Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 1j31_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): VAL 1.A N GLU 228.A OE1 no hydrogen 3.548 N/A VAL 1.A N ILE 229.A O no hydrogen 3.131 N/A LYS 2.A NZ GLU 228.A OE2 no hydrogen 2.575 N/A VAL 3.A N VAL 227.A O no hydrogen 2.978 N/A GLY 4.A N LEU 35.A O no hydrogen 2.933 N/A TYR 5.A N GLY 225.A O no hydrogen 2.982 N/A TYR 5.A OH SER 215.A OG no hydrogen 2.789 N/A ILE 6.A N VAL 37.A O no hydrogen 2.855 N/A GLN 7.A N GLU 223.A O no hydrogen 2.847 N/A GLN 7.A NE2 SER 218.A O no hydrogen 2.890 N/A GLN 7.A NE2 GLU 221.A O no hydrogen 2.881 N/A LYS 10.A N ASN 17.A OD1 no hydrogen 2.814 N/A LYS 10.A NZ GLU 8.A OE2 no hydrogen 3.489 N/A LEU 12.A N THR 44.A O no hydrogen 2.816 N/A GLU 13.A N LYS 10.A O no hydrogen 3.103 N/A LYS 16.A NZ GLU 13.A OE1 no hydrogen 2.695 N/A ASN 17.A N GLU 13.A O no hydrogen 3.029 N/A ASN 17.A ND2 LYS 10.A O no hydrogen 2.933 N/A ASN 17.A ND2 ASP 43.A O no hydrogen 2.772 N/A TYR 18.A N LEU 14.A O no hydrogen 2.878 N/A TYR 18.A OH THR 66.A OG1 no hydrogen 2.764 N/A SER 19.A N ASP 15.A O no hydrogen 2.967 N/A SER 19.A OG ASP 15.A O no hydrogen 3.167 N/A LYS 20.A N LYS 16.A O no hydrogen 3.010 N/A LYS 20.A NZ GLU 222.A OE1 no hydrogen 2.867 N/A LYS 20.A NZ GLU 222.A OE2 no hydrogen 3.402 N/A ALA 21.A N ASN 17.A O no hydrogen 2.951 N/A GLU 22.A N TYR 18.A O no hydrogen 2.865 N/A LYS 23.A N SER 19.A O no hydrogen 3.017 N/A LEU 24.A N LYS 20.A O no hydrogen 3.098 N/A ILE 25.A N ALA 21.A O no hydrogen 2.753 N/A LYS 26.A N GLU 22.A O no hydrogen 2.894 N/A LYS 26.A NZ GLU 22.A OE2 no hydrogen 3.320 N/A GLU 27.A N LYS 23.A O no hydrogen 3.132 N/A ALA 28.A N LEU 24.A O no hydrogen 2.935 N/A SER 29.A N ILE 25.A O no hydrogen 2.849 N/A LYS 30.A N LYS 26.A O no hydrogen 3.029 N/A GLU 31.A N GLU 27.A O no hydrogen 3.195 N/A GLY 32.A N SER 29.A O no hydrogen 2.828 N/A ALA 33.A N ALA 28.A O no hydrogen 3.032 N/A LYS 34.A N LYS 2.A O no hydrogen 2.785 N/A VAL 36.A N TYR 79.A O no hydrogen 2.953 N/A VAL 37.A N GLY 4.A O no hydrogen 3.005 N/A LEU 38.A N VAL 81.A O no hydrogen 2.847 N/A GLU 40.A N ALA 166.A O no hydrogen 3.369 N/A PHE 42.A N GLY 83.A O no hydrogen 2.972 N/A THR 44.A OG1 GLY 45.A O no hydrogen 2.843 N/A GLY 45.A N LEU 41.A O no hydrogen 3.015 N/A TYR 46.A N GLU 195.A OE2 no hydrogen 2.803 N/A TYR 46.A OH GLU 117.A OE2 no hydrogen 2.548 N/A ASN 47.A N GLU 195.A OE2 no