Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3v6r_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): GLN 3.A N GLN 3.A OE1 no hydrogen 2.644 N/A TYR 5.A N VAL 16.A O no hydrogen 3.014 N/A TYR 5.A OH TYR 20.A O no hydrogen 2.751 N/A SER 6.A OG THR 15.A OG1 no hydrogen 3.082 N/A VAL 7.A N PHE 14.A O no hydrogen 2.963 N/A VAL 9.A N SER 12.A O no hydrogen 2.715 N/A SER 12.A N VAL 9.A O no hydrogen 3.085 N/A THR 13.A OG1 GLU 8.A OE1 no hydrogen 2.967 N/A THR 13.A OG1 GLU 8.A OE2 no hydrogen 2.834 N/A PHE 14.A N VAL 7.A O no hydrogen 2.804 N/A THR 15.A N TYR 99.A OH no hydrogen 2.877 N/A THR 15.A OG1 SER 6.A OG no hydrogen 3.082 N/A VAL 16.A N TYR 5.A O no hydrogen 3.076 N/A LYS 18.A N GLN 3.A O no hydrogen 2.748 N/A LYS 18.A NZ ASN 2.A O no hydrogen 3.367 N/A ARG 19.A NE ASP 39.A OD1 no hydrogen 2.986 N/A ARG 19.A NH2 ASP 39.A OD1 no hydrogen 3.198 N/A ARG 19.A NH2 ASP 39.A OD2 no hydrogen 2.842 N/A TYR 20.A N LEU 17.A O no hydrogen 3.046 N/A GLN 21.A N TYR 38.A O no hydrogen 2.915 N/A GLN 21.A NE2 LYS 18.A O no hydrogen 3.423 N/A LYS 24.A N ALA 36.A O no hydrogen 2.721 N/A ILE 26.A N VAL 34.A O no hydrogen 3.413 N/A GLY 27.A N VAL 34.A O no hydrogen 3.031 N/A GLY 29.A N GLY 32.A O no hydrogen 3.255 N/A GLN 31.A NE2 SER 52.A O no hydrogen 3.352 N/A ILE 33.A N LYS 50.A O no hydrogen 3.105 N/A VAL 34.A N GLY 27.A O no hydrogen 2.672 N/A CYS 35.A N ILE 48.A O no hydrogen 3.023 N/A CYS 35.A SG ALA 36.A O no hydrogen 3.954 N/A ALA 36.A N LYS 24.A O no hydrogen 2.659 N/A ALA 37.A N VAL 46.A O no hydrogen 2.975 N/A TYR 38.A N GLN 21.A O no hydrogen 2.827 N/A TYR 38.A OH ASP 43.A OD1 no hydrogen 2.653 N/A ASP 39.A N ARG 44.A O no hydrogen 2.772 N/A ALA 40.A N ARG 19.A O no hydrogen 2.785 N/A LEU 42.A N ASP 39.A OD1 no hydrogen 3.233 N/A ARG 44.A N ASP 39.A O no hydrogen 3.295 N/A VAL 46.A N ALA 37.A O no hydrogen 2.777 N/A ALA 47.A N MET 102.A O no hydrogen 2.787 N/A ILE 48.A N CYS 35.A O no hydrogen 2.888 N/A LYS 49.A N LEU 100.A O no hydrogen 2.832 N/A LYS 49.A NZ GLU 67.A OE1 no hydrogen 2.928 N/A LYS 49.A NZ GLU 67.A OE2 no hydrogen 3.431 N/A LYS 50.A N ILE 33.A O no hydrogen 2.795 N/A LYS 50.A NZ THR 13.A O no hydrogen 2.732 N/A LEU 51.A N VAL 98.A O no hydrogen 3.092 N/A GLN 56.A N ARG 53.A O no hydrogen 3.429 N/A THR 59.A OG1 ASN 57.A OD1 no hydrogen 2.544 N/A HIS 60.A