==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=13-SEP-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER IMMUNE SYSTEM 19-MAR-13 4JPI . COMPND 2 MOLECULE: PUTATIVE VRC01 GERMLINE FAB HEAVY CHAIN; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR J.-P.JULIEN,D.C.DIWANJI,J.JARDINE,W.R.SCHIEF,I.A.WILSON . 849 6 8 8 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 36821.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 573 67.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 18 2.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 340 40.0 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 9 1.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 7 0.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 7 0.8 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 . 101 11.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 75 8.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 23 2.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 8 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 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 . 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 . 5 11 9 7 9 16 1 0 2 2 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 1 9 1 1 4 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 H Q 0 0 188 0, 0.0 2,-0.2 0, 0.0 26,-0.1 0.000 360.0 360.0 360.0 134.8 -1.7 40.3 -16.0 2 2 H V - 0 0 22 24,-0.1 2,-0.4 22,-0.0 24,-0.2 -0.536 360.0-172.2 -70.7 135.3 -1.9 37.6 -18.6 3 3 H Q E -A 25 0A 116 22,-2.5 22,-1.9 -2,-0.2 2,-0.5 -0.998 14.1-170.4-130.5 132.4 -0.9 34.1 -17.5 4 4 H L E -A 24 0A 13 107,-0.4 2,-0.5 -2,-0.4 109,-0.4 -0.986 12.2-172.2-115.9 117.6 -0.5 31.0 -19.6 5 5 H V E -A 23 0A 72 18,-2.6 18,-3.5 -2,-0.5 2,-0.2 -0.957 6.3-160.6-115.8 120.6 -0.1 27.9 -17.4 6 6 H Q E -A 22 0A 11 -2,-0.5 16,-0.2 16,-0.3 89,-0.0 -0.626 22.6-100.7-100.1 159.5 0.8 24.6 -19.1 7 7 H S - 0 0 32 14,-1.8 -1,-0.1 -2,-0.2 3,-0.1 -0.131 52.7 -81.4 -68.7 172.6 0.5 21.0 -17.9 8 8 H G - 0 0 52 1,-0.2 -1,-0.1 107,-0.1 13,-0.1 -0.201 55.3 -67.6 -82.1 167.7 3.5 19.1 -16.6 9 9 H A - 0 0 71 105,-0.1 2,-0.3 1,-0.1 108,-0.2 -0.024 50.7-158.4 -45.6 148.1 6.4 17.2 -18.3 10 10 H E E -d 117 0B 51 106,-2.5 108,-2.6 -3,-0.1 2,-0.4 -0.959 11.6-153.6-133.6 152.8 5.6 14.0 -20.2 11 11 H V E +d 118 0B 60 -2,-0.3 2,-0.3 106,-0.2 108,-0.2 -0.997 21.8 177.4-128.3 131.0 7.5 10.9 -21.3 12 12 H K E -d 119 0B 60 106,-3.1 108,-3.1 -2,-0.4 6,-0.1 -0.927 27.1-126.6-135.9 152.0 6.4 8.9 -24.3 13 13 