Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3nqk_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): TYR 2.A N SER 38.A O no hydrogen 3.151 N/A SER 4.A N ILE 36.A O no hydrogen 2.938 N/A LYS 6.A N PRO 34.A O no hydrogen 2.932 N/A GLY 12.A N VAL 16.A O no hydrogen 2.833 N/A VAL 16.A N ASP 14.A OD1 no hydrogen 3.244 N/A THR 17.A N LEU 135.A O no hydrogen 2.739 N/A ILE 19.A N LYS 137.A O no hydrogen 2.954 N/A VAL 21.A N VAL 139.A O no hydrogen 3.133 N/A ARG 22.A NH1 ASP 290.A OD1 no hydrogen 2.317 N/A ARG 22.A NH2 ASN 143.A OD1 no hydrogen 2.805 N/A TYR 23.A N PHE 141.A O no hydrogen 2.903 N/A LYS 28.A N ASP 25.A O no hydrogen 3.415 N/A VAL 29.A N PHE 103.A O no hydrogen 3.057 N/A THR 30.A OG1 ASP 102.A OD1 no hydrogen 2.560 N/A TYR 31.A N ILE 101.A O no hydrogen 2.725 N/A GLN 32.A NE2 ASN 100.A OD1 no hydrogen 2.636 N/A LEU 33.A N LEU 99.A O no hydrogen 3.049 N/A ILE 35.A N GLU 97.A O no hydrogen 2.804 N/A ILE 36.A N SER 4.A O no hydrogen 2.736 N/A VAL 37.A N CYS 95.A O no hydrogen 2.840 N/A SER 38.A N TYR 2.A O no hydrogen 2.914 N/A ASN 43.A ND2 GLN 45.A O no hydrogen 3.282 N/A ASN 43.A ND2 SER 94.A O no hydrogen 2.935 N/A GLN 45.A N ASN 43.A OD1 no hydrogen 3.267 N/A ARG 47.A N ILE 90.A O no hydrogen 2.955 N/A ARG 47.A NE ASP 122.A O no hydrogen 3.079 N/A ARG 47.A NH1 GLN 1.A OE1 no hydrogen 3.347 N/A ARG 47.A NH1 ASN 43.A OD1 no hydrogen 2.978 N/A ILE 49.A N VAL 88.A O no hydrogen 2.867 N/A HIS 50.A N ASP 121.A O no hydrogen 3.057 N/A HIS 50.A ND1 GLU 86.A OE1 no hydrogen 3.023 N/A HIS 50.A ND1 GLU 86.A OE2 no hydrogen 2.862 N/A ILE 51.A N GLU 86.A O no hydrogen 2.840 N/A ALA 52.A N THR 118.A O no hydrogen 3.026 N/A ASP 54.A N PRO 116.A O no hydrogen 2.890 N/A THR 57.A OG1 ASP 54.A OD2 no hydrogen 2.446 N/A LYS 59.A N LYS 55.A O no hydrogen 3.434 N/A THR 60.A N ASP 56.A O no hydrogen 3.048 N/A LEU 61.A N THR 57.A O no hydrogen 2.978 N/A ASN 62.A N LEU 58.A O no hydrogen 3.036 N/A ASN 62.A ND2 TYR 75.A O no hydrogen 2.891 N/A ILE 63.A N LYS 59.A O no hydrogen 3.138 N/A GLU 64.A N THR 60.A O no hydrogen 2.968 N/A ARG 65.A N LEU 61.A O no hydrogen 2.786 N/A PHE 66.A N ASN 62.A O no hydrogen 2.890 N/A SER 67.A N ILE 63.A O no hydrogen 2.967 N/A SER 67.A OG PHE 66.A O no hydrogen 2.612 N/A TYR 69.A N SER 67.A OG no hydrogen 3.003 N/A ARG 70.A NE PHE 66.A O no hydrogen 3.092 N/A GLU 72.A N GLU 72.A OE1 no hydrogen 2.833 N/A LEU 73.A N ARG 70.A O no hydrogen 2.807 N/A TRP 74.A N PRO 71.A O no hydrogen 3.065 N/A TRP 74.A NE1 SER 67.A O no hydrogen 3.151 N/A TYR 75.A N ASN 62.A OD1 no hydrogen 2.764 N/A TYR 75.A OH ASP 14.A OD2 no hydrogen 2.940 N/A THR 76.A N LYS 112.A O no hydrogen 3.009 N/A THR 76.A OG1 GLU 111.A OE1 no hydrogen 2.905 