N ASN 57.A OD1 no hydrogen 3.061 N/A HIS 60.A ND1 ARG 53.A O no hydrogen 2.760 N/A ALA 61.A N ASN 57.A O no hydrogen 3.221 N/A LYS 62.A N GLN 58.A O no hydrogen 2.827 N/A ARG 63.A N THR 59.A O no hydrogen 3.007 N/A ARG 63.A NH2 ASP 163.A OD1 no hydrogen 2.790 N/A ALA 64.A N HIS 60.A O no hydrogen 2.948 N/A TYR 65.A N ALA 61.A O no hydrogen 2.955 N/A ARG 66.A N LYS 62.A O no hydrogen 2.978 N/A GLU 67.A N ARG 63.A O no hydrogen 3.049 N/A LEU 68.A N ALA 64.A O no hydrogen 3.069 N/A VAL 69.A N TYR 65.A O no hydrogen 2.971 N/A LEU 70.A N ARG 66.A O no hydrogen 2.903 N/A MET 71.A N GLU 67.A O no hydrogen 2.930 N/A LYS 72.A N LEU 68.A O no hydrogen 3.355 N/A CYS 73.A N VAL 69.A O no hydrogen 3.000 N/A CYS 73.A SG VAL 69.A O no hydrogen 3.478 N/A VAL 74.A N LEU 70.A O no hydrogen 2.907 N/A HIS 76.A NE2 GLU 319.A O no hydrogen 3.172 N/A LYS 77.A NZ GLU 319.A OE1 no hydrogen 2.811 N/A ASN 78.A N HIS 76.A ND1 no hydrogen 2.932 N/A ASN 78.A ND2 GLN 128.A OE1 no hydrogen 3.238 N/A ASN 78.A ND2 LEU 159.A O no hydrogen 2.988 N/A ILE 79.A N HIS 76.A O no hydrogen 3.111 N/A ILE 80.A N ILE 161.A O no hydrogen 3.045 N/A LEU 83.A N VAL 101.A O no hydrogen 2.726 N/A ASN 84.A N VAL 101.A O no hydrogen 3.130 N/A ASN 84.A ND2 TYR 20.A OH no hydrogen 2.862 N/A PHE 86.A N TYR 99.A O no hydrogen 3.235 N/A THR 87.A OG1 ASP 97.A O no hydrogen 2.766 N/A GLN 89.A NE2 ASP 97.A OD2 no hydrogen 3.361 N/A PHE 95.A N THR 91.A O no hydrogen 2.851 N/A GLN 96.A N GLN 89.A OE1 no hydrogen 2.788 N/A ASP 97.A N GLN 89.A OE1 no hydrogen 2.852 N/A TYR 99.A N PHE 86.A O no hydrogen 3.059 N/A LEU 100.A N LYS 49.A O no hydrogen 2.856 N/A VAL 101.A N ASN 84.A O no hydrogen 2.768 N/A MET 102.A N ALA 47.A O no hydrogen 2.871 N/A ALA 107.A N VAL 153.A O no hydrogen 3.048 N/A ASN 108.A N GLN 111.A OE1.B no hydrogen 3.513 N/A ASN 108.A ND2 SER 149.A O no hydrogen 2.825 N/A LEU 109.A N ILE 151.A O no hydrogen 2.792 N/A CYS 110.A N ASN 108.A OD1 no hydrogen 2.991 N/A GLN 111.A N.A ASN 108.A O no hydrogen 3.087 N/A GLN 111.A N.B ASN 108.A O no hydrogen 3.173 N/A VAL 112.A N ASN 108.A O no hydrogen 3.388 N/A ILE 113.A N LEU 109.A O no hydrogen 2.721 N/A GLN 114.A N GLN 111.A O.A no hydrogen 3.072 N/A GLN 114.A N GLN 111.A O.B no hydrogen 3.002 N/A MET 115.A N VAL 112.A O no hydrogen 2.885 N/A HIS 119.A ND1 TYR 310.A OH no hydrogen 