Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 8g2i_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): TYR 5.A OH GLU 118.A OE1 no hydrogen 2.570 N/A TYR 5.A OH GLU 118.A OE2 no hydrogen 3.406 N/A GLY 6.A N GLN 3.A O no hydrogen 3.052 N/A TYR 7.A N PHE 4.A O no hydrogen 3.459 N/A GLN 11.A N TYR 7.A O no hydrogen 3.102 N/A GLN 12.A N LEU 8.A O no hydrogen 2.733 N/A ASN 13.A N SER 9.A O no hydrogen 2.867 N/A MET 14.A N GLN 10.A O no hydrogen 2.965 N/A MET 15.A N GLN 11.A O no hydrogen 2.844 N/A GLN 16.A N GLN 12.A O no hydrogen 3.163 N/A ASP 17.A N MET 14.A O no hydrogen 3.118 N/A ARG 20.A N ASP 17.A OD1 no hydrogen 3.267 N/A ARG 20.A NE GLU 109.A OE1 no hydrogen 2.661 N/A ARG 20.A NH1 GLU 109.A OE1 no hydrogen 2.889 N/A ARG 20.A NH2 MET 14.A O no hydrogen 3.495 N/A THR 21.A N ASP 17.A O no hydrogen 3.131 N/A THR 21.A OG1 MET 15.A O no hydrogen 2.992 N/A THR 21.A OG1 ASP 17.A O no hydrogen 3.444 N/A GLY 22.A N TYR 18.A O no hydrogen 2.904 N/A THR 23.A N VAL 19.A O no hydrogen 2.756 N/A THR 23.A OG1 VAL 19.A O no hydrogen 2.527 N/A TYR 24.A N ARG 20.A O no hydrogen 3.178 N/A TYR 24.A OH SER 108.A O no hydrogen 2.655 N/A GLN 25.A N THR 21.A O no hydrogen 3.090 N/A GLN 25.A NE2 GLN 56.A OE1 no hydrogen 3.012 N/A ARG 26.A N GLY 22.A O no hydrogen 2.916 N/A ALA 27.A N THR 23.A O no hydrogen 2.931 N/A ILE 28.A N TYR 24.A O no hydrogen 3.156 N/A LEU 29.A N GLN 25.A O no hydrogen 2.910 N/A GLN 30.A N ARG 26.A O no hydrogen 2.948 N/A ASN 31.A ND2 ALA 27.A O no hydrogen 2.906 N/A ASN 31.A ND2 MET 252.A O no hydrogen 3.114 N/A HIS 32.A N LEU 29.A O no hydrogen 3.202 N/A THR 33.A OG1 ASP 34.A OD1 no hydrogen 3.565 N/A ASP 34.A N ASN 31.A O no hydrogen 2.959 N/A PHE 35.A N HIS 32.A O no hydrogen 2.834 N/A LYS 36.A N HIS 32.A O no hydrogen 2.938 N/A ASP 37.A N GLY 58.A O no hydrogen 3.019 N/A LYS 38.A N PHE 35.A O no hydrogen 2.922 N/A ILE 39.A N ASP 104.A OD2 no hydrogen 2.935 N/A VAL 40.A N LYS 61.A O no hydrogen 2.944 N/A LEU 41.A N ILE 105.A O no hydrogen 2.850 N/A ASP 42.A N TYR 63.A O no hydrogen 2.718 N/A VAL 43.A N ILE 107.A O no hydrogen 3.036 N/A CYS 45.A N VAL 65.A O no hydrogen 3.049 N/A CYS 45.A SG GLY 46.A O no hydrogen 3.576 N/A CYS 45.A SG VAL 65.A O no hydrogen 4.026 N/A GLY 46.A N GLU 66.A OE1 no hydrogen 2.873 N/A SER 47.A N GLN 11.A OE1 no hydrogen 3.173 N/A SER 47.A OG GLN 11.A OE1 no hydrogen 2.665 N/A GLY 48.A N CYS 45.A O no hydrogen 3.028 N/A SER 51.A OG ASP 42.A OD2 no hydrogen 2.751 N/A PHE 52.A N