Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 8jwl_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): TYR 3.A OH GLY 43.A O no hydrogen 2.510 N/A THR 4.A N VAL 13.A O no hydrogen 2.841 N/A THR 4.A OG1 GLN 5.A O no hydrogen 3.442 N/A GLN 5.A NE2 ILE 9.A O no hydrogen 3.065 N/A LEU 6.A N LEU 11.A O no hydrogen 2.928 N/A ARG 8.A N GLY 203.A O no hydrogen 2.711 N/A ARG 8.A NH1 LEU 177.A O no hydrogen 2.994 N/A ARG 8.A NH2 LEU 177.A O no hydrogen 2.858 N/A ARG 8.A NH2 GLY 203.A O no hydrogen 3.100 N/A ILE 9.A N LEU 6.A O no hydrogen 3.146 N/A VAL 13.A N THR 4.A O no hydrogen 2.771 N/A SER 14.A N ASN 45.A OD1 no hydrogen 2.914 N/A SER 14.A OG LEU 16.A O no hydrogen 2.646 N/A SER 14.A OG ASN 45.A OD1 no hydrogen 3.274 N/A ARG 15.A N GLU 2.A O no hydrogen 2.958 N/A ARG 15.A NE GLU 2.A OE1 no hydrogen 3.483 N/A ARG 15.A NH1 GLU 2.A OE1 no hydrogen 3.538 N/A ARG 15.A NH1 LEU 265.A O no hydrogen 2.990 N/A ARG 15.A NH2 LEU 265.A O no hydrogen 3.281 N/A ARG 15.A NH2 THR 271.A O no hydrogen 3.527 N/A VAL 17.A N PRO 273.A O no hydrogen 3.215 N/A LEU 18.A N PHE 46.A O no hydrogen 2.904 N/A GLY 19.A N VAL 275.A O no hydrogen 2.720 N/A THR 20.A N ASP 48.A O no hydrogen 3.056 N/A THR 20.A OG1 ASP 48.A O no hydrogen 2.845 N/A THR 20.A OG1 THR 49.A OG1 no hydrogen 2.769 N/A ASN 22.A ND2 GLY 276.A O no hydrogen 2.883 N/A PHE 23.A N THR 20.A O no hydrogen 3.311 N/A THR 27.A N GLY 24.A O no hydrogen 2.510 N/A THR 27.A OG1 ARG 278.A O no hydrogen 3.436 N/A ASP 28.A N GLU 31.A OE1 no hydrogen 3.234 N/A SER 32.A N ASP 28.A O no hydrogen 3.094 N/A SER 32.A OG ASP 28.A O no hydrogen 3.068 N/A HIS 33.A N GLU 29.A O no hydrogen 2.978 N/A HIS 33.A NE2 ILE 63.A O no hydrogen 2.991 N/A ALA 34.A N ALA 30.A O no hydrogen 3.039 N/A ILE 35.A N GLU 31.A O no hydrogen 3.054 N/A MET 36.A N SER 32.A O no hydrogen 2.896 N/A ASP 37.A N HIS 33.A O no hydrogen 2.853 N/A ALA 38.A N ALA 34.A O no hydrogen 2.850 N/A ALA 39.A N ILE 35.A O no hydrogen 2.850 N/A LEU 40.A N MET 36.A O no hydrogen 2.944 N/A ASP 41.A N ASP 37.A O no hydrogen 2.812 N/A ALA 42.A N ALA 38.A O no hydrogen 2.849 N/A GLY 43.A N LEU 40.A O no hydrogen 2.818 N/A ILE 44.A N ALA 39.A O no hydrogen 2.899 N/A ASN 45.A ND2 LYS 12.A O no hydrogen 3.171 N/A PHE 47.A N VAL 79.A O no hydrogen 3.100 N/A ASP 48.A N LEU 18.A O no hydrogen 2.815 N/A THR 49.A N ALA 81.A O no hydrogen 2.788 N/A THR 49.A OG1 THR 20.A OG1 no hydrogen 2.769 N/A ALA 50.A N THR 49.A OG1 no hydrogen 2.797 N/A