Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3nxk_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ARG 3.A N ASP 82.A OD2 no hydrogen 3.335 N/A ARG 3.A NH2 GLU 79.A O no hydrogen 3.311 N/A ILE 4.A N ASP 48.A O no hydrogen 2.961 N/A ALA 5.A N GLY 83.A O no hydrogen 3.098 N/A ILE 6.A N SER 50.A O no hydrogen 2.840 N/A LEU 7.A N VAL 85.A O no hydrogen 2.810 N/A GLY 8.A N GLU 52.A O no hydrogen 2.839 N/A THR 9.A N THR 87.A O no hydrogen 3.028 N/A THR 9.A OG1 THR 87.A O no hydrogen 2.705 N/A GLY 11.A N ILE 57.A O no hydrogen 3.143 N/A THR 12.A OG1 TYR 26.A OH no hydrogen 2.950 N/A ALA 14.A N GLY 11.A O no hydrogen 3.295 N/A GLY 15.A N THR 12.A O no hydrogen 2.813 N/A PHE 16.A N ALA 27.A O no hydrogen 3.198 N/A ILE 17.A N THR 118.A OG1 no hydrogen 3.312 N/A THR 20.A OG1 THR 118.A O no hydrogen 3.303 N/A TYR 26.A OH THR 12.A OG1 no hydrogen 2.950 N/A ALA 27.A N PHE 16.A O no hydrogen 3.211 N/A GLY 29.A N GLY 11.A O no hydrogen 2.923 N/A ALA 30.A N ALA 14.A O no hydrogen 2.853 N/A ILE 33.A N GLN 53.A OE1 no hydrogen 3.101 N/A VAL 35.A N ASP 32.A O no hydrogen 2.982 N/A LEU 36.A N ASP 32.A O no hydrogen 3.368 N/A ILE 37.A N ILE 33.A O no hydrogen 3.194 N/A LYS 38.A NZ ASP 34.A O no hydrogen 2.884 N/A ALA 39.A N VAL 35.A O no hydrogen 3.274 N/A ALA 39.A N LEU 36.A O no hydrogen 3.254 N/A VAL 40.A N ILE 37.A O no hydrogen 3.153 N/A GLN 42.A N GLN 42.A OE1 no hydrogen 2.516 N/A ILE 43.A N VAL 40.A O no hydrogen 3.011 N/A ARG 44.A N PRO 41.A O no hydrogen 3.092 N/A ASP 45.A N GLN 42.A O no hydrogen 2.932 N/A LEU 46.A N ILE 43.A O no hydrogen 3.173 N/A ASP 48.A N SER 2.A O no hydrogen 2.960 N/A SER 50.A N ILE 4.A O no hydrogen 3.011 N/A GLU 52.A N ILE 6.A O no hydrogen 3.154 N/A GLN 53.A NE2 ALA 55.A O no hydrogen 2.799 N/A ILE 54.A N GLY 8.A O no hydrogen 2.859 N/A ALA 55.A N GLY 8.A O no hydrogen 3.098 N/A ILE 57.A N THR 9.A O no hydrogen 3.069 N/A SER 60.A N ASP 58.A OD1 no hydrogen 3.015 N/A SER 60.A OG ASP 58.A OD1 no hydrogen 2.757 N/A ASN 61.A N ASP 58.A O no hydrogen 2.759 N/A TRP 66.A N CYS 62.A O no hydrogen 3.384 N/A TRP 66.A NE1 THR 95.A OG1 no hydrogen 3.192 N/A LEU 67.A N ASP 63.A O no hydrogen 2.871 N/A ARG 68.A N GLU 64.A O no hydrogen 2.886 N/A ARG 68.A NH2 ILE 54.A O no hydrogen 2.957 N/A LEU 69.A N ILE 65.A O no hydrogen 2.779 N/A LEU 69.A N TRP 66.A O no hydrogen 2.932 N/A ALA 70.A N TRP 66.A O no hydrogen 2.950 N/A LYS 71.A N LEU 67.A O no hydrogen 3.176 N/A LYS 71.A NZ LEU 206.A O no hydrogen 2.567 N/A LYS 72.A N ARG 68.A O no hydrogen 2.985 N/A ILE 73.A N LEU 69.A O no hydrogen 3.005 N/A ALA 74.A N ALA 70.A O