Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4loo_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): TYR 5.A N VAL 16.A O no hydrogen 2.871 N/A TYR 5.A OH TYR 20.A O no hydrogen 2.538 N/A GLN 7.A N TRP 14.A O no hydrogen 2.964 N/A LEU 9.A N THR 12.A O no hydrogen 2.686 N/A THR 12.A N LEU 9.A O no hydrogen 3.310 N/A THR 12.A OG1 ILE 13.A O no hydrogen 3.498 N/A TRP 14.A N GLN 7.A O no hydrogen 2.744 N/A GLU 15.A N TYR 99.A OH no hydrogen 2.995 N/A VAL 16.A N TYR 5.A O no hydrogen 2.953 N/A GLU 18.A N THR 3.A O no hydrogen 3.088 N/A ARG 19.A NE ASP 39.A OD1 no hydrogen 2.879 N/A ARG 19.A NH2 ASP 39.A OD1 no hydrogen 3.492 N/A ARG 19.A NH2 ASP 39.A OD2 no hydrogen 2.740 N/A TYR 20.A N PRO 17.A O no hydrogen 3.058 N/A TYR 20.A OH ASP 84.A OD2 no hydrogen 2.667 N/A GLN 21.A N PHE 38.A O no hydrogen 2.898 N/A GLN 21.A NE2 GLU 18.A O no hydrogen 2.762 N/A SER 24.A N ALA 36.A O no hydrogen 2.811 N/A VAL 26.A N VAL 34.A O no hydrogen 2.992 N/A GLY 29.A N GLY 32.A O no hydrogen 2.774 N/A GLY 32.A N GLY 29.A O no hydrogen 2.896 N/A SER 33.A N LYS 50.A O no hydrogen 3.285 N/A VAL 34.A N GLY 27.A O no hydrogen 2.835 N/A CYS 35.A N VAL 48.A O no hydrogen 2.902 N/A ALA 36.A N SER 24.A O no hydrogen 2.714 N/A ALA 37.A N VAL 46.A O no hydrogen 2.779 N/A PHE 38.A N GLN 21.A O no hydrogen 2.962 N/A ASP 39.A N HIS 44.A O no hydrogen 2.924 N/A THR 40.A N ARG 19.A O no hydrogen 2.846 N/A LYS 41.A N ASP 39.A OD1 no hydrogen 3.076 N/A THR 42.A N ASP 39.A O no hydrogen 3.142 N/A THR 42.A OG1 ASP 39.A OD2 no hydrogen 2.830 N/A THR 42.A OG1 HIS 44.A ND1 no hydrogen 3.051 N/A GLY 43.A N ASP 39.A O no hydrogen 2.873 N/A HIS 44.A N THR 42.A OG1 no hydrogen 3.221 N/A VAL 46.A N ALA 37.A O no hydrogen 2.800 N/A ALA 47.A N THR 102.A O no hydrogen 2.674 N/A VAL 48.A N CYS 35.A O no hydrogen 2.804 N/A LYS 49.A N LEU 100.A O no hydrogen 2.828 N/A LYS 49.A NZ ALA 30.A O no hydrogen 2.774 N/A LYS 49.A NZ GLU 67.A OE1 no hydrogen 3.303 N/A LYS 49.A NZ GLU 67.A OE2 no hydrogen 2.741 N/A LYS 50.A N SER 33.A O no hydrogen 3.007 N/A LYS 50.A NZ THR 12.A OG1 no hydrogen 3.198 N/A LEU 51.A N VAL 98.A O no hydrogen 2.975 N/A SER 52.A N TYR 31.A O no hydrogen 2.658 N/A GLN 56.A N ARG 53.A O no hydrogen 3.425 N/A HIS 60.A N SER 57.A OG no hydrogen 3.134 N/A ALA 61.A N SER 57.A O no hydrogen 2.785 N/A LYS 62.A N ILE 58.A O no hydrogen 2.899 N/A LYS 62.A NZ GLU 324.A O no hydrogen 2.951 N/A LYS 62.A NZ ARG 326.A O no hydrogen 3.496 N/A ARG 63.A N ILE 59.A O no hydrogen 3.085 N/A THR 64.A