Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 1xgk_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): LYS 3.A NZ VAL 26.A O no hydrogen 2.769 N/A LYS 4.A NZ GLN 104.A OE1 no hydrogen 2.772 N/A ILE 6.A N HIS 29.A O no hydrogen 2.929 N/A ALA 7.A N LEU 74.A O no hydrogen 2.853 N/A VAL 8.A N ARG 31.A O no hydrogen 2.828 N/A VAL 9.A N PHE 76.A O no hydrogen 3.218 N/A GLY 13.A N GLY 10.A O no hydrogen 3.056 N/A ARG 14.A NH1 ASN 153.A OD1 no hydrogen 2.911 N/A ARG 14.A NH1 ASN 154.A OD1 no hydrogen 3.134 N/A GLN 15.A NE2 SER 109.A OG no hydrogen 2.696 N/A ALA 17.A N GLY 13.A O no hydrogen 2.906 N/A SER 18.A N ARG 14.A O no hydrogen 3.209 N/A SER 18.A OG ALA 190.A O no hydrogen 3.001 N/A SER 18.A OG GLU 191.A O no hydrogen 2.885 N/A LEU 19.A N GLN 15.A O no hydrogen 3.096 N/A ILE 20.A N GLY 16.A O no hydrogen 2.844 N/A ARG 21.A N ALA 17.A O no hydrogen 2.995 N/A ARG 21.A NE GLU 44.A OE2 no hydrogen 2.798 N/A ARG 21.A NH2 GLU 44.A OE1 no hydrogen 2.990 N/A VAL 22.A N SER 18.A O no hydrogen 3.447 N/A ALA 23.A N LEU 19.A O no hydrogen 2.769 N/A ALA 24.A N ILE 20.A O no hydrogen 2.978 N/A ALA 25.A N ARG 21.A O no hydrogen 3.194 N/A VAL 26.A N VAL 22.A O no hydrogen 3.169 N/A VAL 26.A N ALA 23.A O no hydrogen 3.243 N/A GLY 27.A N ALA 24.A O no hydrogen 2.999 N/A HIS 28.A N ALA 23.A O no hydrogen 2.989 N/A HIS 28.A ND1 LYS 4.A O no hydrogen 2.708 N/A VAL 30.A N ASN 50.A O no hydrogen 2.858 N/A ARG 31.A N ILE 6.A O no hydrogen 2.942 N/A ARG 31.A NE THR 67.A O no hydrogen 3.390 N/A ARG 31.A NE LEU 68.A O no hydrogen 2.884 N/A ARG 31.A NH2 THR 67.A O no hydrogen 2.748 N/A ALA 32.A N THR 52.A O no hydrogen 2.901 N/A GLN 33.A N VAL 8.A O no hydrogen 3.099 N/A VAL 34.A N PHE 54.A O no hydrogen 3.075 N/A GLU 43.A N GLY 39.A O no hydrogen 2.863 N/A GLU 44.A N LEU 40.A O no hydrogen 2.905 N/A LEU 45.A N ILE 41.A O no hydrogen 2.750 N/A GLN 46.A N ALA 42.A O no hydrogen 2.849 N/A ALA 47.A N GLU 44.A O no hydrogen 3.191 N/A ILE 48.A N LEU 45.A O no hydrogen 3.008 N/A ASN 50.A ND2 ALA 24.A O no hydrogen 3.190 N/A VAL 51.A N ILE 48.A O no hydrogen 2.932 N/A THR 52.A N VAL 30.A O no hydrogen 2.864 N/A PHE 54.A N ALA 32.A O no hydrogen 2.844 N/A GLN 55.A N GLN 55.A OE1 no hydrogen 2.610 N/A GLY 56.A N VAL 34.A O no hydrogen 2.984 N/A ASN 61.A N LEU 58.A O no hydrogen 3.001 N/A ASN 61.A ND2 PRO 57.A O no hydrogen 2.933 N/A LEU 64.A N ASN 61.A O no hydrogen 3.075 N/A LEU 64.A N ASN 61.A OD1 no hydrogen 3.302 N/A MET 65.A N ASN 61.A O no hydrogen 3.344 N/A ASP 66.A N VAL 62.A O no hydrogen 2.812 N/A THR 67.A N PRO 63.A O no