hydrogen 2.793 N/A ASN 47.A ND2 GLU 195.A O no hydrogen 3.011 N/A PHE 48.A N TYR 46.A O no hydrogen 2.935 N/A GLU 49.A N GLU 53.A OE1 no hydrogen 2.512 N/A GLU 53.A N SER 50.A O no hydrogen 3.326 N/A GLU 53.A N SER 50.A OG no hydrogen 3.212 N/A PHE 55.A N ARG 51.A O no hydrogen 2.900 N/A ASP 56.A N GLU 52.A O no hydrogen 3.038 N/A VAL 57.A N VAL 54.A O no hydrogen 3.103 N/A ALA 58.A N VAL 54.A O no hydrogen 2.902 N/A GLN 59.A NE2 VAL 57.A O no hydrogen 2.950 N/A GLN 60.A NE2 GLU 63.A OE1 no hydrogen 2.913 N/A GLU 63.A N GLN 60.A OE1 no hydrogen 2.600 N/A GLY 64.A N GLN 60.A O no hydrogen 2.755 N/A GLU 65.A N GLN 59.A OE1 no hydrogen 2.963 N/A THR 66.A OG1 TYR 18.A OH no hydrogen 2.764 N/A THR 66.A OG1 ASP 43.A OD2 no hydrogen 2.602 N/A THR 68.A N GLY 64.A O no hydrogen 3.054 N/A THR 68.A OG1 GLU 63.A O no hydrogen 3.488 N/A THR 68.A OG1 GLY 64.A O no hydrogen 3.003 N/A PHE 69.A N GLU 65.A O no hydrogen 2.837 N/A LEU 70.A N THR 66.A O no hydrogen 2.958 N/A LEU 72.A N PHE 69.A O no hydrogen 3.178 N/A ALA 73.A N LEU 70.A O no hydrogen 2.988 N/A GLU 75.A N GLU 71.A O no hydrogen 2.874 N/A LEU 76.A N LEU 72.A O no hydrogen 2.765 N/A GLY 77.A N ALA 73.A O no hydrogen 2.840 N/A LEU 78.A N ALA 73.A O no hydrogen 3.211 N/A TYR 79.A N LYS 34.A O no hydrogen 2.842 N/A ILE 80.A N VAL 99.A O no hydrogen 2.944 N/A VAL 81.A N VAL 36.A O no hydrogen 2.988 N/A ALA 82.A N VAL 97.A O no hydrogen 3.007 N/A GLY 83.A N PRO 39.A O no hydrogen 3.065 N/A THR 84.A N SER 95.A O no hydrogen 2.769 N/A THR 84.A OG1 ASP 43.A OD1 no hydrogen 3.528 N/A THR 84.A OG1 ASP 43.A OD2 no hydrogen 2.666 N/A THR 84.A OG1 ALA 85.A O no hydrogen 3.433 N/A ALA 85.A N ASP 43.A OD1 no hydrogen 3.380 N/A GLU 86.A N TYR 93.A O no hydrogen 2.889 N/A LYS 87.A N GLN 59.A O no hydrogen 2.963 N/A LYS 87.A NZ PHE 55.A O no hydrogen 2.823 N/A SER 88.A N TYR 91.A O no hydrogen 2.826 N/A TYR 91.A N SER 88.A O no hydrogen 2.941 N/A TYR 93.A N GLU 86.A O no hydrogen 2.895 N/A ASN 94.A ND2 GLU 40.A OE2 no hydrogen 2.899 N/A ASN 94.A ND2 GLU 117.A OE1 no hydrogen 3.437 N/A SER 95.A N THR 84.A O no hydrogen 2.960 N/A SER 95.A OG GLU 86.A OE1 no hydrogen 2.842 N/A ALA 96.A N TYR 108.A O no hydrogen 2.765 N/A VAL 97.A N ALA 82.A O no hydrogen 2.873 N/A VAL 98.A N GLY 106.A O no hydrogen 2.837 N/A VAL 99.A N ILE 80.A O no hydrogen 2.995 N/A GLY 100.A N GLY 103.A O no hydrogen 2.931 N/A GLY 103.A N GLY 100.A O