no hydrogen 3.078 N/A LYS 75.A N LYS 71.A O no hydrogen 2.957 N/A LYS 75.A NZ GLU 79.A OE2 no hydrogen 2.754 N/A LEU 76.A N LYS 72.A O no hydrogen 2.936 N/A PHE 77.A N ILE 73.A O no hydrogen 3.081 N/A ALA 78.A N ALA 74.A O no hydrogen 3.090 N/A GLU 79.A N LYS 75.A O no hydrogen 3.231 N/A GLU 79.A N LEU 76.A O no hydrogen 3.192 N/A GLY 80.A N PHE 77.A O no hydrogen 3.203 N/A ILE 81.A N LEU 76.A O no hydrogen 3.209 N/A ASP 82.A N ARG 3.A O no hydrogen 2.771 N/A VAL 84.A N PRO 108.A O no hydrogen 2.911 N/A VAL 85.A N ALA 5.A O no hydrogen 2.941 N/A ILE 86.A N VAL 110.A O no hydrogen 2.681 N/A THR 87.A N LEU 7.A O no hydrogen 2.871 N/A THR 87.A OG1 LEU 7.A O no hydrogen 3.430 N/A HIS 88.A N VAL 112.A O no hydrogen 3.063 N/A HIS 88.A ND1 GLY 89.A O no hydrogen 2.605 N/A HIS 88.A NE2 THR 95.A OG1 no hydrogen 2.779 N/A THR 92.A N SER 59.A OG no hydrogen 3.193 N/A THR 92.A OG1 SER 59.A O no hydrogen 2.697 N/A GLU 94.A N THR 92.A O no hydrogen 2.741 N/A THR 95.A N THR 92.A O no hydrogen 3.154 N/A THR 95.A OG1 HIS 88.A NE2 no hydrogen 2.779 N/A TYR 97.A N GLU 93.A O no hydrogen 3.359 N/A TYR 97.A OH TYR 322.A OXT no hydrogen 2.364 N/A PHE 98.A N GLU 94.A O no hydrogen 3.020 N/A LEU 99.A N THR 95.A O no hydrogen 3.026 N/A ASN 100.A N ALA 96.A O no hydrogen 2.773 N/A LEU 101.A N PHE 98.A O no hydrogen 3.201 N/A THR 102.A N LEU 99.A O no hydrogen 3.272 N/A THR 102.A OG1 PHE 98.A O no hydrogen 2.670 N/A ILE 103.A N LEU 99.A O no hydrogen 3.256 N/A LYS 104.A NZ ALA 199.A O no hydrogen 2.696 N/A LYS 104.A NZ PHE 201.A O no hydrogen 3.388 N/A LYS 107.A N SER 105.A OG no hydrogen 2.703 N/A LYS 107.A NZ PHE 77.A O no hydrogen 3.255 N/A LYS 107.A NZ ILE 81.A O no hydrogen 3.150 N/A VAL 110.A N VAL 84.A O no hydrogen 2.859 N/A VAL 112.A N ILE 86.A O no hydrogen 2.857 N/A ARG 115.A NH1 SER 121.A O no hydrogen 2.708 N/A SER 117.A N GLY 15.A O no hydrogen 3.256 N/A SER 117.A OG GLY 15.A O no hydrogen 2.835 N/A THR 118.A OG1 ILE 17.A O no hydrogen 3.212 N/A ALA 119.A N PRO 116.A O no hydrogen 2.949 N/A ILE 120.A N THR 20.A O no hydrogen 2.974 N/A LYS 126.A NZ ASP 182.A OD1 no hydrogen 3.232 N/A ASN 127.A ND2 GLY 113.A O no hydrogen 2.828 N/A LEU 128.A N GLY 124.A O no hydrogen 2.808 N/A TYR 129.A N PRO 125.A O no hydrogen 3.018 N/A ASN 130.A N LYS 126.A O no hydrogen 2.843 N/A ALA 131.A N ASN 127.A O no hydrogen 3.023 N/A VAL 132.A N LEU 128.A O no hydrogen 3.030 N/A ALA 133.A N TYR 129.A O no hydrogen 3.079 N/A LEU 134.A N ASN 130.A O no hydrogen 3.007 N/A VAL 135.A N ALA 131.A O no hydrogen 3.167 N/A ASN 137.A N LEU 134.A O no hydrogen 3.073 N/A LYS 138.A