Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 2x72_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): THR 4.A N VAL 11.A O no hydrogen 2.905 N/A THR 4.A OG1 PHE 13.A O no hydrogen 2.556 N/A PHE 9.A N GLY 6.A O no hydrogen 3.505 N/A VAL 11.A N THR 4.A O no hydrogen 3.100 N/A GLY 18.A N ASN 15.A O no hydrogen 2.702 N/A VAL 20.A N ASN 15.A OD1 no hydrogen 3.213 N/A ARG 21.A N TYR 30.A OH no hydrogen 2.996 N/A ARG 21.A NH1 GLY 18.A O no hydrogen 2.927 N/A ARG 21.A NH1 VAL 20.A O no hydrogen 2.957 N/A ARG 21.A NH2 GLY 18.A O no hydrogen 3.458 N/A GLU 25.A N SER 22.A O no hydrogen 2.970 N/A ALA 26.A N SER 22.A O no hydrogen 3.129 N/A GLN 28.A N GLY 101.A O no hydrogen 3.000 N/A GLN 28.A NE2 ARG 21.A O no hydrogen 3.196 N/A GLN 28.A NE2 SER 22.A O no hydrogen 3.618 N/A GLN 28.A NE2 ALA 26.A O no hydrogen 2.516 N/A LEU 31.A N GLN 28.A O no hydrogen 2.987 N/A GLU 33.A N GLN 36.A OE1 no hydrogen 2.954 N/A GLN 36.A N GLU 33.A O no hydrogen 3.198 N/A PHE 37.A N PRO 34.A O no hydrogen 2.846 N/A SER 38.A N PRO 34.A O no hydrogen 3.128 N/A MET 39.A N TRP 35.A O no hydrogen 3.071 N/A LEU 40.A N GLN 36.A O no hydrogen 3.076 N/A ALA 41.A N PHE 37.A O no hydrogen 3.047 N/A ALA 42.A N SER 38.A O no hydrogen 2.716 N/A TYR 43.A N MET 39.A O no hydrogen 3.037 N/A TYR 43.A OH THR 297.A OG1 no hydrogen 2.754 N/A MET 44.A N LEU 40.A O no hydrogen 3.033 N/A PHE 45.A N ALA 41.A O no hydrogen 2.932 N/A LEU 46.A N ALA 42.A O no hydrogen 2.990 N/A LEU 47.A N TYR 43.A O no hydrogen 2.976 N/A ILE 48.A N MET 44.A O no hydrogen 2.970 N/A ILE 48.A N PHE 45.A O no hydrogen 3.019 N/A MET 49.A N PHE 45.A O no hydrogen 2.822 N/A LEU 50.A N LEU 46.A O no hydrogen 2.877 N/A GLY 51.A N LEU 47.A O no hydrogen 2.847 N/A PHE 52.A N ILE 48.A O no hydrogen 3.148 N/A ILE 54.A N LEU 50.A O no hydrogen 3.447 N/A ASN 55.A N GLY 51.A O no hydrogen 3.233 N/A ASN 55.A ND2 GLY 51.A O no hydrogen 2.881 N/A ASN 55.A ND2 ASP 83.A OD2 no hydrogen 3.440 N/A ASN 55.A ND2 ALA 299.A O no hydrogen 2.894 N/A PHE 56.A N PHE 52.A O no hydrogen 3.010 N/A LEU 57.A N PRO 53.A O no hydrogen 2.760 N/A THR 58.A N ILE 54.A O no hydrogen 3.440 N/A THR 58.A OG1 ILE 54.A O no hydrogen 2.951 N/A TYR 60.A N PHE 56.A O no hydrogen 2.856 N/A VAL 61.A N LEU 57.A O no hydrogen 2.694 N/A THR 62.A N THR 58.A O no hydrogen 3.209 N/A THR 62.A OG1 THR 58.A O no hydrogen 3.139 N/A VAL 63.A N LEU 59.A O no hydrogen 3.331 N/A VAL 63.A N TYR 60.A O no hydrogen 2.796 N/A GLN 64.A N TYR 60.A O no hydrogen 3.308 N/A GLN 64.A N VAL 61.A O no