GLY 48.A O no hydrogen 3.180 N/A PHE 53.A N ILE 49.A O no hydrogen 2.971 N/A ALA 54.A N LEU 50.A O no hydrogen 2.804 N/A ALA 55.A N SER 51.A O no hydrogen 2.892 N/A GLN 56.A N PHE 52.A O no hydrogen 2.871 N/A ALA 57.A N PHE 53.A O no hydrogen 3.113 N/A ALA 57.A N ALA 54.A O no hydrogen 3.080 N/A GLY 58.A N ALA 55.A O no hydrogen 2.957 N/A ALA 59.A N ALA 54.A O no hydrogen 3.179 N/A ARG 60.A N LYS 38.A O no hydrogen 2.776 N/A ARG 60.A NE ASP 37.A OD1 no hydrogen 3.397 N/A LYS 61.A N LYS 38.A O no hydrogen 3.438 N/A ILE 62.A N ARG 86.A O no hydrogen 2.819 N/A TYR 63.A N VAL 40.A O no hydrogen 2.803 N/A TYR 63.A OH GLU 101.A OE2 no hydrogen 3.139 N/A ALA 64.A N VAL 88.A O no hydrogen 2.893 N/A VAL 65.A N ASP 42.A O no hydrogen 2.931 N/A GLU 66.A N ILE 90.A O no hydrogen 3.362 N/A SER 68.A N GLU 66.A OE2 no hydrogen 2.943 N/A SER 68.A OG GLU 66.A OE2 no hydrogen 2.651 N/A MET 70.A N SER 68.A OG no hydrogen 3.086 N/A ALA 71.A N SER 68.A O no hydrogen 3.051 N/A GLN 72.A N THR 69.A O no hydrogen 3.134 N/A ALA 74.A N MET 70.A O no hydrogen 2.892 N/A GLU 75.A N ALA 71.A O no hydrogen 3.052 N/A VAL 76.A N GLN 72.A O no hydrogen 3.167 N/A LEU 77.A N HIS 73.A O no hydrogen 3.040 N/A VAL 78.A N ALA 74.A O no hydrogen 2.872 N/A LYS 79.A N GLU 75.A O no hydrogen 2.938 N/A SER 80.A N VAL 76.A O no hydrogen 3.015 N/A SER 80.A OG VAL 76.A O no hydrogen 3.288 N/A SER 80.A OG LEU 77.A O no hydrogen 3.350 N/A ASN 81.A N LEU 77.A O no hydrogen 2.875 N/A ASN 81.A N VAL 78.A O no hydrogen 3.252 N/A ASN 81.A ND2 LEU 77.A O no hydrogen 2.715 N/A ASN 82.A N LYS 79.A O no hydrogen 3.032 N/A LEU 83.A N VAL 78.A O no hydrogen 3.146 N/A ARG 86.A N LEU 83.A O no hydrogen 2.877 N/A ARG 86.A NE ALA 59.A O no hydrogen 3.222 N/A ARG 86.A NH2 ALA 55.A O no hydrogen 2.966 N/A ARG 86.A NH2 ALA 59.A O no hydrogen 2.799 N/A ILE 87.A N LEU 83.A O no hydrogen 2.829 N/A VAL 88.A N ILE 62.A O no hydrogen 2.779 N/A ILE 90.A N ALA 64.A O no hydrogen 2.721 N/A GLY 92.A N GLU 66.A O no hydrogen 2.921 N/A GLU 95.A N GLU 95.A OE1 no hydrogen 3.019 N/A GLU 96.A N LYS 93.A O no hydrogen 3.077 N/A VAL 97.A N LYS 93.A O no hydrogen 3.274 N/A GLN 102.A NE2 LYS 129.A O no hydrogen 3.060 N/A VAL 103.A N TYR 130.A O no hydrogen 2.755 N/A ASP 104.A N ILE 39.A O no hydrogen 3.006 N/A ILE 106.A N ASN 136.A O no hydrogen 3.206 N/A ILE 107.A N LEU 41.A O no hydrogen 2.792 N/A SER 108.A N PHE 138.A O no hydrogen 3.106 N/A SER 108.A OG VAL 43.A O no hydrogen 2.634 N/A MET 111.A N GLU 