H K > - 0 0 106 -2,-0.3 3,-2.4 106,-0.2 73,-0.2 -0.717 50.3 -86.1 -89.7 147.5 7.5 5.9 -26.4 14 14 H P T 3 S+ 0 0 71 0, 0.0 73,-0.2 0, 0.0 -1,-0.1 -0.263 118.9 29.8 -50.8 137.7 7.8 6.3 -30.2 15 15 H G T 3 S+ 0 0 58 71,-2.5 70,-0.6 1,-0.3 72,-0.1 0.102 98.0 110.9 94.4 -21.4 4.4 5.7 -31.8 16 16 H A < - 0 0 33 -3,-2.4 70,-2.5 69,-0.2 -1,-0.3 -0.112 63.2-126.7 -74.1 178.2 2.5 7.0 -28.8 17 17 H S - 0 0 47 67,-0.2 2,-0.3 68,-0.2 67,-0.2 -0.934 16.4-154.9-127.5 156.3 0.6 10.2 -28.7 18 18 H V E - B 0 83A 1 65,-2.4 65,-2.7 -2,-0.3 2,-0.4 -0.952 3.7-161.1-131.1 145.8 0.8 13.1 -26.2 19 19 H K E - B 0 82A 100 -2,-0.3 2,-0.4 63,-0.2 63,-0.2 -0.984 10.0-175.3-131.4 123.9 -1.7 15.8 -25.2 20 20 H V E - B 0 81A 0 61,-2.7 61,-2.6 -2,-0.4 2,-0.3 -0.916 9.5-151.3-119.4 141.9 -0.6 19.0 -23.5 21 21 H S E - B 0 80A 32 -2,-0.4 -14,-1.8 59,-0.2 2,-0.4 -0.782 7.7-162.9-114.8 159.6 -2.8 21.8 -22.1 22 22 H a E -AB 6 79A 0 57,-2.4 57,-2.7 -2,-0.3 2,-0.5 -0.942 9.1-156.6-138.9 113.9 -2.5 25.5 -21.6 23 23 H K E -AB 5 78A 109 -18,-3.5 -18,-2.6 -2,-0.4 2,-0.4 -0.824 12.5-154.5 -96.5 127.7 -4.8 27.4 -19.3 24 24 H A E +A 4 0A 5 53,-3.0 2,-0.3 -2,-0.5 -20,-0.2 -0.797 18.5 165.5-104.1 141.5 -5.2 31.2 -20.0 25 25 H S E +A 3 0A 45 -22,-1.9 -22,-2.5 -2,-0.4 3,-0.1 -0.979 49.1 49.9-148.0 159.1 -6.2 33.9 -17.5 26 26 H G S S+ 0 0 59 -2,-0.3 2,-0.3 -24,-0.2 -24,-0.1 0.432 104.0 50.4 93.8 0.0 -6.1 37.7 -17.3 27 27 H Y S S- 0 0 41 -24,-0.1 2,-0.9 -26,-0.1 -1,-0.2 -0.960 100.5 -70.7-156.2 172.6 -7.8 38.3 -20.6 28 28 H T > - 0 0 96 -2,-0.3 3,-2.0 1,-0.2 4,-0.4 -0.601 42.6-155.7 -73.8 105.0 -10.8 37.4 -22.9 29 29 H F G > S+ 0 0 12 -2,-0.9 3,-1.1 1,-0.3 -1,-0.2 0.878 90.7 47.3 -51.0 -48.1 -10.0 33.8 -23.9 30 30 H T G 3 S+ 0 0 43 1,-0.2 24,-0.4 23,-0.2 -1,-0.3 0.552 97.1 76.1 -73.2 -7.0 -12.0 33.9 -27.1 31 31 H G G < S+ 0 0 40 -3,-2.0 2,-0.3 22,-0.1 -1,-0.2 0.617 97.1 39.1 -82.3 -13.4 -10.6 37.3 -28.1 32 32 H Y S < S- 0 0 63 -3,-1.1 -1,-0.1 -4,-0.4 2,-0.1 -0.992 80.0-112.4-139.4 148.1 -7.2 36.0 -29.3 33 33 H Y - 0 0 78 -2,-0.3 66,-0.5 19,-0.2 2,-0.4 -0.362 28.0-137.1 -65.7 150.8 -5.7 33.0 -31.1 34 34 H M E -EF 51 98B 0 17,-2.5 17,-2.5 64,-0.1 2,-0.3 -0.940 20.2-162.0-109.3 136.8 -3.5 30.6 -29.2 35 35 H H E -EF 50 97B 0 62,-3.0 62,-2.0 -2,-0.4 2,-0.4 -0.788 9.9-146.1-111.9 159.9 -0.3 29.3 -30.9 36 36 H W E +EF 49 96B 0 13,-2.1 12,-3.3 -2,-0.3 13,-1.0 -0.999 19.2 175.4-126.3 131.0 1.9 26.4 -30.2 37 37 H V E -EF 47 95B 0 58,-2.4 58,-3.5 -2,-0.4 2,-0.3 -0.978 11.4-158.2-130.8 