Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4pgq_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ASN 4.A ND2 HIS 43.A O no hydrogen 3.059 N/A GLY 5.A N THR 2.A O no hydrogen 3.193 N/A THR 8.A N ASN 4.A O no hydrogen 2.995 N/A THR 8.A OG1 ASN 4.A O no hydrogen 3.404 N/A THR 8.A OG1 GLY 5.A O no hydrogen 3.313 N/A ASP 9.A N GLY 5.A O no hydrogen 2.790 N/A MET 10.A N GLY 6.A O no hydrogen 3.163 N/A LEU 11.A N ILE 7.A O no hydrogen 2.986 N/A THR 12.A N THR 8.A O no hydrogen 3.006 N/A THR 12.A OG1 THR 8.A O no hydrogen 2.729 N/A GLU 13.A N ASP 9.A O no hydrogen 2.998 N/A LEU 14.A N MET 10.A O no hydrogen 2.932 N/A ALA 15.A N LEU 11.A O no hydrogen 2.933 N/A ASN 16.A N THR 12.A O no hydrogen 3.063 N/A PHE 17.A N GLU 13.A O no hydrogen 3.324 N/A GLU 18.A N LEU 14.A O no hydrogen 3.170 N/A LYS 19.A N ALA 15.A O no hydrogen 3.117 N/A LYS 19.A NZ ASN 20.A OD1 no hydrogen 2.769 N/A ASN 20.A N ASN 16.A O no hydrogen 2.693 N/A ASN 20.A ND2 ASN 90.A OD1 no hydrogen 2.800 N/A VAL 21.A N PHE 17.A O no hydrogen 2.819 N/A SER 22.A N PHE 17.A O no hydrogen 2.905 N/A ALA 24.A N GLU 18.A O no hydrogen 2.781 N/A TYR 28.A N ALA 24.A O no hydrogen 3.104 N/A ASN 29.A N ILE 25.A O no hydrogen 3.062 N/A ALA 30.A N HIS 26.A O no hydrogen 2.974 N/A TYR 31.A N LYS 27.A O no hydrogen 3.002 N/A ARG 32.A N TYR 28.A O no hydrogen 3.123 N/A LYS 33.A N ASN 29.A O no hydrogen 2.855 N/A ALA 34.A N ALA 30.A O no hydrogen 2.985 N/A ALA 35.A N TYR 31.A O no hydrogen 2.792 N/A SER 36.A N ARG 32.A O no hydrogen 2.715 N/A SER 36.A OG ARG 32.A O no hydrogen 3.122 N/A VAL 37.A N LYS 33.A O no hydrogen 3.087 N/A ILE 38.A N ALA 34.A O no hydrogen 3.172 N/A ALA 39.A N ALA 35.A O no hydrogen 2.974 N/A LYS 40.A N SER 36.A O no hydrogen 3.309 N/A TYR 41.A N ILE 38.A O no hydrogen 3.075 N/A TYR 41.A OH GLU 50.A OE2 no hydrogen 2.614 N/A ILE 45.A N ASN 4.A OD1 no hydrogen 2.865 N/A LYS 46.A N GLU 50.A OE1 no hydrogen 2.823 N/A GLY 48.A N ASP 66.A OD1 no hydrogen 2.642 N/A GLU 50.A N SER 47.A OG no hydrogen 3.042 N/A ALA 51.A N SER 47.A O no hydrogen 3.323 N/A LYS 52.A N GLY 48.A O no hydrogen 2.949 N/A LEU 54.A N ALA 51.A O no hydrogen 2.964 N/A VAL 57.A N LEU 54.A O no hydrogen 3.196 N/A ALA 62.A N GLY 58.A O no hydrogen 3.039 N/A GLU 63.A N THR 59.A O no hydrogen 2.943 N/A LYS 64.A N LYS 60.A O no hydrogen 2.998 N/A LYS 64.A NZ TYR 31.A OH no hydrogen 3.304 N/A ILE 65.A