N HIS 60.A O no hydrogen 2.843 N/A THR 64.A OG1 PRO 54.A O no hydrogen 3.156 N/A THR 64.A OG1 HIS 60.A O no hydrogen 2.960 N/A TYR 65.A N ALA 61.A O no hydrogen 3.162 N/A ARG 66.A N LYS 62.A O no hydrogen 2.930 N/A ARG 66.A NE GLU 324.A OE1 no hydrogen 3.406 N/A ARG 66.A NE GLU 324.A OE2 no hydrogen 2.794 N/A ARG 66.A NH1 GLU 324.A OE1 no hydrogen 2.690 N/A GLU 67.A N ARG 63.A O no hydrogen 2.940 N/A LEU 68.A N THR 64.A O no hydrogen 3.041 N/A ARG 69.A N TYR 65.A O no hydrogen 2.874 N/A ARG 69.A NH1 ASP 320.A O no hydrogen 2.759 N/A ARG 69.A NH2 TYR 65.A OH no hydrogen 2.878 N/A LEU 70.A N ARG 66.A O no hydrogen 3.021 N/A LEU 71.A N GLU 67.A O no hydrogen 2.882 N/A LYS 72.A N LEU 68.A O no hydrogen 2.927 N/A LYS 72.A NZ GLU 340.A O no hydrogen 2.752 N/A LYS 72.A NZ GLU 340.A OE1 no hydrogen 2.843 N/A HIS 73.A N ARG 69.A O no hydrogen 3.248 N/A HIS 73.A N LEU 70.A O no hydrogen 2.973 N/A HIS 73.A NE2 ASP 317.A O no hydrogen 2.865 N/A MET 74.A N LEU 70.A O no hydrogen 3.120 N/A LYS 75.A N TYR 136.A OH no hydrogen 2.806 N/A LYS 75.A NZ LYS 72.A O no hydrogen 3.145 N/A GLU 77.A N GLU 77.A OE2 no hydrogen 2.750 N/A ASN 78.A N HIS 76.A ND1 no hydrogen 3.018 N/A ASN 78.A ND2 LEU 160.A O no hydrogen 2.907 N/A VAL 79.A N HIS 76.A O no hydrogen 3.498 N/A ILE 80.A N ILE 162.A O no hydrogen 2.978 N/A LEU 83.A N VAL 101.A O no hydrogen 2.731 N/A ASP 84.A N VAL 101.A O no hydrogen 3.416 N/A PHE 86.A N TYR 99.A O no hydrogen 2.941 N/A THR 87.A OG1 ASP 97.A O no hydrogen 2.833 N/A ALA 89.A N THR 87.A OG1 no hydrogen 3.345 N/A ARG 90.A N GLU 94.A OE2 no hydrogen 2.882 N/A SER 91.A OG GLU 93.A OE1 no hydrogen 2.886 N/A GLU 94.A N SER 91.A O no hydrogen 2.935 N/A PHE 95.A N LEU 92.A O no hydrogen 3.014 N/A TYR 99.A N PHE 86.A O no hydrogen 2.943 N/A LEU 100.A N LYS 49.A O no hydrogen 2.822 N/A VAL 101.A N ASP 84.A O no hydrogen 2.909 N/A THR 102.A N ALA 47.A O no hydrogen 3.020 N/A THR 102.A OG1 GLY 81.A O no hydrogen 2.581 N/A LEU 104.A N ARG 45.A O no hydrogen 3.021 N/A GLY 106.A N ASN 155.A OD1 no hydrogen 2.591 N/A ALA 107.A N VAL 154.A O no hydrogen 2.845 N/A LEU 109.A N LEU 152.A O no hydrogen 3.018 N/A ASN 110.A ND2 ASN 111.A OD1 no hydrogen 3.545 N/A ASN 111.A N ASP 108.A OD1 no hydrogen 3.087 N/A ILE 112.A N ASP 108.A O no hydrogen 3.099 N/A VAL 113.A N LEU 109.A O no hydrogen 2.911 N/A LYS 114.A N ASN 110.A O no hydrogen 3.292 N/A CYS 115.A N ILE 112.A O no hydrogen 3.052 N/A CYS 115.A SG ASN 111.A O no hydrogen 3.417 N/A GLN 116.A N ILE 112.A O no hydrogen 