==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=17-MAY-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER IMMUNE SYSTEM/VIRAL PROTEIN 19-MAR-13 4JPK . COMPND 2 MOLECULE: PUTATIVE VRC01 GERMLINE PRECURSOR FAB HEAVY CHAIN . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR J.-P.JULIEN,J.JARDINE,W.R.SCHIEF,I.A.WILSON . 598 3 8 8 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 26072.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 403 67.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 16 2.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 217 36.3 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 5 0.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 3 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 6 1.0 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 . 77 12.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 46 7.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 36 6.0 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 2 0 2 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 0 1 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 . 4 8 9 3 7 8 1 0 1 1 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 6 0 1 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 H Q 0 0 206 0, 0.0 2,-0.2 0, 0.0 26,-0.1 0.000 360.0 360.0 360.0 43.1 -4.1 13.3 27.7 2 2 H V + 0 0 41 24,-0.3 2,-0.4 22,-0.1 24,-0.2 -0.335 360.0 171.0 -62.0 120.7 -5.1 10.6 25.3 3 3 H Q E -A 25 0A 109 22,-1.9 22,-1.8 -2,-0.2 2,-0.5 -0.996 19.6-165.2-131.7 139.7 -6.7 11.9 22.1 4 4 H L E -A 24 0A 3 107,-0.4 2,-0.5 -2,-0.4 109,-0.4 -0.984 12.1-169.7-120.0 117.1 -7.7 10.1 18.9 5 5 H V E -A 23 0A 72 18,-2.8 18,-2.9 -2,-0.5 2,-0.2 -0.927 3.2-164.0-115.2 121.9 -8.4 12.3 15.9 6 6 H Q E -A 22 0A 10 -2,-0.5 16,-0.2 16,-0.2 14,-0.0 -0.614 23.0-103.3-101.6 159.3 -10.0 11.0 12.7 7 7 H S - 0 0 36 14,-1.2 -1,-0.1 -2,-0.2 13,-0.0 -0.145 52.5 -75.8 -71.3 171.5 -10.2 12.4 9.2 8 8 H G - 0 0 51 1,-0.1 -1,-0.1 107,-0.1 13,-0.1 -0.099 52.5 -78.8 -77.0 166.8 -13.4 14.0 7.8 9 9 H A - 0 0 72 105,-0.1 2,-0.3 108,-0.1 108,-0.2 -0.161 48.8-156.3 -54.8 150.0 -16.7 12.5 6.5 10 10 H E E -d 117 0B 57 106,-2.4 108,-2.5 2,-0.0 2,-0.5 -0.989 16.4-149.0-138.4 147.5 -16.7 11.1 3.0 11 11 H V E +d 118 0B 80 -2,-0.3 2,-0.4 106,-0.2 108,-0.2 -0.959 27.3 177.4-113.2 125.2 -19.2 10.3 0.2 12 12 H K E -d 119 0B 60 106,-3.0 108,-4.0 -2,-0.5 3,-0.1 -0.967 26.4-128.7-134.5 141.2 -18.3 7.4 -2.0 13 13 H K > - 0 