Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 6pyu_B.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ALA 8.A N ASN 5.A OD1 no hydrogen 2.775 N/A VAL 9.A N ASN 5.A O no hydrogen 3.093 N/A GLY 10.A N ILE 6.A O no hydrogen 2.750 N/A LYS 11.A N GLU 7.A O no hydrogen 2.999 N/A LYS 12.A N ALA 8.A O no hydrogen 3.159 N/A LYS 12.A NZ ASP 4.A OD2 no hydrogen 3.026 N/A LEU 13.A N VAL 9.A O no hydrogen 2.831 N/A HIS 14.A N GLY 10.A O no hydrogen 3.133 N/A HIS 14.A ND1 TRP 158.A O no hydrogen 2.832 N/A GLU 15.A N LYS 11.A O no hydrogen 2.959 N/A TYR 16.A N LYS 12.A O no hydrogen 2.852 N/A ASN 17.A N LEU 13.A O no hydrogen 2.801 N/A THR 18.A N HIS 14.A O no hydrogen 2.924 N/A THR 18.A OG1 HIS 14.A O no hydrogen 3.091 N/A GLN 19.A N GLU 15.A O no hydrogen 2.879 N/A PHE 20.A N TYR 16.A O no hydrogen 2.881 N/A GLN 21.A N ASN 17.A O no hydrogen 2.856 N/A GLU 22.A N THR 18.A O no hydrogen 3.028 N/A LYS 23.A N GLN 19.A O no hydrogen 3.087 N/A SER 24.A N PHE 20.A O no hydrogen 2.952 N/A SER 24.A N GLN 21.A O no hydrogen 3.139 N/A SER 24.A OG PHE 20.A O no hydrogen 3.442 N/A ARG 25.A N GLN 21.A O no hydrogen 3.013 N/A GLU 26.A N GLU 22.A O no hydrogen 3.026 N/A TYR 27.A N LYS 23.A O no hydrogen 3.206 N/A ASP 28.A N SER 24.A O no hydrogen 2.855 N/A ARG 29.A N ARG 25.A O no hydrogen 3.017 N/A LEU 30.A N GLU 26.A O no hydrogen 3.126 N/A TYR 31.A N TYR 27.A O no hydrogen 2.915 N/A GLU 32.A N ASP 28.A O no hydrogen 3.036 N/A GLU 32.A N ARG 29.A O no hydrogen 3.197 N/A ASP 33.A N ARG 29.A O no hydrogen 3.203 N/A TYR 34.A N LEU 30.A O no hydrogen 2.746 N/A THR 35.A N TYR 31.A O no hydrogen 3.073 N/A THR 35.A OG1 TYR 31.A O no hydrogen 2.643 N/A THR 35.A OG1 GLU 32.A O no hydrogen 2.577 N/A ARG 36.A N GLU 32.A O no hydrogen 2.675 N/A THR 37.A N ASP 33.A O no hydrogen 2.677 N/A THR 37.A OG1 ASP 33.A O no hydrogen 2.728 N/A SER 38.A N TYR 34.A O no hydrogen 3.002 N/A SER 38.A OG TYR 34.A O no hydrogen 2.446 N/A GLN 39.A N THR 35.A O no hydrogen 3.034 N/A GLU 40.A N ARG 36.A O no hydrogen 3.021 N/A ILE 41.A N THR 37.A O no hydrogen 2.836 N/A GLN 42.A N SER 38.A O no hydrogen 3.267 N/A MET 43.A N GLN 39.A O no hydrogen 3.102 N/A LYS 44.A N GLU 40.A O no hydrogen 2.794 N/A LYS 44.A NZ GLN 113.A OE1 no hydrogen 3.209 N/A ARG 45.A N ILE 41.A O no hydrogen 2.877 N/A THR 46.A N GLN 42.A O no hydrogen 3.097 N/A THR 46.A OG1 GLN 42.A O no hydrogen 3.155 N/A THR 46.A OG1 MET 43.A O no hydrogen 2.725 N/A ALA 47.A N MET 43.A O no hydrogen 2.974 N/A ILE 48.A N LYS 44.A O no hydrogen 2.870 N/A GLU 49.A N ARG 45.A O no hydrogen 3.107 N/A ALA 50.A N THR 46.A O no hydrogen 2.817 N/A PHE 51.A N ALA 47.A O no hydrogen 2.894 N/A ASN 52.A N ILE 48.A O no hydrogen 2.953 N/A GLU 53.A N GLU 49.A O no hydrogen 2.969 N/A THR 54.A N ALA 50.A O no hydrogen 2.982 N/A THR 54.A OG1 ALA 50.A O no hydrogen 2.876 N/A ILE 55.A N PHE 51.A O no hydrogen 2.842 N/A LYS 56.A N ASN 52.A O no hydrogen 2.822 N/A ILE 