N ILE 61.A O no hydrogen 2.875 N/A ASP 66.A N ALA 62.A O no hydrogen 3.170 N/A GLU 67.A N GLU 63.A O no hydrogen 3.081 N/A PHE 68.A N LYS 64.A O no hydrogen 2.961 N/A LEU 69.A N ILE 65.A O no hydrogen 2.839 N/A ALA 70.A N ASP 66.A O no hydrogen 3.116 N/A THR 71.A N GLU 67.A O no hydrogen 2.965 N/A THR 71.A OG1 GLU 67.A O no hydrogen 2.712 N/A GLY 72.A N PHE 68.A O no hydrogen 2.674 N/A LYS 73.A N THR 71.A OG1 no hydrogen 3.302 N/A ARG 75.A N GLU 67.A OE2 no hydrogen 2.805 N/A GLU 78.A N LEU 74.A O no hydrogen 2.926 N/A LYS 79.A N ARG 75.A O no hydrogen 2.997 N/A ILE 80.A N LYS 76.A O no hydrogen 3.130 N/A ARG 81.A N LEU 77.A O no hydrogen 2.925 N/A ARG 81.A NE GLU 13.A OE1 no hydrogen 3.227 N/A ARG 81.A NE GLU 13.A OE2 no hydrogen 2.785 N/A ARG 81.A NH2 GLU 13.A OE1 no hydrogen 2.545 N/A GLN 82.A N GLU 78.A O no hydrogen 3.276 N/A GLN 82.A N LYS 79.A O no hydrogen 3.271 N/A ASP 83.A N LYS 79.A O no hydrogen 3.255 N/A ASP 83.A N ILE 80.A O no hydrogen 3.117 N/A SER 86.A N ASP 83.A OD2 no hydrogen 2.884 N/A SER 86.A OG ASP 83.A OD2 no hydrogen 3.134 N/A SER 87.A N ASP 83.A O no hydrogen 2.968 N/A SER 87.A OG ASP 83.A O no hydrogen 2.863 N/A SER 87.A OG ASP 84.A O no hydrogen 3.410 N/A SER 88.A N ASP 84.A O no hydrogen 3.132 N/A SER 88.A OG ASP 84.A O no hydrogen 2.716 N/A ILE 89.A N THR 85.A O no hydrogen 2.908 N/A ASN 90.A N SER 86.A O no hydrogen 2.977 N/A PHE 91.A N SER 87.A O no hydrogen 2.987 N/A LEU 92.A N SER 88.A O no hydrogen 2.988 N/A THR 93.A OG1 ASN 90.A O no hydrogen 2.674 N/A ARG 94.A N PHE 91.A O no hydrogen 2.944 N/A ARG 94.A NE GLU 139.A OE2 no hydrogen 2.856 N/A ARG 94.A NH2 GLU 139.A OE1 no hydrogen 3.056 N/A ARG 94.A NH2 GLU 139.A OE2 no hydrogen 3.350 N/A VAL 95.A N LEU 92.A O no hydrogen 2.980 N/A SER 96.A OG HIS 127.A NE2 no hydrogen 2.596 N/A ILE 98.A N VAL 95.A O no hydrogen 2.900 N/A ALA 103.A N GLY 99.A O no hydrogen 2.907 N/A ARG 104.A N PRO 100.A O no hydrogen 3.060 N/A ARG 104.A NH1 VAL 21.A O no hydrogen 2.998 N/A ARG 104.A NH2 VAL 21.A O no hydrogen 2.857 N/A LYS 105.A N SER 101.A O no hydrogen 3.157 N/A PHE 106.A N ALA 102.A O no hydrogen 2.984 N/A VAL 107.A N ALA 103.A O no hydrogen 3.046 N/A ASP 108.A N ARG 104.A O no hydrogen 2.980 N/A GLU 109.A N LYS 105.A O no hydrogen 3.313 N/A GLU 109.A N PHE 106.A O no hydrogen 3.072 N/A GLY 110.A N VAL 107.A O no hydrogen 3.273 N/A ILE 111.A N PHE 106.A O no