NZ GLU 139.A OE2 no hydrogen 3.447 N/A ALA 140.A N ASN 137.A O no hydrogen 3.241 N/A ASN 142.A N ASP 106.A O no hydrogen 2.703 N/A LYS 143.A NZ GLU 139.A O no hydrogen 2.666 N/A VAL 145.A N ASN 100.A OD1 no hydrogen 3.005 N/A VAL 146.A N LEU 153.A O no hydrogen 2.880 N/A ALA 147.A N LEU 111.A O no hydrogen 3.031 N/A ILE 148.A N LYS 151.A O no hydrogen 3.142 N/A ASN 149.A N ASN 127.A OD1 no hydrogen 3.085 N/A ASN 149.A ND2 ASP 167.A OD1 no hydrogen 2.788 N/A LYS 151.A N ILE 148.A O no hydrogen 3.064 N/A LYS 151.A NZ ASP 167.A OD1 no hydrogen 2.911 N/A LYS 151.A NZ ASP 167.A OD2 no hydrogen 3.298 N/A ILE 152.A N GLY 178.A O no hydrogen 2.901 N/A LEU 153.A N VAL 146.A O no hydrogen 2.867 N/A ALA 155.A N VAL 145.A O no hydrogen 2.916 N/A ARG 156.A NE TYR 322.A O no hydrogen 2.732 N/A ARG 156.A NH1 ARG 156.A O no hydrogen 3.048 N/A ARG 156.A NH1 ASP 293.A OD1 no hydrogen 3.420 N/A ARG 156.A NH1 ASP 293.A OD2 no hydrogen 3.114 N/A ARG 156.A NH2 ASP 293.A OD1 no hydrogen 2.793 N/A GLY 157.A N SER 154.A O no hydrogen 3.026 N/A VAL 158.A N SER 154.A O no hydrogen 2.809 N/A VAL 159.A N SER 170.A O no hydrogen 2.832 N/A LYS 160.A N GLU 93.A OE1 no hydrogen 3.097 N/A LYS 160.A NZ THR 90.A OG1 no hydrogen 2.582 N/A LYS 160.A NZ ASP 91.A OD1 no hydrogen 3.046 N/A THR 161.A N ALA 168.A O no hydrogen 2.679 N/A THR 161.A OG1 ALA 168.A O no hydrogen 3.511 N/A THR 161.A OG1 SER 170.A OG no hydrogen 2.930 N/A HIS 162.A N ALA 168.A O no hydrogen 3.170 N/A LEU 164.A N HIS 162.A ND1 no hydrogen 3.106 N/A ASN 165.A N HIS 162.A ND1 no hydrogen 2.980 N/A ASP 167.A N ASN 165.A OD1 no hydrogen 2.861 N/A SER 170.A N VAL 159.A O no hydrogen 3.124 N/A SER 170.A OG THR 161.A OG1 no hydrogen 2.930 N/A GLY 175.A N SER 171.A O no hydrogen 3.096 N/A LEU 177.A N ILE 152.A O no hydrogen 2.866 N/A GLY 178.A N ILE 152.A O no hydrogen 3.248 N/A TYR 179.A N PHE 186.A O no hydrogen 2.777 N/A ILE 180.A N ASP 150.A O no hydrogen 2.656 N/A VAL 181.A N LYS 184.A O no hydrogen 2.893 N/A LYS 184.A N VAL 181.A O no hydrogen 2.847 N/A PHE 186.A N TYR 179.A O no hydrogen 2.914 N/A TYR 188.A N LEU 177.A O no hydrogen 2.638 N/A ASN 189.A N LEU 177.A O no hydrogen 3.045 N/A LYS 193.A NZ LEU 320.A O no hydrogen 2.888 N/A HIS 195.A ND1 THR 196.A OG1 no hydrogen 2.833 N/A THR 196.A N ASN 100.A O no hydrogen 2.964 N/A THR 196.A OG1 HIS 195.A ND1 no hydrogen 2.833 N/A LYS 197.A NZ ASP 106.A OD1 no hydrogen 3.385 N/A LYS 197.A NZ ASP 106.A OD2 no hydrogen 3.155 N/A ASN 198.A N HIS 195.A O no hydrogen 2.804 N/A ALA 199.A N THR 196.A O no hydrogen 3.054 N/A SER 204.A N ASP 202.A OD1 no