Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3jxy_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): HIS 3.A N GLU 68.A OE1 no hydrogen 3.027 N/A LYS 7.A N HIS 3.A O no hydrogen 2.915 N/A ALA 8.A N PRO 4.A O no hydrogen 2.918 N/A LEU 9.A N PHE 5.A O no hydrogen 3.020 N/A GLN 10.A N VAL 6.A O no hydrogen 2.851 N/A GLU 11.A N LYS 7.A O no hydrogen 2.963 N/A HIS 12.A N ALA 8.A O no hydrogen 2.979 N/A HIS 12.A NE2 ASP 49.A OD1 no hydrogen 2.778 N/A PHE 13.A N LEU 9.A O no hydrogen 2.863 N/A THR 14.A N GLN 10.A O no hydrogen 2.958 N/A THR 14.A OG1 GLN 10.A O no hydrogen 2.732 N/A ALA 15.A N GLU 11.A O no hydrogen 3.037 N/A HIS 16.A N PHE 13.A O no hydrogen 2.941 N/A GLN 17.A N THR 14.A O no hydrogen 3.193 N/A ASN 18.A N LEU 36.A O no hydrogen 2.830 N/A GLU 20.A N GLU 20.A OE1 no hydrogen 2.765 N/A LYS 21.A N ASN 18.A OD1 no hydrogen 2.933 N/A ALA 22.A N ASN 18.A O no hydrogen 2.874 N/A MET 25.A N LYS 21.A O no hydrogen 3.101 N/A ALA 26.A N ALA 22.A O no hydrogen 2.880 N/A ARG 27.A N GLU 23.A O no hydrogen 3.053 N/A TYR 28.A N PRO 24.A O no hydrogen 2.975 N/A MET 29.A N ALA 26.A O no hydrogen 3.169 N/A LYS 30.A N ARG 27.A O no hydrogen 2.944 N/A ASN 31.A N ALA 26.A O no hydrogen 2.837 N/A HIS 32.A N MET 29.A O no hydrogen 3.218 N/A LEU 36.A N GLU 76.A OE1 no hydrogen 2.816 N/A GLY 37.A N GLU 76.A OE2 no hydrogen 2.734 N/A ILE 38.A N GLU 76.A OE2 no hydrogen 2.894 N/A ARG 43.A N GLN 39.A O no hydrogen 2.905 N/A ARG 43.A NH1 THR 40.A OG1 no hydrogen 3.210 N/A ARG 43.A NH2 ASP 83.A OD1 no hydrogen 3.555 N/A ARG 43.A NH2 ASP 83.A OD2 no hydrogen 2.817 N/A ARG 44.A N THR 40.A O no hydrogen 2.907 N/A ARG 44.A NE ASP 83.A OD1 no hydrogen 3.004 N/A ARG 44.A NE ASP 83.A OD2 no hydrogen 3.465 N/A ARG 44.A NH1 ASP 83.A OD1 no hydrogen 3.428 N/A GLN 45.A N PRO 41.A O no hydrogen 3.194 N/A GLN 45.A NE2 ASP 49.A OD2 no hydrogen 2.904 N/A LEU 46.A N GLU 42.A O no hydrogen 2.842 N/A LEU 47.A N ARG 43.A O no hydrogen 3.096 N/A LYS 48.A N ARG 44.A O no hydrogen 2.972 N/A ASP 49.A N GLN 45.A O no hydrogen 2.831 N/A ILE 50.A N LEU 46.A O no hydrogen 3.274 N/A ILE 51.A N LEU 47.A O no hydrogen 2.958 N/A GLN 52.A N LYS 48.A O no hydrogen 2.910 N/A ILE 53.A N ASP 49.A O no hydrogen 3.102 N/A HIS 54.A N ILE 50.A O no hydrogen 2.883 N/A THR 55.A N ILE 51.A O no hydrogen 2.722 N/A THR 55.A OG1 HIS 54.A O no hydrogen 2.486 N/A LYS 60.A N ASP 58.A OD1 no hydrogen 2.920 N/A ASP 61.A N ASP 58.A O no hydrogen 2.904 N/A PHE 62.A N GLN 59.A O no hydrogen 3.014 N/A ILE 65.A N ASP 61.A O no hydrogen 