0 100 -2,-0.4 3,-1.7 106,-0.3 73,-0.3 -0.526 47.9 -85.5 -79.0 151.6 -19.9 5.5 -5.0 14 14 H P T 3 S+ 0 0 63 0, 0.0 73,-0.2 0, 0.0 -1,-0.1 -0.253 115.9 32.0 -53.2 144.3 -20.3 1.7 -4.8 15 15 H G T 3 S+ 0 0 45 71,-2.7 70,-0.6 1,-0.3 72,-0.1 0.053 99.2 107.2 94.4 -24.0 -17.2 -0.2 -6.0 16 16 H A < - 0 0 36 -3,-1.7 70,-3.2 70,-0.2 -1,-0.3 -0.064 62.9-127.6 -76.1-178.9 -14.9 2.6 -4.7 17 17 H S - 0 0 49 67,-0.2 2,-0.4 68,-0.2 67,-0.2 -0.913 11.8-152.0-131.9 159.3 -12.7 2.5 -1.6 18 18 H V E - B 0 83A 3 65,-2.1 65,-2.2 -2,-0.3 2,-0.5 -0.981 1.8-156.8-131.8 141.1 -12.2 4.7 1.4 19 19 H K E - B 0 82A 98 -2,-0.4 2,-0.4 63,-0.2 63,-0.2 -0.979 11.1-168.5-119.9 122.1 -9.2 5.3 3.7 20 20 H V E - B 0 81A 0 61,-2.6 61,-2.2 -2,-0.5 2,-0.3 -0.909 8.0-153.9-108.4 132.0 -9.8 6.6 7.2 21 21 H S E - B 0 80A 33 -2,-0.4 -14,-1.2 59,-0.2 2,-0.4 -0.715 7.5-163.5-106.4 157.4 -7.0 7.9 9.3 22 22 H a E -AB 6 79A 0 57,-2.2 57,-2.4 -2,-0.3 2,-0.6 -0.916 5.5-158.5-141.8 110.0 -6.6 8.1 13.1 23 23 H K E -AB 5 78A 101 -18,-2.9 -18,-2.8 -2,-0.4 2,-0.3 -0.808 15.7-159.2 -90.6 121.2 -4.0 10.3 14.7 24 24 H A E +A 4 0A 2 53,-3.3 2,-0.3 -2,-0.6 -20,-0.2 -0.767 17.2 163.0-103.8 146.4 -3.2 9.1 18.3 25 25 H S E +A 3 0A 50 -22,-1.8 -22,-1.9 -2,-0.3 3,-0.1 -0.981 45.0 52.0-154.8 162.7 -1.6 11.2 21.0 26 26 H G S S+ 0 0 38 -2,-0.3 2,-0.3 -24,-0.2 -24,-0.3 0.360 102.4 56.1 89.8 -5.6 -1.1 11.3 24.8 27 27 H Y S S- 0 0 38 -26,-0.1 2,-0.8 -24,-0.1 -1,-0.2 -0.961 99.3 -81.0-147.9 166.5 0.4 7.8 25.0 28 28 H T > - 0 0 114 -2,-0.3 3,-2.0 1,-0.2 4,-0.3 -0.622 42.0-151.2 -73.8 109.3 3.2 5.6 23.6 29 29 H F G > S+ 0 0 16 -2,-0.8 3,-1.3 1,-0.3 -1,-0.2 0.836 89.7 55.0 -51.2 -47.4 1.7 4.5 20.3 30 30 H T G 3 S+ 0 0 62 1,-0.2 -1,-0.3 23,-0.1 24,-0.3 0.618 94.3 74.5 -65.9 -12.5 3.5 1.2 20.0 31 31 H G G < S+ 0 0 34 -3,-2.0 2,-0.3 22,-0.1 -1,-0.2 0.680 95.5 42.9 -77.1 -18.8 2.2 0.2 23.4 32 32 H Y S < S- 0 0 64 -3,-1.3 2,-0.2 -4,-0.3 70,-0.1 -0.961 78.0-115.7-133.7 146.5 -1.4 -0.6 22.4 33 33 H Y - 0 0 20 -2,-0.3 66,-0.5 19,-0.1 2,-0.5 -0.529 30.1-136.2 -71.5 144.3 -3.4 -2.3 19.6 34 34 H M E -EF 51 98B 2 17,-1.9 17,-1.7 -2,-0.2 2,-0.3 -0.912 20.8-161.3-103.7 127.9 -5.6 0.0 17.6 35 35 H H E -EF 50 97B 0 62,-3.3 62,-2.4 -2,-0.5 2,-0.4 -0.745 9.9-146.3-105.5 154.2 -9.1 -1.3 16.8 36 36 H W E +EF 49 96B 0 13,-2.1 12,-2.8 -2,-0.3 13,-1.1 -0.987 19.6 176.2-117.2 134.6 -11.6 -0.2 14.2 37 37 H V E -EF 47 95B 0 58,-3.0 58,-2.8 -2,-0.4 2,-0.3 -0.997 10.3-158.1-137.7 128.5 -15.4 -0.4 15.0 38 38 H R E -EF 46 94B 24 8,-2.3 8,-2.2 -2,-0.4 2,-0.4 -0.746 5.2-162.5-109.7 157.5 -18.3 0.7 12.8 39 39 H Q E - F 0 93B 22 54,-2.2 54,-2.5 -2,-0.3 6,-0.1 -0.912 9.4-151.0-139.7 110.0 -21.9 1.7 13.4 40 40 H A > - 0 0 22 4,-0.5 3,-1.9 -2,-0.4 52,-0.2 -0.393 47.6 -78.7 -68.2 154.7 -24.6 1.8 10.8 41 41 H P T 3 S+ 0 0 96 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 -0.381 116.1 3.4 -58.6 128.5 -27.4 4.4 11.5 42 42 H G T 3 S+ 0 0 93 1,-0.3 2,-0.2 -2,-0.1 -2,-0.1 0.491 117.6 98.5 77.5 3.9 -29.9 3.1 14.0 43 43 H Q S < S- 0 0 126 -3,-1.9 -1,-0.3 1,-0.2 275,-0.0 -0.540 71.0 -94.8-120.2-177.1 -27.8 -0.0 14.5 44 44 H G - 0 0 29 -2,-0.2 -4,-0.5 1,-0.1 2,-0.4 0.111 46.4 -74.6 -87.0-164.0 -25.3 -1.5 16.9 45 45 H L - 0 0 16 272,-0.4 2,-0.4 -6,-0.1 271,-0.3 -0.836 39.1-170.6 -99.8 134.1 -21.5 -1.7 17.1 46 46 H E E -E 38 0B 59 -8,-2.2 -8,-2.3 -2,-0.4 2,-0.3 -0.990 18.8-132.6-127.1 125.7 -19.5 -4.1 14.9 47 47 H W E -E 37 0B 7 267,-0.6 -10,-0.2 -2,-0.4 3,-0.1 -0.567 20.5-178.9 -75.3 133.0 -15.8 -4.9 15.3 48 48 H M E - 0 0 0 -12,-2.8 13,-3.2 1,-0.3 2,-0.3 0.840 50.8 -69.3 -99.2 -43.9 -13.7 -4.8 12.1 49 49 H G E -EG 36 60B 0 -13,-1.1 -13,-2.1 11,-0.3 -1,-0.3 -0.911 36.2-107.7 166.9 165.3 -10.2 -5.7 13.3 50 50 H W E -EG 35 59B 1 9,-2.3 9,-1.9 -2,-0.3 2,-0.4 -0.815 16.9-152.0-113.2 160.9 -7.1 -4.8 15.2 51 51 H I E -EG 34 58B 1 -17,-1.7 -17,-1.9 -2,-0.3 7,-0.2 -1.000 14.3-138.7-129.3 133.2 -3.6 -3.8 14.1 52 52 H N >> - 0 0 0 5,-3.6 4,-3.4 -2,-0.4 3,-0.5 -0.834 15.6-164.0 -85.9 107.7 -0.4 -4.3 16.1 53 52AH P T 34 S+ 0 0 1 0, 0.0 21,-0.2 0, 0.0 -1,-0.1 0.656 85.4 57.5 -71.3 -15.6 1.4 -1.0 15.6 54 53 H N T 34 S+ 0 0 60 -24,-0.3 -24,-0.1 -25,-0.1 420,-0.1 0.817 126.7 14.5 -82.1 -33.1 4.7 -2.6 16.8 55 54 H S T <4 S- 0 0 0 -3,-0.5 517,-3.3 418,-0.2 520,-0.2 0.565 93.4-124.5-116.3 -17.2 4.7 -5.3 14.2 56 55 H G < + 0 0 7 -4,-3.4 14,-0.1 1,-0.3 418,-0.1 0.468 61.2 149.2 76.8 0.5 2.1 -4.2 11.7 57 56 H G - 0 0 2 -5,-0.4 -5,-3.6 416,-0.3 -1,-0.3 -0.352 27.7-163.0 -61.8 145.5 0.4 -7.6 12.3 58 57 H T E -G 51 0B 5 512,-0.3 2,-0.3 -7,-0.2 511,-0.3 -0.867 24.0-162.0-131.2 163.6 -3.3 -7.6 11.9 59 58 H N E -G 50 0B 0 -9,-1.9 -9,-2.3 -2,-0.3 2,-0.3 -0.919 19.3-171.0-143.2 118.2 -6.4 -9.6 12.7 60 59 H Y E -G 49 0B 14 -2,-0.3 399,-0.7 -11,-0.2 -11,-0.3 -0.833 31.9-100.9-108.7 148.9 -9.6 -8.8 10.8 61 60 H A B >> -j 459 0C 3 -13,-3.2 3,-1.9 -2,-0.3 4,-0.7 -0.378 37.5-115.2 -59.3 145.1 -13.1 -10.1 11.4 62 61 H Q G >4 S+ 