Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4py9_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): THR 2.A N GLU 181.A OE1 no hydrogen 3.191 N/A THR 2.A OG1 GLU 181.A OE2 no hydrogen 2.599 N/A GLN 7.A NE2 ASP 11.A OD1 no hydrogen 3.025 N/A ILE 10.A N ALA 6.A O no hydrogen 3.072 N/A ASP 11.A N GLN 7.A O no hydrogen 2.745 N/A HIS 12.A N ALA 8.A O no hydrogen 2.957 N/A PHE 13.A N HIS 9.A O no hydrogen 3.102 N/A THR 14.A N ILE 10.A O no hydrogen 3.092 N/A THR 14.A OG1 ILE 10.A O no hydrogen 2.612 N/A LYS 15.A N ASP 11.A O no hydrogen 3.243 N/A TRP 16.A N HIS 12.A O no hydrogen 3.225 N/A PHE 17.A N PHE 13.A O no hydrogen 2.677 N/A GLU 18.A N THR 14.A O no hydrogen 2.970 N/A ARG 19.A N LYS 15.A O no hydrogen 3.181 N/A ALA 20.A N TRP 16.A O no hydrogen 2.878 N/A ASP 21.A N ASP 90.A OD2 no hydrogen 2.880 N/A LYS 22.A N ASP 90.A OD2 no hydrogen 2.904 N/A ILE 23.A N ILE 52.A O no hydrogen 2.850 N/A VAL 24.A N VAL 91.A O no hydrogen 2.988 N/A ILE 25.A N ASN 54.A O no hydrogen 2.932 N/A VAL 26.A N CYS 93.A O no hydrogen 2.790 N/A SER 27.A OG LEU 95.A O no hydrogen 2.729 N/A HIS 28.A N SER 27.A OG no hydrogen 2.792 N/A HIS 28.A ND1 VAL 29.A O no hydrogen 2.689 N/A VAL 29.A N ARG 102.A O no hydrogen 2.845 N/A SER 30.A OG ASN 59.A OD1 no hydrogen 3.180 N/A ALA 35.A N ASP 32.A OD1 no hydrogen 3.341 N/A ILE 36.A N ASP 32.A O no hydrogen 2.901 N/A GLY 37.A N GLY 33.A O no hydrogen 2.659 N/A SER 38.A N ASP 34.A O no hydrogen 3.073 N/A SER 38.A OG ASP 34.A O no hydrogen 2.500 N/A SER 38.A OG ALA 35.A O no hydrogen 3.232 N/A SER 39.A N ALA 35.A O no hydrogen 3.216 N/A SER 39.A OG ALA 35.A O no hydrogen 2.715 N/A LEU 40.A N ILE 36.A O no hydrogen 2.813 N/A GLY 41.A N GLY 37.A O no hydrogen 2.819 N/A LEU 42.A N SER 38.A O no hydrogen 2.970 N/A TYR 43.A N SER 39.A O no hydrogen 2.855 N/A HIS 44.A N LEU 40.A O no hydrogen 2.987 N/A PHE 45.A N GLY 41.A O no hydrogen 3.363 N/A LEU 46.A N LEU 42.A O no hydrogen 2.881 N/A ASP 47.A N TYR 43.A O no hydrogen 2.746 N/A SER 48.A N HIS 44.A O no hydrogen 3.045 N/A SER 48.A N PHE 45.A O no hydrogen 3.007 N/A SER 48.A OG PHE 45.A O no hydrogen 2.592 N/A SER 48.A OG GLN 49.A OE1 no hydrogen 3.202 N/A GLN 49.A N LEU 46.A O no hydrogen 2.996 N/A LYS 51.A NZ PHE 17.A O no hydrogen 2.812 N/A LYS 51.A NZ ALA 20.A O no hydrogen 2.575 N/A ILE 52.A N ASP 21.A O no hydrogen 3.048 N/A ASN 54.A N ILE 23.A O no hydrogen 3.193 N/A ILE 56.A N ILE 25.A O no hydrogen 2.854 N/A VAL 57.A N LEU 74.A O no hydrogen 2.965 N/A ASN 59.A ND2 ASP 77.A OD2 no hydrogen 3.375 N/A LEU 65.A N PRO 62.A O no hydrogen 3.125 N/A LYS 66.A N ASP 63.A O no hydrogen 3.022 N/A LYS 66.A NZ ASP 63.A OD1 no hydrogen 2.897 N/A SER 70.A OG LYS 66.A O no hydrogen 2.698 