TYR 53.A N ALA 50.A O no hydrogen 3.241 N/A LYS 57.A NZ ASN 87.A O no hydrogen 3.470 N/A LYS 57.A NZ GLY 89.A O no hydrogen 3.252 N/A GLY 58.A N TYR 53.A O no hydrogen 3.120 N/A ARG 59.A N ASN 56.A O no hydrogen 3.288 N/A ARG 59.A NH1 GLU 62.A OE1 no hydrogen 2.997 N/A ARG 59.A NH2 GLU 29.A OE2 no hydrogen 3.309 N/A THR 60.A N TYR 53.A O no hydrogen 3.461 N/A GLU 62.A N GLY 58.A O no hydrogen 2.966 N/A ILE 63.A N ARG 59.A O no hydrogen 2.877 N/A LEU 64.A N THR 60.A O no hydrogen 3.085 N/A GLY 65.A N GLU 61.A O no hydrogen 2.886 N/A SER 66.A N GLU 62.A O no hydrogen 2.980 N/A SER 66.A OG HIS 33.A NE2 no hydrogen 3.074 N/A SER 66.A OG GLU 62.A O no hydrogen 3.557 N/A SER 66.A OG ILE 63.A O no hydrogen 3.201 N/A TRP 67.A N ILE 63.A O no hydrogen 3.091 N/A TRP 67.A NE1 ASP 37.A OD1 no hydrogen 2.724 N/A PHE 68.A N LEU 64.A O no hydrogen 2.925 N/A ALA 69.A N GLY 65.A O no hydrogen 2.972 N/A GLN 70.A N SER 66.A O no hydrogen 3.339 N/A GLN 70.A N TRP 67.A O no hydrogen 3.228 N/A GLY 71.A N PHE 68.A O no hydrogen 2.986 N/A ARG 74.A N GLY 71.A O no hydrogen 3.487 N/A ARG 74.A NE ASP 37.A OD1 no hydrogen 2.863 N/A ARG 74.A NH1 ASP 37.A OD1 no hydrogen 3.385 N/A ARG 74.A NH1 ASP 37.A OD2 no hydrogen 2.964 N/A ARG 74.A NH2 GLY 71.A O no hydrogen 2.822 N/A ARG 75.A NE THR 116.A OG1 no hydrogen 2.910 N/A ARG 75.A NH1 HIS 118.A O no hydrogen 2.813 N/A ARG 75.A NH1 ASP 120.A OD2 no hydrogen 3.051 N/A ARG 75.A NH2 ARG 75.A O no hydrogen 2.930 N/A ARG 75.A NH2 VAL 78.A O no hydrogen 3.051 N/A ARG 75.A NH2 ASP 120.A OD2 no hydrogen 3.002 N/A LYS 77.A N ASP 73.A O no hydrogen 3.102 N/A LYS 77.A N ARG 74.A O no hydrogen 3.336 N/A VAL 78.A N ARG 75.A O no hydrogen 3.306 N/A VAL 79.A N ASN 45.A O no hydrogen 2.608 N/A LEU 80.A N ASP 120.A OD2 no hydrogen 2.647 N/A ALA 81.A N PHE 47.A O no hydrogen 2.948 N/A THR 82.A N LEU 121.A O no hydrogen 3.125 N/A THR 82.A OG1 GLU 61.A OE1 no hydrogen 2.615 N/A LYS 83.A N THR 82.A OG1 no hydrogen 2.645 N/A LYS 83.A NZ ASP 48.A OD1 no hydrogen 3.049 N/A LYS 83.A NZ ASP 48.A OD2 no hydrogen 2.690 N/A LYS 83.A NZ THR 49.A O no hydrogen 3.249 N/A LYS 83.A NZ TYR 53.A OH no hydrogen 3.279 N/A VAL 84.A N GLN 123.A O no hydrogen 2.967 N/A GLY 89.A N ASN 87.A OD1 no hydrogen 3.015 N/A HIS 95.A N TRP 92.A O no hydrogen 2.991 N/A LYS 97.A N TYR 85.A O no hydrogen 2.847 N/A LYS 97.A NZ TYR 85.A OH no hydrogen 3.014 N/A LEU 98.A N ASP 128.A OD2 no hydrogen 2.851 N/A ALA 100.A N GLU 135.A OE2 no hydrogen 