Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4j8g_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): MET 1.A N GLN 263.A OE1 no hydrogen 3.008 N/A ALA 2.A N GLU 298.A OE2 no hydrogen 2.462 N/A LEU 4.A N LYS 296.A O no hydrogen 2.911 N/A LYS 6.A N VAL 294.A O no hydrogen 2.776 N/A PHE 7.A N VAL 294.A O no hydrogen 3.417 N/A SER 9.A N VAL 292.A O no hydrogen 2.993 N/A SER 11.A N SER 290.A O no hydrogen 3.010 N/A SER 11.A OG SER 12.A O no hydrogen 2.829 N/A ARG 13.A NE ASP 289.A OD1 no hydrogen 2.976 N/A ALA 14.A N HIS 288.A O no hydrogen 3.013 N/A LYS 15.A N SER 29.A O no hydrogen 2.856 N/A GLY 16.A N SER 29.A O no hydrogen 3.339 N/A ALA 18.A N LEU 27.A O no hydrogen 2.981 N/A HIS 20.A N TRP 25.A O no hydrogen 2.972 N/A HIS 20.A NE2 TYR 82.A OH no hydrogen 2.682 N/A THR 22.A N HIS 20.A ND1 no hydrogen 2.999 N/A GLN 23.A N HIS 20.A ND1 no hydrogen 2.855 N/A TRP 25.A N GLN 23.A O no hydrogen 2.816 N/A ILE 26.A N TRP 38.A O no hydrogen 2.950 N/A LEU 27.A N ALA 18.A O no hydrogen 2.818 N/A THR 28.A N GLN 36.A O no hydrogen 2.777 N/A THR 28.A OG1 GLN 36.A OE1 no hydrogen 3.203 N/A SER 29.A N GLY 16.A O no hydrogen 3.015 N/A SER 29.A OG VAL 56.A O no hydrogen 2.808 N/A LEU 30.A N ARG 34.A O no hydrogen 2.963 N/A HIS 31.A N ARG 13.A O no hydrogen 3.019 N/A GLY 33.A N LEU 30.A O no hydrogen 3.111 N/A ARG 34.A N ASN 32.A OD1 no hydrogen 2.974 N/A ILE 35.A N PHE 49.A O no hydrogen 3.054 N/A GLN 36.A N THR 28.A O no hydrogen 2.764 N/A LEU 37.A N ASP 47.A O no hydrogen 2.942 N/A TRP 38.A N ILE 26.A O no hydrogen 2.955 N/A TRP 38.A NE1 GLN 36.A OE1 no hydrogen 2.823 N/A ASP 39.A N THR 44.A O no hydrogen 2.867 N/A TYR 40.A N PRO 24.A O no hydrogen 3.039 N/A ARG 41.A N ASP 39.A OD1 no hydrogen 2.769 N/A MET 42.A N ASP 39.A OD1 no hydrogen 2.897 N/A GLY 43.A N ASP 39.A O no hydrogen 2.756 N/A THR 44.A N ASP 39.A O no hydrogen 3.220 N/A LEU 46.A N LEU 37.A O no hydrogen 2.711 N/A ASP 47.A N LEU 37.A O no hydrogen 3.305 N/A PHE 49.A N ILE 35.A O no hydrogen 2.855 N/A HIS 52.A ND1 ASP 74.A OD1 no hydrogen 3.016 N/A HIS 52.A NE2 SER 70.A OG no hydrogen 2.692 N/A ASP 53.A N ASP 74.A OD2 no hydrogen 3.113 N/A VAL 56.A N LEU 30.A O no hydrogen 3.149 N/A ARG 57.A N GLY 71.A O no hydrogen 3.008 N/A ARG 57.A NE ASP 73.A OD1 no hydrogen 2.729 N/A ARG 57.A NE ASP 73.A OD2 no hydrogen 3.345 N/A ARG 57.A NH2 ASP 73.A OD2 no hydrogen 3.004 N/A GLY 58.A N GLY 71.A O no hydrogen 3.149 N/A ALA 60.A N VAL 69.A O no hydrogen 2.997 N/A HIS 62.A N ILE 67.A O no hydrogen 2.867 N/A THR 64.A N HIS 62.A ND1 no hydrogen 2.975 N/A THR 64.A OG1 GLN 65.A OE1 no hydrogen 3.178 N/A GLN 65.A N HIS 62.A ND1 no hydrogen 2.941 N/A PHE 68.A N TRP 80.A O no hydrogen 3.068 N/A VAL 69.A