hydrogen 2.869 N/A LYS 112.A N ASP 116.A OD2 no hydrogen 2.817 N/A LYS 112.A NZ ASP 84.A OD2 no hydrogen 3.336 N/A THR 113.A N ASP 116.A OD2 no hydrogen 2.991 N/A THR 113.A OG1 GLU 115.A OE1 no hydrogen 3.280 N/A ASP 116.A N THR 113.A OG1 no hydrogen 3.108 N/A LEU 117.A N THR 113.A O no hydrogen 3.092 N/A ARG 118.A N LEU 114.A O no hydrogen 2.826 N/A LYS 119.A N GLU 115.A O no hydrogen 3.096 N/A ASN 120.A N LEU 117.A O no hydrogen 3.142 N/A ASN 120.A ND2 ASP 116.A O no hydrogen 2.329 N/A LYS 123.A N ASN 120.A O no hydrogen 3.104 N/A LYS 123.A NZ GLU 109.A OE2 no hydrogen 2.535 N/A LEU 124.A N GLU 121.A O no hydrogen 2.912 N/A ASN 125.A N GLN 128.A OE1 no hydrogen 2.980 N/A HIS 126.A NE2 THR 217.A O no hydrogen 2.852 N/A HIS 127.A NE2 SER 96.A OG no hydrogen 2.596 N/A GLN 128.A N ASN 125.A OD1 no hydrogen 2.809 N/A GLN 128.A NE2 GLY 97.A O no hydrogen 3.120 N/A ARG 129.A N ASN 125.A O no hydrogen 3.112 N/A ARG 129.A NE GLU 121.A O no hydrogen 3.227 N/A ARG 129.A NE LEU 124.A O no hydrogen 2.953 N/A ARG 129.A NH2 GLU 121.A O no hydrogen 3.181 N/A ILE 130.A N HIS 126.A O no hydrogen 3.290 N/A GLY 131.A N HIS 127.A O no hydrogen 2.885 N/A LEU 132.A N GLN 128.A O no hydrogen 2.931 N/A LYS 133.A N ARG 129.A O no hydrogen 2.929 N/A TYR 134.A N ILE 130.A O no hydrogen 3.033 N/A TYR 134.A OH ASP 216.A OD2 no hydrogen 2.645 N/A PHE 135.A N LEU 132.A O no hydrogen 3.162 N/A PHE 138.A N TYR 134.A O no hydrogen 2.847 N/A GLU 139.A N GLY 136.A O no hydrogen 2.997 N/A LYS 140.A N ASP 137.A O no hydrogen 3.005 N/A ARG 141.A NE SER 179.A OG no hydrogen 2.841 N/A ARG 141.A NH2 SER 179.A O no hydrogen 3.133 N/A ILE 142.A N SER 180.A O no hydrogen 2.496 N/A ARG 144.A N GLU 178.A O no hydrogen 3.009 N/A ARG 144.A NH1 PHE 173.A O no hydrogen 2.844 N/A ARG 144.A NH1 ALA 177.A O no hydrogen 3.229 N/A GLU 146.A N PRO 143.A O no hydrogen 2.972 N/A MET 147.A N PRO 143.A O no hydrogen 3.174 N/A LEU 148.A N ARG 144.A O no hydrogen 2.969 N/A GLN 149.A N GLU 145.A O no hydrogen 3.255 N/A GLN 149.A NE2 GLU 145.A OE2 no hydrogen 2.914 N/A MET 150.A N GLU 146.A O no hydrogen 2.791 N/A GLN 151.A N MET 147.A O no hydrogen 2.718 N/A ASP 152.A N LEU 148.A O no hydrogen 2.816 N/A ILE 153.A N GLN 149.A O no hydrogen 3.268 N/A VAL 154.A N MET 150.A O no hydrogen 3.122 N/A LEU 155.A N GLN 151.A O no hydrogen 2.932 N/A ASN 156.A N ASP 152.A O no hydrogen 3.121 N/A GLU 157.A N