2.789 N/A ARG 121.A N ASP 118.A OD2 no hydrogen 2.997 N/A ARG 121.A NH1 ASP 118.A OD1 no hydrogen 2.866 N/A MET 122.A N ASP 118.A O no hydrogen 3.027 N/A SER 123.A N HIS 119.A O no hydrogen 2.892 N/A SER 123.A OG HIS 119.A O no hydrogen 2.962 N/A SER 123.A OG GLU 120.A O no hydrogen 3.259 N/A TYR 124.A N GLU 120.A O no hydrogen 3.195 N/A LEU 125.A N ARG 121.A O no hydrogen 2.949 N/A LEU 126.A N MET 122.A O no hydrogen 3.097 N/A TYR 127.A N SER 123.A O no hydrogen 2.875 N/A TYR 127.A OH GLU 319.A OE2 no hydrogen 2.780 N/A GLN 128.A N TYR 124.A O no hydrogen 3.089 N/A GLN 128.A NE2 TYR 124.A O no hydrogen 3.315 N/A GLN 128.A NE2 CYS 157.A O no hydrogen 2.865 N/A MET 129.A N LEU 125.A O no hydrogen 3.043 N/A LEU 130.A N LEU 126.A O no hydrogen 2.900 N/A CYS 131.A N TYR 127.A O no hydrogen 2.979 N/A CYS 131.A SG TYR 127.A O no hydrogen 3.315 N/A GLY 132.A N GLN 128.A O no hydrogen 2.960 N/A ILE 133.A N MET 129.A O no hydrogen 2.833 N/A LYS 134.A N LEU 130.A O no hydrogen 2.942 N/A HIS 135.A N CYS 131.A O no hydrogen 3.127 N/A LEU 136.A N GLY 132.A O no hydrogen 3.051 N/A HIS 137.A N ILE 133.A O no hydrogen 2.977 N/A HIS 137.A NE2 ASP 197.A OD2 no hydrogen 2.805 N/A SER 138.A N LYS 134.A O no hydrogen 3.011 N/A SER 138.A OG LYS 134.A O no hydrogen 3.476 N/A ALA 139.A N LEU 136.A O no hydrogen 3.119 N/A GLY 140.A N HIS 137.A O no hydrogen 2.871 N/A ILE 141.A N LEU 136.A O no hydrogen 2.914 N/A ILE 142.A N ALA 167.A O no hydrogen 3.172 N/A HIS 143.A N ASP 197.A OD2 no hydrogen 3.084 N/A ARG 144.A N ASP 197.A OD1 no hydrogen 2.817 N/A ASP 145.A N HIS 143.A ND1 no hydrogen 3.136 N/A ASP 145.A OD1.B ASP 145.A OD2.B no hydrogen 2.199 N/A ASP 145.A OD2.B ASP 145.A OD1.B no hydrogen 2.199 N/A LYS 147.A NZ ASP 145.A OD2.B no hydrogen 3.001 N/A ASN 150.A N LYS 147.A O no hydrogen 2.962 N/A ILE 151.A N PRO 148.A O no hydrogen 3.157 N/A VAL 152.A N LYS 160.A O no hydrogen 2.999 N/A VAL 153.A N ALA 107.A O no hydrogen 2.725 N/A LYS 154.A N THR 158.A O no hydrogen 2.823 N/A SER 155.A N ASP 106.A OD2 no hydrogen 2.628 N/A SER 155.A OG ASP 106.A OD2 no hydrogen 3.555 N/A CYS 157.A N LYS 154.A O no hydrogen 2.900 N/A THR 158.A N ASP 156.A OD1 no hydrogen 3.207 N/A THR 158.A OG1 ASP 156.A OD1 no hydrogen 2.510 N/A THR 158.A OG1 ASP 156.A OD2 no hydrogen 3.545 N/A LEU 159.A N GLN 128.A OE1 no