0 0 24 397,-1.9 3,-0.6 1,-0.3 -1,-0.1 0.797 113.5 60.3 -56.1 -32.2 -13.9 -12.9 9.0 63 62 H K G 34 S+ 0 0 116 1,-0.2 -1,-0.3 398,-0.2 397,-0.1 0.592 109.5 43.4 -75.1 -8.1 -16.7 -10.9 7.2 64 63 H F G X> S+ 0 0 2 -3,-1.9 3,-2.1 -16,-0.2 4,-1.4 0.464 79.1 125.0-113.8 -4.5 -14.1 -8.3 6.2 65 64 H Q T << S+ 0 0 53 -4,-0.7 4,-0.1 -3,-0.6 -3,-0.0 -0.368 77.7 22.7 -60.3 128.4 -11.2 -10.6 5.1 66 65 H G T 34 S+ 0 0 81 2,-0.4 -1,-0.3 -2,-0.1 3,-0.1 0.208 123.7 53.2 100.4 -14.0 -10.2 -9.7 1.5 67 66 H R T <4 S+ 0 0 46 -3,-2.1 17,-2.3 1,-0.1 2,-0.4 0.532 93.5 70.6-128.6 -13.8 -11.6 -6.1 1.5 68 67 H V E < -C 83 0A 4 -4,-1.4 -2,-0.4 15,-0.2 2,-0.4 -0.867 50.7-178.6-111.1 141.3 -10.1 -4.5 4.6 69 68 H T E -C 82 0A 71 13,-1.8 13,-2.0 -2,-0.4 2,-0.5 -0.949 5.4-168.0-138.6 118.5 -6.5 -3.4 5.0 70 69 H M E +C 81 0A 5 -2,-0.4 2,-0.3 11,-0.2 11,-0.2 -0.906 16.4 158.7-106.5 133.5 -5.1 -1.8 8.2 71 70 H T E -C 80 0A 65 9,-1.4 9,-2.9 -2,-0.5 2,-0.3 -0.845 19.4-151.2-135.9 175.7 -1.7 -0.2 8.4 72 71 H R E -C 79 0A 47 -2,-0.3 2,-0.5 7,-0.3 7,-0.3 -0.989 14.5-143.7-148.0 157.1 0.0 2.4 10.6 73 72 H D E > > -C 78 0A 60 5,-3.3 5,-1.9 -2,-0.3 3,-1.4 -0.890 13.0-173.9-120.2 97.9 2.7 5.0 10.4 74 73 H T G > 5S+ 0 0 72 -2,-0.5 3,-0.9 1,-0.3 -1,-0.1 0.811 79.8 71.5 -61.6 -30.0 4.6 5.0 13.8 75 74 H S G 3 5S+ 0 0 96 1,-0.2 -1,-0.3 -3,-0.1 -2,-0.0 0.816 115.0 21.9 -52.5 -36.0 6.5 8.0 12.6 76 75 H I G < 5S- 0 0 72 -3,-1.4 -1,-0.2 2,-0.2 -2,-0.2 0.193 107.8-113.5-121.8 15.4 3.4 10.2 12.9 77 76 H S T < 5 + 0 0 32 -3,-0.9 -53,-3.3 -4,-0.4 2,-0.4 0.867 69.7 140.1 54.0 43.6 1.3 8.1 15.4 78 77 H T E < -BC 23 73A 7 -5,-1.9 -5,-3.3 -55,-0.2 2,-0.3 -0.964 36.5-165.4-127.1 128.9 -1.3 7.4 12.8 79 78 H A E -BC 22 72A 0 -57,-2.4 -57,-2.2 -2,-0.4 2,-0.3 -0.727 12.4-155.3-101.6 155.8 -3.3 4.3 12.0 80 79 H Y E -BC 21 71A 55 -9,-2.9 -9,-1.4 -2,-0.3 2,-0.4 -0.979 9.8-162.9-134.9 146.0 -5.3 3.7 8.8 81 80 H M E -BC 20 70A 0 -61,-2.2 -61,-2.6 -2,-0.3 2,-0.5 -0.990 10.3-166.6-130.0 122.9 -8.2 1.6 7.8 82 81 H E E -BC 19 69A 65 -13,-2.0 -13,-1.8 -2,-0.4 2,-0.6 -0.941 5.0-172.9-118.1 120.8 -8.9 1.0 4.2 83 82 H L E -BC 18 68A 0 -65,-2.2 -65,-2.1 -2,-0.5 3,-0.2 -0.938 13.3-169.3-114.6 116.9 -12.2 -0.5 3.0 84 82AH S + 0 0 43 -17,-2.3 -67,-0.2 -2,-0.6 -68,-0.2 -0.581 58.3 30.5-106.8 164.5 -12.4 -1.4 -0.7 85 82BH R S S- 0 0 195 -70,-0.6 -1,-0.2 -2,-0.2 -68,-0.2 0.968 84.5-152.2 56.0 58.2 -15.2 -2.3 -3.1 86 82CH L - 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