==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=11-MAR-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER IMMUNE SYSTEM 29-AUG-09 3IU3 . COMPND 2 MOLECULE: HEAVY CHAIN OF FAB FRAGMENT OF BASILIXIMAB; . SOURCE 2 SYNTHETIC: YES; . AUTHOR J.DU,H.YANG,J.WANG,J.DING . 1619 14 23 14 9 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 76800.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 989 61.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 27 1.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 602 37.2 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 18 1.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 9 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 15 0.9 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 . 3 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 . 184 11.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 102 6.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 44 2.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 15 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 2 3 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 RESIDUES PER ALPHA HELIX . 0 0 3 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 0 0 PARALLEL BRIDGES PER LADDER . 17 22 26 10 12 19 8 0 3 3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 10 5 15 0 4 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 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 0 105 0, 0.0 22,-1.4 0, 0.0 2,-0.5 0.000 360.0 360.0 360.0 -69.9 76.8 -1.4 -5.4 2 2 A L E +A 22 0A 15 103,-0.3 2,-0.6 20,-0.2 105,-0.5 -0.886 360.0 178.1-123.8 100.7 73.6 -0.1 -7.1 3 3 A Q E -A 21 0A 125 18,-2.2 18,-3.1 -2,-0.5 2,-0.2 -0.895 7.6-166.5-110.8 115.5 70.6 0.3 -4.9 4 4 A Q E -A 20 0A 4 -2,-0.6 16,-0.2 16,-0.3 103,-0.1 -0.621 28.2 -95.0 -99.5 158.9 67.4 1.7 -6.3 5 5 A S - 0 0 35 14,-1.5 3,-0.1 -2,-0.2 -1,-0.1 -0.290 48.7 -94.0 -71.1 156.4 64.3 2.9 -4.4 6 6 A G - 0 0 57 1,-0.2 -1,-0.1 103,-0.1 103,-0.0 0.073 59.5 -51.7 -68.7 176.9 61.2 0.7 -3.8 7 7 A T - 0 0 98 102,-0.1 2,-0.3 1,-0.1 104,-0.2 -0.211 57.7-153.9 -53.7 129.1 58.0 0.2 -5.8 8 8 A V E -d 111 0B 34 102,-2.1 104,-1.9 -3,-0.1 2,-0.3 -0.839 8.7-158.2-109.6 146.6 56.2 3.5 -6.6 9 9 A L E +d 112 0B 75 -2,-0.3 2,-0.3 102,-0.2 104,-0.2 -0.932 19.6 170.8-116.4 145.2 52.5 4.2 -7.2 10 10 A A E -d 113 0B 15 102,-1.9 104,-2.9 -2,-0.3 6,-0.1 -0.994 27.0-126.9-153.9 154.9 51.2 7.3 -9.1 11 11 A R > - 0 0 139 -2,-0.3 3,-2.0 