109.A OE2 no hydrogen 2.894 N/A GLY 112.A N LEU 115.A O no hydrogen 3.084 N/A PHE 116.A N MET 114.A O no hydrogen 2.844 N/A ASN 117.A N TYR 113.A O no hydrogen 3.295 N/A ARG 119.A N PHE 116.A O no hydrogen 2.821 N/A ARG 119.A NE GLU 122.A OE2 no hydrogen 2.775 N/A ARG 119.A NH1 ASN 295.A O no hydrogen 2.684 N/A ARG 119.A NH2 GLU 122.A OE1 no hydrogen 2.890 N/A ARG 119.A NH2 GLU 122.A OE2 no hydrogen 3.273 N/A SER 123.A N MET 120.A O no hydrogen 2.980 N/A SER 123.A OG GLU 95.A OE2 no hydrogen 2.534 N/A TYR 124.A N MET 120.A O no hydrogen 3.108 N/A TYR 124.A OH PRO 139.A O no hydrogen 2.590 N/A LEU 125.A N LEU 121.A O no hydrogen 2.980 N/A HIS 126.A N GLU 122.A O no hydrogen 2.999 N/A HIS 126.A ND1 GLU 216.A OE1 no hydrogen 2.852 N/A ALA 127.A N TYR 124.A O no hydrogen 3.335 N/A LYS 128.A N LEU 125.A O no hydrogen 2.928 N/A LYS 128.A NZ PHE 211.A O no hydrogen 2.720 N/A LYS 128.A NZ LEU 212.A O no hydrogen 2.964 N/A LYS 128.A NZ ALA 214.A O no hydrogen 2.539 N/A LYS 129.A NZ HIS 126.A NE2 no hydrogen 3.196 N/A TYR 130.A N ALA 127.A O no hydrogen 2.797 N/A LEU 131.A N LYS 128.A O no hydrogen 2.916 N/A LYS 132.A N VAL 103.A O no hydrogen 3.139 N/A LYS 132.A NZ ASP 104.A OD1 no hydrogen 3.170 N/A GLY 135.A N LYS 132.A O no hydrogen 2.780 N/A ASN 136.A N ASP 104.A O no hydrogen 3.164 N/A ASN 136.A ND2 ILE 248.A O no hydrogen 2.777 N/A MET 137.A N.A ASN 136.A OD1 no hydrogen 2.901 N/A MET 137.A N.B ASN 136.A OD1 no hydrogen 2.864 N/A PHE 138.A N ILE 106.A O no hydrogen 2.868 N/A THR 140.A N ALA 246.A O no hydrogen 2.741 N/A THR 140.A OG1 MET 137.A O.A no hydrogen 2.658 N/A THR 140.A OG1 MET 137.A O.B no hydrogen 2.592 N/A ILE 141.A N ALA 246.A O no hydrogen 3.404 N/A GLY 142.A N VAL 209.A O no hydrogen 2.971 N/A ASP 143.A N ASP 244.A O no hydrogen 2.827 N/A VAL 144.A N TYR 207.A O no hydrogen 2.914 N/A HIS 145.A N TRP 242.A O no hydrogen 2.847 N/A HIS 145.A ND1 SER 204.A OG no hydrogen 2.936 N/A LEU 146.A N VAL 205.A O no hydrogen 3.019 N/A ALA 147.A N ALA 240.A O no hydrogen 2.897 N/A PHE 149.A N GLY 238.A O no hydrogen 2.912 N/A THR 150.A N ILE 199.A O no hydrogen 3.107 N/A THR 150.A OG1 LEU 235.A O no hydrogen 2.727 N/A ASP 151.A N HIS 237.A ND1 no hydrogen 2.934 N/A LEU 154.A N ASP 151.A O no hydrogen 3.242 N/A LEU 154.A N ASP 151.A OD1 no hydrogen 3.234 N/A TYR 155.A N ASP 151.A O no hydrogen 3.136 N/A MET 156.A N GLU 152.A O no hydrogen 2.974 N/A GLU 157.A N GLN 153.A O no hydrogen 3.165 N/A GLN 158.A N TYR 155.A O no