2.933 N/A ASN 102.A N SER 99.A OG no hydrogen 3.080 N/A ASN 102.A ND2 LYS 97.A O no hydrogen 2.786 N/A ILE 103.A N SER 99.A O no hydrogen 2.891 N/A ARG 104.A N ALA 100.A O no hydrogen 3.028 N/A ARG 105.A N LEU 101.A O no hydrogen 3.277 N/A ARG 105.A NH2 ASN 102.A OD1 no hydrogen 3.093 N/A SER 106.A N ASN 102.A O no hydrogen 2.914 N/A SER 106.A OG ASN 102.A O no hydrogen 2.834 N/A SER 106.A OG ASN 102.A OD1 no hydrogen 3.198 N/A VAL 107.A N ILE 103.A O no hydrogen 3.015 N/A ASP 108.A N ARG 104.A O no hydrogen 3.353 N/A ALA 109.A N ARG 105.A O no hydrogen 3.123 N/A SER 110.A N SER 106.A O no hydrogen 2.799 N/A SER 110.A OG GLU 61.A OE1 no hydrogen 2.693 N/A SER 110.A OG GLU 61.A OE2 no hydrogen 3.179 N/A SER 110.A OG SER 106.A O no hydrogen 3.483 N/A LEU 111.A N VAL 107.A O no hydrogen 2.775 N/A LYS 112.A N ASP 108.A O no hydrogen 3.159 N/A ARG 113.A N ALA 109.A O no hydrogen 3.134 N/A ARG 113.A NE GLU 61.A OE2 no hydrogen 2.790 N/A ARG 113.A NH1 GLU 61.A OE2 no hydrogen 2.867 N/A LEU 114.A N SER 110.A O no hydrogen 2.860 N/A GLY 115.A N LYS 112.A O no hydrogen 3.251 N/A THR 116.A N LEU 111.A O no hydrogen 3.480 N/A THR 116.A OG1 HIS 118.A O no hydrogen 3.325 N/A HIS 118.A ND1 ASP 117.A OD1 no hydrogen 2.687 N/A ILE 119.A N LYS 148.A O no hydrogen 2.817 N/A LEU 121.A N LEU 80.A O no hydrogen 3.029 N/A TYR 122.A N TYR 151.A O no hydrogen 2.948 N/A GLN 123.A N THR 82.A O no hydrogen 2.956 N/A GLN 123.A NE2 ASP 48.A OD1 no hydrogen 2.800 N/A GLN 123.A NE2 THR 82.A O no hydrogen 3.175 N/A PHE 124.A N GLY 153.A O no hydrogen 2.823 N/A HIS 125.A N VAL 84.A O no hydrogen 2.981 N/A HIS 126.A ND1 VAL 127.A O no hydrogen 3.089 N/A VAL 127.A N ASN 156.A O no hydrogen 3.342 N/A ASP 130.A N ASP 128.A OD1 no hydrogen 3.042 N/A THR 131.A N ASP 128.A O no hydrogen 3.414 N/A THR 131.A OG1 ASP 128.A OD2 no hydrogen 2.679 N/A ILE 136.A N PRO 132.A O no hydrogen 3.125 N/A TRP 137.A N TRP 133.A O no hydrogen 2.766 N/A TRP 137.A NE1 ALA 165.A O no hydrogen 2.918 N/A GLN 138.A N ASP 134.A O no hydrogen 3.150 N/A ALA 139.A N GLU 135.A O no hydrogen 3.218 N/A MET 140.A N ILE 136.A O no hydrogen 3.012 N/A ASP 141.A N TRP 137.A O no hydrogen 2.762 N/A VAL 142.A N GLN 138.A O no hydrogen 2.934 N/A LEU 143.A N ALA 139.A O no hydrogen 3.326 N/A VAL 144.A N MET 140.A O no hydrogen 2.766 N/A ARG 145.A N ASP 141.A O no hydrogen 2.954 N/A ARG 145.A NE ASP 141.A OD2 no hydrogen 3.211 N/A GLN 146.A N VAL 142.A O no hydrogen 2.958 N/A GLY 147.A N