no hydrogen 3.017 N/A ILE 105.A N VAL 98.A O no hydrogen 2.882 N/A GLY 106.A N VAL 98.A O no hydrogen 3.213 N/A LYS 107.A NZ GLU 86.A OE2 no hydrogen 2.784 N/A TYR 108.A N ALA 96.A O no hydrogen 2.901 N/A TYR 108.A OH ASP 144.A OD2 no hydrogen 2.573 N/A ARG 109.A NE GLU 86.A OE1 no hydrogen 2.929 N/A ARG 109.A NH1 ASP 125.A OD1 no hydrogen 2.924 N/A ARG 109.A NH2 GLU 86.A OE2 no hydrogen 2.890 N/A LYS 110.A N ASN 94.A O no hydrogen 2.842 N/A LYS 110.A NZ GLU 40.A OE2 no hydrogen 2.916 N/A LYS 110.A NZ GLU 117.A OE1 no hydrogen 2.695 N/A LYS 110.A NZ GLU 117.A OE2 no hydrogen 2.996 N/A ILE 111.A N TYR 108.A OH no hydrogen 2.876 N/A HIS 112.A N ASP 144.A OD1 no hydrogen 3.117 N/A HIS 112.A ND1 ASP 144.A OD1 no hydrogen 2.785 N/A PHE 114.A N GLU 117.A OE1 no hydrogen 3.030 N/A ARG 116.A NH2 PHE 48.A O no hydrogen 2.999 N/A GLU 117.A N PHE 114.A O no hydrogen 3.021 N/A LYS 118.A N TYR 115.A O no hydrogen 3.145 N/A VAL 119.A N ARG 116.A O no hydrogen 2.951 N/A PHE 120.A N GLU 117.A O no hydrogen 3.096 N/A PHE 121.A N GLU 117.A O no hydrogen 2.853 N/A GLU 122.A N LEU 92.A O no hydrogen 2.838 N/A GLY 124.A N LYS 110.A O no hydrogen 2.777 N/A LYS 129.A NZ LYS 107.A O no hydrogen 2.963 N/A PHE 131.A N VAL 138.A O no hydrogen 2.716 N/A ILE 133.A N ALA 136.A O no hydrogen 2.954 N/A GLY 134.A N ASP 132.A OD1 no hydrogen 2.951 N/A PHE 135.A N ILE 133.A O no hydrogen 2.947 N/A LYS 137.A N GLU 160.A OE1 no hydrogen 3.071 N/A LYS 137.A NZ LYS 157.A O no hydrogen 3.472 N/A VAL 138.A N PHE 131.A O no hydrogen 2.791 N/A GLY 139.A N ILE 161.A O no hydrogen 2.862 N/A ILE 141.A N ASP 144.A OD2 no hydrogen 2.836 N/A CYS 142.A N PRO 165.A O no hydrogen 2.782 N/A CYS 142.A SG GLU 40.A OE1 no hydrogen 3.259 N/A ASP 144.A N ILE 141.A O no hydrogen 2.942 N/A TRP 145.A N CYS 142.A O no hydrogen 2.880 N/A PHE 146.A N PHE 143.A O no hydrogen 2.833 N/A PHE 147.A N ASP 144.A O no hydrogen 3.344 N/A GLU 149.A N GLU 149.A OE1 no hydrogen 2.779 N/A SER 150.A N PHE 147.A O no hydrogen 3.032 N/A SER 150.A OG ASP 144.A O no hydrogen 2.830 N/A SER 150.A OG PHE 147.A O no hydrogen 3.432 N/A ARG 152.A N PRO 148.A O no hydrogen 3.057 N/A ARG 152.A NH1 GLU 181.A O no hydrogen 2.988 N/A ARG 152.A NH1 ASN 182.A OD1 no hydrogen 2.883 N/A THR 153.A N GLU 149.A O no hydrogen 2.893 N/A THR 153.A OG1 GLU 149.A O no hydrogen 2.720 N/A LEU 154.A N SER 150.A O no hydrogen 3.178 N/A ALA 155.A N ALA 