57.A N GLU 53.A O no hydrogen 3.304 N/A PHE 58.A N THR 54.A O no hydrogen 3.306 N/A GLU 59.A N ILE 55.A O no hydrogen 2.939 N/A GLU 60.A N LYS 56.A O no hydrogen 3.072 N/A GLN 61.A N ILE 57.A O no hydrogen 2.940 N/A CYS 62.A N PHE 58.A O no hydrogen 2.977 N/A CYS 62.A SG PHE 58.A O no hydrogen 3.444 N/A GLN 63.A N GLU 59.A O no hydrogen 2.976 N/A THR 64.A N GLU 60.A O no hydrogen 2.718 N/A THR 64.A OG1 GLU 60.A O no hydrogen 3.061 N/A GLN 65.A N GLN 61.A O no hydrogen 2.724 N/A GLU 66.A N CYS 62.A O no hydrogen 2.885 N/A ARG 67.A N GLN 63.A O no hydrogen 2.992 N/A TYR 68.A N THR 64.A O no hydrogen 2.759 N/A SER 69.A N GLN 65.A O no hydrogen 2.939 N/A SER 69.A OG GLN 65.A O no hydrogen 2.810 N/A SER 69.A OG GLU 66.A O no hydrogen 3.374 N/A LYS 70.A N GLU 66.A O no hydrogen 3.342 N/A TYR 72.A N SER 69.A O no hydrogen 2.860 N/A ILE 73.A N SER 69.A O no hydrogen 2.767 N/A ILE 73.A N LYS 70.A O no hydrogen 2.994 N/A LYS 75.A N TYR 72.A O no hydrogen 3.239 N/A PHE 76.A N GLU 74.A O no hydrogen 2.741 N/A GLU 79.A N GLY 77.A O no hydrogen 3.129 N/A GLN 83.A N GLU 79.A O no hydrogen 3.460 N/A ARG 84.A N THR 80.A O no hydrogen 3.295 N/A ILE 85.A N GLU 81.A O no hydrogen 3.064 N/A MET 86.A N ILE 82.A O no hydrogen 2.951 N/A HIS 87.A N GLN 83.A O no hydrogen 2.894 N/A ASN 88.A N ARG 84.A O no hydrogen 3.033 N/A TYR 89.A N ILE 85.A O no hydrogen 3.188 N/A GLU 90.A N MET 86.A O no hydrogen 2.701 N/A LYS 91.A N HIS 87.A O no hydrogen 2.794 N/A LEU 92.A N ASN 88.A O no hydrogen 3.041 N/A LYS 93.A N TYR 89.A O no hydrogen 3.121 N/A LYS 93.A NZ GLU 90.A OE1 no hydrogen 3.459 N/A LYS 93.A NZ GLU 90.A OE2 no hydrogen 3.352 N/A SER 94.A N GLU 90.A O no hydrogen 2.999 N/A ARG 95.A N LYS 91.A O no hydrogen 3.266 N/A ARG 95.A N LEU 92.A O no hydrogen 2.905 N/A ARG 95.A NH1 GLU 98.A OE1 no hydrogen 2.715 N/A ILE 96.A N LEU 92.A O no hydrogen 3.236 N/A SER 97.A N LYS 93.A O no hydrogen 3.496 N/A GLU 98.A N ARG 95.A O no hydrogen 3.198 N/A ILE 99.A N ARG 95.A O no hydrogen 3.164 N/A VAL 100.A N ILE 96.A O no hydrogen 2.658 N/A ASP 101.A N SER 97.A O no hydrogen 2.909 N/A SER 102.A N GLU 98.A O no hydrogen 2.942 N/A SER 102.A OG GLU 98.A O no hydrogen 3.257 N/A ARG 103.A N ILE 99.A O no hydrogen 2.881 N/A ARG 103.A NE GLU 107.A OE1 no hydrogen 2.667 N/A ARG 103.A NH1 ASN 52.A OD1 no hydrogen 3.022 N/A ARG 103.A NH2 GLU 107.A OE1 no hydrogen 3.205 N/A ARG 104.A N VAL 100.A O no hydrogen 2.875 N/A ARG 104.A NH1 GLU 108.A OE1 no hydrogen 3.535 N/A ARG 104.A NH2 ASP 101.A OD1 no hydrogen 2.531 N/A ARG 105.A N ASP 101.A O no hydrogen 3.019 N/A ARG 105.A NH1 SER 102.A OG no hydrogen 3.191 N/A ARG 105.A NH2 ASP 101.A OD2 no hydrogen 2.614 N/A ARG 105.A NH2 SER 102.A OG no hydrogen 3.157 N/A LEU 106.A N SER 102.A O no hydrogen 3.071 N/A GLU 107.A N ARG 103.A O no hydrogen 3.039 N/A GLU 108.A N ARG 104.A O no hydrogen 3.095 N/A GLU 108.A N ARG 105.A O no hydrogen 3.151 N/A ASP 109.A N ARG 105.A