VAL 144.A O no hydrogen 2.896 N/A LYS 148.A N LEU 143.A O no hydrogen 3.006 N/A LYS 148.A NZ GLN 146.A OE1 no hydrogen 2.640 N/A LEU 150.A N ILE 119.A O no hydrogen 3.155 N/A TYR 151.A N ASP 120.A O no hydrogen 2.836 N/A GLY 153.A N TYR 122.A O no hydrogen 2.921 N/A SER 154.A N SER 179.A O no hydrogen 2.727 N/A SER 154.A OG SER 179.A O no hydrogen 3.178 N/A SER 154.A OG GLU 180.A OE1 no hydrogen 2.527 N/A SER 155.A OG GLN 181.A O no hydrogen 3.357 N/A ASN 156.A N GLN 181.A O no hydrogen 2.937 N/A ASN 156.A ND2 HIS 125.A O no hydrogen 3.019 N/A PHE 157.A N GLU 180.A OE2 no hydrogen 3.178 N/A ALA 158.A N ASN 161.A OD1 no hydrogen 3.044 N/A ILE 162.A N ALA 158.A O no hydrogen 3.153 N/A ALA 163.A N GLY 159.A O no hydrogen 3.080 N/A GLN 164.A N TRP 160.A O no hydrogen 2.948 N/A ALA 165.A N ASN 161.A O no hydrogen 2.906 N/A ASN 166.A N ILE 162.A O no hydrogen 3.086 N/A ASN 166.A ND2 LEU 177.A O no hydrogen 3.107 N/A GLU 167.A N ALA 163.A O no hydrogen 2.937 N/A THR 168.A N GLN 164.A O no hydrogen 3.012 N/A THR 168.A OG1 GLN 164.A O no hydrogen 2.589 N/A ALA 169.A N ALA 165.A O no hydrogen 2.867 N/A ALA 170.A N ASN 166.A O no hydrogen 2.815 N/A ARG 171.A N GLU 167.A O no hydrogen 3.078 N/A HIS 172.A N ALA 169.A O no hydrogen 3.237 N/A GLY 173.A N ALA 170.A O no hydrogen 3.269 N/A ARG 174.A N ALA 169.A O no hydrogen 3.061 N/A ARG 174.A NH1 ASP 141.A OD2 no hydrogen 3.208 N/A LEU 177.A N ASN 166.A OD1 no hydrogen 2.664 N/A VAL 178.A N VAL 152.A O no hydrogen 2.870 N/A GLU 180.A N GLY 205.A O no hydrogen 2.777 N/A GLN 181.A N SER 154.A O no hydrogen 2.859 N/A GLN 181.A NE2 GLN 123.A OE1 no hydrogen 3.087 N/A CYS 182.A N ILE 207.A O no hydrogen 2.892 N/A TYR 184.A N TRP 209.A O no hydrogen 3.438 N/A TYR 184.A OH GLU 192.A OE2 no hydrogen 2.545 N/A ASN 185.A N GLU 188.A O no hydrogen 3.132 N/A ASN 185.A ND2 SER 210.A O no hydrogen 2.895 N/A ASN 185.A ND2 HIS 213.A ND1 no hydrogen 3.298 N/A GLU 188.A N ASN 185.A O no hydrogen 3.067 N/A GLU 188.A N ASN 185.A OD1 no hydrogen 2.907 N/A ARG 189.A NE GLU 192.A OE1 no hydrogen 3.253 N/A ARG 189.A NE GLU 192.A OE2 no hydrogen 3.152 N/A ARG 189.A NH1 ASP 303.A OD1 no hydrogen 3.132 N/A ARG 189.A NH1 PHE 306.A O no hydrogen 2.691 N/A ARG 189.A NH2 GLU 192.A OE1 no hydrogen 3.224 N/A ARG 189.A NH2 GLU 192.A OE2 no hydrogen 3.102 N/A ARG 190.A N GLU 188.A OE2 no hydrogen 3.078 N/A ARG 190.A NE GLU 188.A OE1 no hydrogen 3.475 N/A ARG 190.A NE GLU 188.A OE2 no hydrogen 2.958 N/A ARG 