Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4wsq_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): GLY 5.A N GLY 1.A O no hydrogen 3.089 N/A TYR 6.A N LEU 2.A O no hydrogen 3.043 N/A ILE 7.A N GLY 3.A O no hydrogen 3.083 N/A GLY 8.A N VAL 20.A O no hydrogen 2.844 N/A ARG 9.A N TYR 6.A O no hydrogen 2.878 N/A PHE 11.A N VAL 18.A O no hydrogen 2.802 N/A ILE 13.A N GLN 16.A O no hydrogen 2.659 N/A GLY 14.A N SER 82.A OG no hydrogen 3.419 N/A GLN 16.A N ILE 13.A O no hydrogen 3.055 N/A VAL 18.A N PHE 11.A O no hydrogen 2.751 N/A THR 19.A N ARG 36.A O no hydrogen 2.999 N/A VAL 20.A N ARG 9.A O no hydrogen 2.827 N/A ASP 21.A N LEU 34.A O no hydrogen 2.766 N/A GLU 22.A N.A LEU 34.A O no hydrogen 3.237 N/A GLU 22.A N.B LEU 34.A O no hydrogen 3.235 N/A LEU 24.A N VAL 32.A O no hydrogen 2.733 N/A ALA 25.A N VAL 32.A O no hydrogen 3.295 N/A ILE 31.A N ARG 47.A O no hydrogen 2.946 N/A VAL 32.A N ALA 25.A O no hydrogen 2.823 N/A PHE 33.A N LEU 45.A O no hydrogen 2.766 N/A LEU 34.A N GLU 22.A O.A no hydrogen 2.878 N/A LEU 34.A N GLU 22.A O.B no hydrogen 2.842 N/A VAL 35.A N CYS 43.A O no hydrogen 2.967 N/A ARG 36.A N THR 19.A O no hydrogen 2.953 N/A THR 37.A N MET 41.A O no hydrogen 3.005 N/A GLY 40.A N THR 37.A O no hydrogen 2.955 N/A MET 41.A N THR 37.A OG1 no hydrogen 3.166 N/A CYS 43.A N VAL 35.A O no hydrogen 2.872 N/A CYS 43.A SG MET 41.A O no hydrogen 3.785 N/A ALA 44.A N MET 98.A O no hydrogen 2.809 N/A LEU 45.A N PHE 33.A O no hydrogen 2.730 N/A LYS 46.A N ILE 96.A O no hydrogen 2.914 N/A LYS 46.A NZ GLU 62.A OE2 no hydrogen 3.051 N/A ARG 47.A N ILE 31.A O no hydrogen 2.911 N/A ARG 47.A NE GLU 93.A OE2 no hydrogen 2.714 N/A ARG 47.A NH2 GLU 93.A OE2 no hydrogen 2.971 N/A MET 48.A N VAL 94.A O no hydrogen 3.185 N/A VAL 50.A N TRP 92.A O no hydrogen 2.874 N/A ASN 52.A ND2 ASN 51.A OD1 no hydrogen 2.989 N/A ASN 52.A ND2 ASP 55.A OD2 no hydrogen 2.768 N/A ASP 55.A N ASN 52.A OD1 no hydrogen 2.937 N/A LEU 56.A N ASN 52.A O no hydrogen 3.112 N/A GLN 57.A N GLU 53.A O no hydrogen 3.011 N/A VAL 58.A N HIS 54.A O no hydrogen 3.063 N/A CYS 59.A N ASP 55.A O no hydrogen 3.083 N/A CYS 59.A SG ASP 55.A O no hydrogen 3.480 N/A LYS 60.A N LEU 56.A O no hydrogen 2.914 N/A ARG 61.A N GLN 57.A O no hydrogen 2.915 N/A GLU 62.A N VAL 58.A O no hydrogen 2.897 N/A ILE 63.A N CYS 59.A O no hydrogen 