Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3gvq_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): LYS 5.A N GLY 137.A O no hydrogen 2.605 N/A ASN 6.A N ARG 138.A O no hydrogen 3.294 N/A ASN 6.A ND2 TYR 20.A OH no hydrogen 2.879 N/A ASN 6.A ND2 ASP 69.A OD1 no hydrogen 3.307 N/A THR 8.A N ASN 6.A OD1 no hydrogen 2.958 N/A THR 8.A OG1 ASN 6.A OD1 no hydrogen 2.801 N/A THR 8.A OG1 TYR 20.A OH no hydrogen 3.295 N/A ARG 11.A N ASP 7.A O no hydrogen 3.012 N/A ARG 11.A NH1 GLU 16.A OE2 no hydrogen 3.491 N/A ALA 12.A N THR 8.A O no hydrogen 2.886 N/A ALA 13.A N PHE 9.A O no hydrogen 2.978 N/A TRP 14.A N LEU 10.A O no hydrogen 2.971 N/A GLY 15.A N ALA 12.A O no hydrogen 3.099 N/A GLU 16.A N ARG 11.A O no hydrogen 2.887 N/A THR 18.A OG1 TYR 20.A O no hydrogen 2.853 N/A TYR 20.A OH THR 8.A OG1 no hydrogen 3.295 N/A TYR 20.A OH ASP 69.A OD1 no hydrogen 2.569 N/A THR 21.A N SER 351.A OG no hydrogen 3.049 N/A VAL 23.A N ASP 69.A OD2 no hydrogen 2.968 N/A TRP 24.A N ALA 325.A O no hydrogen 3.242 N/A TRP 24.A NE1 GLN 292.A OE1 no hydrogen 2.830 N/A CYS 25.A N GLN 28.A OE1 no hydrogen 2.821 N/A MET 26.A N ASN 326.A OD1 no hydrogen 3.034 N/A GLN 28.A N CYS 25.A O no hydrogen 2.941 N/A GLN 28.A NE2 ALA 70.A O no hydrogen 2.992 N/A TYR 32.A OH GLN 28.A O no hydrogen 2.777 N/A LEU 33.A N GLY 30.A O no hydrogen 2.951 N/A GLU 35.A N GLU 35.A OE1 no hydrogen 2.793 N/A PHE 36.A N LEU 33.A O no hydrogen 2.989 N/A ARG 37.A N LEU 33.A O no hydrogen 3.270 N/A ARG 37.A NE ARG 31.A O no hydrogen 2.599 N/A ARG 37.A NH2 ARG 31.A O no hydrogen 3.107 N/A GLU 38.A N PRO 34.A O no hydrogen 2.985 N/A THR 39.A N GLU 35.A O no hydrogen 3.237 N/A ARG 40.A N PHE 36.A O no hydrogen 3.066 N/A ALA 41.A N ARG 37.A O no hydrogen 2.853 N/A GLN 43.A N ARG 40.A O no hydrogen 3.183 N/A THR 48.A N ASP 44.A O no hydrogen 2.951 N/A THR 48.A OG1 GLN 43.A OE1 no hydrogen 3.216 N/A THR 48.A OG1 ASP 44.A O no hydrogen 2.968 N/A CYS 49.A N PHE 45.A O no hydrogen 3.455 N/A CYS 49.A SG PHE 45.A O no hydrogen 3.637 N/A ARG 50.A N SER 47.A O no hydrogen 3.116 N/A SER 51.A N THR 48.A O no hydrogen 3.039 N/A ALA 54.A N SER 51.A OG no hydrogen 3.152 N/A CYS 55.A N SER 51.A O no hydrogen 2.924 N/A CYS 55.A SG THR 48.A O no hydrogen 3.275 N/A CYS 55.A SG CYS 49.A O no hydrogen 3.121 N/A CYS 55.A SG SER 51.A O no hydrogen 3.574 N/A CYS 55.A SG PHE 74.A O no hydrogen 3.752 N/A CYS 56.A N PRO 52.A O no hydrogen 2.903 N/A GLU 57.A N GLU 53.A O no hydrogen 3.012 N/A LEU 58.A N ALA 54.A O no hydrogen 3.055 