N ALA 60.A O no hydrogen 2.798 N/A SER 70.A N ASN 78.A O no hydrogen 2.864 N/A SER 70.A OG HIS 52.A NE2 no hydrogen 2.692 N/A GLY 71.A N GLY 58.A O no hydrogen 2.994 N/A GLY 72.A N LYS 76.A O no hydrogen 3.084 N/A ASP 73.A N PRO 55.A O no hydrogen 2.870 N/A TYR 75.A N GLY 72.A O no hydrogen 2.909 N/A LYS 76.A N ASP 74.A OD1 no hydrogen 3.171 N/A LYS 76.A NZ ASP 74.A O no hydrogen 2.876 N/A VAL 77.A N LEU 91.A O no hydrogen 3.414 N/A ASN 78.A N SER 70.A O no hydrogen 2.794 N/A ASN 78.A ND2 GLY 51.A O no hydrogen 3.142 N/A VAL 79.A N PHE 89.A O no hydrogen 2.972 N/A TRP 80.A N PHE 68.A O no hydrogen 2.885 N/A TRP 80.A NE1 SER 70.A OG no hydrogen 2.957 N/A ASN 81.A N LYS 86.A O no hydrogen 2.955 N/A TYR 82.A N PRO 66.A O no hydrogen 3.055 N/A LYS 83.A N ASN 81.A OD1 no hydrogen 2.710 N/A SER 84.A N ASN 81.A OD1 no hydrogen 3.031 N/A ARG 85.A NE ASP 47.A OD2 no hydrogen 2.597 N/A ARG 85.A NH1 LYS 83.A O no hydrogen 2.701 N/A LYS 86.A N SER 84.A OG no hydrogen 3.342 N/A LEU 88.A N VAL 79.A O no hydrogen 2.694 N/A PHE 89.A N VAL 79.A O no hydrogen 3.314 N/A SER 90.A OG ASN 78.A OD1 no hydrogen 2.584 N/A LEU 91.A N VAL 77.A O no hydrogen 2.747 N/A HIS 94.A ND1 ASP 116.A OD2 no hydrogen 2.969 N/A HIS 94.A NE2 SER 112.A OG no hydrogen 2.675 N/A MET 95.A N ASP 116.A OD2 no hydrogen 2.930 N/A TYR 97.A N ASP 96.A OD1 no hydrogen 2.704 N/A VAL 98.A N GLY 72.A O no hydrogen 3.045 N/A ARG 99.A N CYS 113.A O no hydrogen 2.847 N/A ARG 99.A NE ASP 115.A OD1 no hydrogen 2.843 N/A ARG 99.A NH2 ASP 115.A OD2 no hydrogen 2.998 N/A THR 102.A N LEU 111.A O no hydrogen 2.970 N/A HIS 104.A N TRP 109.A O no hydrogen 2.957 N/A GLU 106.A N HIS 104.A ND1 no hydrogen 2.903 N/A TYR 107.A N HIS 104.A ND1 no hydrogen 2.935 N/A TYR 107.A OH ASP 150.A OD1 no hydrogen 2.888 N/A TRP 109.A N TYR 107.A O no hydrogen 2.751 N/A ILE 110.A N TRP 122.A O no hydrogen 2.844 N/A LEU 111.A N THR 102.A O no hydrogen 2.841 N/A SER 112.A N ARG 120.A O no hydrogen 2.931 N/A SER 112.A OG HIS 94.A NE2 no hydrogen 2.675 N/A CYS 113.A N VAL 100.A O no hydrogen 3.233 N/A CYS 113.A SG VAL 140.A O no hydrogen 3.385 N/A SER 114.A OG ASP 96.A O no hydrogen 3.224 N/A SER 114.A OG TYR 97.A O no hydrogen 3.028 N/A ASP 115.A N TYR 97.A O no hydrogen 2.934 N/A ASP 116.A N SER 114.A OG no hydrogen 2.843 N/A GLN 117.A N SER 114.A O no hydrogen 3.109 N/A GLN 117.A NE2 ASP 115.A O no hydrogen 3.021 N/A THR 118.A N ASP 116.A OD1 no hydrogen 2.942 N/A THR 118.A OG1 ASP 116.A OD1 no hydrogen 2.720 N/A ILE 119.A N LEU 133.A O no hydrogen 3.172 N/A ARG 120.A N SER 112.A O no hydrogen 2.791 N/A ILE 121.A N ALA 131.A O no hydrogen 2.963 N/A TRP 122.A N ILE 110.A O no hydrogen 2.829 N/A TRP 122.A NE1 SER 112.A OG no