Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 1aqy_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): TYR 2.A OH GLN 155.A O no hydrogen 2.850 N/A GLU 4.A N GLU 1.A O no hydrogen 2.997 N/A VAL 5.A N GLU 1.A O no hydrogen 3.257 N/A VAL 5.A N TYR 2.A O no hydrogen 3.224 N/A PHE 6.A N TYR 2.A O no hydrogen 2.954 N/A GLY 7.A N MET 14.A O no hydrogen 2.831 N/A PHE 9.A N VAL 12.A O no hydrogen 2.847 N/A ARG 10.A NH1 GLU 26.A OE2 no hydrogen 2.691 N/A ARG 10.A NH2 GLU 26.A OE1 no hydrogen 3.536 N/A ARG 10.A NH2 GLU 26.A OE2 no hydrogen 3.508 N/A VAL 12.A N PHE 9.A O no hydrogen 3.082 N/A MET 14.A N GLY 7.A O no hydrogen 2.922 N/A LYS 16.A N VAL 5.A O no hydrogen 3.227 N/A LYS 16.A NZ TYR 3.A O no hydrogen 3.144 N/A LYS 16.A NZ GLU 4.A O no hydrogen 3.213 N/A ARG 17.A N ASP 15.A OD1 no hydrogen 2.958 N/A ARG 17.A NE ASP 15.A OD1 no hydrogen 3.210 N/A ARG 17.A NE ASP 15.A OD2 no hydrogen 3.508 N/A ARG 17.A NH2 ASP 15.A OD2 no hydrogen 3.143 N/A ARG 17.A NH2 SER 137.A OG no hydrogen 2.983 N/A PHE 18.A N ASP 15.A O no hydrogen 2.940 N/A THR 19.A N LYS 16.A O no hydrogen 3.248 N/A THR 19.A OG1 LYS 16.A O no hydrogen 3.357 N/A LYS 20.A N LYS 16.A O no hydrogen 3.152 N/A LYS 20.A NZ GLU 76.A OE2 no hydrogen 3.065 N/A TYR 21.A OH GLU 76.A OE1 no hydrogen 2.827 N/A TRP 22.A N THR 19.A O no hydrogen 3.200 N/A ASP 24.A N TYR 21.A O no hydrogen 3.091 N/A VAL 25.A N TRP 22.A O no hydrogen 2.913 N/A GLU 26.A N TRP 22.A O no hydrogen 3.003 N/A MET 27.A N GLU 23.A O no hydrogen 3.091 N/A PHE 28.A N VAL 25.A O no hydrogen 3.111 N/A ALA 30.A N SER 106.A OG no hydrogen 3.153 N/A ARG 31.A N ASP 34.A OD2 no hydrogen 2.992 N/A ARG 31.A NH1 LYS 88.A O no hydrogen 3.112 N/A ARG 31.A NH1 SER 90.A OG no hydrogen 2.766 N/A ARG 31.A NH2 LYS 88.A O no hydrogen 3.523 N/A ASP 34.A N ARG 31.A O no hydrogen 3.167 N/A LEU 35.A N ARG 92.A O no hydrogen 3.057 N/A VAL 36.A N LYS 113.A O no hydrogen 3.231 N/A ILE 37.A N VAL 94.A O no hydrogen 2.853 N/A ALA 38.A N ILE 115.A O no hydrogen 2.908 N/A THR 39.A N THR 96.A O no hydrogen 3.293 N/A THR 39.A OG1 TYR 40.A O no hydrogen 3.511 N/A THR 39.A OG1 THR 45.A OG1 no hydrogen 2.820 N/A THR 39.A OG1 HIS 97.A ND1 no hydrogen 3.030 N/A TYR 40.A OH GLY 159.A O no hydrogen 2.780 N/A SER 43.A OG TYR 40.A O no hydrogen 2.861 N/A THR 45.A OG1 THR 39.A OG1 no hydrogen 2.820 N/A ILE 48.A N GLY 44.A O no hydrogen 3.257 N/A SER 49.A N THR 45.A O no hydrogen 3.095 N/A SER 49.A OG THR 45.A O no hydrogen 2.832 N/A GLU 50.A N THR 46.A O no hydrogen 3.213 N/A VAL 51.A N TRP 47.A O no hydrogen 3.313 N/A VAL 52.A N ILE 