138.1 5.7 26.6 -30.7 38 38 H R E -EF 46 94B 14 8,-2.7 8,-2.2 -2,-0.4 2,-0.4 -0.883 5.9-160.7-119.8 157.4 8.2 23.9 -29.9 39 39 H Q E -EF 45 93B 23 54,-2.0 54,-2.5 -2,-0.3 6,-0.2 -0.947 13.1-144.1-136.8 114.5 12.0 24.0 -29.2 40 40 H A > - 0 0 19 4,-0.6 3,-2.5 -2,-0.4 52,-0.2 -0.458 45.7 -81.4 -73.6 151.7 14.1 20.9 -29.4 41 41 H P T 3 S+ 0 0 65 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 -0.328 116.7 5.1 -60.7 126.5 17.0 20.7 -26.9 42 42 H G T 3 S+ 0 0 52 1,-0.3 2,-0.2 -3,-0.1 -2,-0.1 0.403 119.8 91.5 81.9 -1.0 20.0 22.8 -28.1 43 43 H Q S < S- 0 0 60 -3,-2.5 -1,-0.3 1,-0.2 628,-0.0 -0.513 72.2 -94.0-121.6-175.1 18.0 24.0 -31.1 44 44 H G - 0 0 27 -2,-0.2 -4,-0.6 1,-0.1 2,-0.3 0.139 47.3 -65.7 -91.4-158.1 15.7 26.9 -32.2 45 45 H L E -E 39 0B 17 271,-0.4 2,-0.4 -6,-0.2 270,-0.3 -0.739 36.0-174.3-104.5 140.3 12.0 27.7 -32.5 46 46 H E E -E 38 0B 60 -8,-2.2 -8,-2.7 -2,-0.3 2,-0.2 -0.980 19.3-137.8-133.9 121.2 9.3 26.0 -34.7 47 47 H W E -E 37 0B 12 266,-0.6 -10,-0.3 -2,-0.4 3,-0.1 -0.552 18.0-177.5 -74.8 139.4 5.7 27.2 -35.0 48 48 H M E - 0 0 0 -12,-3.3 13,-2.5 1,-0.4 2,-0.3 0.693 50.2 -69.2-108.6 -30.3 3.2 24.3 -35.0 49 49 H G E -EG 36 60B 0 -13,-1.0 -13,-2.1 11,-0.3 -1,-0.4 -0.861 38.6-110.0 156.8 166.4 -0.1 26.0 -35.5 50 50 H W E -EG 35 59B 38 9,-2.0 9,-2.0 -2,-0.3 2,-0.4 -0.903 14.4-153.1-123.7 161.9 -2.8 28.2 -34.0 51 51 H I E -EG 34 58B 1 -17,-2.5 -17,-2.5 -2,-0.3 7,-0.2 -0.998 13.0-142.1-131.0 139.1 -6.4 27.8 -32.8 52 52 H N >> - 0 0 35 5,-3.5 4,-3.4 -2,-0.4 3,-1.4 -0.873 13.3-163.3 -95.3 107.3 -9.1 30.4 -32.7 53 52AH P T 34 S+ 0 0 0 0, 0.0 -23,-0.2 0, 0.0 -1,-0.1 0.698 83.6 66.1 -69.1 -18.3 -10.9 29.6 -29.4 54 53 H N T 34 S+ 0 0 107 -24,-0.4 -24,-0.1 -25,-0.2 -23,-0.1 0.803 124.7 9.1 -68.7 -28.5 -13.9 31.6 -30.5 55 54 H S T <4 S- 0 0 71 -3,-1.4 -1,-0.1 2,-0.2 3,-0.1 0.575 94.8-115.9-124.5 -23.7 -14.8 29.2 -33.3 56 55 H G < + 0 0 24 -4,-3.4 14,-0.1 1,-0.3 -2,-0.0 0.353 63.7 151.5 90.9 -6.1 -12.5 26.1 -32.9 57 56 H G - 0 0 32 -5,-0.5 -5,-3.5 -6,-0.1 -1,-0.3 -0.295 23.8-169.0 -61.1 142.7 -10.9 27.0 -36.3 58 57 H T E -G 51 0B 53 -7,-0.2 2,-0.3 -3,-0.1 -7,-0.2 -0.883 24.3-161.1-133.6 164.0 -7.3 25.9 -36.7 59 58 H N E -G 50 0B 76 -9,-2.0 -9,-2.0 -2,-0.3 2,-0.3 -0.887 18.5-165.4-145.6 109.4 -4.3 26.4 -38.9 60 59 H Y E -G 49 0B 34 -2,-0.3 -11,-0.3 -11,-0.2 5,-0.1 -0.769 29.1-104.9-100.6 143.5 -1.5 23.8 -38.7 61 60 H A >> - 0 0 16 -13,-2.5 3,-1.8 -2,-0.3 4,-0.7 -0.363 38.1-113.3 -57.6 140.7 2.0 24.0 -40.1 62 61 H Q G >4 S+ 0 0 