N/A THR 59.A N CYS 55.A O no hydrogen 2.977 N/A THR 59.A OG1 CYS 55.A O no hydrogen 2.704 N/A LEU 60.A N CYS 56.A O no hydrogen 3.006 N/A GLN 61.A N GLU 57.A O no hydrogen 2.968 N/A GLN 61.A NE2 GLU 35.A O no hydrogen 3.157 N/A GLN 61.A NE2 GLU 57.A OE1 no hydrogen 3.491 N/A ARG 64.A N LEU 60.A O no hydrogen 3.287 N/A ARG 64.A N GLN 61.A O no hydrogen 3.009 N/A ARG 64.A NH1 GLU 57.A OE1 no hydrogen 2.731 N/A ARG 64.A NH1 GLU 57.A OE2 no hydrogen 3.391 N/A ARG 64.A NH2 GLU 57.A OE2 no hydrogen 3.056 N/A ARG 65.A N PRO 62.A O no hydrogen 3.078 N/A ARG 65.A NE GLU 35.A OE2 no hydrogen 2.890 N/A ARG 65.A NH2 GLU 35.A OE1 no hydrogen 2.733 N/A ARG 65.A NH2 GLU 35.A OE2 no hydrogen 3.468 N/A PHE 66.A N PRO 62.A O no hydrogen 2.873 N/A ASP 69.A N VAL 23.A O no hydrogen 2.885 N/A ALA 71.A N PRO 140.A O no hydrogen 2.986 N/A ILE 73.A N ILE 142.A O no hydrogen 2.981 N/A PHE 74.A N THR 59.A OG1 no hydrogen 2.996 N/A LEU 78.A N ASP 76.A OD2 no hydrogen 2.858 N/A VAL 79.A N ASP 76.A O no hydrogen 3.187 N/A VAL 80.A N ILE 77.A O no hydrogen 3.517 N/A GLN 82.A N LEU 78.A O no hydrogen 3.159 N/A ALA 83.A N VAL 79.A O no hydrogen 2.876 N/A LEU 84.A N VAL 80.A O no hydrogen 2.826 N/A GLY 85.A N GLN 82.A O no hydrogen 2.840 N/A MET 86.A N PRO 81.A O no hydrogen 3.054 N/A THR 89.A N SER 97.A O no hydrogen 2.979 N/A LYS 94.A N VAL 91.A O no hydrogen 2.889 N/A LYS 94.A NZ PRO 92.A O no hydrogen 2.868 N/A PHE 98.A N GLY 158.A O no hydrogen 2.720 N/A LEU 102.A N MET 155.A O no hydrogen 2.790 N/A ARG 103.A N ASP 107.A OD2 no hydrogen 2.763 N/A ARG 103.A NE VAL 156.A O no hydrogen 2.891 N/A ARG 103.A NH2 VAL 156.A O no hydrogen 3.325 N/A ARG 103.A NH2 GLU 157.A O no hydrogen 3.532 N/A GLU 104.A N ASP 107.A OD2 no hydrogen 2.964 N/A ASP 107.A N GLU 104.A O no hydrogen 2.988 N/A LEU 108.A N GLU 105.A O no hydrogen 3.185 N/A GLU 109.A N GLN 106.A O no hydrogen 3.114 N/A ARG 110.A N ASP 107.A O no hydrogen 3.073 N/A ARG 110.A NH1 GLU 100.A O no hydrogen 2.801 N/A ARG 110.A NH2 GLU 100.A O no hydrogen 3.175 N/A ARG 110.A NH2 PRO 101.A O no hydrogen 3.370 N/A LEU 111.A N LEU 108.A O no hydrogen 3.223 N/A ARG 112.A N LEU 84.A O no hydrogen 2.708 N/A ARG 112.A NH1 ALA 83.A O no hydrogen 2.779 N/A GLU 115.A N ASP 113.A OD1 no hydrogen 2.767 N/A VAL 116.A N ASP 113.A O no hydrogen 3.093 N/A VAL 117.A N PRO 114.A O no hydrogen 3.185 N/A SER 119.A OG VAL 116.A O no hydrogen 2.652 N/A GLU 120.A N VAL 116.A O no hydrogen 3.335 N/A LEU 121.A N ALA 118.A O no hydrogen 3.026 N/A VAL 124.A