Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 6dkk_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): LEU 10.A N MET 6.A O no hydrogen 3.040 N/A ARG 11.A N PHE 7.A O no hydrogen 2.840 N/A ALA 12.A N HIS 8.A O no hydrogen 2.755 N/A GLN 13.A N LEU 10.A O no hydrogen 2.955 N/A GLN 13.A NE2 TYR 9.A O no hydrogen 3.441 N/A GLU 14.A N ARG 11.A O no hydrogen 2.718 N/A GLU 16.A N GLU 16.A OE1 no hydrogen 2.532 N/A ARG 21.A NH1 VAL 50.A O no hydrogen 3.461 N/A ARG 21.A NH2 VAL 50.A O no hydrogen 3.384 N/A ALA 23.A N SER 36.A O no hydrogen 2.671 N/A THR 25.A N VAL 38.A O no hydrogen 2.943 N/A THR 25.A OG1 GLU 30.A OE1 no hydrogen 2.528 N/A ASN 26.A ND2 THR 40.A O no hydrogen 3.518 N/A ASN 26.A ND2 PHE 42.A O no hydrogen 3.132 N/A SER 27.A N THR 25.A OG1 no hydrogen 3.025 N/A GLU 30.A N SER 27.A OG no hydrogen 2.943 N/A ALA 31.A N SER 27.A O no hydrogen 3.143 N/A LEU 32.A N VAL 28.A O no hydrogen 3.179 N/A LEU 33.A N GLU 30.A O no hydrogen 3.285 N/A ASN 34.A N ALA 31.A O no hydrogen 3.392 N/A ASN 34.A ND2 GLU 30.A O no hydrogen 2.834 N/A ARG 37.A N ASN 34.A O no hydrogen 3.150 N/A ARG 37.A NH1 SER 36.A O no hydrogen 3.509 N/A VAL 38.A N ALA 23.A O no hydrogen 2.932 N/A TYR 39.A N ALA 12.A O no hydrogen 2.714 N/A THR 40.A N THR 25.A O no hydrogen 2.874 N/A THR 40.A OG1 GLN 195.A OE1 no hydrogen 2.624 N/A PHE 42.A N THR 40.A OG1 no hydrogen 3.003 N/A SER 43.A N GLU 73.A OE2 no hydrogen 3.026 N/A SER 43.A OG GLU 73.A OE1 no hydrogen 2.564 N/A TYR 46.A N SER 43.A O no hydrogen 2.854 N/A TYR 46.A N SER 43.A OG no hydrogen 3.235 N/A TYR 46.A OH THR 199.A OG1 no hydrogen 2.774 N/A VAL 47.A N SER 43.A O no hydrogen 3.191 N/A LYS 48.A N SER 44.A O no hydrogen 2.835 N/A LYS 49.A N ASP 45.A O no hydrogen 3.231 N/A LYS 49.A NZ GLN 65.A OE1 no hydrogen 2.483 N/A VAL 50.A N TYR 46.A O no hydrogen 2.896 N/A ASN 51.A N VAL 47.A O no hydrogen 3.036 N/A ASN 51.A ND2 LEU 24.A O no hydrogen 3.056 N/A LYS 52.A NZ THR 54.A OG1 no hydrogen 3.187 N/A THR 54.A N GLN 206.A OE1 no hydrogen 2.930 N/A THR 54.A OG1 LYS 52.A O no hydrogen 3.223 N/A PHE 59.A N ALA 56.A O no hydrogen 3.374 N/A TRP 62.A N MET 58.A O no hydrogen 3.223 N/A TRP 62.A NE1 LYS 49.A O no hydrogen 2.898 N/A VAL 63.A N PHE 59.A O no hydrogen 2.858 N/A GLU 64.A N LEU 60.A O no hydrogen 2.852 N/A GLN 65.A N GLY 61.A O no hydrogen 2.780 N/A LEU 66.A N TRP 62.A O no hydrogen 3.111 N/A VAL 67.A N VAL 63.A O no hydrogen 3.020 N/A TYR 68.A N GLU 64.A O no hydrogen 3.168 N/A ASP 69.A N GLN 65.A O no hydrogen 2.818 N/A PHE 70.A N LEU 66.A O no hydrogen 2.460 N/A THR 71.A N VAL 67.A