3.037 N/A GLN 64.A N LYS 60.A O no hydrogen 2.984 N/A GLN 64.A NE2 ASP 68.A OD1 no hydrogen 3.243 N/A ILE 65.A N ARG 61.A O no hydrogen 2.856 N/A MET 66.A N GLU 62.A O no hydrogen 2.968 N/A ARG 67.A N ILE 63.A O no hydrogen 2.963 N/A ASP 68.A N GLN 64.A O no hydrogen 3.063 N/A LEU 69.A N ILE 65.A O no hydrogen 3.016 N/A LEU 69.A N MET 66.A O no hydrogen 3.269 N/A HIS 72.A N LEU 69.A O no hydrogen 3.503 N/A LYS 73.A NZ ASN 74.A OD1 no hydrogen 2.593 N/A LYS 73.A NZ GLU 132.A OE2 no hydrogen 2.799 N/A ASN 74.A N HIS 72.A ND1 no hydrogen 2.952 N/A ASN 74.A ND2 TYR 162.A O no hydrogen 2.966 N/A ILE 75.A N HIS 72.A O no hydrogen 3.212 N/A VAL 76.A N LEU 164.A O no hydrogen 2.931 N/A TYR 78.A OH SER 81.A OG no hydrogen 2.758 N/A ILE 79.A N LEU 97.A O no hydrogen 2.840 N/A ASP 80.A N LEU 97.A O no hydrogen 3.353 N/A SER 81.A OG TYR 78.A OH no hydrogen 2.758 N/A SER 82.A N LEU 95.A O no hydrogen 2.971 N/A SER 82.A OG GLY 12.A O no hydrogen 3.308 N/A ASN 84.A N GLU 93.A O no hydrogen 2.719 N/A ASN 84.A ND2 GLY 12.A O no hydrogen 3.054 N/A ASN 84.A ND2 SER 82.A OG no hydrogen 3.213 N/A ASN 84.A ND2 GLU 93.A OE1 no hydrogen 3.159 N/A ASN 85.A ND2 GLY 89.A O no hydrogen 3.099 N/A VAL 86.A N VAL 91.A O no hydrogen 3.462 N/A SER 87.A N ASN 85.A OD1 no hydrogen 2.991 N/A SER 87.A OG ASN 85.A OD1 no hydrogen 3.515 N/A SER 87.A OG VAL 91.A O no hydrogen 3.305 N/A GLY 89.A N ASN 85.A OD1 no hydrogen 3.341 N/A VAL 91.A N SER 87.A OG no hydrogen 3.092 N/A TRP 92.A N VAL 50.A O no hydrogen 2.906 N/A GLU 93.A N ASN 84.A O no hydrogen 2.448 N/A VAL 94.A N MET 48.A O no hydrogen 2.687 N/A LEU 95.A N SER 82.A O no hydrogen 2.802 N/A ILE 96.A N LYS 46.A O no hydrogen 3.021 N/A LEU 97.A N ASP 80.A O no hydrogen 2.804 N/A MET 98.A N ALA 44.A O no hydrogen 2.782 N/A ASP 99.A N GLY 77.A O no hydrogen 2.967 N/A GLY 104.A N CYS 101.A O no hydrogen 3.097 N/A VAL 106.A N ILE 154.A O no hydrogen 2.905 N/A ASN 108.A N GLN 105.A O no hydrogen 3.011 N/A MET 110.A N VAL 106.A O no hydrogen 3.030 N/A ASN 111.A N VAL 107.A O no hydrogen 3.057 N/A GLN 112.A N ASN 108.A O no hydrogen 3.351 N/A GLN 112.A N LEU 109.A O no hydrogen 3.090 N/A ARG 113.A N MET 110.A O no hydrogen 2.730 N/A ARG 113.A NH1 GLY 117.A O no hydrogen 3.032 N/A ARG 113.A NH1 GLU 122.A OE1 no hydrogen 2.854 N/A ARG 113.A NH2 GLU 122.A OE2 no hydrogen 3.007 N/A