3.278 N/A GLN 116.A NE2 ILE 112.A O no hydrogen 3.619 N/A THR 119.A N HIS 122.A ND1 no hydrogen 3.250 N/A THR 119.A OG1 HIS 122.A ND1 no hydrogen 3.227 N/A HIS 122.A N THR 119.A OG1 no hydrogen 3.241 N/A VAL 123.A N THR 119.A O no hydrogen 3.077 N/A GLN 124.A N ASP 120.A O no hydrogen 2.869 N/A PHE 125.A N ASP 121.A O no hydrogen 3.328 N/A LEU 126.A N HIS 122.A O no hydrogen 2.936 N/A ILE 127.A N VAL 123.A O no hydrogen 2.867 N/A TYR 128.A N GLN 124.A O no hydrogen 3.160 N/A TYR 128.A OH GLU 313.A OE2 no hydrogen 2.335 N/A GLN 129.A N PHE 125.A O no hydrogen 3.109 N/A GLN 129.A NE2 PHE 125.A O no hydrogen 3.281 N/A GLN 129.A NE2 CYS 158.A O no hydrogen 2.728 N/A ILE 130.A N LEU 126.A O no hydrogen 3.122 N/A LEU 131.A N ILE 127.A O no hydrogen 2.935 N/A ARG 132.A N TYR 128.A O no hydrogen 2.896 N/A ARG 132.A NE ASP 312.A O no hydrogen 2.811 N/A ARG 132.A NH1 ASN 78.A OD1 no hydrogen 2.846 N/A ARG 132.A NH2 GLU 77.A OE1 no hydrogen 3.285 N/A ARG 132.A NH2 GLU 77.A OE2 no hydrogen 3.447 N/A ARG 132.A NH2 ASP 312.A O no hydrogen 3.024 N/A ARG 132.A NH2 ASP 312.A OD1 no hydrogen 3.398 N/A GLY 133.A N GLN 129.A O no hydrogen 3.082 N/A LEU 134.A N ILE 130.A O no hydrogen 2.973 N/A LYS 135.A N LEU 131.A O no hydrogen 2.855 N/A LYS 135.A NZ GLU 313.A O no hydrogen 2.857 N/A TYR 136.A N ARG 132.A O no hydrogen 3.357 N/A TYR 136.A OH HIS 73.A O no hydrogen 3.356 N/A ILE 137.A N GLY 133.A O no hydrogen 2.930 N/A HIS 138.A N LEU 134.A O no hydrogen 2.857 N/A HIS 138.A NE2 ASP 201.A OD2 no hydrogen 2.645 N/A SER 139.A N LYS 135.A O no hydrogen 2.977 N/A SER 139.A OG LYS 135.A O no hydrogen 3.469 N/A SER 139.A OG TYR 136.A O no hydrogen 2.464 N/A ALA 140.A N ILE 137.A O no hydrogen 3.119 N/A ASP 141.A N HIS 138.A O no hydrogen 2.909 N/A ILE 142.A N ILE 137.A O no hydrogen 3.222 N/A HIS 144.A N ASP 201.A OD2 no hydrogen 2.872 N/A HIS 144.A NE2 LEU 163.A O no hydrogen 2.851 N/A ARG 145.A N ASP 201.A OD1 no hydrogen 2.932 N/A ARG 145.A NE TYR 196.A OH no hydrogen 2.847 N/A ASP 146.A N HIS 144.A ND1 no hydrogen 2.968 N/A LYS 148.A NZ GLY 177.A O no hydrogen 2.877 N/A LYS 148.A NZ THR 181.A OG1 no hydrogen 2.745 N/A ASN 151.A N LYS 148.A O no hydrogen 2.836 N/A ASN 151.A ND2 ASP 146.A O no hydrogen 2.607 N/A ASN 151.A ND2 ASP 146.A OD2 no hydrogen 3.535 N/A LEU 152.A N PRO 149.A O no hydrogen 3.174 N/A ALA 153.A N LYS 161.A O no hydrogen 2.791 N/A VAL 154.A N ALA 107.A O no hydrogen 2.853 N/A ASN 155.A N GLU 159.A O no hydrogen 2.941 N/A CYS 158.A N ASN 155.A O no