hydrogen 3.004 N/A THR 67.A OG1 PRO 63.A O no hydrogen 3.077 N/A LEU 68.A N LEU 64.A O no hydrogen 2.939 N/A PHE 69.A N MET 65.A O no hydrogen 3.126 N/A GLU 70.A N THR 67.A O no hydrogen 3.193 N/A ALA 72.A N PHE 69.A O no hydrogen 3.019 N/A HIS 73.A N THR 5.A O no hydrogen 2.983 N/A LEU 74.A N THR 5.A O no hydrogen 3.115 N/A ALA 75.A N HIS 105.A O no hydrogen 3.082 N/A PHE 76.A N ALA 7.A O no hydrogen 2.937 N/A ILE 77.A N ILE 107.A O no hydrogen 2.786 N/A ASN 78.A N VAL 9.A O no hydrogen 3.187 N/A THR 79.A OG1 GLU 86.A OE2 no hydrogen 2.783 N/A THR 79.A OG1 TYR 108.A OH no hydrogen 3.428 N/A GLN 82.A NE2 THR 80.A OG1.A no hydrogen 3.219 N/A GLY 84.A N SER 81.A O no hydrogen 2.600 N/A ILE 89.A N ASP 85.A O no hydrogen 2.949 N/A GLY 90.A N GLU 86.A O no hydrogen 2.931 N/A LYS 91.A N ILE 87.A O no hydrogen 3.080 N/A ASP 92.A N ALA 88.A O no hydrogen 2.893 N/A LEU 93.A N ILE 89.A O no hydrogen 2.856 N/A ALA 94.A N GLY 90.A O no hydrogen 3.132 N/A ASP 95.A N LYS 91.A O no hydrogen 2.884 N/A ALA 96.A N ASP 92.A O no hydrogen 2.945 N/A ALA 97.A N LEU 93.A O no hydrogen 2.867 N/A LYS 98.A N ALA 94.A O no hydrogen 3.029 N/A ARG 99.A N ASP 95.A O no hydrogen 2.840 N/A ARG 99.A NH2 ASP 66.A OD1 no hydrogen 2.864 N/A ALA 100.A N ALA 96.A O no hydrogen 3.045 N/A GLY 101.A N LYS 98.A O no hydrogen 2.903 N/A THR 102.A OG1 ALA 72.A O no hydrogen 2.577 N/A GLN 104.A N HIS 73.A O no hydrogen 2.734 N/A HIS 105.A NE2 THR 144.A OG1 no hydrogen 2.746 N/A TYR 106.A N PRO 142.A O no hydrogen 2.879 N/A ILE 107.A N ALA 75.A O no hydrogen 2.843 N/A TYR 108.A N THR 144.A O no hydrogen 2.917 N/A TYR 108.A OH THR 79.A OG1 no hydrogen 3.428 N/A SER 109.A N ILE 77.A O no hydrogen 2.835 N/A SER 109.A OG ASN 78.A OD1.A no hydrogen 3.244 N/A SER 110.A N VAL 146.A O no hydrogen 2.860 N/A SER 110.A OG MET 111.A O no hydrogen 3.509 N/A SER 110.A OG LYS 129.A O no hydrogen 3.502 N/A SER 110.A OG GLU 133.A OE1 no hydrogen 2.752 N/A HIS 114.A NE2 PRO 273.A O no hydrogen 2.800 N/A SER 115.A N ASP 113.A OD1 no hydrogen 3.194 N/A SER 115.A OG ASP 113.A OD1 no hydrogen 2.654 N/A LEU 116.A N ASP 113.A O no hydrogen 3.188 N/A TYR 117.A N HIS 114.A O no hydrogen 3.082 N/A MET 125.A N GLN 259.A OE1 no hydrogen 2.747 N/A TRP 126.A N VAL 123.A O no hydrogen 2.841 N/A ALA 127.A N VAL 123.A O no hydrogen 2.998 N/A LYS 129.A N TRP 126.A O no hydrogen 2.915 N/A LYS 129.A NZ GLU 86.A OE2 no hydrogen 2.757 N/A PHE 130.A N ALA 127.A O no hydrogen 2.964 N/A THR 131.A N ALA 127.A O no hydrogen 3.350 N/A VAL 132.A N PRO 128.A O no hydrogen 3.230 N/A GLU 133.A N LYS 