hydrogen 2.961 N/A SER 204.A OG ASP 202.A OD1 no hydrogen 3.038 N/A LYS 205.A NZ SER 204.A OG no hydrogen 3.160 N/A LEU 206.A N VAL 203.A O no hydrogen 3.188 N/A LYS 211.A NZ HIS 233.A O no hydrogen 2.981 N/A ASP 213.A N GLY 237.A O no hydrogen 2.955 N/A LEU 215.A N VAL 239.A O no hydrogen 2.828 N/A SER 217.A N ALA 241.A O no hydrogen 3.191 N/A SER 217.A OG ASP 221.A OD2 no hydrogen 2.797 N/A ASN 220.A ND2 ASN 220.A O no hydrogen 3.031 N/A GLY 222.A N TYR 218.A OH no hydrogen 3.315 N/A SER 223.A N ASP 221.A OD1 no hydrogen 2.691 N/A SER 223.A OG TYR 216.A O no hydrogen 2.963 N/A SER 223.A OG ASP 221.A OD1 no hydrogen 2.970 N/A ALA 227.A N SER 223.A O no hydrogen 2.764 N/A LYS 228.A N GLY 224.A O no hydrogen 3.256 N/A ALA 229.A N VAL 225.A O no hydrogen 3.420 N/A LEU 230.A N ALA 226.A O no hydrogen 2.969 N/A PHE 231.A N ALA 227.A O no hydrogen 2.983 N/A GLU 232.A N LYS 228.A O no hydrogen 2.934 N/A HIS 233.A N ALA 229.A O no hydrogen 2.928 N/A HIS 233.A N LEU 230.A O no hydrogen 3.075 N/A HIS 233.A ND1 ALA 229.A O no hydrogen 2.946 N/A GLY 234.A N PHE 231.A O no hydrogen 3.372 N/A THR 235.A N LEU 230.A O no hydrogen 2.944 N/A THR 235.A OG1 ASP 213.A OD2 no hydrogen 2.717 N/A THR 235.A OG1 LEU 230.A O no hydrogen 3.034 N/A LYS 236.A N LYS 211.A O no hydrogen 2.931 N/A GLY 237.A N LYS 211.A O no hydrogen 3.186 N/A ILE 238.A N LYS 265.A O no hydrogen 2.995 N/A VAL 239.A N ASP 213.A O no hydrogen 2.816 N/A VAL 240.A N VAL 267.A O no hydrogen 2.960 N/A ALA 241.A N LEU 215.A O no hydrogen 2.786 N/A GLY 242.A N SER 269.A O no hydrogen 2.941 N/A SER 243.A N SER 247.A O no hydrogen 2.878 N/A GLY 246.A N SER 243.A O no hydrogen 3.101 N/A SER 247.A N SER 243.A O no hydrogen 2.686 N/A HIS 249.A N SER 217.A OG no hydrogen 2.949 N/A ASN 251.A N HIS 249.A ND1 no hydrogen 2.905 N/A ASN 251.A ND2 ASP 221.A O no hydrogen 3.259 N/A LYS 253.A N HIS 249.A O no hydrogen 2.944 N/A LYS 253.A NZ ASP 283.A OD2 no hydrogen 2.739 N/A ASP 254.A N LYS 250.A O no hydrogen 3.025 N/A LEU 256.A N GLN 252.A O no hydrogen 2.983 N/A LYS 257.A N LYS 253.A O no hydrogen 2.806 N/A GLU 258.A N ASP 254.A O no hydrogen 3.057 N/A LEU 259.A N VAL 255.A O no hydrogen 2.897 N/A LEU 260.A N LEU 256.A O no hydrogen 2.787 N/A LYS 261.A N LYS 257.A O no hydrogen 3.346 N/A LYS 262.A N LEU 259.A O no hydrogen 3.049 N/A GLY 263.A N LEU 260.A O no hydrogen 3.071 N/A LEU 264.A N LEU 259.A O no hydrogen 3.010 N/A LYS 265.A N LYS 236.A O no hydrogen 3.237 N/A LYS 265.A NZ SER 310.A O no hydrogen 2.877 N/A VAL 267.A N ILE 238.A O no hydrogen 2.968 N/A VAL 268.A N ILE 289.A O no hydrogen 2.613 