N LEU 121.A O no hydrogen 2.876 N/A PHE 125.A N LEU 121.A O no hydrogen 3.460 N/A GLN 126.A N GLY 122.A O no hydrogen 2.986 N/A ALA 127.A N TYR 123.A O no hydrogen 3.075 N/A ILE 128.A N VAL 124.A O no hydrogen 2.875 N/A THR 129.A N PHE 125.A O no hydrogen 2.902 N/A THR 129.A OG1 PHE 125.A O no hydrogen 3.343 N/A THR 129.A OG1 ALA 199.A O no hydrogen 2.759 N/A LEU 130.A N GLN 126.A O no hydrogen 3.023 N/A THR 131.A N ALA 127.A O no hydrogen 2.852 N/A THR 131.A OG1 ALA 127.A O no hydrogen 2.641 N/A ARG 132.A N ILE 128.A O no hydrogen 2.879 N/A ARG 132.A NH1 GLY 200.A O no hydrogen 2.907 N/A GLN 133.A N THR 129.A O no hydrogen 2.962 N/A ARG 134.A N LEU 130.A O no hydrogen 2.895 N/A ARG 134.A NH1 GLU 53.A OE1 no hydrogen 3.020 N/A ARG 134.A NH2 GLU 53.A OE2 no hydrogen 2.837 N/A LEU 135.A N THR 131.A O no hydrogen 2.854 N/A ALA 136.A N GLN 133.A O no hydrogen 3.096 N/A ARG 138.A N LEU 135.A O no hydrogen 3.007 N/A LEU 141.A N GLN 202.A OE1 no hydrogen 2.920 N/A ILE 142.A N ALA 71.A O no hydrogen 2.685 N/A GLY 143.A N ALA 203.A O no hydrogen 2.864 N/A PHE 144.A N GLN 196.A OE1 no hydrogen 3.072 N/A ALA 145.A N GLN 205.A O no hydrogen 3.139 N/A ALA 147.A N PHE 207.A O no hydrogen 2.891 N/A TRP 149.A NE1 HIS 210.A O no hydrogen 2.791 N/A THR 150.A N GLU 208.A OE1 no hydrogen 2.912 N/A THR 150.A OG1 GLU 208.A OE1 no hydrogen 2.739 N/A LEU 151.A N ALA 147.A O no hydrogen 2.904 N/A MET 152.A N PRO 148.A O no hydrogen 2.814 N/A THR 153.A N TRP 149.A O no hydrogen 2.943 N/A THR 153.A OG1 THR 150.A O no hydrogen 2.689 N/A THR 153.A OG1 HIS 210.A ND1 no hydrogen 2.618 N/A TYR 154.A N THR 150.A O no hydrogen 3.319 N/A MET 155.A N LEU 151.A O no hydrogen 2.960 N/A VAL 156.A N MET 152.A O no hydrogen 2.971 N/A GLU 157.A N THR 153.A O no hydrogen 2.762 N/A GLY 158.A N TYR 154.A O no hydrogen 2.890 N/A THR 163.A N SER 161.A OG no hydrogen 3.270 N/A MET 164.A N SER 161.A OG no hydrogen 3.033 N/A ALA 165.A N THR 163.A OG1 no hydrogen 3.299 N/A ALA 167.A N GLU 157.A OE2 no hydrogen 2.755 N/A LYS 168.A N MET 164.A O no hydrogen 2.720 N/A LYS 168.A NZ HIS 213.A O no hydrogen 2.780 N/A ARG 169.A N ALA 165.A O no hydrogen 2.867 N/A ARG 169.A NE GLN 173.A OE1 no hydrogen 2.980 N/A TRP 170.A N GLN 166.A O no hydrogen 3.059 N/A LEU 171.A N ALA 167.A O no hydrogen 3.220 N/A TYR 172.A N LYS 168.A O no hydrogen 2.990 N/A GLN 173.A N ARG 169.A O no hydrogen 2.714 N/A ARG 174.A N TRP 170.A O no hydrogen 2.657 N/A SER 178.A N ARG 174.A O no hydrogen 2.896 N/A SER 178.A OG ARG 174.A