129.A O no hydrogen 2.942 N/A ASN 134.A N PHE 130.A O no hydrogen 3.043 N/A TYR 135.A N THR 131.A O no hydrogen 3.138 N/A TYR 135.A OH ASP 95.A OD1 no hydrogen 2.526 N/A TYR 135.A OH ASP 95.A OD2 no hydrogen 3.174 N/A VAL 136.A N VAL 132.A O no hydrogen 2.774 N/A ARG 137.A N GLU 133.A O no hydrogen 2.898 N/A ARG 137.A NE GLU 133.A OE2 no hydrogen 3.099 N/A ARG 137.A NH1 GLY 211.A O no hydrogen 2.874 N/A ARG 137.A NH2 GLU 133.A OE2 no hydrogen 3.040 N/A ARG 137.A NH2 GLY 211.A O no hydrogen 3.184 N/A GLN 138.A N TYR 135.A O no hydrogen 3.156 N/A LEU 139.A N VAL 136.A O no hydrogen 2.954 N/A SER 143.A N ASN 210.A OD1 no hydrogen 2.817 N/A THR 144.A N TYR 106.A O no hydrogen 2.894 N/A THR 144.A OG1 HIS 105.A NE2 no hydrogen 2.746 N/A THR 144.A OG1 TRP 209.A O no hydrogen 2.861 N/A PHE 145.A N HIS 212.A O no hydrogen 2.892 N/A VAL 146.A N TYR 108.A O no hydrogen 3.076 N/A TYR 147.A N ILE 214.A O no hydrogen 2.763 N/A TYR 147.A OH GLU 133.A OE1 no hydrogen 2.579 N/A GLY 149.A N LEU 216.A O no hydrogen 3.083 N/A ILE 150.A N PRO 186.A O no hydrogen 2.755 N/A TYR 151.A OH GLN 15.A OE1 no hydrogen 2.715 N/A ASN 152.A N LEU 188.A O no hydrogen 2.776 N/A ASN 153.A ND2 GLU 315.A OE2 no hydrogen 3.191 N/A ASN 154.A N TYR 151.A O no hydrogen 3.075 N/A PHE 155.A N ASN 152.A O no hydrogen 3.388 N/A THR 156.A N PHE 163.A O no hydrogen 3.351 N/A THR 156.A OG1 GLU 316.A OE2 no hydrogen 3.268 N/A SER 157.A N GLU 316.A OE2 no hydrogen 2.785 N/A SER 157.A OG GLU 316.A OE1 no hydrogen 2.603 N/A SER 157.A OG GLU 316.A OE2 no hydrogen 3.474 N/A LEU 158.A N THR 156.A OG1 no hydrogen 3.101 N/A TYR 160.A N LEU 158.A O no hydrogen 2.742 N/A PHE 163.A N PRO 161.A O no hydrogen 2.812 N/A GLN 164.A NE2 SER 157.A O no hydrogen 3.201 N/A MET 165.A N THR 156.A O no hydrogen 2.814 N/A GLU 166.A N GLU 174.A O no hydrogen 2.884 N/A MET 168.A N THR 172.A O no hydrogen 2.721 N/A GLY 171.A N MET 168.A O no hydrogen 2.890 N/A THR 172.A N ASP 170.A OD1 no hydrogen 3.017 N/A THR 172.A OG1 ASP 170.A OD1 no hydrogen 2.628 N/A PHE 173.A N ARG 237.A O no hydrogen 2.809 N/A GLU 174.A N GLU 166.A O no hydrogen 2.928 N/A TRP 175.A N THR 239.A O no hydrogen 3.010 N/A TRP 175.A NE1 LEU 162.A O no hydrogen 2.795 N/A HIS 176.A ND1 GLU 247.A OE2 no hydrogen 2.922 N/A HIS 176.A NE2 GLU 174.A OE1 no hydrogen 2.666 N/A ALA 177.A N VAL 241.A O no hydrogen 3.241 N/A ASP 182.A N ASP 180.A OD1 no hydrogen 2.908 N/A LEU 185.A N LEU 221.A O no hydrogen 2.863 N/A TRP 187.A N GLU 219.A O no hydrogen 2.858 N/A TRP 187.A NE1 LEU 221.A O no hydrogen 3.089 N/A LEU 188.A N