2.931 N/A ILE 66.A N PHE 62.A O no hydrogen 3.121 N/A ARG 67.A N GLN 63.A O no hydrogen 3.026 N/A GLU 68.A N ILE 64.A O no hydrogen 3.013 N/A LEU 69.A N ILE 65.A O no hydrogen 3.070 N/A TRP 70.A N ILE 66.A O no hydrogen 2.863 N/A TRP 70.A NE1 THR 106.A O no hydrogen 2.979 N/A ASP 71.A N ARG 67.A O no hydrogen 2.979 N/A ASP 71.A N GLU 68.A O no hydrogen 3.281 N/A LEU 72.A N LEU 69.A O no hydrogen 3.216 N/A GLU 74.A N GLU 74.A OE1 no hydrogen 2.783 N/A ARG 75.A N LEU 34.A O no hydrogen 2.891 N/A ARG 75.A NE ASP 111.A OD2 no hydrogen 2.922 N/A ARG 75.A NH1 GLN 78.A OE1 no hydrogen 3.035 N/A ARG 75.A NH1 LYS 107.A O no hydrogen 2.942 N/A ARG 75.A NH2 LYS 107.A O no hydrogen 3.192 N/A ARG 75.A NH2 ASP 111.A OD1 no hydrogen 2.805 N/A ARG 75.A NH2 ASP 111.A OD2 no hydrogen 3.519 N/A GLU 76.A N GLU 76.A OE1 no hydrogen 2.826 N/A PHE 77.A N GLU 74.A O no hydrogen 3.012 N/A GLN 78.A N ARG 75.A O no hydrogen 3.015 N/A GLN 78.A NE2 LEU 69.A O no hydrogen 3.153 N/A GLN 78.A NE2 LEU 72.A O no hydrogen 2.958 N/A GLN 78.A NE2 GLU 74.A O no hydrogen 3.565 N/A ALA 79.A N ARG 75.A O no hydrogen 3.131 N/A ALA 80.A N GLU 76.A O no hydrogen 2.858 N/A ALA 81.A N PHE 77.A O no hydrogen 2.942 N/A LEU 82.A N GLN 78.A O no hydrogen 3.047 N/A ASP 83.A N ALA 79.A O no hydrogen 3.083 N/A ILE 84.A N ALA 80.A O no hydrogen 2.876 N/A MET 85.A N ALA 81.A O no hydrogen 2.846 N/A GLN 86.A N LEU 82.A O no hydrogen 3.179 N/A TYR 88.A N MET 85.A O no hydrogen 2.963 N/A TYR 88.A OH PRO 57.A O no hydrogen 2.651 N/A LYS 89.A N GLN 86.A O no hydrogen 3.132 N/A LYS 89.A NZ ASP 123.A OD1 no hydrogen 2.730 N/A HIS 91.A N TYR 88.A O no hydrogen 2.834 N/A ILE 92.A N LYS 89.A O no hydrogen 3.147 N/A GLU 94.A N GLU 94.A OE1 no hydrogen 2.752 N/A THR 95.A N ASN 93.A OD1 no hydrogen 2.872 N/A THR 95.A OG1 ASN 93.A OD1 no hydrogen 2.584 N/A HIS 96.A N ASN 93.A O no hydrogen 2.963 N/A ILE 97.A N GLU 94.A O no hydrogen 3.246 N/A LEU 100.A N HIS 96.A O no hydrogen 2.905 N/A GLU 101.A N ILE 97.A O no hydrogen 2.806 N/A GLU 102.A N PRO 98.A O no hydrogen 2.995 N/A LEU 103.A N PHE 99.A O no hydrogen 3.248 N/A ILE 104.A N LEU 100.A O no hydrogen 3.029 N/A VAL 105.A N GLU 101.A O no hydrogen 3.133 N/A THR 106.A N LEU 103.A O no hydrogen 3.490 N/A THR 106.A OG1 GLU 102.A O no hydrogen 2.810 N/A LYS 107.A NZ TRP 70.A O no hydrogen 2.845 N/A SER 108.A OG ILE 104.A O no hydrogen 2.702 N/A SER 112.A OG LYS 107.A O no hydrogen 3.535 N/A SER 112.A OG TRP 109.A O no hydrogen 3.262 N/A VAL 113.A N TRP 109.A O no hydrogen 3.133 N/A ASP 