N/A SER 269.A N VAL 240.A O no hydrogen 2.796 N/A SER 269.A OG LEU 294.A O no hydrogen 2.993 N/A SER 270.A N SER 269.A OG no hydrogen 2.745 N/A SER 270.A OG GLY 244.A O no hydrogen 2.492 N/A ARG 271.A N GLY 242.A O no hydrogen 2.712 N/A VAL 272.A N SER 270.A OG no hydrogen 3.303 N/A GLY 275.A N ASP 173.A OD1 no hydrogen 2.679 N/A VAL 277.A N GLU 292.A O no hydrogen 2.963 N/A ALA 278.A N ALA 245.A O no hydrogen 2.838 N/A SER 280.A OG SER 282.A OG no hydrogen 3.255 N/A SER 282.A OG SER 280.A OG no hydrogen 3.255 N/A ASP 283.A N SER 280.A O no hydrogen 2.947 N/A ASP 283.A N SER 280.A OG no hydrogen 3.298 N/A GLU 284.A N SER 280.A O no hydrogen 3.063 N/A LYS 285.A N ASP 281.A O no hydrogen 3.067 N/A LEU 286.A N SER 282.A O no hydrogen 3.211 N/A GLY 287.A N ASP 283.A O no hydrogen 3.056 N/A GLY 287.A N GLU 284.A O no hydrogen 3.169 N/A PHE 288.A N ASP 283.A O no hydrogen 2.949 N/A ILE 289.A N VAL 266.A O no hydrogen 2.943 N/A SER 290.A OG GLU 292.A OE2 no hydrogen 3.244 N/A ALA 291.A N VAL 268.A O no hydrogen 2.884 N/A GLU 292.A N SER 290.A OG no hydrogen 3.109 N/A LEU 294.A N ALA 291.A O no hydrogen 3.067 N/A ASN 295.A ND2 GLU 93.A OE2 no hydrogen 3.100 N/A GLN 297.A N GLN 297.A OE1 no hydrogen 2.652 N/A GLN 297.A NE2 GLU 93.A OE2 no hydrogen 3.192 N/A LYS 298.A N ASN 295.A OD1 no hydrogen 3.105 N/A LYS 298.A NZ ALA 155.A O no hydrogen 2.763 N/A LYS 298.A NZ VAL 158.A O no hydrogen 2.797 N/A ALA 299.A N ASN 295.A O no hydrogen 2.648 N/A ARG 300.A N PRO 296.A O no hydrogen 2.953 N/A ARG 300.A NE VAL 212.A O no hydrogen 2.839 N/A ARG 300.A NH2 ASP 63.A OD1 no hydrogen 3.287 N/A LEU 302.A N LYS 298.A O no hydrogen 3.315 N/A LEU 303.A N ALA 299.A O no hydrogen 3.080 N/A ALA 305.A N LEU 302.A O no hydrogen 2.889 N/A LEU 306.A N LEU 303.A O no hydrogen 2.978 N/A THR 307.A N LEU 304.A O no hydrogen 3.032 N/A THR 307.A OG1 LEU 304.A O no hydrogen 2.784 N/A LYS 308.A N ALA 305.A O no hydrogen 3.193 N/A LYS 308.A NZ PRO 200.A O no hydrogen 2.914 N/A THR 309.A N ALA 305.A O no hydrogen 2.987 N/A ASP 311.A N THR 309.A OG1 no hydrogen 3.067 N/A LYS 313.A N ASP 311.A OD1 no hydrogen 2.952 N/A LYS 314.A N ASP 311.A O no hydrogen 2.824 N/A LYS 314.A NZ GLU 317.A OE2 no hydrogen 3.545 N/A ILE 315.A N ASP 311.A O no hydrogen 2.981 N/A GLN 316.A N PRO 312.A O no hydrogen 2.913 N/A GLU 317.A N LYS 313.A O no hydrogen 3.295 N/A TYR 318.A N LYS 314.A O no hydrogen 3.012 N/A PHE 319.A N ILE 315.A O no hydrogen 2.996 N/A LYS 321.A N TYR 318.A O no hydrogen 2.951 N/A LYS 321.A NZ TYR 322.A OH no hydrogen 2.894 N/A TYR 322.A N TYR 318.A O no hydrogen 2.995 N/A