Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 8upn_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): THR 2.A OG1 GLU 180.A OE1 no hydrogen 3.564 N/A TYR 4.A N ILE 178.A O no hydrogen 2.775 N/A TYR 4.A OH GLU 180.A OE1 no hydrogen 2.832 N/A TYR 5.A N ASP 8.A OD2 no hydrogen 2.371 N/A ASP 6.A N GLY 174.A O no hydrogen 2.800 N/A ASP 8.A N TYR 5.A O no hydrogen 2.534 N/A CYS 9.A N ASP 6.A O no hydrogen 3.137 N/A CYS 9.A SG TYR 5.A O no hydrogen 3.123 N/A CYS 9.A SG LEU 165.A O no hydrogen 3.330 N/A ASN 12.A N ASP 10.A OD1 no hydrogen 3.097 N/A ASN 12.A ND2 ASP 10.A OD1 no hydrogen 2.508 N/A LEU 13.A N ASP 10.A O no hydrogen 3.078 N/A ILE 14.A N SER 166.A OG no hydrogen 2.967 N/A LYS 15.A N LEU 11.A O no hydrogen 2.981 N/A SER 16.A N ASN 12.A O no hydrogen 2.678 N/A SER 16.A OG SER 16.A O no hydrogen 2.262 N/A LYS 17.A N ILE 14.A O no hydrogen 3.121 N/A LYS 18.A N ASP 74.A OD2 no hydrogen 3.466 N/A VAL 19.A N ASN 41.A O no hydrogen 3.015 N/A ALA 20.A N VAL 75.A O no hydrogen 2.597 N/A ILE 21.A N THR 43.A O no hydrogen 2.939 N/A ILE 22.A N MET 77.A O no hydrogen 2.899 N/A GLY 23.A N GLY 45.A O no hydrogen 3.157 N/A GLN 27.A NE2 ALA 131.A O no hydrogen 3.478 N/A HIS 29.A N GLY 25.A O no hydrogen 3.120 N/A HIS 31.A N GLN 27.A O no hydrogen 2.862 N/A HIS 31.A ND1 TYR 167.A OH no hydrogen 2.518 N/A HIS 31.A NE2 GLN 27.A OE1 no hydrogen 3.030 N/A ALA 32.A N GLY 28.A O no hydrogen 3.018 N/A MET 33.A N HIS 29.A O no hydrogen 2.752 N/A ASN 34.A N ALA 30.A O no hydrogen 2.919 N/A ASN 34.A ND2 VAL 136.A O no hydrogen 3.443 N/A ASN 34.A ND2 ILE 171.A O no hydrogen 2.763 N/A LEU 35.A N HIS 31.A O no hydrogen 2.954 N/A ARG 36.A N ALA 32.A O no hydrogen 3.286 N/A ARG 36.A NH1 GLY 60.A O no hydrogen 3.120 N/A ARG 36.A NH2 GLY 60.A O no hydrogen 2.733 N/A ASP 37.A N MET 33.A O no hydrogen 3.221 N/A ASN 38.A N LEU 35.A O no hydrogen 3.206 N/A ASN 38.A ND2 ALA 170.A O no hydrogen 3.618 N/A GLY 39.A N ARG 36.A O no hydrogen 2.421 N/A VAL 40.A N LEU 35.A O no hydrogen 3.375 N/A THR 43.A N VAL 19.A O no hydrogen 2.768 N/A ILE 44.A N GLU 62.A O no hydrogen 2.940 N/A GLY 45.A N ILE 21.A O no hydrogen 3.068 N/A LEU 46.A N MET 64.A O no hydrogen 3.047 N/A SER 52.A N SER 50.A OG no hydrogen 3.319 N/A ALA 53.A N SER 50.A O no hydrogen 2.929 N/A ALA 56.A N SER 52.A O no hydrogen 2.429 N/A LYS 57.A N ALA 53.A O no hydrogen 2.603 N/A ASN 58.A N VAL 54.A O no hydrogen 2.488 N/A ALA 59.A N ALA 56.A O no hydrogen 2.628 N/A GLY 60.A N LYS 57.A O no hydrogen 2.844 N/A MET 64.A N ILE 44.A O no hydrogen 2.915 N/A SER 67.A OG ASN 96.A OD1 no hydrogen 2.444 N/A GLU 68.A N SER 65.A OG no hydrogen 3.103 N/A ALA 69.A N SER 65.A O no hydrogen 2.919 N/A SER 70.A N VAL 66.A O no hydrogen 3.064 N/A SER 70.A OG VAL 66.A O no hydrogen 2.625 N/A LYS 71.A N SER 67.A O no hydrogen 3.371 