hydrogen 2.833 N/A ASN 123.A N ASN 128.A O no hydrogen 2.913 N/A TRP 124.A N PRO 108.A O no hydrogen 2.925 N/A GLN 125.A N ASN 123.A OD1 no hydrogen 2.826 N/A SER 126.A N ASN 123.A OD1 no hydrogen 3.074 N/A ARG 127.A N ASN 123.A O no hydrogen 2.816 N/A ASN 128.A N ASN 123.A O no hydrogen 3.350 N/A CYS 129.A SG ILE 121.A O no hydrogen 3.653 N/A CYS 129.A SG ALA 131.A O no hydrogen 3.457 N/A ILE 130.A N ILE 121.A O no hydrogen 2.799 N/A ALA 131.A N ILE 121.A O no hydrogen 3.384 N/A LEU 133.A N ILE 119.A O no hydrogen 2.764 N/A HIS 136.A ND1 ASP 158.A OD2 no hydrogen 2.989 N/A HIS 136.A NE2 SER 154.A OG no hydrogen 2.674 N/A SER 137.A N ASP 158.A OD2 no hydrogen 2.926 N/A TYR 139.A N HIS 138.A ND1 no hydrogen 2.777 N/A VAL 140.A N SER 114.A O no hydrogen 3.051 N/A MET 141.A N ALA 155.A O no hydrogen 2.773 N/A CYS 142.A SG CYS 189.A O no hydrogen 3.502 N/A ALA 144.A N VAL 153.A O no hydrogen 2.897 N/A HIS 146.A N LEU 151.A O no hydrogen 2.996 N/A SER 148.A N HIS 146.A ND1 no hydrogen 3.078 N/A GLU 149.A N HIS 146.A ND1 no hydrogen 2.987 N/A LEU 151.A N GLU 149.A O no hydrogen 2.819 N/A ILE 152.A N TRP 164.A O no hydrogen 3.006 N/A VAL 153.A N ALA 144.A O no hydrogen 2.976 N/A SER 154.A N ARG 162.A O no hydrogen 2.875 N/A SER 154.A OG HIS 136.A NE2 no hydrogen 2.674 N/A ALA 155.A N CYS 142.A O no hydrogen 3.000 N/A SER 156.A N THR 160.A O no hydrogen 3.164 N/A SER 156.A OG HIS 138.A O no hydrogen 3.316 N/A SER 156.A OG TYR 139.A O no hydrogen 2.693 N/A LEU 157.A N TYR 139.A O no hydrogen 3.145 N/A ASP 158.A N SER 156.A OG no hydrogen 3.028 N/A GLN 159.A N SER 156.A O no hydrogen 3.056 N/A THR 160.A N ASP 158.A OD1 no hydrogen 2.917 N/A THR 160.A OG1 ASP 158.A OD1 no hydrogen 2.636 N/A THR 160.A OG1 ASP 158.A OD2 no hydrogen 3.413 N/A VAL 161.A N LEU 179.A O no hydrogen 3.126 N/A ARG 162.A N SER 154.A O no hydrogen 2.987 N/A ARG 162.A NH1 THR 160.A OG1 no hydrogen 3.039 N/A VAL 163.A N PHE 177.A O no hydrogen 2.958 N/A TRP 164.A N ILE 152.A O no hydrogen 2.739 N/A TRP 164.A NE1 SER 154.A OG no hydrogen 2.801 N/A ASP 165.A N ILE 174.A O no hydrogen 2.739 N/A ILE 166.A N ASP 150.A O no hydrogen 2.948 N/A SER 167.A N ASP 165.A OD1 no hydrogen 2.967 N/A SER 167.A OG ASP 165.A OD1 no hydrogen 2.867 N/A SER 167.A OG ASP 165.A OD2 no hydrogen 3.418 N/A LEU 169.A N ASP 172.A O no hydrogen 3.011 N/A ARG 170.A N ILE 166.A O no hydrogen 3.143 N/A ILE 174.A N ASP 165.A O no hydrogen 3.200 N/A LYS 176.A N VAL 163.A O no hydrogen 2.682 N/A PHE 177.A N VAL 163.A O no hydrogen 3.126 N/A LEU 179.A N VAL 161.A O no hydrogen 2.625 N/A HIS 182.A ND1 ASP 204.A OD2 no hydrogen 2.868 N/A HIS 182.A NE2 SER 200.A OG no hydrogen 2.566 N/A VAL 186.A N SER 156.A O no hydrogen 