hydrogen 3.031 N/A HIS 65.A NE2 THR 320.A OG1 no hydrogen 3.308 N/A LEU 68.A N HIS 65.A O no hydrogen 3.207 N/A ARG 69.A N LYS 66.A O no hydrogen 3.198 N/A ARG 69.A NH1 THR 62.A O no hydrogen 2.726 N/A ARG 69.A NH1 VAL 63.A O no hydrogen 3.233 N/A THR 70.A N LEU 68.A O no hydrogen 2.882 N/A ASN 73.A N THR 70.A O no hydrogen 2.808 N/A ASN 73.A ND2 LEU 68.A O no hydrogen 2.900 N/A TYR 74.A N PRO 71.A O no hydrogen 3.091 N/A LEU 77.A N ASN 73.A O no hydrogen 3.256 N/A ASN 78.A N TYR 74.A O no hydrogen 2.898 N/A ASN 78.A ND2 SER 127.A OG no hydrogen 2.783 N/A LEU 79.A N ILE 75.A O no hydrogen 2.896 N/A ALA 80.A N LEU 76.A O no hydrogen 3.321 N/A ALA 80.A N LEU 77.A O no hydrogen 2.975 N/A VAL 81.A N LEU 77.A O no hydrogen 2.952 N/A ALA 82.A N ASN 78.A O no hydrogen 2.929 N/A ASP 83.A N LEU 79.A O no hydrogen 3.101 N/A LEU 84.A N ALA 80.A O no hydrogen 3.222 N/A LEU 84.A N VAL 81.A O no hydrogen 3.042 N/A PHE 85.A N VAL 81.A O no hydrogen 3.106 N/A MET 86.A N ALA 82.A O no hydrogen 3.078 N/A VAL 87.A N ASP 83.A O no hydrogen 2.897 N/A PHE 88.A N LEU 84.A O no hydrogen 2.866 N/A GLY 89.A N PHE 85.A O no hydrogen 2.684 N/A GLY 90.A N MET 86.A O no hydrogen 2.892 N/A PHE 91.A N MET 86.A O no hydrogen 2.964 N/A THR 92.A N VAL 87.A O no hydrogen 3.128 N/A THR 92.A OG1 PHE 88.A O no hydrogen 3.029 N/A THR 93.A OG1 GLY 89.A O no hydrogen 3.334 N/A THR 94.A N GLY 90.A O no hydrogen 3.085 N/A THR 94.A OG1 GLY 90.A O no hydrogen 3.428 N/A LEU 95.A N PHE 91.A O no hydrogen 2.877 N/A TYR 96.A N THR 92.A O no hydrogen 3.018 N/A THR 97.A N THR 93.A O no hydrogen 2.955 N/A THR 97.A OG1 THR 93.A O no hydrogen 3.359 N/A THR 97.A OG1 THR 94.A O no hydrogen 3.449 N/A THR 97.A OG1 CYS 185.A O no hydrogen 2.620 N/A SER 98.A N THR 94.A O no hydrogen 3.006 N/A SER 98.A OG THR 94.A O no hydrogen 2.889 N/A SER 98.A OG LEU 95.A O no hydrogen 2.929 N/A LEU 99.A N TYR 96.A O no hydrogen 3.141 N/A HIS 100.A N THR 97.A O no hydrogen 3.028 N/A HIS 100.A ND1 TYR 96.A O no hydrogen 2.952 N/A GLY 101.A N THR 97.A O no hydrogen 3.032 N/A PHE 103.A N PRO 23.A O no hydrogen 2.771 N/A GLY 106.A N PHE 103.A O no hydrogen 3.272 N/A GLY 109.A N PHE 105.A O no hydrogen 3.315 N/A CYS 110.A N GLY 106.A O no hydrogen 2.863 N/A ASN 111.A N PRO 107.A O no hydrogen 2.814 N/A LEU 112.A N THR 108.A O no hydrogen 2.791 N/A GLN 113.A N GLY 109.A O no hydrogen 2.808 N/A GLN 113.A NE2 GLY 90.A O no hydrogen 3.143 N/A GLN 113.A NE2 THR 94.A OG1 no hydrogen 2.996 N/A GLY 114.A N CYS 110.A O no hydrogen 2.960 N/A PHE 115.A