N/A LYS 71.A N GLU 68.A O no hydrogen 2.926 N/A ILE 72.A N GLU 68.A O no hydrogen 3.408 N/A ALA 73.A N ALA 69.A O no hydrogen 3.147 N/A ASP 74.A N LYS 18.A O no hydrogen 2.932 N/A VAL 75.A N LYS 18.A O no hydrogen 3.080 N/A ILE 76.A N ALA 102.A O no hydrogen 2.868 N/A MET 77.A N ALA 20.A O no hydrogen 2.726 N/A ILE 78.A N ALA 104.A O no hydrogen 2.754 N/A LEU 79.A N ILE 22.A O no hydrogen 2.986 N/A GLU 83.A N GLU 83.A OE1 no hydrogen 2.507 N/A ILE 84.A N PRO 81.A O no hydrogen 3.218 N/A GLN 85.A N ASP 82.A O no hydrogen 3.057 N/A GLN 85.A NE2 ILE 78.A O no hydrogen 3.576 N/A PHE 89.A N GLN 85.A O no hydrogen 3.265 N/A ASN 90.A N ALA 86.A O no hydrogen 3.231 N/A VAL 91.A N ASP 87.A O no hydrogen 2.898 N/A GLU 92.A N ILE 88.A O no hydrogen 3.025 N/A ILE 93.A N PHE 89.A O no hydrogen 3.055 N/A LYS 94.A N PHE 89.A O no hydrogen 2.698 N/A GLY 100.A N GLY 121.A O no hydrogen 3.099 N/A LYS 101.A N SER 98.A O no hydrogen 3.198 N/A LYS 101.A NZ SER 70.A O no hydrogen 2.626 N/A LYS 101.A NZ LYS 71.A O no hydrogen 2.936 N/A LYS 101.A NZ ALA 73.A O no hydrogen 2.607 N/A ALA 102.A N ASP 74.A O no hydrogen 2.772 N/A ILE 103.A N ASP 123.A O no hydrogen 2.650 N/A ALA 104.A N ILE 76.A O no hydrogen 2.671 N/A PHE 105.A N ILE 125.A O no hydrogen 3.024 N/A HIS 107.A ND1 GLU 186.A OE2 no hydrogen 2.577 N/A GLY 108.A N GLU 186.A OE1 no hydrogen 2.784 N/A HIS 112.A N GLY 108.A O no hydrogen 2.918 N/A HIS 112.A NE2 GLU 188.A OE2 no hydrogen 2.780 N/A TYR 113.A N PHE 109.A O no hydrogen 3.105 N/A TYR 113.A OH ILE 281.A O no hydrogen 2.497 N/A GLY 114.A N ILE 111.A O no hydrogen 3.305 N/A GLN 115.A N ASN 110.A O no hydrogen 2.832 N/A ILE 116.A N ASN 110.A O no hydrogen 3.048 N/A ASP 123.A N LYS 101.A O no hydrogen 3.094 N/A VAL 124.A N GLN 154.A O no hydrogen 3.265 N/A ILE 125.A N ILE 103.A O no hydrogen 2.977 N/A MET 126.A N ALA 151.A O no hydrogen 2.795 N/A ILE 127.A N PHE 105.A O no hydrogen 2.901 N/A ALA 128.A N LEU 149.A O no hydrogen 2.628 N/A LYS 130.A N PRO 147.A O no hydrogen 2.850 N/A GLY 133.A N SER 26.A OG no hydrogen 2.954 N/A THR 135.A OG1 HIS 134.A NE2 no hydrogen 3.159 N/A VAL 136.A N PRO 132.A O no hydrogen 2.886 N/A ARG 137.A N GLY 133.A O no hydrogen 2.980 N/A ARG 137.A NH1 ASN 34.A OD1 no hydrogen 2.996 N/A ARG 137.A NH1 ASP 37.A OD2 no hydrogen 3.024 N/A ARG 137.A NH2 ASP 37.A OD2 no hydrogen 2.666 N/A ASN 138.A N HIS 134.A O no hydrogen 2.771 N/A GLU 139.A N THR 135.A O no hydrogen 2.845 N/A PHE 140.A N ARG 137.A O no hydrogen 2.848 N/A THR 141.A N ARG 137.A O no hydrogen 3.108 N/A THR 141.A N ASN 138.A O no hydrogen 2.896 N/A THR 141.A OG1 ASN 138.A O no hydrogen 2.796 N/A LEU 142.A N ASN 138.A O no hydrogen 3.164 N/A CYS 148.A N GLY 177.A O no hydrogen 3.311 N/A CYS 148.A SG THR 146.A O no hydrogen 3.797 N/A LEU 149.A N ALA 128.A O no hydrogen 