hydrogen 2.855 N/A LYS 160.A N VAL 152.A O no hydrogen 2.955 N/A LYS 160.A NZ LYS 77.A O no hydrogen 2.781 N/A ILE 161.A N ASN 78.A O no hydrogen 2.841 N/A LEU 162.A N ASN 150.A O no hydrogen 2.760 N/A LEU 166.A N HIS 143.A O no hydrogen 2.968 N/A ALA 167.A N PHE 164.A O no hydrogen 3.211 N/A THR 169.A N LEU 166.A O no hydrogen 3.204 N/A THR 169.A OG1 LEU 166.A O no hydrogen 2.627 N/A THR 172.A OG1 THR 172.A O no hydrogen 2.418 N/A TYR 181.A OH GLU 207.A OE1 no hydrogen 2.560 N/A ARG 182.A N ARG 179.A O no hydrogen 3.149 N/A ARG 182.A NE ASP 145.A OD1.B no hydrogen 2.996 N/A ARG 182.A NH1 TYR 220.A OH no hydrogen 2.786 N/A ARG 182.A NH2 ASP 145.A OD2.B no hydrogen 3.294 N/A GLU 185.A N GLU 185.A OE1 no hydrogen 2.823 N/A VAL 186.A N ALA 183.A O no hydrogen 2.938 N/A ILE 187.A N ALA 183.A O no hydrogen 3.105 N/A LEU 188.A N PRO 184.A O no hydrogen 2.860 N/A GLY 189.A N VAL 186.A O no hydrogen 3.236 N/A MET 190.A N GLU 185.A O no hydrogen 2.818 N/A ASN 195.A ND2 PRO 296.A O no hydrogen 2.640 N/A ASN 195.A ND2 ARG 299.A O no hydrogen 3.189 N/A VAL 196.A N LYS 193.A O no hydrogen 3.340 N/A ASP 197.A N GLU 194.A O no hydrogen 3.437 N/A ILE 198.A N ASN 195.A O no hydrogen 3.099 N/A SER 200.A OG TYR 181.A O no hydrogen 2.780 N/A VAL 201.A N ASP 197.A O no hydrogen 3.254 N/A GLY 202.A N ILE 198.A O no hydrogen 2.902 N/A CYS 203.A N TRP 199.A O no hydrogen 2.916 N/A CYS 203.A SG TYR 180.A O no hydrogen 3.880 N/A CYS 203.A SG TRP 199.A O no hydrogen 3.372 N/A ILE 204.A N SER 200.A O no hydrogen 3.001 N/A MET 205.A N VAL 201.A O no hydrogen 2.896 N/A GLY 206.A N GLY 202.A O no hydrogen 2.949 N/A GLU 207.A N CYS 203.A O no hydrogen 3.064 N/A MET 208.A N ILE 204.A O no hydrogen 2.979 N/A VAL 209.A N MET 205.A O no hydrogen 3.126 N/A ARG 210.A N GLY 206.A O no hydrogen 2.816 N/A HIS 211.A N GLU 207.A O no hydrogen 2.738 N/A HIS 211.A NE2 MET 115.A O no hydrogen 2.892 N/A ARG 218.A N ASP 222.A OD2 no hydrogen 3.253 N/A ASP 222.A N ASP 219.A OD1 no hydrogen 2.953 N/A GLN 223.A N ASP 219.A O no hydrogen 2.934 N/A GLN 223.A NE2 ARG 179.A O no hydrogen 2.842 N/A TRP 224.A N TYR 220.A O no hydrogen 2.759 N/A ASN 225.A N ILE 221.A O no hydrogen 3.379 N/A LYS 226.A N ASP 222.A O no hydrogen 3.330 N/A LYS 226.A NZ ASP 222.A OD1 no hydrogen 2.770 N/A VAL 227.A N GLN 223.A O no hydrogen 3.193 N/A VAL 