151.A O no hydrogen 2.863 N/A LEU 156.A N ARG 152.A O no hydrogen 2.875 N/A LYS 157.A N THR 153.A O no hydrogen 3.093 N/A LYS 157.A N LEU 154.A O no hydrogen 3.145 N/A LYS 157.A NZ PHE 128.A O no hydrogen 2.797 N/A GLY 158.A N ALA 155.A O no hydrogen 2.950 N/A ALA 159.A N LEU 154.A O no hydrogen 2.984 N/A GLU 160.A N LYS 137.A O no hydrogen 2.841 N/A ILE 161.A N LYS 137.A O no hydrogen 3.389 N/A ILE 162.A N TYR 185.A O no hydrogen 2.727 N/A ALA 163.A N GLY 139.A O no hydrogen 2.764 N/A HIS 164.A N ILE 187.A O no hydrogen 2.774 N/A HIS 164.A ND1 THR 188.A OG1 no hydrogen 2.821 N/A HIS 164.A NE2 CYS 142.A O no hydrogen 2.917 N/A ALA 166.A N ALA 189.A O no hydrogen 2.877 N/A ASN 167.A ND2 GLU 40.A O no hydrogen 2.929 N/A ASN 167.A ND2 ALA 166.A O no hydrogen 2.772 N/A LEU 168.A N ASP 190.A OD1 no hydrogen 2.759 N/A ARG 174.A N TYR 171.A O no hydrogen 2.931 N/A ALA 175.A N TYR 171.A O no hydrogen 3.144 N/A ALA 175.A N ALA 172.A O no hydrogen 2.899 N/A ILE 177.A N ALA 175.A O no hydrogen 2.961 N/A ARG 178.A N ALA 175.A O no hydrogen 3.027 N/A ARG 178.A NE TRP 145.A O no hydrogen 2.855 N/A ARG 178.A NH1 GLU 181.A OE2 no hydrogen 2.860 N/A ARG 178.A NH2 TRP 145.A O no hydrogen 2.933 N/A LEU 180.A N PRO 176.A O no hydrogen 2.965 N/A GLU 181.A N ILE 177.A O no hydrogen 2.860 N/A ASN 182.A N ARG 178.A O no hydrogen 3.413 N/A ASN 182.A ND2 ARG 178.A O no hydrogen 3.074 N/A ARG 183.A N LEU 180.A O no hydrogen 3.025 N/A VAL 184.A N ALA 179.A O no hydrogen 2.870 N/A TYR 185.A N GLU 160.A O no hydrogen 3.069 N/A THR 186.A N ALA 207.A O no hydrogen 3.021 N/A ILE 187.A N ILE 162.A O no hydrogen 2.900 N/A THR 188.A N LEU 205.A O no hydrogen 2.908 N/A THR 188.A OG1 HIS 164.A ND1 no hydrogen 2.821 N/A ALA 189.A N HIS 164.A O no hydrogen 3.073 N/A ASP 190.A N SER 204.A OG no hydrogen 2.777 N/A ARG 191.A NE VAL 192.A O no hydrogen 2.994 N/A ARG 191.A NH1 GLU 195.A OE1 no hydrogen 2.770 N/A ARG 191.A NH2 VAL 192.A O no hydrogen 3.358 N/A ARG 191.A NH2 GLU 195.A OE1 no hydrogen 3.221 N/A GLU 195.A N LEU 198.A O no hydrogen 2.865 N/A ARG 196.A NH1 ASN 47.A O no hydrogen 3.054 N/A ARG 196.A NH1 GLU 53.A OE1 no hydrogen 2.579 N/A ARG 196.A NH1 GLU 53.A OE2 no hydrogen 3.499 N/A ARG 196.A NH2 GLU 53.A OE2 no hydrogen 3.144 N/A GLY 197.A N GLU 194.A OE2 no hydrogen 2.771 N/A LEU 198.A N GLU 195.A O no hydrogen 3.094 N/A PHE 200.A N GLY 193.A O no hydrogen 2.970 N/A ILE 201.A