2.621 N/A ILE 150.A N ILE 179.A O no hydrogen 2.930 N/A ALA 151.A N MET 126.A O no hydrogen 3.203 N/A HIS 153.A N VAL 124.A O no hydrogen 2.889 N/A GLN 154.A N VAL 124.A O no hydrogen 3.353 N/A GLN 154.A NE2 VAL 118.A O no hydrogen 3.494 N/A SER 157.A N ASP 123.A OD1 no hydrogen 2.710 N/A SER 157.A OG ASN 159.A OD1 no hydrogen 2.744 N/A ASN 159.A N SER 157.A O no hydrogen 2.215 N/A ALA 160.A N ASP 155.A OD1 no hydrogen 2.989 N/A LEU 163.A N ASN 159.A O no hydrogen 2.940 N/A ALA 164.A N ALA 160.A O no hydrogen 2.831 N/A LEU 165.A N LYS 161.A O no hydrogen 3.085 N/A SER 166.A N ASN 162.A O no hydrogen 3.042 N/A SER 166.A OG ASP 10.A O no hydrogen 2.584 N/A TYR 167.A N LEU 163.A O no hydrogen 2.819 N/A TYR 167.A OH HIS 31.A ND1 no hydrogen 2.518 N/A ALA 168.A N ALA 164.A O no hydrogen 2.981 N/A SER 169.A N LEU 165.A O no hydrogen 2.812 N/A SER 169.A OG ASP 6.A OD1 no hydrogen 2.522 N/A ALA 170.A N SER 166.A O no hydrogen 2.984 N/A ALA 170.A N TYR 167.A O no hydrogen 2.960 N/A ILE 171.A N ALA 168.A O no hydrogen 3.181 N/A ARG 175.A N GLY 172.A O no hydrogen 2.453 N/A ARG 175.A NH1 PHE 140.A O no hydrogen 3.117 N/A ARG 175.A NH1 GLY 144.A O no hydrogen 3.374 N/A THR 176.A N GLY 173.A O no hydrogen 3.093 N/A GLY 177.A N GLY 173.A O no hydrogen 2.446 N/A ILE 178.A N TYR 4.A O no hydrogen 2.756 N/A ILE 179.A N CYS 148.A O no hydrogen 2.711 N/A GLU 180.A N THR 2.A O no hydrogen 3.378 N/A THR 181.A N ILE 150.A O no hydrogen 2.675 N/A THR 181.A OG1 THR 182.A O no hydrogen 3.507 N/A THR 182.A N THR 181.A OG1 no hydrogen 2.549 N/A LYS 184.A NZ GLU 188.A OE1 no hydrogen 3.047 N/A LYS 184.A NZ GLU 188.A OE2 no hydrogen 2.549 N/A ALA 185.A N THR 182.A OG1 no hydrogen 2.960 N/A GLU 186.A N THR 182.A O no hydrogen 2.990 N/A THR 187.A N PHE 183.A O no hydrogen 2.967 N/A THR 187.A OG1 PHE 183.A O no hydrogen 2.726 N/A THR 187.A OG1 GLU 186.A OE1 no hydrogen 3.362 N/A GLU 188.A N LYS 184.A O no hydrogen 2.949 N/A THR 189.A N ALA 185.A O no hydrogen 3.169 N/A THR 189.A OG1 ALA 185.A O no hydrogen 2.341 N/A THR 189.A OG1 GLU 186.A O no hydrogen 3.305 N/A ASP 190.A N GLU 186.A O no hydrogen 3.169 N/A LEU 191.A N THR 187.A O no hydrogen 2.999 N/A PHE 192.A N GLU 188.A O no hydrogen 2.946 N/A GLY 193.A N THR 189.A O no hydrogen 2.837 N/A GLU 194.A N ASP 190.A O no hydrogen 2.948 N/A GLN 195.A N LEU 191.A O no hydrogen 2.929 N/A ALA 196.A N PHE 192.A O no hydrogen 2.755 N/A VAL 197.A N GLY 193.A O no hydrogen 2.994 N/A LEU 198.A N GLY 193.A O no hydrogen 2.650 N/A CYS 199.A N GLU 194.A O no hydrogen 2.911 N/A GLY 200.A N GLU 194.A O no hydrogen 3.084 N/A GLY 201.A N GLN 195.A O no hydrogen 3.195 N/A LEU 202.A N VAL 197.A O no hydrogen 3.045 N/A SER 203.A N CYS 199.A O no hydrogen 2.866 N/A SER 203.A OG CYS 199.A O no hydrogen 2.687 N/A ALA 204.A N GLY 200.A O no hydrogen 