hydrogen 3.208 N/A GLN 158.A NE2 LEU 154.A O no hydrogen 2.868 N/A THR 160.A N MET 156.A O no hydrogen 2.989 N/A THR 160.A OG1 MET 156.A O no hydrogen 3.175 N/A LYS 161.A N GLU 157.A O no hydrogen 2.910 N/A LYS 161.A NZ GLN 158.A OE1 no hydrogen 3.335 N/A ALA 162.A N PHE 159.A O no hydrogen 2.965 N/A ASN 163.A N.A THR 160.A O no hydrogen 3.167 N/A ASN 163.A N.B THR 160.A O no hydrogen 3.172 N/A TRP 165.A N ALA 162.A O no hydrogen 3.085 N/A TYR 166.A N ASN 163.A O.A no hydrogen 3.313 N/A TYR 166.A N ASN 163.A O.B no hydrogen 2.800 N/A GLN 167.A NE2 PHE 164.A O no hydrogen 2.516 N/A PHE 170.A N VAL 173.A O no hydrogen 2.678 N/A GLY 172.A N SER 169.A OG no hydrogen 3.288 N/A VAL 173.A N PHE 170.A O no hydrogen 2.879 N/A LEU 175.A N GLN 167.A O no hydrogen 2.779 N/A SER 176.A N ASP 174.A OD1 no hydrogen 3.002 N/A SER 176.A OG ASP 174.A OD1 no hydrogen 2.487 N/A SER 176.A OG ASP 174.A OD2 no hydrogen 3.509 N/A LEU 178.A N LEU 175.A O no hydrogen 2.881 N/A ARG 179.A N SER 176.A O no hydrogen 2.993 N/A ARG 179.A NE ASN 163.A OD1.B no hydrogen 2.742 N/A ARG 179.A NH2 ASN 163.A OD1.B no hydrogen 3.375 N/A ALA 182.A N LEU 178.A O no hydrogen 3.094 N/A VAL 183.A N ARG 179.A O no hydrogen 2.953 N/A ASP 184.A N GLY 180.A O no hydrogen 3.041 N/A GLU 185.A N ALA 181.A O no hydrogen 3.027 N/A TYR 186.A N ALA 182.A O no hydrogen 3.017 N/A PHE 187.A N VAL 183.A O no hydrogen 3.036 N/A ARG 188.A N GLU 185.A O no hydrogen 3.171 N/A ARG 188.A NE ASP 184.A OD2 no hydrogen 2.842 N/A ARG 188.A NH1 LEU 318.A O no hydrogen 2.907 N/A ARG 188.A NH2 ASP 184.A OD1 no hydrogen 3.296 N/A GLN 189.A N TYR 186.A O no hydrogen 3.060 N/A GLN 189.A NE2 ASN 323.A O no hydrogen 3.060 N/A GLN 189.A NE2 ASN 323.A OD1 no hydrogen 3.301 N/A GLN 189.A NE2 PRO 324.A O no hydrogen 3.467 N/A VAL 191.A N ARG 271.A O no hydrogen 2.648 N/A VAL 192.A N PHE 325.A O no hydrogen 2.941 N/A ASP 193.A N GLN 269.A O no hydrogen 3.127 N/A THR 194.A OG1 GLN 269.A OE1 no hydrogen 2.677 N/A ARG 198.A N ASP 196.A OD1 no hydrogen 2.816 N/A ILE 199.A N ASP 196.A O no hydrogen 3.269 N/A LEU 200.A N ILE 197.A O no hydrogen 3.062 N/A MET 201.A N PRO 148.A O no hydrogen 3.080 N/A SER 204.A OG HIS 145.A ND1 no hydrogen 2.936 N/A VAL 205.A N LEU 146.A O no hydrogen 3.026 N/A TYR 207.A N VAL 144.A O no hydrogen 2.858 N/A THR 208.A OG1 ASP 143.A OD1 no hydrogen 2.617 N/A VAL 209.A N GLY 142.A O no hydrogen 2.805 N/A PHE 211.A N THR 140.A O no hydrogen 2.825 N/A LEU 212.A N ASN 210.A OD1 no hydrogen 