227.A N TRP 224.A O no hydrogen 3.144 N/A ILE 228.A N TRP 224.A O no hydrogen 3.006 N/A GLU 229.A N ASN 225.A O no hydrogen 2.819 N/A GLN 230.A NE2 LEU 214.A O no hydrogen 2.937 N/A GLN 230.A NE2 LYS 226.A O no hydrogen 2.790 N/A LEU 231.A N VAL 227.A O no hydrogen 2.848 N/A GLY 232.A N ILE 228.A O no hydrogen 2.904 N/A THR 233.A N TYR 256.A O no hydrogen 2.918 N/A THR 233.A OG1 TYR 256.A O no hydrogen 3.264 N/A MET 239.A N CYS 235.A O no hydrogen 3.191 N/A LYS 240.A N PRO 236.A O no hydrogen 2.808 N/A LYS 241.A N GLU 237.A O no hydrogen 3.311 N/A ARG 247.A N GLN 243.A O no hydrogen 3.150 N/A ASN 248.A N PRO 244.A O no hydrogen 3.149 N/A VAL 250.A N VAL 246.A O no hydrogen 2.967 N/A GLU 251.A N ARG 247.A O no hydrogen 2.810 N/A ASN 252.A N ASN 248.A O no hydrogen 3.101 N/A ASN 252.A N TYR 249.A O no hydrogen 3.219 N/A ASN 252.A ND2 ASN 248.A OD1 no hydrogen 3.400 N/A ARG 253.A N VAL 250.A O no hydrogen 3.279 N/A LYS 255.A NZ GLU 251.A O no hydrogen 2.885 N/A LYS 255.A NZ ARG 253.A O no hydrogen 3.350 N/A TYR 256.A N THR 233.A OG1 no hydrogen 2.715 N/A LYS 263.A N THR 260.A O no hydrogen 3.106 N/A LEU 264.A N THR 260.A O no hydrogen 2.811 N/A PHE 265.A N PHE 261.A O no hydrogen 2.691 N/A LEU 269.A N PRO 266.A O no hydrogen 2.963 N/A PHE 270.A N ASP 267.A O no hydrogen 3.016 N/A ASN 277.A N SER 274.A OG no hydrogen 3.289 N/A ASN 277.A ND2 ALA 272.A O no hydrogen 3.185 N/A LYS 278.A N SER 274.A O no hydrogen 3.037 N/A LEU 279.A N GLU 275.A O no hydrogen 3.047 N/A LYS 280.A N HIS 276.A O no hydrogen 3.019 N/A ALA 281.A N ASN 277.A O no hydrogen 3.022 N/A ALA 281.A N LYS 278.A O no hydrogen 3.298 N/A SER 282.A N LYS 278.A O no hydrogen 3.476 N/A GLN 283.A N LEU 279.A O no hydrogen 3.266 N/A ALA 284.A N LYS 280.A O no hydrogen 3.196 N/A ARG 285.A N ALA 281.A O no hydrogen 3.071 N/A ARG 285.A NE PHE 265.A O no hydrogen 2.809 N/A ARG 285.A NH2 PHE 265.A O no hydrogen 3.021 N/A ARG 285.A NH2 ASP 267.A OD1 no hydrogen 3.279 N/A ASP 286.A N SER 282.A O no hydrogen 3.126 N/A LEU 287.A N GLN 283.A O no hydrogen 3.077 N/A LEU 288.A N ALA 284.A O no hydrogen 3.031 N/A SER 289.A N ARG 285.A O no hydrogen 2.926 N/A SER 289.A OG ASP 286.A O no hydrogen 2.854 N/A LYS 290.A N LEU 287.A O no hydrogen 3.229 N/A LYS 290.A NZ ASP 286.A OD2 no hydrogen 2.942 N/A MET 291.A N LEU 287.A O no hydrogen 