O no hydrogen 2.827 N/A HIS 179.A N PRO 175.A O no hydrogen 2.969 N/A HIS 179.A ND1 TYR 226.A OH no hydrogen 2.792 N/A GLN 180.A N GLN 176.A O no hydrogen 2.957 N/A LEU 181.A N ALA 177.A O no hydrogen 2.878 N/A LEU 182.A N SER 178.A O no hydrogen 2.860 N/A ARG 183.A N HIS 179.A O no hydrogen 2.910 N/A ARG 183.A NH1 ASP 229.A OD1 no hydrogen 2.586 N/A ARG 183.A NH2 ASP 229.A OD1 no hydrogen 3.170 N/A ILE 184.A N GLN 180.A O no hydrogen 2.922 N/A LEU 185.A N LEU 181.A O no hydrogen 2.953 N/A THR 186.A N LEU 182.A O no hydrogen 2.938 N/A THR 186.A OG1 LEU 182.A O no hydrogen 2.676 N/A ASP 187.A N ARG 183.A O no hydrogen 2.801 N/A ALA 188.A N ILE 184.A O no hydrogen 2.980 N/A ALA 188.A N LEU 185.A O no hydrogen 3.179 N/A LEU 189.A N LEU 185.A O no hydrogen 2.769 N/A VAL 190.A N THR 186.A O no hydrogen 2.987 N/A TYR 192.A N ALA 188.A O no hydrogen 3.340 N/A LEU 193.A N LEU 189.A O no hydrogen 2.839 N/A VAL 194.A N VAL 190.A O no hydrogen 2.974 N/A GLY 195.A N PRO 191.A O no hydrogen 2.874 N/A GLN 196.A N TYR 192.A O no hydrogen 2.976 N/A GLN 196.A NE2 PHE 144.A O no hydrogen 3.013 N/A VAL 197.A N LEU 193.A O no hydrogen 3.175 N/A VAL 198.A N VAL 194.A O no hydrogen 2.769 N/A ALA 199.A N GLY 195.A O no hydrogen 2.875 N/A GLY 200.A N VAL 197.A O no hydrogen 2.913 N/A ALA 201.A N GLN 196.A O no hydrogen 2.761 N/A GLN 202.A N LEU 141.A O no hydrogen 2.733 N/A LEU 204.A N PRO 247.A O no hydrogen 2.946 N/A GLN 205.A N GLY 143.A O no hydrogen 2.911 N/A LEU 206.A N ILE 249.A O no hydrogen 2.674 N/A PHE 207.A N ALA 145.A O no hydrogen 2.967 N/A GLU 208.A N PHE 251.A O no hydrogen 2.725 N/A HIS 210.A N THR 150.A OG1 no hydrogen 2.963 N/A HIS 210.A ND1 THR 153.A OG1 no hydrogen 2.618 N/A LEU 214.A N ALA 211.A O no hydrogen 3.039 N/A PHE 219.A N GLY 215.A O no hydrogen 3.034 N/A ASN 220.A N PRO 216.A O no hydrogen 2.975 N/A LYS 221.A N GLN 217.A O no hydrogen 3.214 N/A PHE 222.A N LEU 218.A O no hydrogen 2.938 N/A ALA 223.A N PHE 219.A O no hydrogen 2.810 N/A LEU 224.A N PHE 219.A O no hydrogen 2.751 N/A TYR 226.A OH HIS 179.A ND1 no hydrogen 2.792 N/A ILE 227.A N ALA 223.A O no hydrogen 3.116 N/A ARG 228.A N LEU 224.A O no hydrogen 2.907 N/A ASP 229.A N PRO 225.A O no hydrogen 2.893 N/A VAL 230.A N TYR 226.A O no hydrogen 2.965 N/A ALA 231.A N ILE 227.A O no hydrogen 3.463 N/A LYS 232.A N ARG 228.A O no hydrogen 3.084 N/A GLN 233.A N ASP 229.A O no hydrogen 2.894 N/A VAL 234.A N VAL 230.A O no hydrogen 2.976 N/A LYS 235.A N ALA 231.A O no hydrogen 3.017 N/A LYS 