hydrogen 2.825 N/A GLU 159.A N ASP 157.A OD1 no hydrogen 3.200 N/A LEU 160.A N GLN 129.A OE1 no hydrogen 2.814 N/A LYS 161.A N ALA 153.A O no hydrogen 2.882 N/A ILE 162.A N ASN 78.A O no hydrogen 2.732 N/A LEU 163.A N ASN 151.A O no hydrogen 3.000 N/A GLY 166.A N HIS 144.A O no hydrogen 3.315 N/A HIS 170.A ND1 ASP 173.A OD1.A no hydrogen 2.583 N/A ASP 173.A N HIS 170.A O no hydrogen 3.297 N/A THR 181.A N GLY 177.A O no hydrogen 2.989 N/A THR 181.A OG1 ASP 146.A OD1 no hydrogen 2.511 N/A THR 181.A OG1 GLY 177.A O no hydrogen 2.959 N/A ARG 182.A N TYR 178.A O no hydrogen 3.129 N/A TRP 183.A N ALA 180.A O no hydrogen 2.892 N/A TRP 183.A NE1 GLY 221.A O no hydrogen 3.063 N/A TYR 184.A N THR 181.A O no hydrogen 3.030 N/A TYR 184.A OH GLU 211.A OE1 no hydrogen 2.519 N/A TYR 184.A OH GLU 211.A OE2 no hydrogen 3.406 N/A ARG 185.A N ARG 182.A O no hydrogen 3.092 N/A ARG 185.A NH1 ARG 145.A O no hydrogen 2.914 N/A GLU 188.A N GLU 188.A OE1 no hydrogen 2.779 N/A ILE 189.A N ALA 186.A O no hydrogen 3.056 N/A MET 190.A N ALA 186.A O no hydrogen 3.318 N/A LEU 191.A N PRO 187.A O no hydrogen 3.042 N/A ASN 192.A N ILE 189.A O no hydrogen 2.916 N/A TRP 193.A N GLU 188.A O no hydrogen 2.959 N/A HIS 195.A ND1 TYR 196.A O no hydrogen 3.254 N/A THR 199.A N ASN 197.A OD1 no hydrogen 3.137 N/A THR 199.A OG1 ASN 197.A OD1 no hydrogen 2.604 N/A THR 199.A OG1 SER 289.A OG no hydrogen 2.643 N/A VAL 200.A N ASN 197.A O no hydrogen 3.325 N/A ASP 201.A N GLN 198.A O no hydrogen 3.067 N/A ILE 202.A N THR 199.A O no hydrogen 3.108 N/A TRP 203.A N THR 199.A O no hydrogen 3.442 N/A SER 204.A N VAL 200.A O no hydrogen 3.343 N/A SER 204.A OG TYR 184.A O no hydrogen 2.766 N/A SER 204.A OG VAL 200.A O no hydrogen 3.346 N/A VAL 205.A N ASP 201.A O no hydrogen 3.095 N/A GLY 206.A N ILE 202.A O no hydrogen 2.931 N/A CYS 207.A N TRP 203.A O no hydrogen 3.144 N/A CYS 207.A SG TRP 203.A O no hydrogen 3.490 N/A ILE 208.A N SER 204.A O no hydrogen 2.927 N/A MET 209.A N VAL 205.A O no hydrogen 2.719 N/A ALA 210.A N GLY 206.A O no hydrogen 2.952 N/A GLU 211.A N CYS 207.A O no hydrogen 3.052 N/A LEU 212.A N ILE 208.A O no hydrogen 2.818 N/A LEU 213.A N MET 209.A O no hydrogen 2.998 N/A THR 214.A N ALA 210.A O no hydrogen 3.108 N/A THR 214.A OG1 ALA 210.A O no hydrogen 3.044 N/A GLY 215.A N GLU 211.A O no hydrogen 2.630 N/A ARG 216.A N THR 214.A OG1 no hydrogen 3.094 N/A GLY 221.A N PHE 219.A O no hydrogen 2.907 N/A THR 222.A N ASP 226.A OD2 no hydrogen 2.808 N/A THR 222.A OG1 ASP 223.A OD2 no hydrogen 