THR 116.A OG1 GLY 117.A O no hydrogen 3.492 N/A GLY 117.A N ARG 113.A O no hydrogen 2.826 N/A THR 119.A N.A GLU 122.A OE1 no hydrogen 2.861 N/A THR 119.A N.B GLU 122.A OE1 no hydrogen 2.851 N/A GLU 122.A N THR 119.A OG1.B no hydrogen 3.030 N/A VAL 123.A N THR 119.A O.A no hydrogen 3.012 N/A VAL 123.A N THR 119.A O.B no hydrogen 3.007 N/A LEU 124.A N GLU 120.A O no hydrogen 3.085 N/A GLN 125.A N ASN 121.A O no hydrogen 3.036 N/A ILE 126.A N GLU 122.A O no hydrogen 3.314 N/A PHE 127.A N VAL 123.A O no hydrogen 2.950 N/A CYS 128.A N LEU 124.A O no hydrogen 2.680 N/A ASP 129.A N GLN 125.A O no hydrogen 3.226 N/A THR 130.A N ILE 126.A O no hydrogen 3.086 N/A THR 130.A OG1 ILE 126.A O no hydrogen 3.005 N/A CYS 131.A N PHE 127.A O no hydrogen 2.804 N/A CYS 131.A SG PHE 127.A O no hydrogen 3.473 N/A GLU 132.A N CYS 128.A O no hydrogen 3.023 N/A ALA 133.A N ASP 129.A O no hydrogen 3.235 N/A VAL 134.A N THR 130.A O no hydrogen 2.958 N/A ALA 135.A N CYS 131.A O no hydrogen 2.828 N/A ARG 136.A N GLU 132.A O no hydrogen 3.094 N/A LEU 137.A N ALA 133.A O no hydrogen 3.191 N/A HIS 138.A N VAL 134.A O no hydrogen 2.827 N/A HIS 138.A NE2 ASP 216.A OD2 no hydrogen 2.795 N/A GLN 139.A N ALA 135.A O no hydrogen 2.877 N/A GLN 139.A NE2 PRO 294.A O no hydrogen 2.941 N/A CYS 140.A N LEU 137.A O no hydrogen 3.379 N/A ILE 144.A N LEU 137.A O no hydrogen 2.999 N/A ILE 145.A N THR 171.A O no hydrogen 2.869 N/A HIS 146.A N ASP 216.A OD2 no hydrogen 2.806 N/A HIS 146.A NE2 CYS 165.A O no hydrogen 3.232 N/A ARG 147.A N ASP 216.A OD1 no hydrogen 3.002 N/A ARG 147.A NE SER 169.A O no hydrogen 2.810 N/A ARG 147.A NH1 GLU 188.A OE2 no hydrogen 3.056 N/A ARG 147.A NH2 SER 169.A O no hydrogen 2.994 N/A ARG 147.A NH2 GLU 188.A OE2 no hydrogen 3.164 N/A ASP 148.A N HIS 146.A ND1 no hydrogen 3.060 N/A LYS 150.A NZ ASP 148.A OD2 no hydrogen 3.238 N/A VAL 151.A N.A TYR 197.A OH no hydrogen 3.331 N/A VAL 151.A N.B TYR 197.A OH no hydrogen 3.332 N/A GLU 152.A N GLU 152.A OE1 no hydrogen 2.652 N/A ASN 153.A N LYS 150.A O no hydrogen 2.957 N/A ASN 153.A ND2 ASP 148.A O no hydrogen 2.774 N/A ASN 153.A ND2 ASP 166.A OD2 no hydrogen 3.188 N/A ILE 154.A N VAL 151.A O.A no hydrogen 3.243 N/A ILE 154.A N VAL 151.A O.B no hydrogen 3.115 N/A LEU 155.A N VAL 163.A O no hydrogen 2.928 N/A LEU 156.A N GLY 104.A O no hydrogen 2.764 N/A HIS 157.A