3.102 N/A LEU 205.A N GLY 201.A O no hydrogen 2.682 N/A ILE 206.A N LEU 202.A O no hydrogen 2.932 N/A GLN 207.A N SER 203.A O no hydrogen 3.097 N/A GLN 207.A NE2 SER 203.A O no hydrogen 3.283 N/A ALA 208.A N ALA 204.A O no hydrogen 2.976 N/A GLY 209.A N LEU 205.A O no hydrogen 3.046 N/A PHE 210.A N ILE 206.A O no hydrogen 2.886 N/A GLU 211.A N GLN 207.A O no hydrogen 2.753 N/A THR 212.A N ALA 208.A O no hydrogen 2.873 N/A THR 212.A OG1 ALA 208.A O no hydrogen 2.633 N/A LEU 213.A N GLY 209.A O no hydrogen 3.290 N/A VAL 214.A N PHE 210.A O no hydrogen 3.148 N/A GLU 215.A N GLU 211.A O no hydrogen 2.742 N/A ALA 216.A N THR 212.A O no hydrogen 2.980 N/A ALA 216.A N LEU 213.A O no hydrogen 2.986 N/A GLY 217.A N VAL 214.A O no hydrogen 3.143 N/A TYR 218.A N LEU 213.A O no hydrogen 3.053 N/A GLU 221.A N GLU 221.A OE1 no hydrogen 2.353 N/A ALA 223.A N GLU 219.A O no hydrogen 3.144 N/A TYR 224.A N PRO 220.A O no hydrogen 2.725 N/A PHE 225.A N GLU 221.A O no hydrogen 2.971 N/A GLU 226.A N MET 222.A O no hydrogen 3.045 N/A CYS 227.A N ALA 223.A O no hydrogen 3.074 N/A LEU 228.A N TYR 224.A O no hydrogen 3.096 N/A HIS 229.A N TYR 224.A O no hydrogen 2.960 N/A GLU 230.A N PHE 225.A O no hydrogen 3.117 N/A MET 231.A N LEU 228.A O no hydrogen 3.085 N/A LYS 232.A NZ ASP 236.A OD1 no hydrogen 3.264 N/A LYS 232.A NZ ASP 236.A OD2 no hydrogen 2.621 N/A VAL 235.A N MET 231.A O no hydrogen 2.779 N/A ASP 236.A N LYS 232.A O no hydrogen 2.748 N/A LEU 237.A N LEU 233.A O no hydrogen 3.266 N/A ILE 238.A N ILE 234.A O no hydrogen 3.068 N/A TYR 239.A N VAL 235.A O no hydrogen 2.733 N/A GLN 240.A N ASP 236.A O no hydrogen 3.108 N/A GLY 241.A N LEU 237.A O no hydrogen 3.173 N/A GLY 242.A N ILE 238.A O no hydrogen 2.936 N/A MET 246.A N GLY 242.A O no hydrogen 3.045 N/A ARG 247.A N ILE 243.A O no hydrogen 2.912 N/A ARG 247.A NE ASP 258.A OD2 no hydrogen 2.791 N/A ARG 247.A NH2 ASP 258.A OD1 no hydrogen 2.754 N/A ARG 247.A NH2 ASP 258.A OD2 no hydrogen 3.419 N/A TYR 248.A N ALA 244.A O no hydrogen 2.996 N/A SER 249.A N MET 246.A O no hydrogen 3.020 N/A SER 249.A OG ASP 245.A O no hydrogen 2.963 N/A ALA 254.A N SER 251.A OG no hydrogen 3.264 N/A GLU 255.A N SER 251.A O no hydrogen 2.877 N/A TYR 256.A N ASN 252.A O no hydrogen 2.760 N/A GLY 257.A N THR 253.A O no hydrogen 2.891 N/A ASP 258.A N ALA 254.A O no hydrogen 2.771 N/A TYR 259.A N GLU 255.A O no hydrogen 3.139 N/A TYR 259.A OH GLU 255.A OE2 no hydrogen 2.574 N/A ILE 260.A N TYR 256.A O no hydrogen 3.198 N/A THR 261.A N GLY 257.A O no hydrogen 3.171 N/A THR 261.A N ASP 258.A O no hydrogen 3.197 N/A THR 261.A OG1 GLY 257.A O no hydrogen 2.591 N/A GLY 262.A N ASP 258.A O no hydrogen 3.148 N/A LYS 264.A N THR 261.A O no hydrogen 2.814 N/A ILE 265.A N THR 261.A O no hydrogen 3.153 N/A ILE 265.A N GLY 262.A O no hydrogen 2.933 