2.931 N/A THR 222.A OG1 ASP 226.A OD2 no hydrogen 3.043 N/A HIS 224.A NE2 TYR 178.A OH no hydrogen 2.774 N/A ASP 226.A N ASP 223.A OD1 no hydrogen 2.958 N/A GLN 227.A N ASP 223.A O no hydrogen 2.809 N/A GLN 227.A NE2 TRP 183.A O no hydrogen 3.540 N/A GLN 227.A NE2 PHE 219.A O no hydrogen 2.949 N/A LEU 228.A N HIS 224.A O no hydrogen 3.067 N/A LYS 229.A N ILE 225.A O no hydrogen 2.758 N/A LYS 229.A NZ ASP 226.A OD1 no hydrogen 2.774 N/A LEU 230.A N ASP 226.A O no hydrogen 2.917 N/A ILE 231.A N GLN 227.A O no hydrogen 3.026 N/A LEU 232.A N LEU 228.A O no hydrogen 2.992 N/A ARG 233.A N LYS 229.A O no hydrogen 2.954 N/A LEU 234.A N ILE 231.A O no hydrogen 2.872 N/A VAL 235.A N ILE 231.A O no hydrogen 3.053 N/A GLY 236.A N LEU 232.A O no hydrogen 2.894 N/A THR 237.A N MET 261.A O no hydrogen 2.940 N/A THR 237.A OG1 MET 261.A O no hydrogen 3.172 N/A LYS 245.A N LEU 242.A O no hydrogen 2.869 N/A LYS 245.A NZ ASP 288.A OD1 no hydrogen 3.204 N/A LYS 245.A NZ ASP 290.A OD2 no hydrogen 3.191 N/A SER 247.A OG TRP 193.A O no hydrogen 3.210 N/A SER 248.A N TRP 193.A O no hydrogen 3.395 N/A ARG 252.A N SER 248.A O no hydrogen 2.993 N/A ASN 253.A N GLU 249.A O no hydrogen 3.182 N/A TYR 254.A N SER 250.A O no hydrogen 3.185 N/A ILE 255.A N ALA 251.A O no hydrogen 2.693 N/A GLN 256.A N ARG 252.A O no hydrogen 3.048 N/A SER 257.A N ASN 253.A O no hydrogen 3.242 N/A SER 257.A OG TYR 254.A O no hydrogen 2.298 N/A LEU 258.A N ILE 255.A O no hydrogen 2.773 N/A LYS 263.A NZ MET 264.A O no hydrogen 3.369 N/A LYS 263.A NZ GLU 282.A OE1 no hydrogen 3.469 N/A LYS 263.A NZ GLU 282.A OE2 no hydrogen 2.546 N/A MET 264.A N LEU 234.A O no hydrogen 3.122 N/A PHE 266.A N GLU 282.A OE1 no hydrogen 3.148 N/A ALA 267.A N ASN 265.A OD1.B no hydrogen 2.901 N/A ASN 268.A N ASN 265.A O no hydrogen 3.022 N/A VAL 269.A N PHE 266.A O no hydrogen 2.876 N/A PHE 270.A N PHE 266.A O no hydrogen 2.927 N/A ILE 271.A N VAL 269.A O no hydrogen 3.152 N/A ALA 273.A N PHE 270.A O no hydrogen 3.247 N/A ASN 274.A ND2 ASP 120.A OD2 no hydrogen 2.958 N/A LEU 276.A N ASN 274.A OD1 no hydrogen 3.041 N/A VAL 278.A N ASN 274.A O no hydrogen 3.038 N/A ASP 279.A N PRO 275.A O no hydrogen 2.982 N/A LEU 280.A N LEU 276.A O no hydrogen 2.988 N/A LEU 281.A N ALA 277.A O no hydrogen 3.028 N/A GLU 282.A N VAL 278.A O no hydrogen 3.092 N/A LYS 283.A N ASP 279.A O no hydrogen 3.369 N/A LYS 283.A N LEU 280.A O no hydrogen 2.880 N/A LYS 283.A NZ ASP 279.A OD2 no hydrogen 2.786 N/A MET 284.A N LEU 280.A O no hydrogen 3.017 