N/A LYS 81.A N GLU 78.A O no hydrogen 3.026 N/A LYS 81.A NZ GLU 78.A OE1 no hydrogen 3.097 N/A LYS 81.A NZ ASP 80.A OD1 no hydrogen 2.662 N/A GLU 83.A N ASP 102.A O no hydrogen 2.982 N/A THR 87.A OG1 GLU 86.A OE1 no hydrogen 3.079 N/A VAL 88.A N ILE 49.A O no hydrogen 2.943 N/A HIS 89.A ND1 ASP 48.A OD1 no hydrogen 3.042 N/A ILE 90.A N ARG 47.A O no hydrogen 2.934 N/A GLY 93.A N ASN 43.A O no hydrogen 2.856 N/A SER 94.A N PRO 91.A O no hydrogen 3.133 N/A GLU 97.A N ILE 35.A O no hydrogen 3.078 N/A LEU 98.A N GLU 97.A OE2 no hydrogen 2.925 N/A LEU 99.A N LEU 33.A O no hydrogen 2.914 N/A ILE 101.A N TYR 31.A O no hydrogen 2.786 N/A ASP 102.A N GLU 83.A O no hydrogen 2.901 N/A PHE 103.A N VAL 29.A O no hydrogen 2.800 N/A ASN 104.A N LYS 81.A O no hydrogen 2.928 N/A LEU 105.A N GLY 27.A O no hydrogen 2.973 N/A ILE 108.A N LEU 105.A O no hydrogen 2.852 N/A GLU 111.A N ASP 109.A O no hydrogen 3.459 N/A LYS 112.A NZ LEU 73.A O no hydrogen 2.854 N/A TRP 113.A NE1 ASP 109.A O no hydrogen 2.950 N/A VAL 114.A N THR 76.A O no hydrogen 2.999 N/A LEU 115.A N LEU 136.A O no hydrogen 2.730 N/A LEU 117.A N ALA 134.A O no hydrogen 2.758 N/A THR 118.A N ALA 52.A O no hydrogen 3.003 N/A ILE 119.A N ALA 132.A O no hydrogen 2.994 N/A VAL 120.A N HIS 50.A O no hydrogen 3.119 N/A GLY 123.A N ASP 121.A OD1 no hydrogen 3.166 N/A SER 124.A N ASP 122.A OD1 no hydrogen 3.056 N/A SER 124.A OG ASP 122.A OD1 no hydrogen 2.758 N/A LYS 133.A NZ.A THR 118.A OG1 no hydrogen 3.346 N/A ALA 134.A N LEU 117.A O no hydrogen 2.779 N/A LEU 136.A N LEU 115.A O no hydrogen 3.075 N/A LYS 137.A N THR 17.A O no hydrogen 2.757 N/A VAL 138.A N TRP 113.A O no hydrogen 3.291 N/A VAL 139.A N ILE 19.A O no hydrogen 2.844 N/A PHE 141.A N VAL 21.A O no hydrogen 2.862 N/A ASN 142.A N SER 145.A OG no hydrogen 3.005 N/A ASN 142.A ND2 ASP 178.A O no hydrogen 2.765 N/A ASN 142.A ND2 SER 181.A O no hydrogen 3.235 N/A TYR 144.A N ASN 142.A OD1 no hydrogen 2.816 N/A SER 145.A OG ASN 142.A O no hydrogen 3.432 N/A SER 145.A OG ASN 142.A OD1 no hydrogen 3.359 N/A GLY 146.A N GLY 174.A O no hydrogen 2.990 N/A TYR 148.A N ARG 172.A O no hydrogen 2.852 N/A TYR 148.A OH TYR 144.A O no hydrogen 2.584 N/A THR 149.A N THR 277.A O no hydrogen 2.829 N/A ALA 150.A N ASP 170.A O no hydrogen 2.927 N/A VAL 154.A N ARG 167.A O no hydrogen 2.930 N/A TYR 155.A N ARG 272.A O no hydrogen 2.791 N/A TYR 157.A N LYS 270.A O no hydrogen 2.941 N/A TYR 157.A OH ASP 253.A OD1 no hydrogen 3.005 N/A ILE 158.A N LYS 161.A O no hydrogen 2.920 N/A LYS 161.A N ILE 158.A O no hydrogen 3.484 N/A ASP 163.A N THR 156.A O no hydrogen 2.919 N/A ASN 165.A N ASP 163.A OD2 no hydrogen 3.159 N/A ASN 165.A ND2 ASP 163.A OD2 no hydrogen 3.396 N/A ARG 