ILE 153.A O no hydrogen 2.999 N/A VAL 158.A N VAL 154.A O no hydrogen 2.929 N/A LYS 159.A N LEU 155.A O no hydrogen 3.072 N/A LYS 160.A N ASN 156.A O no hydrogen 2.955 N/A LYS 160.A NZ GLU 157.A OE1 no hydrogen 2.949 N/A LYS 160.A NZ GLU 157.A OE2 no hydrogen 3.308 N/A VAL 161.A N GLU 157.A O no hydrogen 3.116 N/A ASP 162.A N VAL 158.A O no hydrogen 3.239 N/A GLU 164.A N ASP 162.A OD1 no hydrogen 2.908 N/A TYR 165.A N ASP 162.A O no hydrogen 3.123 N/A TYR 165.A OH LEU 200.A O no hydrogen 2.548 N/A ILE 166.A N THR 188.A O no hydrogen 2.868 N/A THR 168.A N LEU 186.A O no hydrogen 2.939 N/A THR 168.A OG1 TYR 254.A OH no hydrogen 2.673 N/A CYS 170.A N ASP 184.A O no hydrogen 2.908 N/A CYS 170.A SG THR 168.A O no hydrogen 3.702 N/A CYS 170.A SG VAL 258.A O no hydrogen 4.041 N/A GLY 171.A N PHE 261.A O no hydrogen 2.718 N/A SER 172.A OG SER 180.A OG no hydrogen 2.758 N/A ARG 174.A NH1 THR 262.A OG1 no hydrogen 2.833 N/A ARG 174.A NH1 GLU 305.A OE1 no hydrogen 2.808 N/A ARG 174.A NH2 GLU 305.A OE2 no hydrogen 2.806 N/A ARG 175.A N GLY 171.A O no hydrogen 3.302 N/A ARG 175.A NH1 THR 262.A O no hydrogen 2.863 N/A GLY 176.A N PHE 173.A O no hydrogen 2.986 N/A ALA 177.A N SER 172.A O no hydrogen 2.980 N/A SER 180.A N ILE 142.A O no hydrogen 2.751 N/A SER 180.A OG SER 172.A OG no hydrogen 2.758 N/A MET 183.A N ARG 243.A O no hydrogen 2.986 N/A VAL 185.A N ASP 245.A O no hydrogen 2.873 N/A LEU 186.A N THR 168.A O no hydrogen 2.919 N/A LEU 187.A N ARG 247.A O no hydrogen 2.584 N/A THR 188.A N ILE 166.A O no hydrogen 2.910 N/A THR 188.A OG1 ILE 249.A O no hydrogen 2.665 N/A HIS 189.A NE2 ASP 162.A OD2 no hydrogen 3.320 N/A SER 191.A N HIS 189.A ND1 no hydrogen 3.199 N/A SER 191.A OG HIS 189.A ND1 no hydrogen 3.002 N/A PHE 192.A N HIS 189.A O no hydrogen 2.738 N/A SER 194.A N ASP 252.A OD1 no hydrogen 3.040 N/A SER 194.A OG ASP 252.A OD1 no hydrogen 3.199 N/A SER 194.A OG ASP 252.A OD2 no hydrogen 2.506 N/A SER 196.A N THR 193.A O no hydrogen 3.009 N/A SER 196.A OG SER 191.A O no hydrogen 3.011 N/A GLN 203.A N LYS 199.A O no hydrogen 2.802 N/A VAL 204.A N LEU 201.A O no hydrogen 3.138 N/A VAL 205.A N LEU 201.A O no hydrogen 3.061 N/A GLU 206.A N HIS 202.A O no hydrogen 2.828 N/A GLN 207.A N GLN 203.A O no hydrogen 3.233 N/A GLN 207.A NE2 GLU 157.A OE1 no hydrogen 2.929 N/A LEU 208.A N VAL 204.A O no hydrogen 3.272 N/A GLN 209.A N VAL 205.A O no