N/A MET 284.A N LEU 281.A O no hydrogen 3.161 N/A LEU 285.A N LEU 281.A O no hydrogen 2.975 N/A SER 289.A OG THR 199.A OG1 no hydrogen 2.643 N/A LYS 291.A N ASP 288.A O no hydrogen 2.554 N/A ARG 292.A N SER 289.A O no hydrogen 3.335 N/A ARG 292.A NE VAL 286.A O no hydrogen 2.813 N/A ARG 292.A NH1 GLU 188.A OE2 no hydrogen 2.912 N/A ARG 292.A NH1 THR 199.A O no hydrogen 3.192 N/A ARG 292.A NH2 GLU 188.A OE1 no hydrogen 3.109 N/A ARG 292.A NH2 GLU 188.A OE2 no hydrogen 3.539 N/A ARG 292.A NH2 VAL 286.A O no hydrogen 3.292 N/A ILE 293.A N LYS 283.A O no hydrogen 3.229 N/A THR 294.A N GLN 297.A OE1 no hydrogen 3.127 N/A GLN 297.A N THR 294.A OG1 no hydrogen 3.003 N/A ALA 298.A N THR 294.A O no hydrogen 2.930 N/A LEU 299.A N ALA 295.A O no hydrogen 3.145 N/A ALA 300.A N GLN 297.A O no hydrogen 3.132 N/A HIS 301.A N ALA 298.A O no hydrogen 3.023 N/A HIS 301.A NE2 ASP 279.A OD2 no hydrogen 2.729 N/A TYR 303.A N HIS 301.A ND1 no hydrogen 3.309 N/A TYR 303.A OH ASP 120.A OD1 no hydrogen 2.873 N/A PHE 304.A N HIS 301.A O no hydrogen 2.977 N/A ALA 305.A N ALA 302.A O no hydrogen 3.031 N/A TYR 307.A N PHE 304.A O no hydrogen 2.763 N/A HIS 308.A N PHE 304.A O no hydrogen 2.926 N/A HIS 308.A ND1 GLU 313.A OE2 no hydrogen 2.962 N/A ASP 309.A N GLU 313.A OE2 no hydrogen 3.109 N/A ASP 311.A N ASP 309.A OD1 no hydrogen 3.008 N/A ASP 312.A N ASP 309.A O no hydrogen 2.879 N/A ALA 316.A N SER 139.A OG no hydrogen 2.869 N/A GLN 321.A NE2 ASP 141.A O no hydrogen 2.914 N/A SER 322.A N ASP 320.A OD1 no hydrogen 3.073 N/A SER 322.A OG ASP 320.A OD1 no hydrogen 2.975 N/A GLU 324.A N GLN 321.A O no hydrogen 3.072 N/A SER 325.A OG SER 322.A O no hydrogen 3.238 N/A ARG 326.A N PHE 323.A O no hydrogen 3.091 N/A GLU 332.A N LEU 329.A O no hydrogen 3.064 N/A TRP 333.A N LEU 329.A O no hydrogen 3.169 N/A LYS 334.A N ILE 330.A O no hydrogen 2.893 N/A LYS 334.A NZ PHE 95.A O no hydrogen 2.740 N/A LYS 334.A NZ ASN 96.A OD1 no hydrogen 3.452 N/A SER 335.A N ASP 331.A O no hydrogen 3.184 N/A LEU 336.A N GLU 332.A O no hydrogen 3.104 N/A THR 337.A N TRP 333.A O no hydrogen 3.074 N/A THR 337.A OG1 TRP 333.A O no hydrogen 2.800 N/A TYR 338.A N LYS 334.A O no hydrogen 2.848 N/A ASP 339.A N SER 335.A O no hydrogen 2.988 N/A GLU 340.A N LEU 336.A O no hydrogen 3.208 N/A VAL 341.A N THR 337.A O no hydrogen 2.991 N/A ILE 342.A N TYR 338.A O no hydrogen 2.901 N/A SER 343.A N ASP 339.A O no hydrogen 2.720 N/A SER 343.A OG ASP 339.A O no hydrogen 3.115 N/A PHE 344.A N VAL 341.A O no hydrogen 3.447 N/A