114.A N TRP 110.A O no hydrogen 2.982 N/A SER 115.A N ASP 111.A O no hydrogen 3.355 N/A SER 115.A N SER 112.A O no hydrogen 3.062 N/A SER 115.A OG ASP 111.A O no hydrogen 3.134 N/A ILE 116.A N SER 112.A O no hydrogen 3.084 N/A ILE 116.A N VAL 113.A O no hydrogen 3.185 N/A VAL 117.A N VAL 113.A O no hydrogen 3.058 N/A THR 119.A OG1 SER 115.A O no hydrogen 3.108 N/A LEU 121.A N ILE 116.A O no hydrogen 3.328 N/A GLY 122.A N VAL 117.A O no hydrogen 2.855 N/A ASP 123.A N THR 119.A O no hydrogen 2.914 N/A ILE 124.A N PHE 120.A O no hydrogen 3.284 N/A PHE 125.A N LEU 121.A O no hydrogen 2.976 N/A LEU 126.A N GLY 122.A O no hydrogen 3.026 N/A LYS 127.A N ASP 123.A O no hydrogen 3.205 N/A HIS 128.A N ILE 124.A O no hydrogen 2.872 N/A GLU 130.A N GLU 130.A OE1 no hydrogen 2.764 N/A LEU 131.A N HIS 128.A O no hydrogen 3.038 N/A ILE 132.A N PRO 129.A O no hydrogen 3.139 N/A ALA 134.A N LEU 131.A O no hydrogen 2.952 N/A TYR 135.A N ILE 132.A O no hydrogen 3.044 N/A ILE 136.A N ILE 132.A O no hydrogen 2.877 N/A LYS 138.A NZ GLU 101.A OE2 no hydrogen 2.753 N/A TRP 139.A N TYR 135.A O no hydrogen 3.003 N/A TRP 139.A NE1 GLU 101.A OE2 no hydrogen 2.698 N/A ILE 140.A N ILE 136.A O no hydrogen 3.023 N/A ALA 141.A N PRO 137.A O no hydrogen 3.093 N/A SER 142.A N TRP 139.A O no hydrogen 3.383 N/A SER 142.A OG TRP 139.A O no hydrogen 2.813 N/A SER 142.A OG ASN 144.A O no hydrogen 3.524 N/A ASN 144.A N SER 142.A OG no hydrogen 3.144 N/A TRP 146.A N ASN 144.A OD1 no hydrogen 2.897 N/A LEU 147.A N ASN 144.A OD1 no hydrogen 3.208 N/A GLN 148.A N ASN 144.A O no hydrogen 3.118 N/A GLN 148.A NE2 ILE 140.A O no hydrogen 3.249 N/A GLN 148.A NE2 SER 142.A O no hydrogen 3.289 N/A ARG 149.A N ILE 145.A O no hydrogen 2.825 N/A ARG 149.A NE ASP 114.A OD1 no hydrogen 3.133 N/A ARG 149.A NH1 PHE 181.A O no hydrogen 2.853 N/A ARG 149.A NH2 ASP 114.A OD1 no hydrogen 3.131 N/A ARG 149.A NH2 ASP 114.A OD2 no hydrogen 3.103 N/A ALA 150.A N TRP 146.A O no hydrogen 2.894 N/A ALA 151.A N LEU 147.A O no hydrogen 3.024 N/A ILE 152.A N GLN 148.A O no hydrogen 3.228 N/A LEU 153.A N ARG 149.A O no hydrogen 2.915 N/A PHE 154.A N ALA 150.A O no hydrogen 3.045 N/A LEU 156.A N LEU 153.A O no hydrogen 2.963 N/A TYR 158.A N GLN 155.A O no hydrogen 2.971 N/A TYR 158.A OH GLY 122.A O no hydrogen 2.695 N/A LYS 161.A N TYR 158.A O no hydrogen 2.850 N/A MET 162.A N LYS 159.A O no hydrogen 2.983 N/A ASP 163.A N GLN 155.A OE1 no hydrogen 3.119 N/A LEU 166.A N ASP 163.A OD1 no hydrogen 3.066 N/A LEU 167.A N ASP 163.A O no hydrogen 2.888 