N/A ASP 72.A N GLY 69.A O no hydrogen 3.158 N/A ILE 73.A N SER 70.A O no hydrogen 3.140 N/A LEU 74.A N VAL 55.A O no hydrogen 2.823 N/A TYR 76.A N VAL 57.A O no hydrogen 2.739 N/A TYR 76.A OH GLN 80.A OE1 no hydrogen 3.389 N/A TYR 76.A OH ASP 84.A OD1 no hydrogen 2.467 N/A ASP 77.A N PRO 58.A O no hydrogen 3.314 N/A ARG 78.A N LEU 75.A O no hydrogen 3.097 N/A TYR 79.A N LEU 75.A O no hydrogen 3.097 N/A ALA 83.A N TYR 79.A O no hydrogen 2.820 N/A ASP 84.A N GLN 80.A O no hydrogen 2.707 N/A LYS 85.A N GLU 81.A O no hydrogen 3.182 N/A LEU 86.A N PHE 82.A O no hydrogen 3.197 N/A ILE 87.A N ALA 83.A O no hydrogen 2.868 N/A ALA 89.A N ILE 87.A O no hydrogen 3.306 N/A ASP 90.A N LYS 22.A O no hydrogen 2.822 N/A VAL 91.A N LYS 22.A O no hydrogen 3.348 N/A ILE 92.A N ARG 115.A O no hydrogen 2.719 N/A CYS 93.A N VAL 24.A O no hydrogen 2.725 N/A CYS 94.A N ILE 117.A O no hydrogen 2.772 N/A LEU 95.A N VAL 26.A O no hydrogen 2.801 N/A ASP 96.A N ILE 118.A O no hydrogen 2.993 N/A ASN 98.A ND2 LEU 122.A O no hydrogen 2.928 N/A LEU 100.A N GLU 125.A OE1 no hydrogen 3.359 N/A ARG 102.A N ALA 99.A O no hydrogen 2.831 N/A ILE 103.A N LEU 100.A O no hydrogen 3.217 N/A ASP 104.A N LYS 101.A O no hydrogen 3.243 N/A SER 106.A OG LEU 100.A O no hydrogen 2.688 N/A ALA 110.A N SER 106.A O no hydrogen 2.718 N/A ALA 111.A N ASP 107.A O no hydrogen 2.852 N/A SER 112.A N ILE 108.A O no hydrogen 2.987 N/A SER 112.A OG ILE 87.A O no hydrogen 2.703 N/A GLY 114.A N SER 112.A OG no hydrogen 3.331 N/A ARG 115.A N ASP 90.A O no hydrogen 2.910 N/A LYS 116.A NZ SER 112.A O no hydrogen 2.647 N/A ILE 117.A N ILE 92.A O no hydrogen 3.045 N/A ASP 119.A N ILE 132.A O no hydrogen 3.093 N/A HIS 121.A N ASP 119.A OD2 no hydrogen 3.099 N/A GLU 125.A N ASN 98.A O no hydrogen 2.874 N/A ARG 129.A N LYS 116.A O no hydrogen 3.093 N/A ILE 130.A N LYS 116.A O no hydrogen 3.233 N/A HIS 134.A N ASP 119.A O no hydrogen 3.118 N/A HIS 134.A ND1 GLU 136.A OE2 no hydrogen 2.762 N/A GLU 136.A N GLU 136.A OE1 no hydrogen 2.599 N/A ILE 137.A N HIS 134.A O no hydrogen 3.065 N/A THR 140.A N ASP 34.A OD2 no hydrogen 2.957 N/A THR 140.A OG1 ASP 96.A OD1 no hydrogen 2.557 N/A SER 141.A N ASP 34.A OD1 no hydrogen 2.916 N/A SER 141.A OG ASP 34.A OD1 no hydrogen 2.700 N/A GLU 142.A N SER 139.A OG no hydrogen 3.234 N/A VAL 144.A N THR 140.A O no hydrogen 2.940 N/A PHE 145.A N SER 141.A O no hydrogen 3.035 N/A ARG 146.A N GLU 142.A O no hydrogen 2.853 N/A ARG 146.A NE GLU 142.A OE2 no hydrogen 2.803 N/A ARG 146.A NH1 GLU 142.A OE2 no hydrogen 3.186 N/A ARG 146.A NH1 GLU 181.A OE1 no hydrogen 2.767 N/A ARG 146.A NH2 THR 2.A O no hydrogen 2.986 N/A ARG 146.A NH2 GLU 181.A OE1 no hydrogen 3.567 N/A LEU 147.A N LEU 143.A O no