O no hydrogen 2.932 N/A THR 71.A OG1 VAL 67.A O no hydrogen 2.783 N/A THR 71.A OG1 SER 232.A OG no hydrogen 2.718 N/A ASP 72.A N TYR 68.A O no hydrogen 2.909 N/A GLU 73.A N ASP 69.A O no hydrogen 2.782 N/A THR 74.A N PHE 70.A O no hydrogen 3.259 N/A THR 74.A OG1 PHE 70.A O no hydrogen 2.921 N/A THR 74.A OG1 THR 71.A O no hydrogen 3.298 N/A SER 75.A N THR 71.A O no hydrogen 2.883 N/A SER 75.A OG THR 71.A O no hydrogen 3.206 N/A GLU 76.A N ASP 72.A O no hydrogen 2.974 N/A VAL 77.A N SER 75.A O no hydrogen 2.597 N/A SER 78.A N ILE 113.A O no hydrogen 2.998 N/A THR 80.A N ALA 111.A O no hydrogen 3.142 N/A LYS 82.A N THR 80.A OG1 no hydrogen 2.801 N/A ASP 85.A N LYS 105.A O no hydrogen 2.871 N/A THR 87.A N LEU 103.A O no hydrogen 3.139 N/A GLY 100.A N ASN 98.A OD1 no hydrogen 2.714 N/A ASN 101.A N ASN 98.A O no hydrogen 3.068 N/A MET 102.A N ILE 99.A O no hydrogen 3.029 N/A LEU 103.A N THR 87.A O no hydrogen 3.098 N/A TYR 104.A OH ASP 106.A OD2 no hydrogen 2.634 N/A LYS 105.A N ASP 85.A O no hydrogen 2.792 N/A LYS 105.A NZ GLU 122.A OE1 no hydrogen 2.665 N/A LYS 105.A NZ GLU 122.A OE2 no hydrogen 2.861 N/A VAL 109.A N LEU 121.A O no hydrogen 2.808 N/A ALA 111.A N THR 80.A O no hydrogen 2.718 N/A LEU 112.A N ILE 119.A O no hydrogen 2.742 N/A ILE 113.A N SER 78.A O no hydrogen 2.831 N/A PHE 114.A N ALA 117.A O no hydrogen 2.914 N/A ILE 119.A N LEU 112.A O no hydrogen 2.812 N/A LEU 121.A N GLY 110.A O no hydrogen 2.937 N/A THR 134.A OG1 LEU 132.A O no hydrogen 3.388 N/A LEU 146.A N ASN 143.A O no hydrogen 2.820 N/A LEU 146.A N ASN 143.A OD1 no hydrogen 3.307 N/A THR 147.A N ASN 143.A O no hydrogen 3.093 N/A THR 147.A OG1 LYS 144.A O no hydrogen 3.418 N/A VAL 148.A N LYS 144.A O no hydrogen 3.160 N/A GLN 149.A N VAL 145.A O no hydrogen 3.084 N/A THR 150.A N LEU 146.A O no hydrogen 3.279 N/A THR 150.A OG1 THR 147.A O no hydrogen 2.792 N/A THR 150.A OG1 TYR 278.A OH no hydrogen 3.328 N/A ILE 151.A N THR 147.A O no hydrogen 3.107 N/A ASP 152.A N VAL 148.A O no hydrogen 2.900 N/A ASN 153.A N GLN 149.A O no hydrogen 2.719 N/A ALA 154.A N THR 150.A O no hydrogen 2.859 N/A LEU 155.A N ILE 151.A O no hydrogen 3.013 N/A SER 156.A N ASP 152.A O no hydrogen 2.933 N/A LYS 157.A N ALA 154.A O no hydrogen 3.010 N/A ARG 158.A N ALA 154.A O no hydrogen 2.967 N/A ARG 158.A NH2 ASP 268.A OD2 no hydrogen 2.217 N/A ARG 158.A NH2 THR 303.A O no hydrogen 3.321 N/A LYS 161.A N LYS 157.A O no hydrogen 2.986 N/A TRP 162.A N ARG 158.A O no hydrogen 2.968 N/A TRP 162.A NE1 ASP 268.A OD1 no hydrogen 3.185 N/A ASP 163.A N ASN 159.A O no hydrogen 3.207 N/A