hydrogen 2.994 N/A LYS 210.A N GLU 206.A O no hydrogen 2.863 N/A VAL 211.A N GLN 207.A O no hydrogen 3.232 N/A HIS 212.A N GLN 209.A O no hydrogen 2.907 N/A PHE 213.A N LEU 208.A O no hydrogen 2.782 N/A ILE 214.A N LEU 208.A O no hydrogen 3.011 N/A THR 215.A N VAL 228.A O no hydrogen 2.744 N/A THR 215.A OG1 ASP 216.A OD2 no hydrogen 2.756 N/A THR 215.A OG1 VAL 228.A O no hydrogen 3.474 N/A ASP 216.A N VAL 228.A O no hydrogen 3.405 N/A LEU 218.A N MET 226.A O no hydrogen 2.764 N/A SER 219.A N MET 226.A O no hydrogen 3.024 N/A LYS 220.A NZ HIS 202.A ND1 no hydrogen 3.095 N/A GLY 221.A N LYS 224.A O no hydrogen 2.999 N/A PHE 225.A N ILE 246.A O no hydrogen 2.782 N/A MET 226.A N SER 219.A O no hydrogen 2.883 N/A GLY 227.A N ILE 244.A O no hydrogen 2.904 N/A VAL 228.A N ASP 216.A O no hydrogen 3.043 N/A CYS 229.A N ARG 242.A O no hydrogen 2.804 N/A CYS 229.A SG ARG 242.A O no hydrogen 3.902 N/A GLN 230.A N PHE 213.A O no hydrogen 2.995 N/A GLN 230.A NE2 GLU 238.A OE1 no hydrogen 3.375 N/A GLN 230.A NE2 TYR 239.A O no hydrogen 2.574 N/A HIS 241.A N ASP 137.A OD2 no hydrogen 2.954 N/A ARG 242.A N CYS 229.A O no hydrogen 2.698 N/A ARG 242.A NH1 ARG 141.A O no hydrogen 3.062 N/A ARG 242.A NH2 GLU 146.A OE1 no hydrogen 2.947 N/A ARG 243.A NH1 GLY 227.A O no hydrogen 2.864 N/A ARG 243.A NH1 ILE 244.A O no hydrogen 3.274 N/A ARG 243.A NH1 ASP 245.A OD1 no hydrogen 2.901 N/A ARG 243.A NH2 ASP 245.A OD1 no hydrogen 2.735 N/A ILE 244.A N GLY 227.A O no hydrogen 3.064 N/A ASP 245.A N MET 183.A O no hydrogen 2.924 N/A ILE 246.A N PHE 225.A O no hydrogen 2.901 N/A ARG 247.A N VAL 185.A O no hydrogen 2.787 N/A LEU 248.A N THR 223.A O no hydrogen 2.776 N/A ILE 249.A N LEU 187.A O no hydrogen 2.783 N/A LYS 251.A N PHE 192.A O no hydrogen 2.705 N/A GLN 253.A N PRO 250.A O no hydrogen 2.945 N/A TYR 254.A N LYS 251.A O no hydrogen 3.294 N/A TYR 254.A OH THR 168.A OG1 no hydrogen 2.673 N/A TYR 254.A OH LEU 186.A O no hydrogen 2.994 N/A GLY 257.A N GLN 253.A O no hydrogen 3.088 N/A VAL 258.A N TYR 254.A O no hydrogen 2.787 N/A LEU 259.A N TYR 255.A O no hydrogen 3.017 N/A TYR 260.A N CYS 256.A O no hydrogen 2.907 N/A PHE 261.A N GLY 257.A O no hydrogen 2.867 N/A THR 262.A N LEU 259.A O no hydrogen 3.425 N/A THR 262.A OG1 VAL 258.A O no hydrogen 2.325 N/A GLY 263.A N LEU 259.A O no hydrogen 3.372 N/A GLY 263.A N TYR 260.A O no hydrogen 3.110 N/A SER 264.A N ARG 