48.A O no hydrogen 3.110 N/A TYR 53.A N SER 49.A O no hydrogen 3.065 N/A MET 54.A N GLU 50.A O no hydrogen 3.098 N/A ILE 55.A N VAL 51.A O no hydrogen 3.232 N/A TYR 56.A N VAL 52.A O no hydrogen 3.061 N/A LYS 57.A N TYR 53.A O no hydrogen 3.115 N/A GLU 58.A N ILE 55.A O no hydrogen 3.013 N/A GLY 59.A N MET 54.A O no hydrogen 2.845 N/A ASP 60.A N LYS 57.A O no hydrogen 3.236 N/A ALA 63.A N ASP 62.A OD1 no hydrogen 3.040 N/A ILE 64.A N SER 226.A O no hydrogen 3.116 N/A ASN 66.A N ALA 63.A O no hydrogen 3.034 N/A ASN 66.A ND2 ASP 62.A OD1 no hydrogen 3.062 N/A ARG 67.A N ALA 63.A O no hydrogen 3.191 N/A ARG 67.A NE ASP 62.A O no hydrogen 2.924 N/A ARG 67.A NH1 GLU 50.A OE1 no hydrogen 3.200 N/A ARG 67.A NH2 GLU 50.A OE1 no hydrogen 3.227 N/A ARG 67.A NH2 SER 226.A OG no hydrogen 2.907 N/A ILE 68.A N ILE 64.A O no hydrogen 2.934 N/A TYR 70.A OH TYR 158.A OH no hydrogen 2.915 N/A LEU 71.A N LYS 95.A O no hydrogen 2.926 N/A GLU 72.A N GLU 72.A OE1 no hydrogen 2.892 N/A CYS 73.A N TYR 70.A O no hydrogen 3.138 N/A ARG 74.A NE GLU 76.A O no hydrogen 2.959 N/A ARG 74.A NH1 ASP 24.A OD2 no hydrogen 3.197 N/A ASN 75.A N ILE 79.A O no hydrogen 2.995 N/A LEU 78.A N ASN 75.A O no hydrogen 3.202 N/A ILE 79.A N ASN 75.A O no hydrogen 3.453 N/A GLY 81.A N CYS 73.A O no hydrogen 3.101 N/A LYS 83.A NZ GLU 87.A OE2 no hydrogen 2.939 N/A GLN 84.A N ASN 80.A O no hydrogen 3.282 N/A LEU 85.A N GLY 81.A O no hydrogen 3.082 N/A LYS 86.A N ILE 82.A O no hydrogen 2.991 N/A GLU 87.A N LYS 83.A O no hydrogen 3.319 N/A LYS 88.A N LEU 85.A O no hydrogen 3.167 N/A LYS 88.A NZ ASN 66.A O no hydrogen 3.058 N/A ARG 92.A NE ASP 34.A OD1 no hydrogen 2.882 N/A ARG 92.A NH1 LEU 85.A O no hydrogen 2.973 N/A ARG 92.A NH2 LEU 29.A O no hydrogen 3.284 N/A ARG 92.A NH2 ASP 34.A OD1 no hydrogen 3.561 N/A ARG 92.A NH2 ASP 34.A OD2 no hydrogen 2.843 N/A VAL 94.A N LEU 35.A O no hydrogen 2.897 N/A LYS 95.A N PRO 69.A O no hydrogen 3.074 N/A THR 96.A N ILE 37.A O no hydrogen 3.155 N/A THR 96.A OG1 GLU 72.A OE1 no hydrogen 2.796 N/A THR 96.A OG1 GLU 72.A OE2 no hydrogen 3.529 N/A HIS 97.A N GLU 72.A OE2 no hydrogen 3.148 N/A HIS 97.A ND1 THR 39.A O no hydrogen 2.989 N/A LEU 98.A N THR 96.A OG1 no hydrogen 3.281 N/A LYS 101.A NZ ARG 10.A O no hydrogen 3.546 N/A LEU 102.A N PRO 99.A O no hydrogen 3.102 N/A LEU 103.A N PRO 100.A O no hydrogen 3.432 N/A PHE 107.A N PRO 104.A O no hydrogen 3.210 N/A TRP 108.A N ALA 105.A O no hydrogen 3.085 N/A GLU 109.A N ALA 105.A O no hydrogen 3.045 N/A LYS 110.A N SER 106.A O no hydrogen 3.072 N/A ASN 111.A N TRP 108.A O no hydrogen 2.990 