3.127 N/A GLU 213.A N ASN 210.A O no hydrogen 3.050 N/A ALA 214.A N ASN 210.A O no hydrogen 2.884 N/A LYS 215.A N ASP 218.A OD2 no hydrogen 3.277 N/A ASP 218.A N LYS 215.A O no hydrogen 2.919 N/A LEU 219.A N GLU 216.A O no hydrogen 3.299 N/A HIS 220.A N GLY 217.A O no hydrogen 3.354 N/A ILE 222.A N LEU 292.A O no hydrogen 2.821 N/A ILE 224.A N CYS 290.A O no hydrogen 2.770 N/A PHE 226.A N GLY 288.A O no hydrogen 2.868 N/A PHE 228.A N LEU 286.A O no hydrogen 2.742 N/A MET 230.A N ASP 284.A O no hydrogen 3.033 N/A LEU 231.A N MET 201.A O no hydrogen 2.830 N/A GLY 234.A N ALA 280.A O no hydrogen 2.880 N/A VAL 236.A N LEU 278.A O no hydrogen 2.752 N/A HIS 237.A N PHE 149.A O no hydrogen 2.865 N/A LEU 239.A N CYS 272.A O no hydrogen 3.137 N/A ALA 240.A N ALA 147.A O no hydrogen 2.741 N/A PHE 241.A N VAL 270.A O no hydrogen 2.782 N/A TRP 242.A N HIS 145.A O no hydrogen 3.021 N/A PHE 243.A N THR 258.A OG1 no hydrogen 3.031 N/A ASP 244.A N ASP 143.A O no hydrogen 2.816 N/A VAL 245.A N LEU 256.A O no hydrogen 2.963 N/A ALA 246.A N ILE 141.A O no hydrogen 3.020 N/A PHE 247.A N VAL 254.A O no hydrogen 2.732 N/A ILE 248.A N THR 140.A OG1 no hydrogen 2.899 N/A GLY 249.A N MET 252.A O no hydrogen 2.832 N/A SER 250.A N ASP 34.A OD2 no hydrogen 2.710 N/A SER 250.A OG ASP 34.A OD1 no hydrogen 2.495 N/A SER 250.A OG ASP 34.A OD2 no hydrogen 3.094 N/A ILE 251.A N ASN 31.A OD1 no hydrogen 2.961 N/A MET 252.A N ASN 31.A OD1 no hydrogen 2.841 N/A VAL 254.A N PHE 247.A O no hydrogen 2.842 N/A LEU 256.A N VAL 245.A O no hydrogen 2.891 N/A SER 257.A OG ASP 244.A OD1 no hydrogen 2.505 N/A THR 258.A N PHE 243.A O no hydrogen 2.960 N/A THR 258.A OG1 PHE 243.A O no hydrogen 2.669 N/A ALA 259.A N SER 257.A OG no hydrogen 3.241 N/A GLU 262.A N ALA 259.A O no hydrogen 2.967 N/A HIS 266.A N ASP 17.A OD2 no hydrogen 3.049 N/A TRP 267.A N THR 265.A OG1 no hydrogen 3.001 N/A TRP 267.A NE1 MET 111.A O no hydrogen 2.804 N/A TYR 268.A N THR 265.A O no hydrogen 2.972 N/A GLN 269.A NE2 THR 258.A O no hydrogen 2.869 N/A VAL 270.A N PHE 241.A O no hydrogen 2.976 N/A ARG 271.A N VAL 191.A O no hydrogen 2.866 N/A ARG 271.A NH1 ASP 151.A OD2 no hydrogen 2.862 N/A ARG 271.A NH2 ASP 193.A OD1 no hydrogen 3.143 N/A CYS 272.A N LEU 239.A O no hydrogen 3.021 N/A PHE 274.A N HIS 237.A O no hydrogen 2.857 N/A GLN 275.A N SER 316.A O no hydrogen 3.063 N/A GLN 275.A NE2 ASN 317.A OD1 no hydrogen 2.862 N/A LEU 278.A N VAL 236.A O no hydrogen 3.075 N/A ALA 280.A N GLY 234.A