235.A NZ GLY 266.A O no hydrogen 2.810 N/A ALA 236.A N LYS 232.A O no hydrogen 3.031 N/A ARG 237.A N GLN 233.A O no hydrogen 2.999 N/A LEU 238.A N VAL 234.A O no hydrogen 2.951 N/A ARG 239.A N LYS 235.A O no hydrogen 3.068 N/A GLU 240.A N ALA 236.A O no hydrogen 3.011 N/A ALA 241.A N ARG 237.A O no hydrogen 3.007 N/A GLY 242.A N ARG 239.A O no hydrogen 2.794 N/A LEU 243.A N LEU 238.A O no hydrogen 2.926 N/A MET 248.A N GLU 268.A OE2 no hydrogen 2.895 N/A ILE 249.A N LEU 204.A O no hydrogen 2.763 N/A ILE 250.A N VAL 269.A O no hydrogen 3.058 N/A PHE 251.A N LEU 206.A O no hydrogen 2.926 N/A LYS 253.A N GLU 208.A O no hydrogen 3.201 N/A LYS 253.A NZ ASP 254.A OD2 no hydrogen 3.368 N/A ASP 254.A N ASP 273.A OD2 no hydrogen 2.648 N/A ALA 258.A N GLY 255.A O no hydrogen 2.853 N/A LEU 262.A N ALA 258.A O no hydrogen 2.815 N/A ALA 263.A N LEU 259.A O no hydrogen 2.994 N/A GLN 264.A N GLU 261.A O no hydrogen 2.784 N/A ALA 265.A N LEU 262.A O no hydrogen 3.233 N/A TYR 267.A OH ILE 227.A O no hydrogen 2.631 N/A VAL 269.A N MET 248.A O no hydrogen 3.105 N/A VAL 270.A N THR 290.A O no hydrogen 2.947 N/A GLY 271.A N ILE 250.A O no hydrogen 2.762 N/A LEU 272.A N GLN 292.A O no hydrogen 2.804 N/A THR 275.A N ASP 273.A OD1 no hydrogen 2.681 N/A THR 275.A OG1 ASP 273.A OD1 no hydrogen 2.510 N/A ALA 281.A N ALA 277.A O no hydrogen 2.853 N/A ARG 282.A N PRO 278.A O no hydrogen 2.883 N/A ARG 282.A NH1 ARG 322.A O no hydrogen 3.015 N/A ARG 282.A NH2 PHE 318.A O no hydrogen 3.065 N/A ARG 282.A NH2 ARG 322.A O no hydrogen 3.259 N/A GLU 283.A N LYS 279.A O no hydrogen 3.140 N/A CYS 284.A N LYS 280.A O no hydrogen 3.006 N/A CYS 284.A SG LYS 280.A O no hydrogen 3.333 N/A VAL 285.A N ALA 281.A O no hydrogen 2.949 N/A GLY 286.A N ARG 282.A O no hydrogen 2.960 N/A THR 290.A N GLU 268.A O no hydrogen 2.908 N/A THR 290.A OG1 ALA 12.A O no hydrogen 2.686 N/A LEU 291.A N ARG 322.A O no hydrogen 3.008 N/A GLN 292.A N VAL 270.A O no hydrogen 3.074 N/A GLN 292.A NE2 GLN 205.A OE1 no hydrogen 2.963 N/A GLY 293.A N ILE 324.A O no hydrogen 2.972 N/A ASN 294.A ND2 ASP 273.A O no hydrogen 3.154 N/A ASN 294.A ND2 VAL 276.A O no hydrogen 2.822 N/A LEU 295.A N ASN 326.A O no hydrogen 3.178 N/A ALA 299.A N ASP 296.A O no hydrogen 2.808 N/A LEU 300.A N PRO 297.A O no hydrogen 3.099 N/A TYR 301.A N CYS 298.A O no hydrogen 2.981 N/A TYR 301.A OH ASP 334.A OD1 no hydrogen 2.513 N/A TYR 301.A OH ASP 334.A OD2 no hydrogen 3.360 N/A ALA 302.A N ALA 299.A O no hydrogen 3.120 N/A SER 303.A N GLU 306.A