N/A ILE 266.A N GLY 262.A O no hydrogen 2.886 N/A THR 267.A N THR 270.A OG1 no hydrogen 2.910 N/A THR 267.A OG1 THR 270.A OG1 no hydrogen 3.288 N/A THR 270.A N THR 267.A OG1 no hydrogen 3.413 N/A THR 270.A OG1 THR 267.A OG1 no hydrogen 3.288 N/A LYS 271.A N THR 267.A O no hydrogen 3.128 N/A LYS 272.A N GLU 268.A O no hydrogen 2.888 N/A LYS 272.A NZ LYS 272.A O no hydrogen 3.092 N/A ALA 273.A N GLU 269.A O no hydrogen 2.864 N/A MET 274.A N THR 270.A O no hydrogen 3.018 N/A LYS 275.A N LYS 271.A O no hydrogen 3.000 N/A GLY 276.A N LYS 272.A O no hydrogen 3.102 N/A VAL 277.A N ALA 273.A O no hydrogen 2.936 N/A LEU 278.A N MET 274.A O no hydrogen 2.895 N/A LYS 279.A N LYS 275.A O no hydrogen 2.905 N/A ASP 280.A N GLY 276.A O no hydrogen 2.959 N/A ILE 281.A N VAL 277.A O no hydrogen 3.163 N/A GLN 282.A N LEU 278.A O no hydrogen 2.970 N/A GLN 282.A N LYS 279.A O no hydrogen 3.105 N/A ASN 283.A N LYS 279.A O no hydrogen 3.037 N/A VAL 285.A N ASN 283.A OD1 no hydrogen 3.205 N/A PHE 286.A N ASP 280.A O no hydrogen 3.127 N/A LYS 288.A N GLY 284.A O no hydrogen 2.890 N/A ASP 289.A N VAL 285.A O no hydrogen 2.825 N/A PHE 290.A N PHE 286.A O no hydrogen 2.807 N/A ILE 291.A N ALA 287.A O no hydrogen 3.024 N/A LEU 292.A N LYS 288.A O no hydrogen 2.950 N/A GLU 293.A N ASP 289.A O no hydrogen 3.059 N/A ARG 294.A N PHE 290.A O no hydrogen 3.210 N/A ARG 294.A NH2 ASP 87.A OD2 no hydrogen 3.128 N/A ARG 295.A N ILE 291.A O no hydrogen 2.953 N/A ALA 296.A N LEU 292.A O no hydrogen 2.916 N/A GLY 297.A N ARG 294.A O no hydrogen 2.757 N/A PHE 298.A N GLU 293.A O no hydrogen 2.781 N/A MET 301.A N GLU 293.A OE2 no hydrogen 3.096 N/A HIS 302.A N PHE 298.A O no hydrogen 2.848 N/A ALA 303.A N ALA 299.A O no hydrogen 3.087 N/A GLU 304.A N ARG 300.A O no hydrogen 2.727 N/A ARG 305.A N MET 301.A O no hydrogen 2.846 N/A LYS 306.A N HIS 302.A O no hydrogen 3.381 N/A LYS 306.A NZ HIS 302.A NE2 no hydrogen 2.902 N/A ASN 307.A N ALA 303.A O no hydrogen 3.157 N/A MET 308.A N GLU 304.A O no hydrogen 3.015 N/A ASN 309.A N ARG 305.A O no hydrogen 2.890 N/A ASP 310.A N LYS 306.A O no hydrogen 3.021 N/A SER 311.A N MET 308.A O no hydrogen 2.967 N/A SER 311.A OG MET 308.A O no hydrogen 2.603 N/A GLU 314.A N SER 311.A OG no hydrogen 3.122 N/A LYS 315.A N SER 311.A O no hydrogen 2.960 N/A THR 316.A N LEU 312.A O no hydrogen 2.819 N/A THR 316.A OG1 LEU 312.A O no hydrogen 2.655 N/A GLY 317.A N ILE 313.A O no hydrogen 2.887 N/A ARG 318.A N GLU 314.A O no hydrogen 3.071 N/A ARG 318.A NH1 ASN 309.A O no hydrogen 3.390 N/A ARG 318.A NH2 ASN 309.A O no hydrogen 2.806 N/A ASN 319.A N LYS 315.A O no hydrogen 3.366 N/A LEU 320.A N THR 316.A O no hydrogen 3.193 N/A ARG 321.A N GLY 317.A O no hydrogen 2.883 N/A MET 323.A N ASN 319.A O no hydrogen 3.303 N/A MET 324.A N LEU 320.A O no hydrogen 3.393 N/A