190.A NH1 GLU 188.A OE1 no hydrogen 2.927 N/A GLU 192.A N ARG 189.A O no hydrogen 2.929 N/A MET 193.A N ARG 190.A O no hydrogen 2.924 N/A VAL 196.A N ALA 191.A O no hydrogen 2.879 N/A ALA 198.A N GLU 194.A O no hydrogen 2.873 N/A ALA 199.A N VAL 195.A O no hydrogen 2.853 N/A ARG 200.A N VAL 196.A O no hydrogen 2.858 N/A GLU 201.A N PRO 197.A O no hydrogen 2.977 N/A TYR 202.A N ALA 198.A O no hydrogen 2.879 N/A TYR 202.A OH GLU 167.A OE1 no hydrogen 2.635 N/A GLY 203.A N ARG 200.A O no hydrogen 3.342 N/A LEU 204.A N ALA 199.A O no hydrogen 2.819 N/A GLY 205.A N VAL 178.A O no hydrogen 2.816 N/A ILE 207.A N GLU 180.A O no hydrogen 2.883 N/A ALA 208.A N GLY 272.A O no hydrogen 2.859 N/A TRP 209.A N CYS 182.A O no hydrogen 2.934 N/A TRP 209.A NE1 ASN 156.A OD1 no hydrogen 2.930 N/A HIS 213.A N SER 210.A O no hydrogen 3.080 N/A LEU 216.A N HIS 213.A O no hydrogen 3.110 N/A LEU 217.A N LEU 212.A O no hydrogen 2.958 N/A GLY 218.A N GLY 215.A O no hydrogen 2.995 N/A ILE 221.A N GLU 246.A OE2 no hydrogen 2.860 N/A ARG 222.A N GLU 246.A OE1 no hydrogen 2.937 N/A LYS 223.A N GLY 219.A O no hydrogen 3.049 N/A LYS 223.A NZ GLY 218.A O no hydrogen 2.858 N/A GLU 224.A N ALA 220.A O no hydrogen 3.105 N/A GLN 225.A N ILE 221.A O no hydrogen 2.903 N/A GLN 225.A NE2 GLU 224.A OE2 no hydrogen 3.392 N/A GLU 226.A N ARG 222.A O no hydrogen 2.996 N/A GLY 227.A N LYS 223.A O no hydrogen 3.345 N/A GLY 227.A N GLU 224.A O no hydrogen 3.151 N/A LYS 234.A N ASP 231.A OD1 no hydrogen 2.773 N/A GLN 237.A N ASP 235.A OD1 no hydrogen 3.380 N/A ARG 239.A N ASP 235.A O no hydrogen 2.844 N/A ARG 239.A NH1 GLU 224.A OE2 no hydrogen 2.479 N/A ARG 239.A NH2 GLU 224.A OE1 no hydrogen 3.423 N/A ARG 239.A NH2 LEU 233.A O no hydrogen 2.599 N/A GLU 240.A N PRO 236.A O no hydrogen 3.073 N/A GLN 241.A N GLN 237.A O no hydrogen 3.262 N/A GLN 241.A NE2 ILE 305.A O no hydrogen 2.719 N/A ILE 242.A N GLN 238.A O no hydrogen 3.243 N/A GLN 243.A N ARG 239.A O no hydrogen 2.802 N/A GLN 243.A NE2 GLN 243.A O no hydrogen 3.502 N/A GLN 243.A NE2 ASP 247.A OD1 no hydrogen 2.935 N/A ARG 244.A N GLU 240.A O no hydrogen 2.793 N/A TYR 245.A N GLN 241.A O no hydrogen 2.888 N/A TYR 245.A OH PRO 256.A O no hydrogen 2.732 N/A GLU 246.A N ILE 242.A O no hydrogen 2.828 N/A ASP 247.A N GLN 243.A O no hydrogen 2.803 N/A LEU 248.A N ARG 244.A O no hydrogen 2.869 N/A LEU 249.A N TYR 245.A O no hydrogen 3.039 N/A ASP 250.A N GLU 246.A O no hydrogen 2.887 N/A LYS 251.A N ASP 247.A