N/A CYS 112.A N PHE 107.A O no hydrogen 3.349 N/A CYS 112.A SG ARG 31.A O no hydrogen 3.378 N/A CYS 112.A SG PHE 107.A O no hydrogen 3.869 N/A LYS 113.A NZ PHE 199.A O no hydrogen 3.137 N/A LYS 113.A NZ GLU 201.A OE2 no hydrogen 3.015 N/A MET 114.A N ARG 176.A O no hydrogen 2.953 N/A ILE 115.A N VAL 36.A O no hydrogen 2.792 N/A TYR 116.A N LEU 178.A O no hydrogen 2.851 N/A TYR 116.A OH HIS 164.A ND1 no hydrogen 2.960 N/A LEU 117.A N ALA 38.A O no hydrogen 3.193 N/A CYS 118.A N MET 180.A O no hydrogen 3.120 N/A CYS 118.A SG MET 180.A O no hydrogen 3.827 N/A ARG 119.A NH1 LYS 42.A O no hydrogen 3.221 N/A ARG 119.A NH2 ILE 249.A O no hydrogen 3.211 N/A ASN 120.A N GLU 183.A OE2 no hydrogen 3.091 N/A LYS 122.A NZ ASP 266.A OD1 no hydrogen 3.019 N/A ASP 123.A N ASN 120.A O no hydrogen 3.177 N/A VAL 124.A N ASN 120.A O no hydrogen 3.172 N/A ALA 125.A N ALA 121.A O no hydrogen 3.099 N/A VAL 126.A N LYS 122.A O no hydrogen 3.421 N/A SER 127.A N ASP 123.A O no hydrogen 3.317 N/A TYR 128.A N VAL 124.A O no hydrogen 2.902 N/A TYR 128.A OH PRO 157.A O no hydrogen 2.728 N/A TYR 129.A N ALA 125.A O no hydrogen 3.110 N/A TYR 130.A N VAL 126.A O no hydrogen 3.428 N/A TYR 130.A OH HIS 256.A NE2 no hydrogen 2.980 N/A PHE 131.A N SER 127.A O no hydrogen 3.238 N/A LEU 132.A N TYR 128.A O no hydrogen 3.202 N/A MET 134.A N TYR 130.A O no hydrogen 3.018 N/A ILE 135.A N PHE 131.A O no hydrogen 3.034 N/A THR 136.A N MET 236.A O no hydrogen 3.204 N/A THR 136.A OG1 GLU 235.A O no hydrogen 2.781 N/A THR 136.A OG1 MET 236.A O no hydrogen 3.270 N/A TYR 138.A N ILE 135.A O no hydrogen 3.174 N/A TYR 138.A OH ASP 15.A OD2 no hydrogen 2.781 N/A GLU 146.A N SER 143.A OG no hydrogen 3.260 N/A PHE 147.A N SER 143.A O no hydrogen 3.181 N/A VAL 148.A N PHE 144.A O no hydrogen 2.982 N/A GLU 149.A N SER 145.A O no hydrogen 3.045 N/A LYS 150.A N GLU 146.A O no hydrogen 3.437 N/A PHE 151.A N PHE 147.A O no hydrogen 2.935 N/A MET 152.A N VAL 148.A O no hydrogen 3.039 N/A GLN 153.A N LYS 150.A O no hydrogen 3.085 N/A GLY 154.A N PHE 151.A O no hydrogen 3.137 N/A GLN 155.A N LYS 150.A O no hydrogen 2.965 N/A GLN 155.A NE2 TYR 3.A OH no hydrogen 2.612 N/A TYR 158.A N LEU 13.A O no hydrogen 2.789 N/A TYR 158.A OH TYR 70.A OH no hydrogen 2.915 N/A TYR 158.A OH GLU 72.A OE2 no hydrogen 2.630 N/A GLY 159.A N VAL 156.A O no hydrogen 2.967 N/A ASP 163.A N SER 160.A OG no hydrogen 3.131 N/A HIS 164.A N SER 160.A O no hydrogen 3.073 N/A HIS 164.A ND1 TYR 116.A OH no hydrogen 2.960 N/A HIS 164.A NE2 HIS 97.A O no hydrogen 2.953 N/A VAL 165.A N TRP 161.A O no hydrogen 