2 32.5 27 27 A Y S S- 0 0 38 -26,-0.1 2,-0.6 -24,-0.1 -1,-0.1 -0.966 97.4 -76.9-165.5 169.8 -80.5 74.1 35.4 28 28 A T > - 0 0 85 -2,-0.3 3,-1.2 1,-0.1 4,-0.2 -0.715 42.7-144.1 -84.9 118.9 -81.6 76.9 37.7 29 29 A F G > S+ 0 0 12 -2,-0.6 3,-1.0 1,-0.2 -1,-0.1 0.809 86.8 47.0 -54.6 -49.9 -78.8 77.4 40.3 30 30 A T G 3 S+ 0 0 42 1,-0.2 24,-0.4 23,-0.1 -1,-0.2 0.512 94.5 75.4 -80.3 -4.8 -80.6 78.3 43.6 31 31 A S G < S+ 0 0 60 -3,-1.2 2,-0.3 22,-0.1 -1,-0.2 0.524 95.6 51.9 -82.3 -7.5 -83.3 75.6 43.5 32 32 A Y S < S- 0 0 70 -3,-1.0 2,-0.2 -4,-0.2 22,-0.1 -0.965 75.8-126.2-133.9 146.2 -80.8 72.8 44.5 33 33 A R - 0 0 21 -2,-0.3 66,-3.1 19,-0.1 2,-0.4 -0.508 23.0-138.2 -78.4 156.3 -78.3 72.2 47.2 34 34 A M E -EF 51 98B 5 17,-1.5 17,-1.3 64,-0.2 2,-0.2 -0.982 16.7-161.1-118.3 133.3 -74.7 71.2 46.4 35 35 A H E -EF 50 97B 5 62,-3.2 62,-2.4 -2,-0.4 2,-0.4 -0.695 5.7-144.7-106.1 161.0 -72.8 68.5 48.3 36 36 A W E +EF 49 96B 0 13,-1.7 12,-2.0 -2,-0.2 13,-0.8 -0.970 17.6 176.1-126.0 145.3 -69.1 67.7 48.6 37 37 A V E -EF 47 95B 0 58,-2.1 58,-3.1 -2,-0.4 2,-0.4 -0.996 12.5-152.9-145.3 141.1 -67.4 64.3 48.9 38 38 A R E -EF 46 94B 27 8,-2.1 8,-1.7 -2,-0.3 2,-0.5 -0.936 2.8-158.6-120.1 149.0 -63.7 63.0 49.0 39 39 A Q E -EF 45 93B 32 54,-2.2 54,-1.4 -2,-0.4 6,-0.2 -0.912 13.1-156.5-124.7 101.4 -62.1 59.7 48.0 40 40 A A - 0 0 18 4,-0.5 2,-0.2 -2,-0.5 52,-0.2 -0.434 38.4 -86.4 -73.5 148.9 -58.7 58.9 49.6 41 41 A P S S- 0 0 110 0, 0.0 2,-0.8 0, 0.0 -1,-0.1 -0.394 112.6 -4.2 -59.3 124.2 -56.3 56.5 47.8 42 42 A G S S+ 0 0 93 1,-0.3 -2,-0.0 -2,-0.2 0, 0.0 -0.231 118.2 98.3 84.3 -44.7 -57.2 53.0 48.8 43 43 A Q S S- 0 0 109 -2,-0.8 -1,-0.3 1,-0.1 271,-0.0 -0.188 74.0-116.4 -70.6 165.2 -59.9 54.3 51.2 44 44 A G - 0 0 11 1,-0.2 -4,-0.5 -3,-0.1 2,-0.4 0.448 46.1 -55.5 -80.8-141.8 -63.6 54.4 50.3 45 45 A L E -E 39 0B 10 268,-0.6 267,-0.6 -6,-0.2 2,-0.4 -0.880 45.8-169.5-111.8 140.3 -66.0 57.4 50.0 46 46 A E E -EG 38 311B 25 -8,-1.7 -8,-2.1 -2,-0.4 2,-0.4 -0.993 15.8-136.6-137.6 129.8 -66.7 60.0 52.6 47 47 A W E +E 37 0B 3 263,-0.6 -10,-0.2 -2,-0.4 14,-0.1 -0.705 17.7 179.9 -90.9 125.9 -69.4 62.7 52.8 48 48 A I E - 0 0 0 -12,-2.0 13,-1.2 -2,-0.4 2,-0.3 0.949 44.6 -91.4 -86.5 -61.7 -68.4 66.3 54.0 49 49 A G E -EH 36 60B 0 -13,-0.8 -13,-1.7 11,-0.2 -1,-0.3 -0.982 32.4-101.0 169.2-169.6 -71.6 68.4 53.9 50 50 A Y E -EH 35 59B 3 9,-1.5 9,-1.3 -2,-0.3 2,-0.3 -0.872 10.2-148.1-139.1 171.0 -73.8 70.8 51.9 51 51 A I E -EH 34 58B 8 -17,-1.3 -17,-1.5 -2,-0.3 7,-0.2 -0.984 10.7-144.7-137.8 151.2 -74.9 74.4 51.2 52 52 A N >> - 0 0 16 5,-1.3 4,-2.7 -2,-0.3 3,-0.5 -0.946 7.7-156.7-115.8 107.8 -78.2 76.1 50.1 53 53 A P T 34 S+ 0 0 17 0, 0.0 21,-0.2 0, 0.0 -23,-0.1 0.668 90.7 60.9 -58.2 -22.1 -77.7 79.1 47.8 54 54 A S T 34 S+ 0 0 78 -24,-0.4 -23,-0.1 3,-0.1 -24,-0.1 0.958 125.8 12.2 -66.4 -50.8 -81.0 80.6 48.7 55 55 A T T <4 S- 0 0 94 -3,-0.5 -1,-0.0 2,-0.1 -4,-0.0 0.917 89.6-128.5 -92.8 -53.8 -80.2 80.9 52.4 56 56 A G < + 0 0 46 -4,-2.7 2,-0.1 1,-0.3 16,-0.1 0.358 55.7 149.5 109.7 3.4 -76.4 80.3 52.8 57 57 A Y - 0 0 91 -5,-0.4 -5,-1.3 -6,-0.0 2,-0.3 -0.419 27.9-159.9 -75.2 141.7 -76.9 77.7 55.5 58 58 A T E -H 51 0B 40 -7,-0.2 2,-0.3 -2,-0.1 -7,-0.2 -0.908 11.7-166.0-125.0 149.8 -74.5 74.8 55.9 59 59 A E E +H 50 0B 21 -9,-1.3 -9,-1.5 -2,-0.3 2,-0.3 -0.979 14.4 179.1-130.0 145.9 -74.5 71.4 57.5 60 60 A Y E -H 49 0B 24 -2,-0.3 2,-0.3 -11,-0.2 -11,-0.2 -0.824 25.7-109.7-134.7 172.2 -71.5 69.1 58.2 61 61 A N - 0 0 8 -13,-1.2 2,-2.5 -2,-0.3 3,-0.4 -0.717 42.2 -97.1-102.6 163.3 -70.5 65.8 59.7 62 62 A Q S S+ 0 0 90 -2,-0.3 -1,-0.0 1,-0.2 960,-0.0 -0.253 116.2 52.3 -76.6 51.7 -68.6 65.2 63.0 63 63 A K S S+ 0 0 120 -2,-2.5 3,-0.3 -15,-0.2 -1,-0.2 0.350 110.1 36.9-142.8 -55.8 -65.3 64.9 61.2 64 64 A F S >> S+ 0 0 12 -3,-0.4 4,-1.3 -16,-0.2 3,-0.6 -0.068 79.9 121.1 -99.1 30.1 -64.7 67.9 58.9 65 65 A K T 34 S+ 0 0 112 1,-0.2 -1,-0.2 -4,-0.2 3,-0.1 0.953 87.8 20.4 -57.6 -56.5 -66.4 70.3 61.3 66 66 A D T 34 S+ 0 0 152 -3,-0.3 -1,-0.2 1,-0.1 -2,-0.1 0.045 120.9 64.5-104.8 24.0 -63.4 72.7 61.8 67 67 A K T <4 S+ 0 0 40 -3,-0.6 17,-1.9 1,-0.2 2,-0.3 0.635 