ILE 150.A O no hydrogen 2.756 N/A HIS 192.A N ASP 189.A OD1 no hydrogen 3.214 N/A HIS 192.A ND1 ASP 189.A OD1 no hydrogen 3.098 N/A HIS 192.A ND1 ASP 189.A OD2 no hydrogen 2.783 N/A ASP 193.A N ASP 189.A O no hydrogen 2.842 N/A VAL 194.A N ALA 190.A O no hydrogen 3.252 N/A GLY 195.A N SER 18.A OG no hydrogen 2.810 N/A ALA 197.A N ASP 193.A O no hydrogen 3.338 N/A LEU 198.A N VAL 194.A O no hydrogen 2.926 N/A LEU 199.A N GLY 195.A O no hydrogen 2.983 N/A GLN 200.A N PRO 196.A O no hydrogen 3.119 N/A ILE 201.A N ALA 197.A O no hydrogen 3.164 N/A PHE 202.A N LEU 198.A O no hydrogen 3.033 N/A LYS 203.A N LEU 199.A O no hydrogen 2.770 N/A ASP 204.A N GLN 200.A O no hydrogen 2.775 N/A GLY 205.A N ILE 201.A O no hydrogen 3.105 N/A TRP 209.A N GLY 205.A O no hydrogen 3.314 N/A TRP 209.A NE1 ASP 204.A OD1 no hydrogen 2.880 N/A ASN 210.A N PRO 206.A O no hydrogen 2.750 N/A GLY 211.A N SER 143.A O no hydrogen 2.778 N/A HIS 212.A N TRP 209.A O no hydrogen 3.084 N/A ARG 213.A NE GLU 133.A OE2 no hydrogen 2.707 N/A ARG 213.A NH1 GLU 279.A OE2 no hydrogen 2.810 N/A ILE 214.A N PHE 145.A O no hydrogen 2.769 N/A LEU 216.A N TYR 147.A O no hydrogen 2.681 N/A THR 217.A OG1 TRP 187.A O no hydrogen 2.866 N/A PHE 218.A N TRP 187.A O no hydrogen 3.406 N/A LEU 221.A N LEU 185.A O no hydrogen 2.969 N/A SER 222.A N GLN 225.A OE1 no hydrogen 2.948 N/A VAL 224.A N PRO 181.A O no hydrogen 3.224 N/A GLN 225.A N SER 222.A OG no hydrogen 3.180 N/A VAL 226.A N SER 222.A O no hydrogen 2.887 N/A CYS 227.A N PRO 223.A O no hydrogen 3.054 N/A CYS 227.A SG PRO 223.A O no hydrogen 3.461 N/A ALA 228.A N VAL 224.A O no hydrogen 3.003 N/A ALA 229.A N GLN 225.A O no hydrogen 2.927 N/A PHE 230.A N VAL 226.A O no hydrogen 2.965 N/A SER 231.A N CYS 227.A O no hydrogen 2.875 N/A SER 231.A OG ARG 236.A O no hydrogen 2.784 N/A ARG 232.A N ALA 228.A O no hydrogen 2.977 N/A ALA 233.A N ALA 229.A O no hydrogen 2.933 N/A LEU 234.A N PHE 230.A O no hydrogen 2.797 N/A ASN 235.A N SER 231.A O no hydrogen 2.853 N/A ARG 236.A NH1 GLY 171.A O no hydrogen 2.816 N/A THR 239.A N PHE 173.A O no hydrogen 2.930 N/A TYR 240.A OH PHE 179.A O no hydrogen 2.669 N/A VAL 241.A N TRP 175.A O no hydrogen 2.901 N/A VAL 243.A N ALA 177.A O no hydrogen 2.958 N/A VAL 246.A N GLU 264.A OE2 no hydrogen 2.651 N/A LYS 249.A NZ GLN 164.A OE1 no hydrogen 2.791 N/A LYS 249.A NZ GLU 166.A OE2 no hydrogen 3.499 N/A TYR 256.A N PRO 253.A O no hydrogen 2.910 N/A ARG 257.A N PRO 253.A O no hydrogen 3.284 N/A GLU 258.A N VAL 254.A O no hydrogen 3.159 N/A GLN 259.A N GLY 255.A O no hydrogen 3.143 