2.899 N/A ASN 187.A N ALA 201.A O no hydrogen 2.674 N/A ASN 187.A ND2 ASP 203.A OD1 no hydrogen 2.813 N/A ASN 187.A ND2 VAL 230.A O no hydrogen 2.835 N/A TRP 188.A N ALA 201.A O no hydrogen 3.212 N/A CYS 189.A SG VAL 153.A O no hydrogen 3.539 N/A ALA 190.A N LEU 199.A O no hydrogen 2.804 N/A HIS 192.A N LEU 197.A O no hydrogen 3.098 N/A THR 194.A N HIS 192.A ND1 no hydrogen 2.925 N/A LEU 195.A N HIS 192.A ND1 no hydrogen 2.944 N/A LEU 197.A N LEU 195.A O no hydrogen 2.741 N/A ILE 198.A N TRP 210.A O no hydrogen 2.828 N/A LEU 199.A N ALA 190.A O no hydrogen 2.874 N/A SER 200.A N LYS 208.A O no hydrogen 3.013 N/A SER 200.A OG HIS 182.A NE2 no hydrogen 2.566 N/A ALA 201.A N TRP 188.A O no hydrogen 2.951 N/A GLY 202.A N LEU 206.A O no hydrogen 3.253 N/A ASP 203.A N GLY 185.A O no hydrogen 2.862 N/A ARG 205.A N GLY 202.A O no hydrogen 3.167 N/A LEU 206.A N ASP 204.A OD1 no hydrogen 3.013 N/A VAL 207.A N CYS 223.A O no hydrogen 3.295 N/A LYS 208.A N SER 200.A O no hydrogen 2.932 N/A LYS 208.A NZ GLU 219.A OE2 no hydrogen 2.973 N/A LYS 208.A NZ THR 222.A OG1 no hydrogen 3.023 N/A LEU 209.A N ASP 221.A O no hydrogen 2.862 N/A TRP 210.A N ILE 198.A O no hydrogen 2.777 N/A TRP 210.A NE1 SER 200.A OG no hydrogen 2.888 N/A ARG 211.A N TRP 218.A O no hydrogen 2.950 N/A MET 212.A N PRO 196.A O no hydrogen 3.043 N/A THR 213.A N LYS 216.A O no hydrogen 2.648 N/A THR 213.A OG1 LYS 216.A O no hydrogen 3.132 N/A SER 215.A N THR 213.A OG1 no hydrogen 3.415 N/A LYS 216.A N THR 213.A OG1 no hydrogen 3.148 N/A TRP 218.A N ARG 211.A O no hydrogen 2.907 N/A VAL 220.A N LEU 209.A O no hydrogen 2.690 N/A ASP 221.A N LEU 209.A O no hydrogen 3.411 N/A CYS 223.A N VAL 207.A O no hydrogen 2.640 N/A HIS 226.A ND1 ASP 248.A OD2 no hydrogen 2.918 N/A HIS 226.A NE2 SER 244.A OG no hydrogen 2.670 N/A PHE 227.A N ASP 248.A OD2 no hydrogen 3.028 N/A ASN 229.A N ASN 228.A OD1 no hydrogen 2.555 N/A ASN 229.A ND2 GLU 247.A OE2 no hydrogen 3.103 N/A VAL 230.A N GLY 202.A O no hydrogen 3.120 N/A SER 231.A N ALA 245.A O no hydrogen 2.779 N/A SER 231.A OG PHE 272.A O no hydrogen 2.772 N/A CYS 232.A N ALA 245.A O no hydrogen 3.249 N/A CYS 232.A SG ILE 275.A O no hydrogen 3.508 N/A LEU 234.A N LEU 243.A O no hydrogen 2.808 N/A HIS 236.A N LEU 241.A O no hydrogen 2.943 N/A HIS 238.A N HIS 236.A ND1 no hydrogen 3.158 N/A HIS 238.A ND1 ASN 282.A OD1 no hydrogen 2.642 N/A LEU 241.A N GLN 239.A O no hydrogen 2.738 N/A ILE 242.A N TRP 254.A O no hydrogen 2.905 N/A LEU 243.A N LEU 234.A O no hydrogen 2.939 N/A SER 244.A N ARG 252.A O no hydrogen 2.888 N/A SER 244.A OG HIS 226.A NE2 no hydrogen 2.670 N/A ALA 245.A N CYS 232.A O no hydrogen 2.929 N/A SER 246.A N THR 250.A O no hydrogen 3.159 N/A