hydrogen 2.807 N/A ILE 148.A N VAL 144.A O no hydrogen 3.073 N/A CYS 149.A N PHE 145.A O no hydrogen 2.981 N/A ARG 150.A N ARG 146.A O no hydrogen 2.890 N/A ARG 150.A NH1 ILE 5.A O no hydrogen 2.758 N/A ARG 150.A NH2 ILE 5.A O no hydrogen 3.262 N/A ARG 150.A NH2 GLN 7.A OE1 no hydrogen 2.727 N/A TYR 152.A N ILE 148.A O no hydrogen 3.054 N/A ASP 155.A N TYR 152.A O no hydrogen 3.009 N/A ILE 156.A N PHE 153.A O no hydrogen 3.213 N/A LYS 158.A NZ GLY 193.A O no hydrogen 2.672 N/A GLY 160.A N SER 157.A OG no hydrogen 2.936 N/A ALA 161.A N SER 157.A O no hydrogen 2.771 N/A GLU 162.A N LYS 158.A O no hydrogen 2.916 N/A CYS 163.A N GLU 159.A O no hydrogen 3.177 N/A CYS 163.A SG PRO 68.A O no hydrogen 4.014 N/A CYS 163.A SG GLU 159.A O no hydrogen 3.291 N/A ILE 164.A N GLY 160.A O no hydrogen 3.040 N/A TYR 165.A N ALA 161.A O no hydrogen 2.907 N/A THR 166.A N GLU 162.A O no hydrogen 2.981 N/A THR 166.A OG1 GLU 162.A O no hydrogen 2.694 N/A GLY 167.A N CYS 163.A O no hydrogen 3.291 N/A THR 168.A OG1 THR 166.A O no hydrogen 3.177 N/A THR 168.A OG1 GLY 167.A O no hydrogen 3.361 N/A ASP 169.A N GLY 167.A O no hydrogen 3.069 N/A GLY 171.A N THR 168.A O no hydrogen 3.277 N/A PHE 173.A N THR 170.A OG1 no hydrogen 2.883 N/A THR 174.A N THR 170.A O no hydrogen 2.823 N/A THR 174.A OG1 THR 170.A O no hydrogen 3.443 N/A THR 174.A OG1 GLY 171.A O no hydrogen 2.590 N/A TYR 175.A N THR 170.A O no hydrogen 3.073 N/A TYR 175.A OH ASP 169.A O no hydrogen 3.337 N/A SER 177.A OG PHE 173.A O no hydrogen 3.410 N/A SER 177.A OG TYR 183.A OH no hydrogen 2.935 N/A GLU 181.A N ASN 179.A OD1 no hydrogen 2.792 N/A ILE 182.A N ASN 179.A O no hydrogen 3.331 N/A TYR 183.A N ARG 180.A O no hydrogen 3.123 N/A TYR 183.A OH SER 177.A O no hydrogen 2.553 N/A ILE 185.A N GLU 181.A O no hydrogen 3.055 N/A ILE 186.A N ILE 182.A O no hydrogen 2.917 N/A SER 187.A N TYR 183.A O no hydrogen 3.117 N/A GLU 188.A N PHE 184.A O no hydrogen 2.875 N/A LEU 189.A N ILE 185.A O no hydrogen 2.885 N/A LEU 190.A N ILE 186.A O no hydrogen 2.876 N/A SER 191.A N SER 187.A O no hydrogen 3.043 N/A SER 191.A OG GLU 188.A O no hydrogen 2.468 N/A LYS 192.A N LEU 189.A O no hydrogen 3.025 N/A LYS 192.A NZ PHE 153.A O no hydrogen 2.605 N/A LYS 192.A NZ ILE 156.A O no hydrogen 3.228 N/A GLY 193.A N LEU 190.A O no hydrogen 2.977 N/A ASP 198.A N ASP 195.A OD1 no hydrogen 3.024 N/A ILE 199.A N ASP 195.A O no hydrogen 3.097 N/A TYR 200.A N LYS 196.A O no hydrogen 3.061 N/A ARG 201.A N ASP 197.A O no hydrogen 3.162 N/A ARG 201.A NH2 ASP 198.A OD1 no hydrogen 3.019 N/A LYS 202.A N ASP 198.A O no hydrogen 2.968 N/A LYS 202.A NZ ASP 198.A OD2 no hydrogen 3.104 N/A VAL 203.A N ILE 199.A O no hydrogen 3.229 N/A TYR 204.A N TYR 200.A O