N/A LEU 260.A N TYR 256.A O no hydrogen 2.834 N/A GLU 261.A N ARG 257.A O no hydrogen 2.919 N/A ALA 262.A N GLU 258.A O no hydrogen 3.148 N/A ILE 263.A N GLN 259.A O no hydrogen 3.082 N/A GLU 264.A N LEU 260.A O no hydrogen 2.928 N/A VAL 265.A N GLU 261.A O no hydrogen 3.178 N/A VAL 266.A N ALA 262.A O no hydrogen 2.813 N/A PHE 267.A N ILE 263.A O no hydrogen 2.847 N/A GLU 269.A N GLU 264.A O no hydrogen 2.869 N/A HIS 270.A N VAL 265.A O no hydrogen 2.972 N/A LYS 271.A NZ ASP 180.A OD2 no hydrogen 2.574 N/A ALA 272.A N VAL 266.A O no hydrogen 2.914 N/A PHE 280.A N LEU 277.A O no hydrogen 2.835 N/A SER 281.A N PRO 278.A O no hydrogen 3.130 N/A SER 281.A OG PHE 280.A O no hydrogen 2.598 N/A VAL 285.A N PRO 282.A O no hydrogen 3.222 N/A ARG 289.A N ASP 292.A OD2 no hydrogen 2.573 N/A ASP 292.A N ARG 289.A O no hydrogen 2.977 N/A ARG 295.A N THR 291.A O no hydrogen 3.077 N/A ARG 295.A NE PHE 218.A O no hydrogen 2.786 N/A ARG 295.A NH2 PHE 218.A O no hydrogen 2.754 N/A LYS 296.A N ASP 292.A O no hydrogen 3.020 N/A LEU 297.A N GLU 293.A O no hydrogen 2.923 N/A TRP 298.A N ALA 294.A O no hydrogen 2.972 N/A TRP 298.A NE1 ASP 193.A OD1 no hydrogen 2.854 N/A ARG 302.A N ASP 193.A OD2 no hydrogen 2.918 N/A ARG 302.A NE.B ASP 189.A OD2 no hydrogen 3.378 N/A ARG 302.A NE.B HIS 192.A ND1 no hydrogen 3.400 N/A ARG 302.A NH1.B GLU 310.A OE1 no hydrogen 2.897 N/A ARG 302.A NH2.B GLU 310.A OE1 no hydrogen 2.634 N/A MET 304.A N GLU 219.A OE2 no hydrogen 2.879 N/A GLU 306.A N ASP 303.A OD1 no hydrogen 2.855 N/A TYR 307.A N ASP 303.A O no hydrogen 3.149 N/A TYR 307.A OH PHE 155.A O no hydrogen 3.373 N/A TYR 307.A OH GLU 315.A OE1 no hydrogen 2.634 N/A ALA 308.A N MET 304.A O no hydrogen 2.934 N/A ARG 309.A N GLU 305.A O no hydrogen 3.079 N/A ARG 309.A NE GLU 305.A OE1 no hydrogen 3.452 N/A ARG 309.A NE GLU 305.A OE2 no hydrogen 2.904 N/A ARG 309.A NH1 GLU 310.A OE2 no hydrogen 2.941 N/A ARG 309.A NH2 GLU 305.A OE1 no hydrogen 3.007 N/A GLU 310.A N GLU 306.A O no hydrogen 2.842 N/A VAL 311.A N TYR 307.A O no hydrogen 2.898 N/A PHE 312.A N TYR 307.A O no hydrogen 2.866 N/A GLU 315.A N VAL 311.A O no hydrogen 2.959 N/A GLU 316.A N PHE 312.A O no hydrogen 2.929 N/A GLU 317.A N PRO 313.A O no hydrogen 3.013 N/A ALA 318.A N ILE 314.A O no hydrogen 2.830 N/A ASN 319.A N GLU 315.A O no hydrogen 3.011 N/A ASN 319.A N GLU 316.A O no hydrogen 2.986 N/A GLY 320.A N GLU 317.A O no hydrogen 2.950 N/A LEU 321.A N GLU 316.A O no hydrogen 3.011 N/A TRP 323.A NE1 GLU 316.A OE1 no hydrogen 2.705 N/A LEU 325.A N ASP 322.A O no hydrogen 2.758 N/A