O no hydrogen 3.019 N/A HIS 252.A N LEU 249.A O no hydrogen 3.079 N/A HIS 252.A ND1 LEU 248.A O no hydrogen 2.960 N/A HIS 252.A NE2 GLU 297.A OE2 no hydrogen 3.281 N/A GLY 253.A N ASP 250.A O no hydrogen 3.199 N/A LEU 254.A N LEU 249.A O no hydrogen 3.059 N/A VAL 259.A N GLU 255.A O no hydrogen 2.962 N/A ALA 260.A N PRO 256.A O no hydrogen 3.067 N/A LEU 261.A N GLY 257.A O no hydrogen 3.428 N/A ALA 262.A N GLU 258.A O no hydrogen 2.920 N/A TRP 263.A N VAL 259.A O no hydrogen 2.791 N/A LEU 265.A N LEU 261.A O no hydrogen 3.370 N/A THR 266.A N TRP 263.A O no hydrogen 3.013 N/A THR 266.A OG1 TRP 263.A O no hydrogen 2.763 N/A ARG 267.A N LEU 264.A O no hydrogen 2.889 N/A ARG 267.A NE TYR 184.A OH no hydrogen 3.406 N/A ARG 267.A NH2 GLU 192.A OE2 no hydrogen 3.285 N/A VAL 270.A N ARG 267.A O no hydrogen 3.065 N/A THR 271.A N VAL 206.A O no hydrogen 2.633 N/A THR 271.A OG1 VAL 206.A O no hydrogen 3.412 N/A GLY 272.A N VAL 206.A O no hydrogen 3.408 N/A ILE 274.A N ALA 208.A O no hydrogen 2.848 N/A VAL 275.A N VAL 17.A O no hydrogen 2.863 N/A ARG 278.A N GLN 282.A OE1 no hydrogen 2.752 N/A ARG 278.A NH1 THR 26.A OG1 no hydrogen 2.892 N/A GLN 282.A N THR 279.A OG1 no hydrogen 3.011 N/A LEU 283.A N THR 279.A O no hydrogen 3.303 N/A ALA 284.A N ALA 280.A O no hydrogen 3.094 N/A SER 285.A N ASP 281.A O no hydrogen 3.001 N/A SER 285.A OG GLU 258.A OE1 no hydrogen 3.082 N/A ALA 286.A N GLN 282.A O no hydrogen 2.962 N/A VAL 287.A N LEU 283.A O no hydrogen 2.830 N/A ARG 288.A N ALA 284.A O no hydrogen 3.066 N/A ARG 288.A NH1 GLU 258.A OE1 no hydrogen 3.035 N/A ALA 289.A N SER 285.A O no hydrogen 3.084 N/A ALA 290.A N ALA 286.A O no hydrogen 3.121 N/A GLU 291.A N ARG 288.A O no hydrogen 3.088 N/A LEU 292.A N ARG 288.A O no hydrogen 3.034 N/A VAL 298.A N THR 295.A OG1 no hydrogen 3.139 N/A LEU 299.A N THR 295.A O no hydrogen 3.064 N/A THR 300.A N ASP 296.A O no hydrogen 2.932 N/A THR 300.A OG1 ASP 296.A O no hydrogen 2.976 N/A ALA 301.A N GLU 297.A O no hydrogen 3.029 N/A LEU 302.A N VAL 298.A O no hydrogen 2.873 N/A ASP 303.A N LEU 299.A O no hydrogen 3.156 N/A GLU 304.A N THR 300.A O no hydrogen 3.059 N/A ILE 305.A N ALA 301.A O no hydrogen 3.021 N/A PHE 306.A N LEU 302.A O no hydrogen 2.779 N/A SER 312.A N MET 193.A O no hydrogen 2.883 N/A GLU 314.A N GLU 314.A OE1 no hydrogen 2.677 N/A ALA 315.A N PRO 311.A O no hydrogen 2.746 N/A PHE 316.A N PRO 313.A O no hydrogen 3.222 N/A ALA 317.A N PRO 313.A O no hydrogen 2.807 N/A