N HIS 161.A O no hydrogen 2.911 N/A HIS 157.A ND1 ASP 158.A OD1 no hydrogen 3.250 N/A ASP 158.A N HIS 161.A O no hydrogen 3.368 N/A HIS 161.A N ASP 158.A O no hydrogen 2.752 N/A HIS 161.A NE2 LYS 73.A O no hydrogen 2.689 N/A TYR 162.A N ASP 129.A OD2 no hydrogen 2.776 N/A VAL 163.A N LEU 155.A O no hydrogen 3.024 N/A LEU 164.A N ASN 74.A O no hydrogen 2.774 N/A CYS 165.A N ASN 153.A O no hydrogen 3.036 N/A CYS 165.A SG ASN 153.A O no hydrogen 3.515 N/A CYS 165.A SG ASN 153.A OD1 no hydrogen 3.969 N/A GLY 168.A N ASP 166.A OD1 no hydrogen 3.280 N/A SER 169.A OG TYR 192.A O no hydrogen 2.644 N/A ALA 170.A N PHE 167.A O no hydrogen 3.140 N/A THR 171.A N ILE 145.A O no hydrogen 2.939 N/A LYS 173.A N THR 171.A OG1 no hydrogen 2.983 N/A GLN 175.A NE2 GLU 180.A OE1 no hydrogen 3.340 N/A ASN 176.A N GLU 180.A OE2 no hydrogen 2.902 N/A GLN 178.A N ASN 176.A OD1 no hydrogen 2.949 N/A THR 179.A N ASN 176.A O no hydrogen 3.006 N/A GLU 180.A N ASN 176.A O no hydrogen 2.871 N/A GLY 181.A N PRO 177.A O no hydrogen 2.877 N/A VAL 185.A N GLY 181.A O no hydrogen 3.357 N/A GLU 186.A N VAL 182.A O no hydrogen 2.807 N/A ASP 187.A N ASN 183.A O no hydrogen 2.966 N/A GLU 188.A N ALA 184.A O no hydrogen 3.300 N/A ILE 189.A N VAL 185.A O no hydrogen 2.927 N/A LYS 190.A N GLU 186.A O no hydrogen 2.868 N/A LYS 190.A NZ GLU 186.A OE2 no hydrogen 3.152 N/A LYS 191.A N ASP 187.A O no hydrogen 3.066 N/A LYS 191.A NZ TYR 192.A OH no hydrogen 3.155 N/A TYR 192.A N GLU 188.A O no hydrogen 2.950 N/A THR 193.A N ILE 189.A O no hydrogen 3.004 N/A THR 193.A OG1 ILE 189.A O no hydrogen 2.742 N/A THR 194.A OG1 ASP 148.A OD1 no hydrogen 2.679 N/A SER 196.A OG GLY 235.A O no hydrogen 3.069 N/A TYR 197.A N THR 194.A O no hydrogen 2.969 N/A ARG 198.A N LEU 195.A O no hydrogen 3.048 N/A ARG 198.A NE THR 193.A OG1 no hydrogen 2.822 N/A ARG 198.A NH2 THR 193.A O no hydrogen 3.108 N/A ARG 198.A NH2 THR 193.A OG1 no hydrogen 3.330 N/A GLU 201.A N GLU 201.A OE1 no hydrogen 2.719 N/A MET 202.A N ALA 199.A O no hydrogen 2.787 N/A VAL 203.A N ALA 199.A O no hydrogen 3.036 N/A ASN 204.A N PRO 200.A O no hydrogen 2.836 N/A TYR 206.A N ASN 204.A OD1 no hydrogen 3.017 N/A SER 207.A N ASN 204.A O no hydrogen 3.408 N/A SER 207.A OG ASN 204.A O no hydrogen 3.154 N/A LYS 209.A N SER 207.A OG no hydrogen 3.390 N/A LYS 209.A NZ ASP 269.A OD1 no