3.046 N/A LYS 166.A N TYR 162.A O no hydrogen 3.155 N/A LYS 166.A NZ GLN 272.A O no hydrogen 2.972 N/A ALA 167.A N ASP 163.A O no hydrogen 3.117 N/A TRP 168.A N HIS 164.A O no hydrogen 3.205 N/A TRP 168.A NE1 LEU 98.A O no hydrogen 3.165 N/A TRP 169.A N VAL 165.A O no hydrogen 2.967 N/A TRP 169.A NE1 THR 277.A OG1 no hydrogen 3.125 N/A GLU 170.A N LYS 166.A O no hydrogen 3.281 N/A LYS 171.A N ALA 167.A O no hydrogen 3.263 N/A SER 172.A N TRP 168.A O no hydrogen 3.116 N/A SER 172.A N TRP 169.A O no hydrogen 3.178 N/A SER 172.A OG TRP 169.A O no hydrogen 2.642 N/A LYS 173.A N GLU 170.A O no hydrogen 3.355 N/A ASN 174.A N LYS 171.A O no hydrogen 3.244 N/A ASN 174.A ND2 ASN 111.A OD1 no hydrogen 3.553 N/A ARG 176.A N ASN 174.A OD1 no hydrogen 2.817 N/A ARG 176.A NE ASN 111.A O no hydrogen 2.860 N/A ARG 176.A NH2 ASN 111.A O no hydrogen 3.359 N/A VAL 177.A N ASN 174.A O no hydrogen 3.198 N/A LEU 178.A N MET 114.A O no hydrogen 2.995 N/A MET 180.A N TYR 116.A O no hydrogen 2.917 N/A TYR 182.A N CYS 118.A O no hydrogen 2.934 N/A GLU 183.A N GLU 183.A OE1 no hydrogen 2.797 N/A ASP 184.A N PHE 181.A O no hydrogen 3.119 N/A MET 185.A N PHE 181.A O no hydrogen 3.339 N/A LYS 186.A N TYR 182.A O no hydrogen 3.062 N/A LYS 186.A NZ GLY 248.A O no hydrogen 2.794 N/A GLU 187.A N GLU 183.A O no hydrogen 3.049 N/A ASP 188.A N ASP 184.A O no hydrogen 2.866 N/A ARG 190.A NH2 ASP 210.A OD1 no hydrogen 2.946 N/A ARG 191.A NE ASP 188.A OD2 no hydrogen 2.738 N/A GLU 192.A N ASP 188.A O no hydrogen 3.336 N/A VAL 193.A N ILE 189.A O no hydrogen 2.916 N/A VAL 194.A N ARG 190.A O no hydrogen 3.147 N/A LYS 195.A N ARG 191.A O no hydrogen 3.099 N/A LYS 195.A NZ GLU 192.A OE1 no hydrogen 3.425 N/A LEU 196.A N GLU 192.A O no hydrogen 3.146 N/A ILE 197.A N VAL 193.A O no hydrogen 3.013 N/A GLU 198.A N VAL 194.A O no hydrogen 3.125 N/A PHE 199.A N LYS 195.A O no hydrogen 3.034 N/A LEU 200.A N LEU 196.A O no hydrogen 3.098 N/A GLU 201.A N GLU 198.A O no hydrogen 2.984 N/A ARG 202.A N ILE 197.A O no hydrogen 3.012 N/A ARG 202.A NE LEU 200.A O no hydrogen 3.482 N/A ARG 202.A NH2 LEU 200.A O no hydrogen 3.535 N/A SER 205.A N LYS 203.A O no hydrogen 3.011 N/A LEU 208.A N SER 205.A OG no hydrogen 3.046 N/A VAL 209.A N SER 205.A O no hydrogen 3.207 N/A ASP 210.A N ALA 206.A O no hydrogen 3.279 N/A ARG 211.A N GLU 207.A O no hydrogen 3.205 N/A ILE 212.A N LEU 208.A O no hydrogen 3.202 N/A ILE 213.A N VAL 209.A O no hydrogen 3.225 N/A GLN 214.A N ASP 210.A O no hydrogen 3.279 N/A HIS 215.A N ARG 211.A O no hydrogen 3.072 N/A THR 216.A N ILE 212.A O no hydrogen 