322.A O no hydrogen 2.988 N/A SER 264.A OG ARG 322.A O no hydrogen 2.983 N/A SER 264.A OG SER 323.A O no hydrogen 2.478 N/A PHE 267.A N SER 264.A OG no hydrogen 3.361 N/A ASN 268.A N SER 264.A O no hydrogen 2.870 N/A ASN 268.A N ASP 265.A O no hydrogen 3.222 N/A ASN 268.A ND2 LEU 259.A O no hydrogen 3.195 N/A ASN 268.A ND2 TYR 260.A O no hydrogen 3.359 N/A ASN 270.A N ILE 266.A O no hydrogen 3.253 N/A MET 271.A N PHE 267.A O no hydrogen 3.095 N/A ARG 272.A N ASN 268.A O no hydrogen 2.757 N/A ALA 273.A N LYS 269.A O no hydrogen 2.649 N/A HIS 274.A N ASN 270.A O no hydrogen 2.768 N/A ALA 275.A N MET 271.A O no hydrogen 3.022 N/A LEU 276.A N ARG 272.A O no hydrogen 3.204 N/A LEU 276.A N ALA 273.A O no hydrogen 3.270 N/A GLU 277.A N ALA 273.A O no hydrogen 3.139 N/A LYS 278.A N ALA 275.A O no hydrogen 3.381 N/A LYS 278.A NZ TYR 311.A O no hydrogen 3.333 N/A LYS 278.A NZ GLN 313.A OE1 no hydrogen 2.968 N/A GLY 279.A N LEU 276.A O no hydrogen 2.702 N/A PHE 280.A N ALA 275.A O no hydrogen 2.986 N/A THR 281.A N ARG 288.A O no hydrogen 2.733 N/A ASN 283.A N THR 286.A O no hydrogen 3.177 N/A TYR 285.A N ASN 283.A OD1 no hydrogen 2.870 N/A THR 286.A N ASN 283.A OD1 no hydrogen 2.697 N/A THR 286.A OG1 ASN 283.A OD1 no hydrogen 3.283 N/A ARG 288.A N THR 281.A O no hydrogen 3.081 N/A LEU 290.A N GLY 279.A O no hydrogen 2.555 N/A GLY 291.A N VAL 295.A O no hydrogen 3.031 N/A GLY 294.A N GLY 291.A O no hydrogen 2.979 N/A GLY 297.A N PRO 289.A O no hydrogen 2.959 N/A LEU 300.A N ILE 287.A O no hydrogen 3.082 N/A ASP 303.A N ASP 307.A OD1 no hydrogen 3.149 N/A ASP 307.A N SER 304.A OG no hydrogen 3.012 N/A ILE 308.A N GLU 305.A O no hydrogen 2.954 N/A ASP 310.A N LYS 306.A O no hydrogen 3.079 N/A ASP 310.A N ASP 307.A O no hydrogen 2.976 N/A TYR 311.A N ASP 307.A O no hydrogen 3.023 N/A TYR 311.A OH PRO 301.A O no hydrogen 2.543 N/A ILE 312.A N PHE 309.A O no hydrogen 3.382 N/A TRP 314.A N PHE 309.A O no hydrogen 3.006 N/A TYR 316.A OH GLU 305.A OE2 no hydrogen 2.479 N/A ARG 317.A NE ASP 321.A O no hydrogen 3.222 N/A ARG 317.A NH2 ASP 321.A O no hydrogen 3.376 N/A ARG 317.A NH2 GLU 324.A OXT no hydrogen 2.593 N/A ASP 321.A N GLU 318.A O no hydrogen 3.193 N/A ARG 322.A NH1 GLU 305.A OE1 no hydrogen 3.220 N/A ARG 322.A NH2 GLU 305.A OE1 no hydrogen 3.153 N/A ARG 322.A NH2 GLU 305.A OE2 no hydrogen 2.896 N/A ARG 322.A NH2 ARG 317.A O no hydrogen 3.270 N/A