hydrogen 3.142 N/A LYS 209.A NZ ASP 271.A OD2 no hydrogen 2.843 N/A ILE 211.A N GLN 175.A O no hydrogen 2.977 N/A LYS 214.A N THR 212.A OG1 no hydrogen 3.017 N/A LYS 214.A NZ PRO 270.A O no hydrogen 2.924 N/A LYS 214.A NZ ARG 273.A O no hydrogen 2.833 N/A ALA 215.A N THR 212.A O no hydrogen 3.008 N/A ASP 216.A N THR 213.A O no hydrogen 3.061 N/A TRP 218.A N LYS 214.A O no hydrogen 3.310 N/A ALA 219.A N ALA 215.A O no hydrogen 3.223 N/A LEU 220.A N ASP 216.A O no hydrogen 2.904 N/A GLY 221.A N ILE 217.A O no hydrogen 3.068 N/A CYS 222.A N TRP 218.A O no hydrogen 3.129 N/A CYS 222.A SG SER 196.A O no hydrogen 3.681 N/A CYS 222.A SG TRP 218.A O no hydrogen 3.638 N/A LEU 223.A N ALA 219.A O no hydrogen 2.688 N/A LEU 224.A N LEU 220.A O no hydrogen 2.856 N/A TYR 225.A N GLY 221.A O no hydrogen 3.164 N/A TYR 225.A OH THR 247.A O no hydrogen 2.816 N/A LYS 226.A N CYS 222.A O no hydrogen 2.979 N/A LYS 226.A NZ PHE 230.A O no hydrogen 3.422 N/A LEU 227.A N LEU 223.A O no hydrogen 2.817 N/A CYS 228.A N LEU 224.A O no hydrogen 2.974 N/A CYS 228.A SG LEU 224.A O no hydrogen 3.413 N/A TYR 229.A N TYR 225.A O no hydrogen 2.859 N/A TYR 229.A OH SER 252.A OG no hydrogen 2.680 N/A PHE 230.A N LYS 226.A O no hydrogen 2.654 N/A GLY 235.A N LEU 232.A O no hydrogen 3.433 N/A SER 237.A N PHE 234.A O no hydrogen 2.971 N/A ALA 240.A N SER 237.A OG no hydrogen 3.081 N/A ILE 241.A N SER 237.A O no hydrogen 3.004 N/A CYS 242.A N GLN 238.A O no hydrogen 3.165 N/A CYS 242.A SG GLN 238.A O no hydrogen 3.481 N/A ASP 243.A N VAL 239.A O no hydrogen 3.150 N/A GLY 244.A N ILE 241.A O no hydrogen 2.961 N/A ASN 245.A N ALA 240.A O no hydrogen 2.870 N/A ILE 248.A N VAL 309.A O no hydrogen 2.955 N/A SER 252.A N PRO 249.A O no hydrogen 3.077 N/A SER 252.A OG TYR 229.A OH no hydrogen 2.680 N/A SER 252.A OG HIS 259.A NE2 no hydrogen 2.696 N/A ARG 253.A NH1 THR 116.A O no hydrogen 3.228 N/A TYR 254.A N SER 252.A OG no hydrogen 3.318 N/A TYR 254.A OH PHE 118.A O no hydrogen 2.820 N/A TYR 254.A OH CYS 228.A O no hydrogen 3.186 N/A SER 255.A N GLU 120.A OE1 no hydrogen 2.899 N/A SER 255.A OG GLU 120.A OE1 no hydrogen 3.507 N/A SER 255.A OG GLU 120.A OE2 no hydrogen 2.654 N/A MET 258.A N SER 255.A OG no hydrogen 3.324 N/A HIS 259.A N SER 255.A O no hydrogen 3.170 N/A HIS 259.A NE2 SER 252.A OG no hydrogen 2.696 N/A CYS 260.A N GLN 