3.055 N/A THR 216.A OG1 ILE 212.A O no hydrogen 2.899 N/A GLU 220.A N SER 217.A OG no hydrogen 3.357 N/A MET 221.A N SER 217.A O no hydrogen 3.078 N/A LYS 222.A N PHE 218.A O no hydrogen 3.095 N/A LYS 222.A NZ MET 245.A O no hydrogen 3.325 N/A ASN 223.A N GLU 220.A O no hydrogen 2.894 N/A ASN 224.A N MET 221.A O no hydrogen 3.345 N/A SER 226.A OG ASP 62.A O no hydrogen 2.958 N/A THR 227.A N ASN 224.A O no hydrogen 3.049 N/A THR 227.A OG1 MET 221.A O no hydrogen 3.208 N/A THR 227.A OG1 ASN 224.A O no hydrogen 3.398 N/A ASN 228.A N ASN 224.A O no hydrogen 2.950 N/A ASN 228.A ND2 THR 230.A OG1 no hydrogen 2.799 N/A GLU 235.A N GLU 235.A OE1 no hydrogen 3.247 N/A MET 236.A N PRO 233.A O no hydrogen 3.119 N/A MET 237.A N PRO 233.A O no hydrogen 3.005 N/A ASN 238.A N MET 134.A O no hydrogen 3.152 N/A GLN 239.A NE2 ASN 228.A O no hydrogen 3.092 N/A GLN 239.A NE2 TYR 229.A O no hydrogen 3.180 N/A LYS 240.A N ASN 238.A OD1 no hydrogen 2.967 N/A LYS 240.A NZ GLU 234.A OE2 no hydrogen 3.517 N/A VAL 241.A N ASN 238.A O no hydrogen 3.139 N/A PHE 244.A N GLN 239.A OE1 no hydrogen 2.920 N/A ARG 246.A NH1 ASP 252.A OD2 no hydrogen 3.022 N/A ARG 246.A NH2 ASP 252.A OD2 no hydrogen 3.023 N/A LYS 247.A NZ ASP 252.A OD1 no hydrogen 2.960 N/A GLY 251.A N ASP 123.A OD2 no hydrogen 2.826 N/A TRP 253.A N ASP 123.A OD1 no hydrogen 3.163 N/A LYS 254.A N GLY 251.A O no hydrogen 3.206 N/A ASN 255.A N ASP 252.A O no hydrogen 3.056 N/A ASN 255.A ND2 ASP 252.A OD1 no hydrogen 2.864 N/A HIS 256.A N TRP 253.A O no hydrogen 3.138 N/A HIS 256.A ND1 ASP 252.A O no hydrogen 2.942 N/A HIS 256.A NE2 TYR 130.A OH no hydrogen 2.980 N/A PHE 257.A N TRP 253.A O no hydrogen 3.036 N/A ARG 262.A N PRO 258.A O no hydrogen 3.124 N/A ARG 262.A NE ASP 266.A OD2 no hydrogen 3.207 N/A GLU 263.A N GLU 259.A O no hydrogen 3.395 N/A ARG 264.A N ALA 260.A O no hydrogen 3.461 N/A ARG 264.A NH1 GLU 149.A OE2 no hydrogen 2.614 N/A ARG 264.A NH2 GLU 149.A OE1 no hydrogen 3.197 N/A ARG 264.A NH2 GLU 149.A OE2 no hydrogen 3.507 N/A PHE 265.A N LEU 261.A O no hydrogen 2.987 N/A ASP 266.A N ARG 262.A O no hydrogen 2.976 N/A GLU 267.A N GLU 263.A O no hydrogen 3.142 N/A HIS 268.A N ARG 264.A O no hydrogen 3.043 N/A TYR 269.A N PHE 265.A O no hydrogen 2.846 N/A LYS 270.A N ASP 266.A O no hydrogen 3.123 N/A GLN 271.A N GLU 267.A O no hydrogen 3.427 N/A GLN 272.A N HIS 268.A O no hydrogen 3.159 N/A MET 273.A N TYR 269.A O no hydrogen 2.890 N/A CYS 276.A N MET 273.A O no hydrogen 3.106 N/A ARG 281.A NE ASP 184.A OD1 no hydrogen 2.966 N/A ARG 281.A NH2 ASP 184.A OD1 no hydrogen 3.412 N/A