102,-0.2 73,-0.3 -0.725 48.1 -81.4-102.3 155.1 48.1 8.8 -10.6 12 12 A P T 3 S+ 0 0 79 0, 0.0 73,-0.2 0, 0.0 3,-0.1 -0.352 117.8 21.4 -60.5 120.5 47.8 10.1 -14.2 13 13 A G T 3 S+ 0 0 51 71,-1.9 70,-0.6 1,-0.3 72,-0.1 0.003 99.1 114.1 113.0 -25.0 49.3 13.6 -14.4 14 14 A A < - 0 0 41 -3,-2.0 70,-2.3 70,-0.2 -1,-0.3 0.051 59.1-126.5 -67.9 178.7 51.5 13.4 -11.4 15 15 A S - 0 0 69 67,-0.2 2,-0.3 68,-0.2 67,-0.2 -0.809 18.3-162.8-119.9 167.2 55.3 13.4 -11.1 16 16 A V E - B 0 81A 16 65,-1.1 65,-2.6 -2,-0.3 2,-0.5 -0.967 8.4-157.2-154.6 138.6 57.7 10.9 -9.5 17 17 A K E - B 0 80A 114 -2,-0.3 2,-0.3 63,-0.2 63,-0.2 -0.969 15.0-175.4-119.8 117.4 61.3 11.0 -8.4 18 18 A M E - B 0 79A 1 61,-2.4 61,-2.2 -2,-0.5 2,-0.2 -0.801 10.8-144.1-110.8 156.4 63.2 7.7 -8.0 19 19 A S E - B 0 78A 30 -2,-0.3 -14,-1.5 59,-0.2 2,-0.2 -0.711 13.5-163.4-120.2 167.2 66.8 7.2 -6.7 20 20 A a E -AB 4 77A 1 57,-1.5 57,-2.2 -16,-0.2 2,-0.6 -0.753 16.9-154.8-152.8 93.2 69.8 5.0 -7.4 21 21 A K E -AB 3 76A 94 -18,-3.1 -18,-2.2 55,-0.2 55,-0.3 -0.651 8.3-153.3 -84.5 115.6 72.4 5.0 -4.6 22 22 A A E +A 2 0A 0 53,-3.1 2,-0.3 -2,-0.6 -20,-0.2 -0.570 19.2 170.8 -83.1 146.8 75.9 4.1 -5.8 23 23 A S + 0 0 54 -22,-1.4 3,-0.1 -2,-0.2 52,-0.0 -0.957 49.7 34.1-158.9 139.4 78.5 2.5 -3.4 24 24 A G S S+ 0 0 74 -2,-0.3 2,-0.3 1,-0.2 -1,-0.1 0.671 106.1 55.9 92.9 20.1 81.9 0.9 -3.5 25 25 A Y S S- 0 0 25 -24,-0.1 2,-0.8 1495,-0.0 -1,-0.2 -0.946 99.7 -73.7-170.8 159.7 83.4 3.1 -6.3 26 26 A S > - 0 0 31 -2,-0.3 3,-1.2 1,-0.2 4,-0.3 -0.484 37.0-162.7 -69.2 103.5 84.0 6.7 -7.2 27 27 A F G > S+ 0 0 7 -2,-0.8 3,-0.5 1,-0.2 -1,-0.2 0.722 84.1 61.3 -55.3 -26.6 80.5 8.1 -8.1 28 28 A T G 3 S+ 0 0 58 1,-0.2 24,-0.5 23,-0.1 -1,-0.2 0.779 97.1 55.1 -74.0 -31.0 82.2 11.1 -9.9 29 29 A R G < S+ 0 0 52 -3,-1.2 2,-0.4 22,-0.1 -1,-0.2 0.372 95.3 71.5 -94.0 3.1 84.1 9.2 -12.6 30 30 A Y S < S- 0 0 7 -3,-0.5 2,-0.3 -4,-0.3 22,-0.1 -0.927 74.4-118.7-128.8 144.0 81.4 7.1 -14.3 31 31 A W - 0 0 4 66,-0.4 66,-1.7 -2,-0.4 2,-0.6 -0.613 26.6-147.5 -77.4 137.0 78.4 7.7 -16.6 32 32 A M E -EF 49 96B 1 17,-2.5 17,-1.3 -2,-0.3 2,-0.3 -0.934 14.0-163.3-112.8 117.1 75.0 6.7 -15.1 33 33 A H E -EF 48 95B 0 62,-2.7 62,-2.1 -2,-0.6 2,-0.4 -0.730 7.7-151.8-103.3 147.7 72.4 5.4 -17.5 34 34 A W E -EF 47 94B 0 13,-2.3 12,-3.0 -2,-0.3 13,-1.0 -0.966 13.7-170.3-119.4 135.5 68.6 4.9 -17.0 35 35 A I E -EF 45 93B 0 58,-2.7 58,-2.8 -2,-0.4 2,-0.3 -0.987 9.5-150.4-136.2 126.3 66.6 2.3 -18.9 36 36 A K