256.A O no hydrogen 2.820 N/A CYS 260.A SG GLN 256.A O no hydrogen 3.153 N/A CYS 260.A SG PRO 306.A O no hydrogen 3.695 N/A LEU 261.A N ASP 257.A O no hydrogen 2.931 N/A ILE 262.A N MET 258.A O no hydrogen 3.116 N/A ARG 263.A N HIS 259.A O no hydrogen 3.155 N/A ARG 263.A NH1 ARG 263.A O no hydrogen 2.960 N/A TYR 264.A N CYS 260.A O no hydrogen 2.854 N/A MET 265.A N LEU 261.A O no hydrogen 3.320 N/A LEU 266.A N ILE 262.A O no hydrogen 3.197 N/A GLU 267.A N MET 265.A O no hydrogen 2.897 N/A ASP 269.A N GLU 267.A OE2 no hydrogen 3.193 N/A ASP 271.A N ASP 269.A OD1 no hydrogen 2.939 N/A LYS 272.A N ASP 269.A O no hydrogen 2.847 N/A ARG 273.A N ASP 269.A O no hydrogen 3.128 N/A ARG 273.A N PRO 270.A O no hydrogen 3.264 N/A ARG 273.A NE GLU 267.A O no hydrogen 2.848 N/A ARG 273.A NH1 GLU 201.A OE1 no hydrogen 3.542 N/A ARG 273.A NH1 GLU 201.A OE2 no hydrogen 2.766 N/A ARG 273.A NH1 LYS 214.A O no hydrogen 2.889 N/A ARG 273.A NH2 GLU 201.A OE1 no hydrogen 2.991 N/A ARG 273.A NH2 GLU 267.A O no hydrogen 2.954 N/A ASP 275.A N GLN 278.A OE1 no hydrogen 2.864 N/A GLN 278.A N ASP 275.A OD1 no hydrogen 2.917 N/A GLN 278.A NE2 PRO 300.A O no hydrogen 2.860 N/A VAL 279.A N ASP 275.A O no hydrogen 3.051 N/A SER 280.A N ILE 276.A O no hydrogen 2.901 N/A SER 280.A OG ILE 276.A O no hydrogen 2.900 N/A TYR 281.A N TYR 277.A O no hydrogen 2.770 N/A SER 283.A N VAL 279.A O no hydrogen 3.032 N/A SER 283.A OG VAL 279.A O no hydrogen 3.019 N/A PHE 284.A N SER 280.A O no hydrogen 2.867 N/A LYS 285.A N TYR 281.A O no hydrogen 3.039 N/A LEU 286.A N PHE 282.A O no hydrogen 3.051 N/A LEU 287.A N SER 283.A O no hydrogen 3.205 N/A LYS 288.A N LYS 285.A O no hydrogen 2.947 N/A LYS 289.A N PHE 284.A O no hydrogen 2.887 N/A CYS 291.A SG ILE 293.A O no hydrogen 3.870 N/A ASN 295.A ND2 SER 299.A O no hydrogen 2.872 N/A ASN 298.A N ASN 295.A O no hydrogen 3.053 N/A SER 299.A N ASN 295.A OD1 no hydrogen 2.908 N/A SER 299.A OG ASP 275.A OD2 no hydrogen 2.587 N/A LYS 310.A N GLU 313.A OE1 no hydrogen 2.759 N/A ALA 311.A N ILE 248.A O no hydrogen 2.855 N/A SER 312.A N ASP 250.A OD1 no hydrogen 3.220 N/A SER 312.A OG ASP 250.A OD1 no hydrogen 2.931 N/A ALA 314.A N LYS 310.A O no hydrogen 3.057 N/A ALA 315.A N ALA 311.A O no hydrogen 3.141 N/A ALA 316.A N SER 312.A O no hydrogen 3.048 N/A LYS 317.A N GLU 313.A O no hydrogen 3.376 N/A