no hydrogen 2.908 N/A ASN 205.A N ARG 201.A O no hydrogen 2.815 N/A THR 206.A OG1 LYS 202.A O no hydrogen 2.600 N/A SER 208.A OG SER 210.A OG no hydrogen 2.996 N/A SER 210.A OG SER 208.A OG no hydrogen 2.996 N/A ARG 211.A N SER 208.A OG no hydrogen 2.831 N/A ARG 211.A NE ASP 247.A O no hydrogen 2.742 N/A ARG 211.A NH2 GLU 249.A O no hydrogen 2.664 N/A LEU 212.A N SER 208.A O no hydrogen 3.321 N/A ARG 213.A N GLU 209.A O no hydrogen 3.047 N/A ARG 213.A NH1 GLU 209.A OE2 no hydrogen 3.258 N/A ARG 213.A NH2 GLU 209.A OE2 no hydrogen 2.884 N/A LEU 214.A N SER 210.A O no hydrogen 2.917 N/A TYR 216.A N ARG 213.A O no hydrogen 2.971 N/A TYR 216.A OH GLU 237.A OE2 no hydrogen 2.875 N/A VAL 217.A N LEU 214.A O no hydrogen 2.985 N/A SER 219.A N GLY 215.A O no hydrogen 2.868 N/A SER 219.A OG GLY 215.A O no hydrogen 3.105 N/A ASN 220.A N TYR 216.A O no hydrogen 3.114 N/A ASN 220.A ND2 TYR 216.A O no hydrogen 3.184 N/A LYS 221.A N LEU 230.A O no hydrogen 2.733 N/A TYR 223.A N SER 228.A O no hydrogen 2.954 N/A TYR 223.A OH GLU 317.A OE1 no hydrogen 3.345 N/A TYR 226.A N TYR 223.A O no hydrogen 3.016 N/A TYR 226.A OH GLU 321.A OE1 no hydrogen 2.635 N/A TYR 226.A OH GLU 321.A OE2 no hydrogen 3.046 N/A ASN 227.A ND2 ASN 260.A O no hydrogen 2.957 N/A SER 228.A OG TYR 226.A O no hydrogen 2.723 N/A ALA 229.A N PHE 263.A O no hydrogen 2.958 N/A LEU 230.A N LYS 221.A O no hydrogen 2.626 N/A ILE 231.A N CYS 265.A O no hydrogen 2.916 N/A LEU 233.A N LEU 267.A O no hydrogen 2.710 N/A THR 234.A N GLU 237.A OE1 no hydrogen 2.683 N/A THR 234.A OG1 GLU 237.A OE1 no hydrogen 3.245 N/A LYS 235.A NZ GLU 269.A OE2 no hydrogen 3.251 N/A GLU 237.A N THR 234.A OG1 no hydrogen 2.981 N/A GLN 238.A N THR 234.A O no hydrogen 2.879 N/A GLN 238.A NE2 GLU 269.A O no hydrogen 3.039 N/A GLY 239.A N LYS 235.A O no hydrogen 2.971 N/A LYS 240.A N GLU 236.A O no hydrogen 3.069 N/A PHE 241.A N GLU 237.A O no hydrogen 3.213 N/A ASP 242.A N GLY 239.A O no hydrogen 3.148 N/A TYR 243.A N GLN 238.A O no hydrogen 3.017 N/A TYR 243.A OH SER 248.A OG no hydrogen 2.852 N/A ASP 247.A N ILE 244.A O no hydrogen 3.153 N/A SER 248.A N TYR 243.A OH no hydrogen 3.363 N/A SER 248.A OG TYR 243.A OH no hydrogen 2.852 N/A GLU 249.A N GLY 246.A O no hydrogen 3.432 N/A PHE 251.A N SER 248.A O no hydrogen 3.097 N/A ASN 253.A N GLY 250.A O no hydrogen 3.095 N/A ILE 254.A N PHE 251.A O no hydrogen 3.208 N/A LEU 256.A N ASN 253.A O no hydrogen 3.075 N/A SER 257.A N ILE 254.A O no hydrogen 3.082 N/A SER 257.A OG ILE 254.A O no hydrogen 2.566 N/A ILE 258.A N PRO 255.A O no hydrogen 3.127 N/A VAL 261.A N ILE 258.A O no hydrogen 3.207 N/A CYS 262.A N ASN 227.A O no hydrogen 2.936 N/A CYS 262.A SG ASN 227.A O no hydrogen 3.743 N/A