167.A N VAL 154.A O no hydrogen 2.968 N/A ARG 172.A N TYR 148.A O no hydrogen 2.962 N/A ARG 172.A NH1 ILE 189.A O no hydrogen 2.895 N/A ARG 172.A NH2 TYR 185.A O no hydrogen 2.799 N/A ARG 172.A NH2 ILE 189.A O no hydrogen 2.946 N/A THR 173.A N GLU 191.A OE2 no hydrogen 2.864 N/A THR 173.A OG1 GLU 191.A OE1 no hydrogen 3.103 N/A GLY 174.A N GLY 146.A O no hydrogen 2.812 N/A TYR 175.A N PHE 183.A O no hydrogen 2.835 N/A VAL 177.A N SER 181.A O no hydrogen 2.944 N/A ASP 178.A N SER 181.A O no hydrogen 3.212 N/A ASN 180.A N ASP 178.A OD1 no hydrogen 3.095 N/A SER 181.A N ASP 178.A O no hydrogen 3.494 N/A SER 181.A OG ASP 178.A OD1 no hydrogen 3.034 N/A SER 181.A OG ASN 180.A OD1 no hydrogen 3.506 N/A SER 181.A OG HIS 204.A ND1 no hydrogen 2.901 N/A ILE 182.A N VAL 203.A O no hydrogen 2.972 N/A PHE 183.A N TYR 175.A O no hydrogen 2.802 N/A PHE 184.A N ILE 201.A O no hydrogen 3.165 N/A ALA 186.A N TYR 199.A O no hydrogen 2.868 N/A GLY 187.A N TYR 252.A OH no hydrogen 2.819 N/A ILE 189.A N ALA 186.A O no hydrogen 3.052 N/A ASP 192.A N ASN 190.A OD1 no hydrogen 2.778 N/A LYS 194.A NZ GLU 111.A OE1 no hydrogen 3.219 N/A ASP 195.A N ASP 193.A OD1 no hydrogen 3.023 N/A ARG 196.A NH2 GLU 72.A O no hydrogen 3.318 N/A LYS 197.A N LYS 194.A O no hydrogen 3.158 N/A LYS 198.A NZ GLU 220.A OE1 no hydrogen 3.523 N/A TYR 199.A N ARG 196.A O no hydrogen 3.014 N/A TYR 199.A OH THR 258.A OG1 no hydrogen 2.761 N/A LYS 200.A N LYS 197.A O no hydrogen 3.335 N/A LYS 200.A NZ ASP 109.A OD1 no hydrogen 2.709 N/A ILE 201.A N PHE 184.A O no hydrogen 2.780 N/A ASN 202.A N LYS 213.A O no hydrogen 2.793 N/A ASN 202.A ND2 ASP 215.A OD1 no hydrogen 3.101 N/A VAL 203.A N ILE 182.A O no hydrogen 2.717 N/A HIS 204.A N ASP 212.A O no hydrogen 2.946 N/A HIS 204.A ND1 SER 181.A OG no hydrogen 2.901 N/A PHE 205.A N ASN 180.A O no hydrogen 3.066 N/A LYS 206.A N THR 210.A O no hydrogen 3.160 N/A GLY 209.A N LYS 206.A O no hydrogen 3.279 N/A THR 210.A N ASP 208.A OD1 no hydrogen 2.951 N/A THR 210.A OG1 ASP 208.A OD1 no hydrogen 2.500 N/A THR 210.A OG1 ASP 208.A OD2 no hydrogen 3.234 N/A LEU 211.A N PRO 228.A O no hydrogen 3.113 N/A ASP 212.A N HIS 204.A O no hydrogen 3.055 N/A GLN 214.A N GLN 214.A OE1 no hydrogen 2.845 N/A ASP 215.A N LYS 200.A O no hydrogen 3.077 N/A SER 218.A N ASP 216.A OD1 no hydrogen 2.921 N/A SER 218.A OG ASP 216.A OD1 no hydrogen 3.143 N/A SER 218.A OG ASP 216.A OD2 no hydrogen 3.526 N/A ASN 219.A N ASP 216.A O no hydrogen 2.936 N/A ASN 219.A ND2 PHE 222.A O no hydrogen 3.011 N/A GLU 220.A N ASP 216.A OD2 no hydrogen 3.496 N/A PHE 222.A N ASN 219.A OD1 no hydrogen 2.676 N/A GLU 223.A N ASP 253.A O no hydrogen 2.980 N/A ILE 225.A N GLU 251.A O no hydrogen 2.968 N/A TYR 