O no hydrogen 3.159 N/A LEU 110.A N LEU 106.A O no hydrogen 3.117 N/A LYS 111.A N GLU 107.A O no hydrogen 3.124 N/A LYS 112.A N GLU 108.A O no hydrogen 3.063 N/A GLN 113.A N ASP 109.A O no hydrogen 2.755 N/A GLN 113.A NE2 GLU 40.A OE1 no hydrogen 2.528 N/A ALA 114.A N LEU 110.A O no hydrogen 2.824 N/A ALA 115.A N LYS 111.A O no hydrogen 3.356 N/A ALA 115.A N LYS 112.A O no hydrogen 3.047 N/A GLU 116.A N LYS 112.A O no hydrogen 3.029 N/A TYR 117.A N GLN 113.A O no hydrogen 2.916 N/A ARG 118.A N ALA 114.A O no hydrogen 3.337 N/A GLU 119.A N ALA 115.A O no hydrogen 3.036 N/A ILE 120.A N GLU 116.A O no hydrogen 2.994 N/A ASP 121.A N TYR 117.A O no hydrogen 3.231 N/A LYS 122.A N ARG 118.A O no hydrogen 2.990 N/A ARG 123.A N GLU 119.A O no hydrogen 2.680 N/A MET 124.A N ILE 120.A O no hydrogen 2.684 N/A ASN 125.A N ASP 121.A O no hydrogen 3.081 N/A ASN 125.A N LYS 122.A O no hydrogen 2.880 N/A SER 126.A N LYS 122.A O no hydrogen 3.099 N/A SER 126.A OG LYS 122.A O no hydrogen 3.334 N/A SER 126.A OG ARG 123.A O no hydrogen 3.161 N/A ILE 127.A N MET 124.A O no hydrogen 3.335 N/A LYS 128.A N MET 124.A O no hydrogen 3.277 N/A LYS 128.A NZ ASN 125.A OD1 no hydrogen 2.884 N/A LEU 131.A N ILE 127.A O no hydrogen 3.016 N/A ILE 132.A N LYS 128.A O no hydrogen 2.851 N/A GLN 133.A N PRO 129.A O no hydrogen 2.818 N/A GLN 133.A NE2 GLN 133.A O no hydrogen 3.182 N/A GLN 133.A NE2 THR 137.A OG1 no hydrogen 3.150 N/A LEU 134.A N ASP 130.A O no hydrogen 2.654 N/A ARG 135.A N LEU 131.A O no hydrogen 2.908 N/A ARG 135.A N ILE 132.A O no hydrogen 3.032 N/A LYS 136.A N ILE 132.A O no hydrogen 2.953 N/A THR 137.A N GLN 133.A O no hydrogen 2.883 N/A THR 137.A OG1 GLN 133.A O no hydrogen 2.902 N/A ARG 138.A N LEU 134.A O no hydrogen 3.324 N/A ARG 138.A NE ASP 139.A OD1 no hydrogen 3.095 N/A ARG 138.A NH1 ASN 17.A OD1 no hydrogen 2.761 N/A ARG 138.A NH2 ASP 139.A OD1 no hydrogen 3.304 N/A ASP 139.A N ARG 135.A O no hydrogen 2.881 N/A GLN 140.A N LYS 136.A O no hydrogen 2.788 N/A TYR 141.A N THR 137.A O no hydrogen 3.136 N/A LEU 142.A N ARG 138.A O no hydrogen 3.196 N/A MET 143.A N ASP 139.A O no hydrogen 3.094 N/A TRP 144.A N GLN 140.A O no hydrogen 2.997 N/A LEU 145.A N TYR 141.A O no hydrogen 2.963 N/A THR 146.A N LEU 142.A O no hydrogen 2.862 N/A THR 146.A OG1 LEU 142.A O no hydrogen 2.887 N/A GLN 147.A N MET 143.A O no hydrogen 2.937 N/A LYS 148.A N TRP 144.A O no hydrogen 2.947 N/A GLY 149.A N THR 146.A O no hydrogen 2.907 N/A VAL 150.A N LEU 145.A O no hydrogen 3.014 N/A GLN 152.A NE2 GLN 152.A O no hydrogen 2.856 N/A GLN 152.A NE2 ASN 156.A OD1 no hydrogen 2.760 N/A LYS 154.A N ARG 151.A O no hydrogen 3.033 N/A LEU 155.A N ARG 151.A O no hydrogen 3.376 N/A ASN 156.A N GLN 152.A O no hydrogen 2.834 N/A GLU 157.A N LYS 153.A O no hydrogen 3.337 N/A TRP 158.A N LYS 154.A O no hydrogen 3.152 N/A LEU 159.A N LEU 155.A O no hydrogen 3.049 N/A LEU 159.A N ASN 156.A O no hydrogen 2.947 N/A