O no hydrogen 2.959 N/A LYS 281.A N ASP 284.A OD2 no hydrogen 2.936 N/A ALA 282.A N SER 233.A OG no hydrogen 2.993 N/A GLY 283.A N MET 230.A O no hydrogen 2.915 N/A ASP 284.A N LYS 281.A O no hydrogen 2.876 N/A THR 285.A N GLN 310.A OE1 no hydrogen 2.816 N/A THR 285.A OG1 ASP 309.A OD2 no hydrogen 2.433 N/A LEU 286.A N PHE 228.A O no hydrogen 2.918 N/A SER 287.A N GLN 307.A O no hydrogen 2.906 N/A SER 287.A OG ASP 309.A OD1 no hydrogen 2.764 N/A SER 287.A OG ASP 309.A OD2 no hydrogen 3.177 N/A GLY 288.A N PHE 226.A O no hydrogen 3.043 N/A THR 289.A N VAL 305.A O no hydrogen 2.966 N/A CYS 290.A N ILE 224.A O no hydrogen 2.869 N/A LEU 291.A N SER 303.A O no hydrogen 2.841 N/A LEU 292.A N ILE 222.A O no hydrogen 2.809 N/A ILE 293.A N ASP 301.A O no hydrogen 2.895 N/A ALA 294.A N HIS 220.A O no hydrogen 2.851 N/A ASN 295.A N SER 299.A O no hydrogen 2.868 N/A GLN 298.A N ASN 295.A O no hydrogen 3.266 N/A SER 299.A N ASN 295.A OD1 no hydrogen 2.909 N/A SER 299.A OG ASN 117.A OD1 no hydrogen 2.764 N/A TYR 300.A N SER 299.A OG no hydrogen 2.613 N/A TYR 300.A OH LEU 219.A O no hydrogen 2.603 N/A ASP 301.A N ILE 293.A O no hydrogen 2.726 N/A ILE 302.A N LEU 319.A O no hydrogen 2.945 N/A SER 303.A N LEU 291.A O no hydrogen 2.885 N/A ILE 304.A N ASN 317.A O no hydrogen 2.933 N/A VAL 305.A N THR 289.A O no hydrogen 2.980 N/A ALA 306.A N SER 315.A O no hydrogen 3.076 N/A GLN 307.A N SER 287.A O no hydrogen 2.741 N/A VAL 308.A N SER 313.A O no hydrogen 3.053 N/A ASP 309.A N THR 285.A O no hydrogen 3.043 N/A THR 311.A N VAL 308.A O no hydrogen 3.329 N/A GLY 312.A N VAL 308.A O no hydrogen 2.845 N/A SER 313.A N THR 311.A OG1 no hydrogen 2.938 N/A SER 315.A N ALA 306.A O no hydrogen 2.973 N/A SER 315.A OG SER 276.A O no hydrogen 2.655 N/A ASN 317.A N ILE 304.A O no hydrogen 2.977 N/A ASN 317.A ND2 PHE 187.A O no hydrogen 2.824 N/A ASN 317.A ND2 LEU 273.A O no hydrogen 2.853 N/A LEU 318.A N ASN 317.A OD1 no hydrogen 2.900 N/A LEU 319.A N ILE 302.A O no hydrogen 2.814 N/A ASP 320.A N ARG 188.A O no hydrogen 3.093 N/A LEU 321.A N TYR 300.A O no hydrogen 3.204 N/A LYS 322.A N ASP 320.A OD1 no hydrogen 3.236 N/A ASN 323.A N ASP 320.A O no hydrogen 3.114 N/A PHE 325.A N PRO 190.A O no hydrogen 2.899 N/A ARG 327.A N VAL 192.A O no hydrogen 3.117 N/A ARG 327.A NE GLU 157.A OE1 no hydrogen 3.190 N/A ARG 327.A NE GLU 157.A OE2 no hydrogen 3.232 N/A ARG 327.A NH1 GLU 157.A OE2 no hydrogen 2.840 N/A ARG 327.A NH2 ASP 193.A OD2 no hydrogen 3.315 N/A