230.A N GLY 209.A O no hydrogen 3.191 N/A TYR 230.A OH LYS 206.A O no hydrogen 2.739 N/A SER 231.A N GLN 248.A O no hydrogen 2.931 N/A THR 233.A N TYR 246.A O no hydrogen 2.866 N/A SER 234.A OG GLU 243.A OE2 no hydrogen 3.459 N/A VAL 235.A N ARG 244.A O no hydrogen 3.092 N/A ARG 239.A N ASP 236.A OD2 no hydrogen 2.954 N/A ARG 239.A NE.A TYR 241.A OH no hydrogen 2.503 N/A ARG 239.A NH1.A GLU 294.A OE1 no hydrogen 3.144 N/A ARG 239.A NH2.A GLU 294.A OE1 no hydrogen 3.213 N/A ARG 239.A NH2.A GLU 294.A OE2 no hydrogen 2.754 N/A LEU 242.A N ARG 239.A O no hydrogen 2.796 N/A GLU 243.A N ILE 282.A O no hydrogen 2.717 N/A ARG 244.A N VAL 235.A O no hydrogen 2.723 N/A ARG 244.A NE ASP 236.A OD1 no hydrogen 3.219 N/A ARG 244.A NH1 ASN 281.A OD1 no hydrogen 2.665 N/A ARG 244.A NH2 ASP 236.A OD1 no hydrogen 3.306 N/A ARG 245.A N ARG 280.A O no hydrogen 2.878 N/A TYR 246.A N THR 233.A O no hydrogen 2.728 N/A VAL 247.A N LEU 278.A O no hydrogen 2.844 N/A GLN 248.A N SER 231.A O no hydrogen 2.945 N/A TYR 252.A N VAL 273.A O no hydrogen 2.835 N/A ASP 253.A N GLU 223.A O no hydrogen 2.949 N/A PHE 254.A N TYR 271.A O no hydrogen 3.086 N/A ASP 256.A N ILE 269.A O no hydrogen 2.997 N/A PHE 257.A N TYR 199.A OH no hydrogen 2.866 N/A THR 258.A N ASP 256.A OD1 no hydrogen 2.947 N/A THR 258.A OG1 TYR 199.A OH no hydrogen 2.761 N/A THR 258.A OG1 ASP 256.A OD1 no hydrogen 3.541 N/A TYR 259.A OH ILE 267.A O no hydrogen 2.423 N/A GLY 261.A N THR 258.A O no hydrogen 3.305 N/A THR 264.A OG1 SER 262.A O no hydrogen 3.378 N/A ILE 269.A N ASP 256.A O no hydrogen 3.086 N/A TYR 271.A N PHE 254.A O no hydrogen 2.750 N/A ARG 272.A N TYR 155.A O no hydrogen 2.808 N/A ARG 272.A NE ASP 253.A OD1 no hydrogen 2.570 N/A ARG 272.A NH1 GLU 251.A OE2 no hydrogen 2.931 N/A ARG 272.A NH2 TYR 157.A OH no hydrogen 3.333 N/A VAL 273.A N TYR 252.A O no hydrogen 2.757 N/A ALA 274.A N LYS 153.A O no hydrogen 2.884 N/A GLY 275.A N PHE 250.A O no hydrogen 3.176 N/A THR 277.A N THR 149.A O no hydrogen 3.104 N/A LEU 278.A N VAL 247.A O no hydrogen 2.722 N/A ARG 280.A N ARG 245.A O no hydrogen 2.765 N/A ARG 280.A NH1 ASN 142.A O no hydrogen 3.481 N/A ARG 280.A NH2 ASN 142.A O no hydrogen 3.169 N/A ARG 280.A NH2 SER 145.A O no hydrogen 2.661 N/A ILE 282.A N GLU 243.A O no hydrogen 2.731 N/A ASN 283.A N GLN 292.A O no hydrogen 3.010 N/A THR 284.A N TYR 241.A O no hydrogen 3.050 N/A THR 284.A OG1 TYR 241.A O no hydrogen 2.665 N/A GLN 285.A N ASN 283.A OD1 no hydrogen 2.959 N/A ILE 286.A N ASN 283.A O no hydrogen 3.004 N/A GLN 291.A N ASP 288.A OD2 no hydrogen 3.005 N/A GLN 292.A N ASP 288.A O no hydrogen 3.146 N/A ILE 293.A N ASP 290.A O no hydrogen 3.449 N/A GLU 294.A N ASN 281.A O no hydrogen 3.021 N/A