N/A PHE 168.A N GLU 164.A O no hydrogen 2.949 N/A TRP 169.A N GLU 165.A O no hydrogen 2.944 N/A ILE 170.A N LEU 166.A O no hydrogen 2.898 N/A ILE 171.A N LEU 167.A O no hydrogen 2.981 N/A GLY 172.A N PHE 168.A O no hydrogen 2.910 N/A GLN 173.A N TRP 169.A O no hydrogen 3.018 N/A LEU 174.A N ILE 170.A O no hydrogen 3.248 N/A LEU 174.A N ILE 171.A O no hydrogen 2.983 N/A SER 177.A N LEU 174.A O no hydrogen 3.090 N/A GLU 179.A N SER 177.A OG no hydrogen 3.098 N/A PHE 181.A N GLU 179.A OE1 no hydrogen 3.035 N/A ILE 182.A N GLU 179.A O no hydrogen 3.046 N/A GLN 183.A N GLU 179.A O no hydrogen 2.960 N/A GLN 183.A NE2 SER 177.A O no hydrogen 2.903 N/A LYS 184.A N PHE 180.A O no hydrogen 2.824 N/A ALA 185.A N PHE 181.A O no hydrogen 3.388 N/A ILE 186.A N ILE 182.A O no hydrogen 3.020 N/A GLY 187.A N GLN 183.A O no hydrogen 3.103 N/A TRP 188.A N LYS 184.A O no hydrogen 2.837 N/A VAL 189.A N ALA 185.A O no hydrogen 2.928 N/A LEU 190.A N ILE 186.A O no hydrogen 3.138 N/A ARG 191.A N GLY 187.A O no hydrogen 2.898 N/A ARG 191.A NE GLU 217.A O no hydrogen 2.973 N/A ARG 191.A NH2 GLU 217.A OE1 no hydrogen 2.791 N/A GLU 192.A N TRP 188.A O no hydrogen 2.868 N/A TYR 193.A N VAL 189.A O no hydrogen 2.906 N/A TYR 193.A OH GLU 164.A OE2 no hydrogen 2.475 N/A ALA 194.A N LEU 190.A O no hydrogen 2.877 N/A LYS 195.A N GLU 192.A O no hydrogen 3.006 N/A LYS 195.A NZ GLU 192.A OE1 no hydrogen 3.004 N/A THR 196.A N TYR 193.A O no hydrogen 2.816 N/A ASN 197.A N TYR 193.A O no hydrogen 2.953 N/A VAL 201.A N ASN 197.A O no hydrogen 3.403 N/A TRP 202.A N PRO 198.A O no hydrogen 2.856 N/A GLU 203.A N ASP 199.A O no hydrogen 2.975 N/A TYR 204.A N VAL 200.A O no hydrogen 3.040 N/A VAL 205.A N VAL 201.A O no hydrogen 2.976 N/A GLN 206.A N TRP 202.A O no hydrogen 3.073 N/A ASN 207.A N TYR 204.A O no hydrogen 3.160 N/A ASN 208.A ND2 TYR 204.A O no hydrogen 2.914 N/A SER 214.A OG GLN 183.A O no hydrogen 2.684 N/A LYS 215.A N ALA 211.A O no hydrogen 3.058 N/A LYS 215.A NZ GLN 206.A OE1 no hydrogen 3.012 N/A ARG 216.A N PRO 212.A O no hydrogen 3.031 N/A GLU 217.A N LEU 213.A O no hydrogen 3.015 N/A ALA 218.A N SER 214.A O no hydrogen 2.968 N/A ILE 219.A N LYS 215.A O no hydrogen 3.188 N/A LYS 220.A N GLU 217.A O no hydrogen 3.493 N/A LYS 223.A N ILE 219.A O no hydrogen 2.959 N/A GLN 224.A N HIS 221.A O no hydrogen 3.077 N/A ASN 225.A N ILE 222.A O no hydrogen 2.891 N/A TYR 226.A N ILE 222.A O no hydrogen 3.314 N/A TYR 226.A OH ASP 199.A OD1 no hydrogen 2.552 N/A GLY 227.A N LYS 223.A O no hydrogen 2.889 N/A