GLU 164.A N GLU 160.A O no hydrogen 2.831 N/A VAL 165.A N LYS 161.A O no hydrogen 2.672 N/A TYR 166.A N TRP 162.A O no hydrogen 2.908 N/A TYR 166.A OH ILE 305.A O no hydrogen 2.616 N/A LYS 167.A N ASP 163.A O no hydrogen 2.824 N/A TYR 168.A N GLU 164.A O no hydrogen 2.788 N/A TYR 168.A OH ALA 128.A O no hydrogen 2.737 N/A ILE 169.A N VAL 165.A O no hydrogen 2.853 N/A VAL 170.A N TYR 166.A O no hydrogen 2.979 N/A THR 171.A N LYS 167.A O no hydrogen 2.723 N/A THR 171.A OG1 LYS 167.A O no hydrogen 2.514 N/A ASN 172.A N TYR 168.A O no hydrogen 3.030 N/A ASN 172.A ND2 TYR 168.A O no hydrogen 2.864 N/A TRP 173.A N ILE 169.A O no hydrogen 2.870 N/A TRP 173.A N VAL 170.A O no hydrogen 3.140 N/A TRP 173.A NE1 SER 248.A O no hydrogen 2.827 N/A LEU 174.A N VAL 170.A O no hydrogen 3.065 N/A ALA 175.A N THR 171.A O no hydrogen 3.039 N/A LYS 176.A N ASN 172.A O no hydrogen 2.920 N/A VAL 177.A N ASN 172.A O no hydrogen 3.160 N/A ASN 178.A N TRP 173.A O no hydrogen 2.752 N/A THR 179.A OG1 ALA 175.A O no hydrogen 3.116 N/A GLN 180.A N LYS 176.A O no hydrogen 3.181 N/A ILE 181.A N VAL 177.A O no hydrogen 2.919 N/A ASP 182.A N ASN 178.A O no hydrogen 2.990 N/A LEU 183.A N THR 179.A O no hydrogen 3.274 N/A LEU 183.A N GLN 180.A O no hydrogen 3.213 N/A ILE 184.A N GLN 180.A O no hydrogen 3.247 N/A ARG 185.A N ILE 181.A O no hydrogen 3.059 N/A ARG 185.A NE ASN 241.A OD1 no hydrogen 3.057 N/A ARG 185.A NH1 ASN 245.A OD1 no hydrogen 2.152 N/A ARG 185.A NH2 ASP 182.A OD1 no hydrogen 3.045 N/A LYS 186.A N ASP 182.A O no hydrogen 3.277 N/A LYS 187.A N LEU 183.A O no hydrogen 2.956 N/A LYS 187.A NZ GLU 190.A OE2 no hydrogen 3.187 N/A MET 188.A N ILE 184.A O no hydrogen 2.926 N/A LYS 189.A N ARG 185.A O no hydrogen 3.049 N/A GLU 190.A N LYS 186.A O no hydrogen 2.895 N/A ALA 191.A N LYS 187.A O no hydrogen 2.956 N/A LEU 192.A N MET 188.A O no hydrogen 2.934 N/A GLU 193.A N LYS 189.A O no hydrogen 2.951 N/A ASN 194.A N ALA 191.A O no hydrogen 2.963 N/A GLN 195.A N ALA 191.A O no hydrogen 3.079 N/A GLN 195.A NE2 TYR 39.A O no hydrogen 3.003 N/A ALA 196.A N LEU 192.A O no hydrogen 2.996 N/A ALA 198.A N ASN 194.A O no hydrogen 2.741 N/A THR 199.A N GLN 195.A O no hydrogen 3.074 N/A THR 199.A OG1 TYR 46.A OH no hydrogen 2.774 N/A THR 199.A OG1 GLN 195.A O no hydrogen 3.370 N/A LYS 200.A N ALA 196.A O no hydrogen 3.099 N/A LYS 200.A NZ GLU 197.A OE2 no hydrogen 3.334 N/A LYS 200.A NZ SER 226.A OG no hydrogen 2.667 N/A ALA 201.A N GLU 197.A O no hydrogen 2.905 N/A ILE 202.A N ALA 198.A O no hydrogen 2.893 N/A ILE 203.A N THR 199.A O no hydrogen 2.920 