E -EF 44 92B 7 8,-2.8 8,-2.7 -2,-0.4 2,-0.3 -0.649 10.7-176.5 -92.2 146.3 62.9 1.7 -19.2 37 37 A Q E -EF 43 91B 25 54,-1.0 54,-1.7 -2,-0.3 6,-0.2 -0.774 13.1-152.5-145.6 102.1 61.2 -1.7 -19.7 38 38 A R - 0 0 40 4,-0.5 3,-0.4 -2,-0.3 52,-0.2 -0.430 44.4 -79.3 -70.5 143.7 57.4 -1.9 -20.1 39 39 A P S S- 0 0 96 0, 0.0 2,-1.1 0, 0.0 -1,-0.1 -0.162 115.4 -2.3 -44.3 125.0 55.7 -5.1 -19.0 40 40 A G S S+ 0 0 86 1,-0.2 -2,-0.0 -3,-0.1 0, 0.0 -0.306 118.5 89.6 87.0 -51.0 56.2 -7.7 -21.8 41 41 A Q S S- 0 0 113 -2,-1.1 -1,-0.2 -3,-0.4 2,-0.0 0.276 76.1 -88.3 -70.3-164.9 58.1 -5.4 -24.1 42 42 A G - 0 0 16 1,-0.1 -4,-0.5 -3,-0.1 2,-0.3 -0.023 47.0 -67.4 -98.6-164.1 61.8 -4.5 -24.5 43 43 A L E -E 37 0B 10 269,-0.5 2,-0.4 -6,-0.2 268,-0.3 -0.688 38.7-166.8 -93.0 140.8 64.4 -2.1 -23.2 44 44 A E E -E 36 0B 68 -8,-2.7 -8,-2.8 -2,-0.3 2,-0.4 -0.997 19.9-130.1-128.6 130.8 64.4 1.6 -23.9 45 45 A W E -E 35 0B 13 -2,-0.4 -10,-0.2 -10,-0.2 3,-0.1 -0.641 22.8-179.4 -76.1 125.3 67.3 4.0 -23.2 46 46 A I E - 0 0 0 -12,-3.0 13,-2.4 -2,-0.4 2,-0.3 0.891 50.3 -80.8 -89.5 -49.8 66.1 7.0 -21.2 47 47 A G E -EG 34 58B 0 -13,-1.0 -13,-2.3 11,-0.3 -1,-0.4 -0.968 36.4-108.0 168.1-174.9 69.4 9.0 -21.0 48 48 A A E -EG 33 57B 0 9,-2.5 9,-2.2 -2,-0.3 2,-0.3 -0.927 16.5-160.7-140.5 164.1 72.7 9.3 -19.1 49 49 A I E -EG 32 56B 0 -17,-1.3 -17,-2.5 -2,-0.3 7,-0.2 -0.992 15.1-145.6-149.1 138.0 74.4 11.7 -16.6 50 50 A Y E >>> - G 0 55B 14 5,-1.8 4,-1.8 -2,-0.3 3,-1.5 -0.924 12.6-160.2-103.8 106.9 78.0 12.4 -15.6 51 51 A P T 345S+ 0 0 2 0, 0.0 21,-0.2 0, 0.0 -23,-0.1 0.526 82.5 74.6 -68.4 -6.1 77.8 13.3 -11.9 52 52 A G T 345S- 0 0 41 -24,-0.5 -24,-0.1 1,-0.1 -23,-0.1 0.805 126.4 -2.8 -71.7 -31.9 81.2 15.0 -12.1 53 53 A N T <45S- 0 0 75 -3,-1.5 3,-0.1 -25,-0.1 -1,-0.1 0.239 97.2-112.2-143.8 7.3 79.7 18.0 -13.8 54 54 A S T <5 + 0 0 65 -4,-1.8 2,-0.7 1,-0.2 14,-0.1 0.747 53.6 167.2 56.9 29.5 76.0 17.0 -14.3 55 55 A D E < -G 50 0B 51 -5,-0.9 -5,-1.8 2,-0.0 2,-0.3 -0.644 16.3-170.4 -70.4 111.8 76.4 16.8 -18.1 56 56 A T E -G 49 0B 47 -2,-0.7 2,-0.3 -7,-0.2 -7,-0.2 -0.724 16.8-169.5-108.2 157.7 73.2 15.0 -19.1 57 57 A S E -G 48 0B 25 -9,-2.2 -9,-2.5 -2,-0.3 2,-0.3 -0.989 11.7-159.3-143.7 142.6 72.1 13.5 -22.4 58 58 A Y E -G 47 0B 42 -2,-0.3 -11,-0.3 -11,-0.2 2,-0.2 -0.900 24.5-114.2-127.7 150.1 68.6 12.2 -23.4 59 59 A N > - 0 0 19 -13,-2.4 3,-1.6 -2,-0.3 4,-0.2 -0.582 39.9-119.8 -66.6 141.8 66.7 10.0 -25.8 60 60 A Q G > S+ 0 0 101 1,-0.3 3,-0.9 -2,-0.2 4,-0.2 0.795 110.5 62.5 -60.5 -28.8 64.6 12.2 -27.9 61 61 A K G 3 S+ 0 0 149 1,-0.2 -1,-0.3 2,-0.1 3,-0.1 0.709 110.2 38.8 -66.8 -22.0 61.4 10.5 -26.7 62 62 A F G <> S+ 0 0 12 -3,-1.6 4,-2.4 -16,-0.2 3,-0.4 0.201 74.6 119.7-118.9 13.9 62.0 11.6 -23.1 63 63 A E T <4 S+ 0 0 84 -3,-0.9 -1,-0.1 1,-0.3 -2,-0.1 0.890 93.5 20.6 -46.7 -53.6 63.3 15.1 -23.5 64 64 A G T 4 S+ 0 0 68 -4,-0.2 -1,-0.3 -3,-0.1 18,-0.1 0.403 123.0 58.4-100.8 -0.5 60.5 16.7 -21.5 65 65 A K T 4 S+ 0 0 43 -3,-0.4 17,-2.5 1,-0.1 2,-0.4 0.846 102.2 49.6 -94.6 -42.6 59.4 13.6 -19.6 66 66 A A E < -C 81 0A 6 -4,-2.4 2,-0.4 15,-0.2 15,-0.2 -0.794 58.6-169.6-103.6 142.1 62.6 12.6 -17.8 67 67 A K E -C 80 0A 126 13,-2.3 13,-2.6 -2,-0.4 2,-0.5 -0.986 10.6-156.9-128.6 119.7 64.8 14.8 -15.7 68 68 A L E +C 79 0A 6 -2,-0.4 2,-0.3 11,-0.2 11,-0.2 -0.862 22.1 157.9-104.1 123.8 68.2 13.4 -14.6 69 69 A T E -C 78 0A 53 9,-1.8 9,-3.2 -2,-0.5 2,-0.3 -0.876 19.6-156.8-136.0 166.6 70.1 14.8 -11.6 70 70 A A E -C 77 0A 17 -2,-0.3 2,-0.5 7,-0.2 7,-0.2 -0.996 13.0-150.5-147.3 147.9 72.7 13.7 -9.1 71 71 A V E >>> -C 76 0A 63 5,-2.3 3,-2.0 -2,-0.3 5,-1.3 -0.886 10.8-166.8-120.5 96.7 73.8 14.6 -5.5 72 72 A T T 345S+ 0 0 75 -2,-0.5 3,-0.3 1,-0.3 -1,-0.1 0.809 86.2 58.5 -52.9 -37.6 77.6 13.9 -5.3 73 73 A S T 345S+ 0 0 119 1,-0.2 -1,-0.3 2,-0.1 -2,-0.0 0.667 113.3 38.6 -69.5 -18.7 77.6 14.2 -1.5 74 74 A A T <45S- 0 0 37 -3,-2.0 -1,-0.2 2,-0.2 -2,-0.2 0.576 101.4-130.3-102.0 -14.8 75.0 11.3 -1.3 75 75 A S T <5 + 0 0 34 -4,-1.2 -53,-3.1 -3,-0.3 2,-0.4 0.847 65.6 132.5 60.4 39.2 76.4 9.2 -4.1 76 76 A T E < -BC 21 71A 9 -5,-1.3 -5,-2.3 -55,-0.3 2,-0.4 -0.976 48.3-153.3-129.6 128.1 72.9 9.0 -5.5 77 77 A A E -BC 20 70A 0 -57,-2.2 -57,-1.5 -2,-0.4 2,-0.3 -0.790 19.2-159.4 -94.7 142.4 71.5 9.5 -9.0 78 78 A Y E -BC 19 69A 61 -9,-3.2 -9,-1.8 -2,-0.4 2,-0.3 -0.869 13.2-165.8-122.2 153.7 68.0 10.7 -9.4 79 79 A M E -BC 18 68A 0 -61,-2.2 -61,-2.4 -2,-0.3 2,-0.4 -0.935 5.9-163.1-139.5 118.3 65.3 10.6 -12.1 80 80 A E E -BC 17 67A 73 -13,-2.6 -13,-2.3 -2,-0.3 2,-0.5 -0.816 7.1-160.0 -99.1 141.6 62.2 12.7 -12.0 81 81 A L E -BC 16 66A 1 -65,-2.6 -65,-1.1 -2,-0.4 3,-0.3 -0.964 11.5-152.2-132.7 113.9 59.4 11.7 -14.4 82 82 A S + 0 0 38 -17,-2.5 -67,-0.2 -2,-0.5 -68,-0.1 -0.461 59.8 3.3-101.6 159.4 56.6 14.2 -15.3 83 83 A S S S- 0 0 68 -70,-0.6 -1,-0.2 -2,-0.1 -69,-0.2 0.893 84.3-147.5 34.9 66.1 52.9 14.2 -16.3 84 84 A L - 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