2.993 N/A MET 291.A N LEU 288.A O no hydrogen 3.209 N/A LEU 292.A N LEU 288.A O no hydrogen 2.802 N/A ALA 297.A N ASP 295.A OD1 no hydrogen 3.242 N/A LYS 298.A N ASP 295.A O no hydrogen 3.194 N/A ARG 299.A NE VAL 293.A O no hydrogen 2.929 N/A ARG 299.A NH1 GLU 185.A OE1 no hydrogen 3.559 N/A ARG 299.A NH1 GLU 185.A OE2 no hydrogen 2.746 N/A ARG 299.A NH1 ASN 195.A O no hydrogen 2.936 N/A ARG 299.A NH2 GLU 185.A OE1 no hydrogen 2.777 N/A ARG 299.A NH2 GLU 185.A OE2 no hydrogen 3.444 N/A ARG 299.A NH2 VAL 293.A O no hydrogen 3.158 N/A ARG 299.A NH2 ILE 294.A O no hydrogen 2.966 N/A ILE 300.A N LYS 290.A O no hydrogen 3.031 N/A ASP 304.A N SER 301.A OG no hydrogen 3.270 N/A ALA 305.A N SER 301.A O no hydrogen 3.089 N/A LEU 306.A N VAL 302.A O no hydrogen 2.959 N/A GLN 307.A N ASP 304.A O no hydrogen 3.088 N/A HIS 308.A N ALA 305.A O no hydrogen 3.143 N/A HIS 308.A NE2 ASP 286.A OD2 no hydrogen 2.763 N/A TYR 310.A N HIS 308.A ND1 no hydrogen 3.064 N/A TYR 310.A OH HIS 119.A ND1 no hydrogen 2.789 N/A ILE 311.A N HIS 308.A O no hydrogen 2.972 N/A ASN 312.A N HIS 308.A O no hydrogen 2.746 N/A ASN 312.A ND2 LEU 306.A O no hydrogen 3.091 N/A TRP 314.A N ILE 311.A O no hydrogen 3.005 N/A TRP 314.A NE1 SER 123.A OG no hydrogen 2.708 N/A TYR 315.A N ASN 312.A O no hydrogen 2.979 N/A TYR 315.A OH GLU 321.A OE2 no hydrogen 2.659 N/A ASP 316.A N TYR 127.A OH no hydrogen 3.062 N/A ALA 318.A N ASP 316.A OD1 no hydrogen 3.276 N/A GLU 319.A N ASP 316.A O no hydrogen 2.820 N/A VAL 320.A N ASP 316.A O no hydrogen 3.051 N/A GLU 321.A N PRO 317.A O no hydrogen 2.827 N/A GLN 326.A NE2 PRO 324.A O no hydrogen 2.893 N/A GLU 338.A N THR 335.A OG1 no hydrogen 3.236 N/A TRP 339.A N THR 335.A O no hydrogen 2.959 N/A LYS 340.A N ILE 336.A O no hydrogen 2.909 N/A LYS 340.A NZ LEU 92.A O no hydrogen 3.544 N/A GLU 341.A N GLU 337.A O no hydrogen 3.168 N/A LEU 342.A N GLU 338.A O no hydrogen 3.178 N/A ILE 343.A N TRP 339.A O no hydrogen 2.659 N/A TYR 344.A N LYS 340.A O no hydrogen 2.752 N/A LYS 345.A N GLU 341.A O no hydrogen 3.077 N/A LYS 345.A NZ GLU 341.A OE2 no hydrogen 3.264 N/A GLU 346.A N LEU 342.A O no hydrogen 3.382 N/A VAL 347.A N ILE 343.A O no hydrogen 3.135 N/A MET 348.A N TYR 344.A O no hydrogen 3.001 N/A ASN 349.A N LYS 345.A O no hydrogen 2.782 N/A SER 350.A OG VAL 347.A O no hydrogen 3.308 N/A