OE1 no hydrogen 2.982 N/A GLU 306.A N SER 303.A OG no hydrogen 3.015 N/A ILE 307.A N SER 303.A O no hydrogen 2.856 N/A GLY 308.A N GLU 304.A O no hydrogen 3.013 N/A GLN 309.A N GLU 305.A O no hydrogen 3.128 N/A LEU 310.A N GLU 306.A O no hydrogen 2.860 N/A VAL 311.A N ILE 307.A O no hydrogen 2.833 N/A LYS 312.A N GLY 308.A O no hydrogen 2.962 N/A LYS 312.A NZ ASP 316.A OD2 no hydrogen 2.714 N/A GLN 313.A N GLN 309.A O no hydrogen 3.005 N/A GLN 313.A NE2 GLN 313.A O no hydrogen 3.206 N/A GLN 313.A NE2 ASP 317.A OD1 no hydrogen 2.820 N/A MET 314.A N LEU 310.A O no hydrogen 3.062 N/A LEU 315.A N VAL 311.A O no hydrogen 2.877 N/A ASP 316.A N LYS 312.A O no hydrogen 2.969 N/A ASP 317.A N GLN 313.A O no hydrogen 2.990 N/A PHE 318.A N MET 314.A O no hydrogen 3.006 N/A GLY 319.A N LEU 315.A O no hydrogen 2.793 N/A HIS 321.A ND1 GLU 17.A OE2 no hydrogen 2.695 N/A TYR 323.A OH GLY 293.A O no hydrogen 2.638 N/A ILE 324.A N LEU 291.A O no hydrogen 2.767 N/A ALA 325.A N PRO 22.A O no hydrogen 2.981 N/A ASN 326.A N GLY 293.A O no hydrogen 3.230 N/A LEU 327.A N ASN 326.A OD1 no hydrogen 2.650 N/A GLY 328.A N LEU 295.A O no hydrogen 2.616 N/A LEU 331.A N MET 26.A O no hydrogen 3.182 N/A MET 335.A N TYR 332.A O no hydrogen 3.224 N/A GLU 338.A N ASP 336.A OD1 no hydrogen 3.038 N/A HIS 339.A N ASP 336.A O no hydrogen 2.804 N/A HIS 339.A ND1 LEU 300.A O no hydrogen 2.733 N/A VAL 340.A N ASP 336.A O no hydrogen 3.141 N/A GLY 341.A N PRO 337.A O no hydrogen 2.987 N/A ALA 342.A N GLU 338.A O no hydrogen 3.009 N/A PHE 343.A N HIS 339.A O no hydrogen 3.066 N/A VAL 344.A N VAL 340.A O no hydrogen 3.068 N/A ASP 345.A N GLY 341.A O no hydrogen 2.894 N/A ALA 346.A N ALA 342.A O no hydrogen 3.015 N/A VAL 347.A N PHE 343.A O no hydrogen 3.066 N/A HIS 348.A N VAL 344.A O no hydrogen 3.177 N/A HIS 348.A NE2 ASP 69.A OD2 no hydrogen 2.530 N/A LYS 349.A N ASP 345.A O no hydrogen 2.911 N/A HIS 350.A N ALA 346.A O no hydrogen 2.848 N/A HIS 350.A NE2 ASP 316.A OD1 no hydrogen 2.695 N/A SER 351.A N VAL 347.A O no hydrogen 3.037 N/A SER 351.A OG VAL 347.A O no hydrogen 2.712 N/A SER 351.A OG HIS 348.A O no hydrogen 2.972 N/A ARG 352.A N HIS 348.A O no hydrogen 3.189 N/A LEU 353.A N LYS 349.A O no hydrogen 3.112 N/A LEU 354.A N HIS 350.A O no hydrogen 2.694 N/A ARG 355.A N SER 351.A O no hydrogen 3.191 N/A ARG 355.A NE THR 18.A O no hydrogen 3.043 N/A ARG 355.A NH1 SER 351.A O no hydrogen 2.809 N/A GLN 356.A N ARG 352.A O no hydrogen 3.061 N/A GLN 356.A N LEU 353.A O no hydrogen 3.068 N/A