SER 246.A OG ASN 228.A O no hydrogen 3.364 N/A SER 246.A OG ASN 229.A O no hydrogen 2.873 N/A GLU 247.A N ASN 229.A O no hydrogen 2.919 N/A ASP 248.A N SER 246.A OG no hydrogen 2.851 N/A LYS 249.A N SER 246.A O no hydrogen 3.172 N/A THR 250.A N ASP 248.A OD1 no hydrogen 2.902 N/A THR 250.A OG1 ASP 248.A OD1 no hydrogen 2.341 N/A THR 250.A OG1 ASP 248.A OD2 no hydrogen 3.194 N/A ILE 251.A N PHE 265.A O no hydrogen 2.746 N/A ARG 252.A N SER 244.A O no hydrogen 2.897 N/A ARG 252.A NE HIS 226.A ND1 no hydrogen 3.190 N/A ARG 252.A NE THR 250.A OG1 no hydrogen 3.088 N/A ARG 252.A NH2 ASP 248.A OD2 no hydrogen 3.056 N/A VAL 253.A N GLN 263.A O no hydrogen 2.793 N/A TRP 254.A N ILE 242.A O no hydrogen 2.781 N/A TRP 254.A NE1 SER 244.A OG no hydrogen 2.865 N/A ASP 255.A N THR 260.A O no hydrogen 2.816 N/A LEU 256.A N GLU 240.A O no hydrogen 3.044 N/A ASN 257.A ND2 GLU 240.A OE1 no hydrogen 2.437 N/A ARG 258.A N ASP 255.A OD2 no hydrogen 2.634 N/A ARG 259.A N ASP 255.A O no hydrogen 2.736 N/A ARG 259.A NE ASP 221.A OD2 no hydrogen 2.774 N/A ARG 259.A NH1 LEU 256.A O no hydrogen 2.893 N/A ARG 259.A NH2 ASP 221.A OD2 no hydrogen 3.280 N/A VAL 262.A N VAL 253.A O no hydrogen 2.841 N/A GLN 263.A N VAL 253.A O no hydrogen 3.258 N/A GLN 263.A NE2 THR 264.A O no hydrogen 3.182 N/A PHE 265.A N ILE 251.A O no hydrogen 2.791 N/A ARG 267.A N LYS 249.A O no hydrogen 2.942 N/A ARG 267.A NE ASP 270.A OD2 no hydrogen 2.886 N/A ARG 267.A NH2 ASP 270.A OD2 no hydrogen 3.152 N/A ARG 271.A N ASP 289.A OD2 no hydrogen 2.825 N/A ARG 271.A NE ASP 289.A OD2 no hydrogen 2.779 N/A ARG 271.A NH2 ASP 289.A OD2 no hydrogen 3.294 N/A PHE 272.A N SER 246.A O no hydrogen 3.117 N/A TRP 273.A N ALA 287.A O no hydrogen 2.918 N/A TRP 273.A NE1 ASP 289.A OD1 no hydrogen 2.715 N/A THR 276.A N ALA 285.A O no hydrogen 2.942 N/A THR 276.A OG1 VAL 277.A O no hydrogen 3.511 N/A HIS 278.A N LEU 283.A O no hydrogen 2.758 N/A LYS 280.A N HIS 278.A ND1 no hydrogen 2.983 N/A LEU 281.A N HIS 278.A ND1 no hydrogen 3.138 N/A PHE 284.A N PHE 295.A O no hydrogen 2.969 N/A ALA 285.A N THR 276.A O no hydrogen 2.912 N/A ALA 286.A N MET 293.A O no hydrogen 2.859 N/A ALA 287.A N PHE 274.A O no hydrogen 2.841 N/A HIS 288.A N GLY 291.A O no hydrogen 2.785 N/A ASP 289.A N ARG 271.A O no hydrogen 3.122 N/A SER 290.A N HIS 288.A ND1 no hydrogen 3.009 N/A SER 290.A OG ASP 270.A OD1 no hydrogen 2.848 N/A GLY 291.A N HIS 288.A O no hydrogen 3.234 N/A VAL 292.A N SER 9.A OG no hydrogen 2.988 N/A MET 293.A N ALA 286.A O no hydrogen 3.030 N/A VAL 294.A N PHE 7.A O no hydrogen 2.963 N/A PHE 295.A N PHE 284.A O no hydrogen 2.863 N/A LYS 296.A N LEU 4.A O no hydrogen 2.840 N/A GLU 298.A N ALA 2.A O no hydrogen 2.740 N/A