N ASN 111.A O no hydrogen 2.686 N/A PHE 116.A N LEU 112.A O no hydrogen 3.013 N/A ALA 117.A N GLN 113.A O no hydrogen 2.827 N/A THR 118.A N GLY 114.A O no hydrogen 3.009 N/A THR 118.A OG1 GLY 114.A O no hydrogen 2.524 N/A LEU 119.A N PHE 115.A O no hydrogen 2.575 N/A GLY 120.A N PHE 116.A O no hydrogen 2.821 N/A GLY 121.A N ALA 117.A O no hydrogen 3.326 N/A ILE 123.A N LEU 119.A O no hydrogen 3.284 N/A ALA 124.A N GLY 120.A O no hydrogen 3.202 N/A LEU 125.A N GLY 121.A O no hydrogen 3.326 N/A TRP 126.A N GLU 122.A O no hydrogen 2.878 N/A TRP 126.A NE1 HIS 211.A ND1 no hydrogen 3.384 N/A SER 127.A N ILE 123.A O no hydrogen 2.726 N/A SER 127.A OG ILE 123.A O no hydrogen 2.707 N/A LEU 128.A N ALA 124.A O no hydrogen 2.939 N/A VAL 129.A N LEU 125.A O no hydrogen 3.220 N/A VAL 130.A N TRP 126.A O no hydrogen 2.763 N/A LEU 131.A N SER 127.A O no hydrogen 2.848 N/A ALA 132.A N LEU 128.A O no hydrogen 3.431 N/A ILE 133.A N VAL 129.A O no hydrogen 3.070 N/A GLU 134.A N VAL 130.A O no hydrogen 2.846 N/A ARG 135.A N LEU 131.A O no hydrogen 2.793 N/A ARG 135.A NH1 TYR 223.A OH no hydrogen 3.430 N/A TYR 136.A N ALA 132.A O no hydrogen 2.939 N/A TYR 136.A N ILE 133.A O no hydrogen 3.062 N/A VAL 137.A N ILE 133.A O no hydrogen 2.914 N/A VAL 138.A N GLU 134.A O no hydrogen 2.955 N/A VAL 139.A N ARG 135.A O no hydrogen 3.364 N/A CYS 140.A N TYR 136.A O no hydrogen 2.863 N/A CYS 140.A SG THR 229.A OG1 no hydrogen 3.478 N/A GLY 149.A N HIS 152.A ND1 no hydrogen 3.227 N/A HIS 152.A N GLY 149.A O no hydrogen 3.135 N/A ALA 153.A N GLY 149.A O no hydrogen 3.231 N/A ILE 154.A N GLU 150.A O no hydrogen 3.232 N/A MET 155.A N ASN 151.A O no hydrogen 3.417 N/A GLY 156.A N HIS 152.A O no hydrogen 2.889 N/A VAL 157.A N ALA 153.A O no hydrogen 2.991 N/A ALA 158.A N ILE 154.A O no hydrogen 2.862 N/A PHE 159.A N MET 155.A O no hydrogen 2.695 N/A THR 160.A N VAL 157.A O no hydrogen 2.961 N/A TRP 161.A N VAL 157.A O no hydrogen 3.276 N/A TRP 161.A NE1.A ASN 78.A OD1 no hydrogen 2.918 N/A TRP 161.A NE1.B ASN 78.A OD1 no hydrogen 2.942 N/A VAL 162.A N ALA 158.A O no hydrogen 2.968 N/A MET 163.A N PHE 159.A O no hydrogen 3.113 N/A ALA 164.A N THR 160.A O no hydrogen 3.239 N/A LEU 165.A N TRP 161.A O no hydrogen 3.092 N/A ALA 166.A N VAL 162.A O no hydrogen 3.013 N/A CYS 167.A N ALA 164.A O no hydrogen 2.693 N/A CYS 167.A SG GLU 122.A OE1 no hydrogen 3.449 N/A CYS 167.A SG MET 163.A O no hydrogen 3.948 N/A CYS 167.A SG ALA 164.A O no hydrogen 3.476 N/A ALA 168.A N ALA 164.A O no hydrogen 2.868 N/A