N/A ASN 204.A N LYS 200.A O no hydrogen 2.840 N/A TYR 205.A N ALA 201.A O no hydrogen 3.024 N/A GLN 206.A N ILE 202.A O no hydrogen 3.190 N/A GLN 206.A NE2 GLN 206.A O no hydrogen 2.947 N/A TYR 207.A N ILE 203.A O no hydrogen 3.051 N/A TYR 207.A OH LYS 215.A O no hydrogen 2.820 N/A ASN 208.A N ASN 204.A O no hydrogen 3.123 N/A ASN 208.A ND2 ASN 204.A O no hydrogen 3.356 N/A GLN 209.A N GLN 206.A O no hydrogen 3.255 N/A TYR 210.A OH THR 54.A O no hydrogen 2.788 N/A THR 211.A N GLU 214.A OE1 no hydrogen 2.974 N/A THR 211.A OG1 GLU 214.A OE1 no hydrogen 3.374 N/A LYS 215.A N THR 211.A O no hydrogen 3.088 N/A LYS 215.A NZ ASN 208.A OD1 no hydrogen 3.004 N/A LYS 215.A NZ GLU 212.A OE1 no hydrogen 3.075 N/A LYS 215.A NZ GLU 212.A OE2 no hydrogen 2.714 N/A ASN 216.A N GLU 212.A O no hydrogen 3.209 N/A ASN 216.A ND2 GLU 213.A OE1 no hydrogen 3.128 N/A ASN 217.A N GLU 214.A O no hydrogen 2.979 N/A PHE 220.A N ILE 218.A O no hydrogen 2.767 N/A ASN 221.A ND2 ASP 224.A OD1 no hydrogen 2.782 N/A ASP 223.A N ASN 221.A OD1 no hydrogen 3.462 N/A LEU 225.A N ASN 221.A O no hydrogen 3.256 N/A SER 226.A N ILE 222.A O no hydrogen 3.146 N/A SER 226.A OG ILE 222.A O no hydrogen 3.068 N/A SER 227.A N ASP 223.A O no hydrogen 2.972 N/A LYS 228.A N ASP 224.A O no hydrogen 3.056 N/A LEU 229.A N LEU 225.A O no hydrogen 3.088 N/A ASN 230.A N SER 226.A O no hydrogen 3.130 N/A GLU 231.A N SER 227.A O no hydrogen 2.945 N/A SER 232.A N LYS 228.A O no hydrogen 3.357 N/A SER 232.A OG THR 71.A OG1 no hydrogen 2.718 N/A SER 232.A OG LYS 228.A O no hydrogen 3.330 N/A ILE 233.A N LEU 229.A O no hydrogen 2.545 N/A ASN 234.A N ASN 230.A O no hydrogen 2.718 N/A LYS 235.A N GLU 231.A O no hydrogen 2.922 N/A ALA 236.A N SER 232.A O no hydrogen 2.896 N/A MET 237.A N ILE 233.A O no hydrogen 3.004 N/A ILE 238.A N LYS 235.A O no hydrogen 3.288 N/A ILE 240.A N ALA 236.A O no hydrogen 3.145 N/A ASN 241.A N MET 237.A O no hydrogen 2.960 N/A LYS 242.A N ILE 238.A O no hydrogen 2.986 N/A PHE 243.A N ASN 239.A O no hydrogen 3.029 N/A LEU 244.A N ILE 240.A O no hydrogen 2.953 N/A ASN 245.A N ASN 241.A O no hydrogen 2.821 N/A GLN 246.A N LYS 242.A O no hydrogen 2.941 N/A CYS 247.A N PHE 243.A O no hydrogen 2.590 N/A CYS 247.A SG PHE 243.A O no hydrogen 3.486 N/A SER 248.A N LEU 244.A O no hydrogen 2.544 N/A SER 248.A OG ASN 178.A OD1 no hydrogen 2.369 N/A VAL 249.A N ASN 245.A O no hydrogen 2.878 N/A SER 250.A N GLN 246.A O no hydrogen 2.812 N/A SER 250.A OG GLN 246.A O no hydrogen 3.343 N/A SER 250.A OG CYS 247.A O no hydrogen 2.893 N/A TYR 251.A N CYS 247.A O no hydrogen 