99.9 38.5-117.0 -25.3 -61.6 71.6 58.6 68 68 A A E < -C 83 0A 2 -4,-1.3 2,-0.3 15,-0.2 -1,-0.2 -0.949 51.7-167.5-133.3 151.1 -63.9 72.7 55.8 69 69 A T E -C 82 0A 84 13,-1.3 13,-1.6 -2,-0.3 2,-0.2 -0.896 15.1-149.3-140.3 108.2 -66.2 75.6 54.9 70 70 A I E +C 81 0A 6 -2,-0.3 2,-0.3 11,-0.2 11,-0.2 -0.536 24.2 171.3 -76.1 139.2 -68.7 75.4 52.0 71 71 A T E +C 80 0A 54 9,-2.2 9,-4.4 -2,-0.2 2,-0.3 -0.976 6.4 170.8-147.1 157.1 -69.5 78.7 50.2 72 72 A A E -C 79 0A 27 -2,-0.3 2,-0.3 7,-0.3 7,-0.2 -0.986 17.8-150.4-159.1 164.9 -71.4 79.9 47.1 73 73 A D E >>> -C 78 0A 51 5,-1.6 5,-1.1 -2,-0.3 3,-0.8 -0.936 11.1-153.6-149.1 129.2 -72.8 82.8 45.1 74 74 A E T 345S+ 0 0 119 -2,-0.3 -45,-0.1 -21,-0.2 -44,-0.1 0.688 88.9 74.0 -69.2 -21.3 -75.8 83.1 42.8 75 75 A S T 345S+ 0 0 108 1,-0.2 -1,-0.2 3,-0.1 0, 0.0 0.818 113.9 19.5 -64.1 -32.6 -74.3 85.9 40.7 76 76 A T T <45S- 0 0 55 -3,-0.8 -1,-0.2 2,-0.2 -2,-0.2 0.371 101.6-120.2-122.8 1.8 -71.8 83.7 38.9 77 77 A N T <5 + 0 0 51 -4,-0.8 -53,-2.3 1,-0.2 2,-0.3 0.856 67.8 123.3 64.0 41.9 -73.3 80.2 39.4 78 78 A T E < -BC 23 73A 11 -5,-1.1 -5,-1.6 -55,-0.2 2,-0.4 -0.967 47.4-148.3-133.6 149.7 -70.4 78.6 41.3 79 79 A A E -BC 22 72A 0 -57,-2.1 -57,-0.7 -2,-0.3 -7,-0.3 -0.906 16.6-156.8-114.5 147.0 -69.9 76.8 44.6 80 80 A Y E -BC 21 71A 50 -9,-4.4 -9,-2.2 -2,-0.4 2,-0.2 -0.789 12.9-170.7-121.9 164.0 -66.7 76.8 46.7 81 81 A M E -BC 20 70A 0 -61,-1.0 -61,-1.6 -2,-0.3 2,-0.4 -0.805 10.6-163.0-157.1 107.4 -65.0 74.7 49.4 82 82 A E E -BC 19 69A 83 -13,-1.6 -13,-1.3 -2,-0.2 2,-0.5 -0.794 8.2-148.6-101.3 135.8 -62.0 75.8 51.4 83 83 A L E -BC 18 68A 4 -65,-2.1 -65,-1.1 -2,-0.4 3,-0.2 -0.893 12.2-155.7-104.9 131.8 -59.6 73.5 53.4 84 84 A S + 0 0 50 -17,-1.9 2,-0.5 -2,-0.5 -1,-0.1 0.980 67.9 8.4 -81.0 -69.5 -58.0 75.1 56.4 85 85 A S S S- 0 0 60 -18,-0.1 -1,-0.2 -68,-0.1 -68,-0.2 -0.870 80.1-138.2-122.8 98.0 -54.7 73.6 57.7 86 86 A L + 0 0 4 -70,-1.6 -71,-2.1 -2,-0.5 2,-0.3 -0.266 24.8 176.0 -67.9 132.6 -53.4 71.1 55.3 87 87 A R > - 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