ALA 169.A N LEU 165.A O no hydrogen 3.076 N/A LEU 172.A N ALA 169.A O no hydrogen 3.050 N/A VAL 173.A N PRO 170.A O no hydrogen 2.882 N/A TRP 175.A N PRO 170.A O no hydrogen 3.222 N/A TRP 175.A NE1 SER 202.A OG no hydrogen 2.729 N/A SER 176.A N THR 198.A O no hydrogen 3.056 N/A SER 176.A OG ASP 190.A O no hydrogen 3.104 N/A ARG 177.A N SER 176.A OG no hydrogen 2.681 N/A ARG 177.A NH1 ASP 190.A OD2 no hydrogen 2.493 N/A TYR 178.A OH ALA 168.A O no hydrogen 2.528 N/A ILE 179.A N GLY 188.A O no hydrogen 3.286 N/A GLU 181.A N SER 186.A O no hydrogen 2.811 N/A GLN 184.A N GLU 181.A O no hydrogen 2.661 N/A GLN 184.A NE2 GLY 182.A O no hydrogen 2.954 N/A CYS 185.A SG THR 97.A O no hydrogen 3.967 N/A CYS 185.A SG MET 183.A O no hydrogen 3.616 N/A CYS 187.A N GLN 113.A OE1 no hydrogen 2.776 N/A GLY 188.A N ILE 179.A O no hydrogen 3.208 N/A ASP 190.A N ARG 177.A O no hydrogen 2.935 N/A TYR 192.A N ASP 190.A OD1 no hydrogen 3.296 N/A THR 193.A N ASP 190.A OD1 no hydrogen 3.072 N/A HIS 195.A ND1 THR 198.A OG1 no hydrogen 2.986 N/A GLU 197.A N GLU 197.A OE1 no hydrogen 2.501 N/A THR 198.A N HIS 195.A O no hydrogen 2.869 N/A THR 198.A OG1 HIS 195.A ND1 no hydrogen 2.986 N/A THR 198.A OG1 HIS 195.A O no hydrogen 3.049 N/A THR 198.A OG1 ASN 200.A OD1 no hydrogen 2.716 N/A ASN 199.A N HIS 195.A O no hydrogen 3.368 N/A ASN 200.A ND2 THR 193.A O no hydrogen 2.907 N/A SER 202.A OG ASN 199.A O no hydrogen 3.211 N/A PHE 203.A N ASN 199.A O no hydrogen 3.411 N/A VAL 204.A N ASN 200.A O no hydrogen 2.984 N/A ILE 205.A N GLU 201.A O no hydrogen 3.183 N/A TYR 206.A N SER 202.A O no hydrogen 2.951 N/A TYR 206.A OH ALA 166.A O no hydrogen 2.265 N/A MET 207.A N PHE 203.A O no hydrogen 2.768 N/A PHE 208.A N VAL 204.A O no hydrogen 2.877 N/A VAL 209.A N ILE 205.A O no hydrogen 2.582 N/A VAL 210.A N TYR 206.A O no hydrogen 2.785 N/A HIS 211.A N MET 207.A O no hydrogen 2.870 N/A HIS 211.A ND1 GLU 122.A OE1 no hydrogen 3.078 N/A HIS 211.A NE2 TYR 206.A OH no hydrogen 2.917 N/A ILE 213.A N PHE 208.A O no hydrogen 2.969 N/A ILE 214.A N VAL 209.A O no hydrogen 3.070 N/A LEU 216.A N PHE 212.A O no hydrogen 3.101 N/A ILE 217.A N ILE 213.A O no hydrogen 2.809 N/A VAL 218.A N ILE 214.A O no hydrogen 2.952 N/A ILE 219.A N PRO 215.A O no hydrogen 2.983 N/A PHE 220.A N LEU 216.A O no hydrogen 2.909 N/A PHE 221.A N ILE 217.A O no hydrogen 2.708 N/A CYS 222.A N VAL 218.A O no hydrogen 2.844 N/A CYS 222.A SG VAL 218.A O no hydrogen 3.541 N/A TYR 223.A N ILE 219.A O no hydrogen 3.059 N/A GLY 224.A N PHE 