174 1,-0.3 3,-1.2 2,-0.2 -1,-0.1 0.850 113.5 58.4 -45.4 -45.3 2.3 21.9 -43.2 63 62 H K G 34 S+ 0 0 115 1,-0.3 -1,-0.3 3,-0.0 -2,-0.1 0.751 109.3 44.1 -65.2 -20.1 4.8 19.5 -41.6 64 63 H F G X> S+ 0 0 0 -3,-1.8 3,-2.6 -16,-0.2 4,-2.2 0.468 78.7 126.8-103.5 -2.3 2.3 18.6 -38.8 65 64 H Q T << S+ 0 0 114 -3,-1.2 4,-0.1 -4,-0.7 -3,-0.0 -0.352 82.2 17.1 -56.0 128.1 -0.9 18.2 -40.9 66 65 H G T 34 S+ 0 0 62 2,-0.4 -1,-0.3 -2,-0.1 -2,-0.1 0.312 125.5 59.9 89.5 -10.7 -2.3 14.8 -40.1 67 66 H R T <4 S+ 0 0 22 -3,-2.6 17,-2.4 1,-0.1 2,-0.3 0.610 93.8 63.3-115.1 -29.4 -0.3 14.4 -36.9 68 67 H V E < -C 83 0A 5 -4,-2.2 -2,-0.4 15,-0.2 2,-0.4 -0.749 53.9-172.4-106.2 148.5 -1.4 17.4 -34.8 69 68 H T E -C 82 0A 67 13,-2.6 13,-3.0 -2,-0.3 2,-0.5 -0.962 3.8-166.9-138.2 123.4 -4.8 18.3 -33.3 70 69 H M E +C 81 0A 6 -2,-0.4 2,-0.2 11,-0.2 11,-0.2 -0.931 18.1 157.2-112.8 132.5 -5.6 21.5 -31.6 71 70 H T E -C 80 0A 58 9,-1.6 9,-2.7 -2,-0.5 2,-0.3 -0.775 19.1-154.0-136.5 177.9 -8.8 22.0 -29.5 72 71 H R E -C 79 0A 83 7,-0.3 2,-0.5 -2,-0.2 7,-0.2 -0.989 16.2-143.8-155.1 157.6 -10.1 24.2 -26.7 73 72 H D E > > -C 78 0A 67 5,-2.8 5,-2.0 -2,-0.3 3,-1.1 -0.929 13.8-168.6-122.3 101.1 -12.6 24.2 -23.9 74 73 H T G > 5S+ 0 0 65 -2,-0.5 3,-1.1 1,-0.2 -1,-0.1 0.823 82.2 64.2 -57.1 -33.9 -13.9 27.8 -23.6 75 74 H S G 3 5S+ 0 0 101 1,-0.3 -1,-0.2 2,-0.1 -2,-0.0 0.723 113.7 30.9 -71.1 -24.1 -15.6 27.1 -20.3 76 75 H I G < 5S- 0 0 79 -3,-1.1 -1,-0.3 2,-0.2 -2,-0.2 0.135 107.8-121.0-115.9 17.9 -12.3 26.5 -18.5 77 76 H S T < 5 + 0 0 42 -3,-1.1 -53,-3.0 1,-0.2 2,-0.4 0.852 65.6 142.0 51.2 45.0 -10.3 28.9 -20.7 78 77 H T E < -BC 23 73A 7 -5,-2.0 -5,-2.8 -55,-0.2 2,-0.4 -0.949 38.9-160.7-127.9 134.8 -8.0 26.1 -21.8 79 78 H A E -BC 22 72A 0 -57,-2.7 -57,-2.4 -2,-0.4 2,-0.4 -0.870 13.4-157.2-108.9 147.6 -6.3 25.2 -25.1 80 79 H Y E -BC 21 71A 52 -9,-2.7 -9,-1.6 -2,-0.4 2,-0.4 -0.945 10.4-162.5-125.9 150.0 -5.0 21.7 -25.9 81 80 H M E -BC 20 70A 0 -61,-2.6 -61,-2.7 -2,-0.4 2,-0.5 -0.986 8.6-171.0-128.3 121.7 -2.4 20.4 -28.3 82 81 H E E -BC 19 69A 69 -13,-3.0 -13,-2.6 -2,-0.4 2,-0.5 -0.950 1.1-172.4-112.1 130.7 -2.4 16.7 -29.2 83 82 H L E -BC 18 68A 0 -65,-2.7 -65,-2.4 -2,-0.5 3,-0.2 -0.985 10.3-166.9-124.9 123.7 0.5 15.2 -31.2 84 82AH S + 0 0 31 -17,-2.4 -67,-0.2 -2,-0.5 -68,-0.1 -0.515 58.7 31.6-110.1 172.8 0.4 11.6 -32.4 85 82BH R S S- 0 0 143 -70,-0.6 -1,-0.2 -2,-0.2 -68,-0.2 0.910 84.0-157.3 49.4 51.6 2.7 9.0 -33.9 86 82CH L - 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