N LEU 168.A O no hydrogen 2.942 N/A GLY 202.A N ARG 191.A O no hydrogen 3.258 N/A LYS 203.A N SER 218.A O no hydrogen 2.929 N/A SER 204.A N GLN 7.A OE1 no hydrogen 3.023 N/A SER 204.A OG GLN 7.A OE1 no hydrogen 2.658 N/A LEU 205.A N THR 188.A O no hydrogen 3.028 N/A ILE 206.A N SER 215.A O no hydrogen 2.999 N/A ALA 207.A N THR 186.A O no hydrogen 3.015 N/A SER 208.A N GLU 212.A O no hydrogen 2.878 N/A SER 208.A OG GLU 212.A OE1 no hydrogen 2.582 N/A LYS 210.A N SER 208.A OG no hydrogen 3.042 N/A ALA 211.A N SER 208.A O no hydrogen 2.907 N/A GLU 212.A N SER 208.A OG no hydrogen 3.185 N/A LEU 214.A N ILE 206.A O no hydrogen 2.791 N/A SER 215.A OG TYR 5.A OH no hydrogen 2.789 N/A ALA 217.A N SER 204.A O no hydrogen 2.856 N/A SER 218.A N GLU 223.A OE2 no hydrogen 3.045 N/A SER 218.A OG GLU 223.A OE2 no hydrogen 2.675 N/A THR 220.A OG1 GLU 221.A OE1 no hydrogen 2.714 N/A GLU 221.A N SER 218.A OG no hydrogen 2.904 N/A GLU 223.A N GLN 7.A O no hydrogen 2.923 N/A GLY 225.A N TYR 5.A O no hydrogen 3.204 N/A VAL 227.A N VAL 3.A O no hydrogen 2.922 N/A ILE 229.A N VAL 1.A O no hydrogen 2.811 N/A ASP 230.A N TYR 185.A OH no hydrogen 2.987 N/A ASN 232.A N ASP 230.A OD1 no hydrogen 3.003 N/A LEU 233.A N ASP 230.A O no hydrogen 2.924 N/A ALA 234.A N LEU 231.A O no hydrogen 3.114 N/A ARG 235.A N LEU 231.A O no hydrogen 2.894 N/A ARG 235.A NE GLU 160.A OE2 no hydrogen 2.820 N/A ARG 235.A NH2 PHE 135.A O no hydrogen 3.110 N/A ARG 235.A NH2 GLU 160.A OE1 no hydrogen 2.938 N/A ARG 235.A NH2 GLU 160.A OE2 no hydrogen 3.566 N/A ASN 236.A N ASN 232.A O no hydrogen 3.178 N/A LYS 237.A NZ ASN 182.A O no hydrogen 2.865 N/A LYS 237.A NZ ARG 183.A O no hydrogen 2.804 N/A LYS 237.A NZ ALA 234.A O no hydrogen 2.709 N/A ARG 238.A N ASN 236.A OD1 no hydrogen 3.183 N/A LEU 239.A N ASN 242.A O no hydrogen 2.824 N/A ASN 240.A ND2 ASN 242.A OD1 no hydrogen 3.028 N/A ASN 242.A ND2 ASP 247.A OD2 no hydrogen 2.675 N/A ILE 244.A N LYS 237.A O no hydrogen 2.816 N/A LYS 246.A N ASP 243.A OD1 no hydrogen 2.972 N/A ASP 247.A N ASP 243.A O no hydrogen 2.877 N/A ARG 248.A N PHE 245.A O no hydrogen 3.317 N/A ARG 248.A NH1 GLU 250.A OE2 no hydrogen 2.875 N/A ARG 248.A NH2 GLU 250.A OE2 no hydrogen 3.544 N/A ARG 249.A N TYR 253.A OH no hydrogen 2.998 N/A GLU 251.A N GLU 251.A OE1 no hydrogen 2.686 N/A TYR 252.A N ARG 249.A O no hydrogen 2.959 N/A TYR 253.A N GLU 250.A O no hydrogen 3.009 N/A