220.A O no hydrogen 2.837 N/A GLN 225.A N PHE 221.A O no hydrogen 2.825 N/A LEU 226.A N CYS 222.A O no hydrogen 3.026 N/A VAL 227.A N TYR 223.A O no hydrogen 2.974 N/A PHE 228.A N GLY 224.A O no hydrogen 2.918 N/A THR 229.A N GLN 225.A O no hydrogen 2.767 N/A THR 229.A OG1 GLN 225.A O no hydrogen 3.192 N/A VAL 230.A N LEU 226.A O no hydrogen 3.079 N/A LYS 231.A N VAL 227.A O no hydrogen 3.238 N/A LYS 231.A NZ GLU 247.A OE2 no hydrogen 2.529 N/A GLU 232.A N PHE 228.A O no hydrogen 3.111 N/A ALA 233.A N THR 229.A O no hydrogen 3.160 N/A ALA 234.A N VAL 230.A O no hydrogen 3.238 N/A ALA 235.A N LYS 231.A O no hydrogen 3.306 N/A GLN 236.A N GLU 232.A O no hydrogen 3.038 N/A GLN 237.A N ALA 234.A O no hydrogen 3.387 N/A GLU 239.A N GLU 239.A OE1 no hydrogen 2.835 N/A SER 240.A N GLN 237.A O no hydrogen 3.226 N/A SER 240.A OG THR 243.A OG1 no hydrogen 3.213 N/A THR 243.A N SER 240.A OG no hydrogen 3.402 N/A THR 243.A OG1 SER 240.A OG no hydrogen 3.213 N/A GLN 244.A N ALA 241.A O no hydrogen 3.076 N/A GLN 244.A NE2 ALA 234.A O no hydrogen 2.976 N/A GLN 244.A NE2 GLN 237.A O no hydrogen 3.528 N/A GLN 244.A NE2 SER 240.A O no hydrogen 3.565 N/A LYS 245.A N ALA 241.A O no hydrogen 3.039 N/A ALA 246.A N THR 242.A O no hydrogen 2.982 N/A GLU 247.A N THR 243.A O no hydrogen 3.428 N/A LYS 248.A N GLN 244.A O no hydrogen 3.265 N/A GLU 249.A N LYS 245.A O no hydrogen 2.785 N/A VAL 250.A N ALA 246.A O no hydrogen 2.998 N/A THR 251.A N GLU 247.A O no hydrogen 3.253 N/A THR 251.A OG1 GLU 247.A O no hydrogen 3.011 N/A ARG 252.A N LYS 248.A O no hydrogen 3.087 N/A ARG 252.A NH2 GLU 249.A OE2 no hydrogen 2.612 N/A MET 253.A N GLU 249.A O no hydrogen 2.952 N/A VAL 254.A N VAL 250.A O no hydrogen 3.026 N/A ILE 255.A N THR 251.A O no hydrogen 2.999 N/A ILE 256.A N ARG 252.A O no hydrogen 3.091 N/A MET 257.A N MET 253.A O no hydrogen 2.759 N/A VAL 258.A N VAL 254.A O no hydrogen 2.916 N/A ILE 259.A N ILE 255.A O no hydrogen 2.872 N/A ALA 260.A N ILE 256.A O no hydrogen 3.085 N/A PHE 261.A N MET 257.A O no hydrogen 3.299 N/A PHE 261.A N VAL 258.A O no hydrogen 2.891 N/A LEU 262.A N VAL 258.A O no hydrogen 3.116 N/A ILE 263.A N ILE 259.A O no hydrogen 3.038 N/A CYS 264.A N PHE 261.A O no hydrogen 3.320 N/A TRP 265.A N PHE 261.A O no hydrogen 3.185 N/A TRP 265.A N LEU 262.A O no hydrogen 3.207 N/A LEU 266.A N LEU 262.A O no hydrogen 2.719 N/A ALA 269.A N TRP 265.A O no hydrogen 2.867 N/A GLY 270.A N LEU 266.A O no hydrogen 2.607 N/A VAL 271.A N PRO 267.A O no hydrogen 2.803 N/A ALA 272.A N