3.045 N/A LEU 252.A N SER 248.A O no hydrogen 3.394 N/A MET 253.A N VAL 249.A O no hydrogen 2.994 N/A ASN 254.A N SER 250.A O no hydrogen 2.438 N/A SER 255.A N TYR 251.A O no hydrogen 2.895 N/A MET 256.A N TYR 251.A O no hydrogen 2.960 N/A ILE 257.A N LEU 252.A O no hydrogen 3.126 N/A TYR 259.A N SER 255.A O no hydrogen 2.856 N/A GLY 260.A N MET 256.A O no hydrogen 2.952 N/A VAL 261.A N ILE 257.A O no hydrogen 2.833 N/A LYS 262.A N PRO 258.A O no hydrogen 3.032 N/A ARG 263.A N TYR 259.A O no hydrogen 2.957 N/A ARG 263.A NE TYR 259.A OH no hydrogen 2.568 N/A LEU 264.A N GLY 260.A O no hydrogen 2.857 N/A GLU 265.A N VAL 261.A O no hydrogen 2.902 N/A ASP 266.A N LYS 262.A O no hydrogen 2.933 N/A PHE 267.A N ARG 263.A O no hydrogen 3.134 N/A ASP 268.A N LEU 264.A O no hydrogen 2.953 N/A ALA 269.A N GLU 265.A O no hydrogen 3.011 N/A SER 270.A N ASP 266.A O no hydrogen 3.174 N/A LEU 271.A N PHE 267.A O no hydrogen 2.922 N/A LYS 272.A N ASP 268.A O no hydrogen 3.119 N/A ASP 273.A N ALA 269.A O no hydrogen 3.176 N/A ALA 274.A N SER 270.A O no hydrogen 3.166 N/A LEU 275.A N LEU 271.A O no hydrogen 2.746 N/A LEU 276.A N LYS 272.A O no hydrogen 2.796 N/A TYR 278.A N ALA 274.A O no hydrogen 3.319 N/A TYR 278.A OH VAL 138.A O no hydrogen 2.298 N/A TYR 278.A OH THR 150.A OG1 no hydrogen 3.328 N/A ILE 279.A N LEU 275.A O no hydrogen 3.078 N/A TYR 280.A N LEU 276.A O no hydrogen 2.782 N/A ASP 281.A N LYS 277.A O no hydrogen 2.813 N/A ASN 282.A N ILE 279.A O no hydrogen 3.053 N/A THR 285.A N ARG 283.A O no hydrogen 2.778 N/A THR 285.A OG1 ARG 283.A O no hydrogen 3.267 N/A ILE 287.A N GLY 284.A O no hydrogen 2.795 N/A GLN 289.A N LEU 286.A O no hydrogen 3.182 N/A LEU 293.A N GLN 289.A O no hydrogen 2.932 N/A LYS 294.A N VAL 290.A O no hydrogen 3.209 N/A LYS 294.A NZ ASP 291.A OD1 no hydrogen 3.515 N/A ASP 295.A N ASP 291.A O no hydrogen 3.031 N/A LYS 296.A N ARG 292.A O no hydrogen 3.348 N/A LYS 296.A NZ ASP 152.A OD1 no hydrogen 3.193 N/A VAL 297.A N LEU 293.A O no hydrogen 2.729 N/A ASN 298.A N LYS 294.A O no hydrogen 2.728 N/A ASN 299.A N ASP 295.A O no hydrogen 2.680 N/A THR 300.A N LYS 296.A O no hydrogen 3.161 N/A THR 300.A OG1 LYS 296.A O no hydrogen 2.290 N/A THR 300.A OG1 VAL 297.A O no hydrogen 2.644 N/A LEU 301.A N VAL 297.A O no hydrogen 2.579 N/A SER 302.A OG ASN 298.A O no hydrogen 3.248 N/A THR 303.A OG1 ASN 299.A O no hydrogen 2.762 N/A TYR 312.A N LEU 309.A O no hydrogen 2.977 N/A TYR 312.A OH ASP 163.A OD2 no hydrogen 2.542 N/A VAL 313.A N LEU 309.A O no hydrogen 3.019 N/A VAL 313.A N SER 310.A O no hydrogen 3.165 N/A