PHE 263.A N ASN 227.A O no hydrogen 3.368 N/A SER 264.A N ARG 278.A O no hydrogen 2.730 N/A SER 264.A OG VAL 252.A O no hydrogen 2.712 N/A CYS 265.A N ALA 229.A O no hydrogen 2.946 N/A CYS 265.A SG SER 276.A O no hydrogen 4.026 N/A PHE 266.A N SER 276.A O no hydrogen 2.863 N/A LEU 267.A N ILE 231.A O no hydrogen 2.845 N/A ARG 268.A N LYS 274.A O no hydrogen 2.774 N/A GLU 269.A N LEU 233.A O no hydrogen 3.050 N/A THR 271.A N ASP 270.A OD1 no hydrogen 2.716 N/A ILE 273.A N PHE 306.A O no hydrogen 2.853 N/A LYS 274.A N ARG 268.A O no hydrogen 2.597 N/A ILE 275.A N GLY 304.A O no hydrogen 2.692 N/A SER 276.A N PHE 266.A O no hydrogen 2.906 N/A LEU 277.A N SER 302.A O no hydrogen 2.777 N/A ARG 278.A N SER 264.A O no hydrogen 2.844 N/A ARG 278.A NE ASN 253.A OD1 no hydrogen 2.634 N/A ARG 278.A NH1 ASN 300.A O no hydrogen 3.371 N/A ARG 278.A NH2 TYR 175.A OH no hydrogen 3.398 N/A SER 279.A N ASN 300.A O no hydrogen 2.923 N/A SER 279.A OG PHE 283.A O no hydrogen 2.721 N/A SER 279.A OG LEU 299.A O no hydrogen 3.344 N/A SER 279.A OG ASN 300.A OD1 no hydrogen 2.940 N/A VAL 280.A N CYS 262.A O no hydrogen 2.934 N/A CYS 285.A N LEU 299.A O no hydrogen 2.762 N/A CYS 285.A SG SER 279.A OG no hydrogen 3.441 N/A ALA 289.A N CYS 285.A O no hydrogen 3.055 N/A ALA 290.A N ASN 286.A O no hydrogen 3.213 N/A GLU 291.A N ARG 287.A O no hydrogen 3.272 N/A PHE 292.A N LEU 288.A O no hydrogen 2.939 N/A PHE 293.A N ALA 289.A O no hydrogen 2.977 N/A ASN 294.A ND2 GLU 305.A O no hydrogen 3.305 N/A GLY 295.A N ALA 289.A O no hydrogen 2.977 N/A GLY 296.A N GLY 303.A O no hydrogen 3.093 N/A HIS 298.A N ALA 301.A O no hydrogen 2.814 N/A SER 302.A N LEU 277.A O no hydrogen 2.972 N/A SER 302.A OG HIS 298.A O no hydrogen 2.825 N/A GLY 303.A N GLY 296.A O no hydrogen 3.104 N/A GLY 304.A N ILE 275.A O no hydrogen 3.049 N/A PHE 306.A N ILE 273.A O no hydrogen 2.709 N/A THR 309.A OG1 GLU 311.A OE1 no hydrogen 3.382 N/A ALA 312.A N THR 309.A O no hydrogen 2.767 N/A LYS 314.A N GLU 310.A O no hydrogen 3.107 N/A VAL 315.A N GLU 311.A O no hydrogen 3.313 N/A PHE 316.A N ALA 312.A O no hydrogen 3.087 N/A GLU 317.A N VAL 313.A O no hydrogen 2.971 N/A GLN 318.A N LYS 314.A O no hydrogen 3.046 N/A GLN 318.A N VAL 315.A O no hydrogen 2.938 N/A ALA 319.A N VAL 315.A O no hydrogen 3.189 N/A LEU 320.A N PHE 316.A O no hydrogen 3.103 N/A GLU 321.A N GLU 317.A O no hydrogen 3.307 N/A LYS 322.A N GLN 318.A O no hydrogen 2.914 N/A LYS 322.A NZ GLU 291.A OE1 no hydrogen 3.011 N/A TYR 323.A N ALA 319.A O no hydrogen 2.966 N/A TYR 323.A OH GLU 291.A OE2 no hydrogen 2.693 N/A LEU 327.A N TYR 323.A O no hydrogen 3.006 N/A LYS 328.A N LYS 324.A O no hydrogen 3.092 N/A GLU 329.A N LEU 326.A O no hydrogen 3.323 N/A