TYR 268.A O no hydrogen 2.940 N/A PHE 273.A N ALA 269.A O no hydrogen 2.893 N/A TYR 274.A N GLY 270.A O no hydrogen 3.178 N/A ILE 275.A N VAL 271.A O no hydrogen 2.806 N/A PHE 276.A N ALA 272.A O no hydrogen 3.107 N/A THR 277.A N PHE 273.A O no hydrogen 3.018 N/A THR 277.A OG1 PHE 273.A O no hydrogen 3.254 N/A THR 277.A OG1 HIS 278.A ND1 no hydrogen 3.254 N/A HIS 278.A N ILE 275.A O no hydrogen 3.210 N/A HIS 278.A ND1 THR 277.A OG1 no hydrogen 3.254 N/A SER 281.A OG HIS 278.A O no hydrogen 3.552 N/A MET 288.A N GLY 284.A O no hydrogen 3.149 N/A MET 288.A N PRO 285.A O no hydrogen 2.884 N/A THR 289.A N PRO 285.A O no hydrogen 2.837 N/A THR 289.A OG1 PRO 285.A O no hydrogen 3.492 N/A PHE 293.A N THR 289.A O no hydrogen 3.060 N/A PHE 294.A N ILE 290.A O no hydrogen 3.304 N/A ALA 295.A N PRO 291.A O no hydrogen 3.184 N/A LYS 296.A N ALA 292.A O no hydrogen 3.175 N/A THR 297.A N PHE 293.A O no hydrogen 3.323 N/A THR 297.A OG1 TYR 43.A OH no hydrogen 2.754 N/A THR 297.A OG1 PHE 293.A O no hydrogen 2.890 N/A SER 298.A OG ALA 295.A O no hydrogen 2.895 N/A ALA 299.A N LYS 296.A O no hydrogen 3.102 N/A VAL 300.A N THR 297.A O no hydrogen 2.999 N/A TYR 301.A N THR 297.A O no hydrogen 3.130 N/A TYR 301.A OH PHE 294.A O no hydrogen 3.381 N/A ASN 302.A N SER 298.A O no hydrogen 3.120 N/A VAL 304.A N VAL 300.A O no hydrogen 3.375 N/A ILE 305.A N TYR 301.A O no hydrogen 3.132 N/A TYR 306.A N ASN 302.A O no hydrogen 2.868 N/A ILE 307.A N PRO 303.A O no hydrogen 2.858 N/A MET 308.A N PRO 303.A O no hydrogen 2.925 N/A ASN 310.A N ILE 307.A O no hydrogen 2.995 N/A PHE 313.A N ASN 310.A OD1 no hydrogen 3.171 N/A ARG 314.A N ASN 310.A O no hydrogen 2.917 N/A ARG 314.A NH1 MET 308.A O no hydrogen 3.422 N/A ASN 315.A N LYS 311.A O no hydrogen 3.325 N/A CYS 316.A N GLN 312.A O no hydrogen 3.487 N/A CYS 316.A SG HIS 65.A ND1 no hydrogen 3.220 N/A CYS 316.A SG GLN 312.A O no hydrogen 3.494 N/A MET 317.A N PHE 313.A O no hydrogen 3.067 N/A VAL 318.A N ARG 314.A O no hydrogen 3.038 N/A THR 319.A N ASN 315.A O no hydrogen 2.924 N/A THR 319.A OG1 ASN 315.A O no hydrogen 3.290 N/A THR 320.A N CYS 316.A O no hydrogen 2.960 N/A THR 320.A OG1 HIS 65.A NE2 no hydrogen 3.308 N/A THR 320.A OG1 CYS 316.A O no hydrogen 3.147 N/A LEU 321.A N MET 317.A O no hydrogen 2.776 N/A CYS 322.A N VAL 318.A O no hydrogen 2.917 N/A CYS 322.A SG VAL 318.A O no hydrogen 3.088 N/A CYS 323.A N THR 320.A O no hydrogen 3.366 N/A GLY 324.A N THR 319.A O no hydrogen 3.114 N/A LYS 325.A N CYS 322.A O no hydrogen 3.177 N/A