Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 1jgw_M.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): TYR 3.A OH ASN 5.A OD1 no hydrogen 3.373 N/A TYR 3.A OH PHE 7.A O no hydrogen 2.519 N/A GLN 4.A NE2 GLU 2.A O no hydrogen 3.087 N/A GLN 4.A NE2 GLU 2.A OE2 no hydrogen 3.303 N/A ASN 5.A ND2 SER 227.A OG no hydrogen 2.920 N/A SER 8.A N TRP 41.A O no hydrogen 2.976 N/A GLN 11.A NE2 THR 37.A O no hydrogen 3.110 N/A ASP 17.A N GLN 46.A OE1 no hydrogen 2.743 N/A GLY 19.A N ASP 17.A OD1 no hydrogen 2.790 N/A ASP 23.A N ALA 139.A O no hydrogen 3.000 N/A VAL 24.A N LEU 21.A O no hydrogen 2.969 N/A ASN 28.A N ASN 25.A O no hydrogen 2.884 N/A ASN 28.A ND2 TYR 51.A OH no hydrogen 2.856 N/A ARG 29.A N LEU 26.A O no hydrogen 3.316 N/A ARG 29.A NH1 MET 20.A O no hydrogen 2.882 N/A ARG 29.A NH2 MET 20.A O no hydrogen 3.123 N/A SER 30.A N ILE 50.A O no hydrogen 2.755 N/A SER 30.A OG GLY 31.A O no hydrogen 3.268 N/A SER 30.A OG ILE 50.A O no hydrogen 3.506 N/A GLY 33.A N LEU 47.A O no hydrogen 2.711 N/A SER 36.A N ALA 45.A O no hydrogen 2.686 N/A LEU 39.A N SER 36.A OG no hydrogen 3.409 N/A GLY 40.A N SER 36.A O no hydrogen 2.894 N/A TRP 41.A N LEU 38.A O no hydrogen 3.386 N/A PHE 42.A N LEU 39.A O no hydrogen 3.097 N/A GLY 43.A N LEU 39.A O no hydrogen 2.825 N/A GLN 46.A NE2 ASP 17.A O no hydrogen 2.765 N/A GLN 46.A NE2 GLY 48.A O no hydrogen 2.906 N/A LEU 47.A N PRO 34.A O no hydrogen 3.201 N/A ILE 50.A N SER 30.A OG no hydrogen 2.981 N/A LEU 52.A N ASN 28.A O no hydrogen 2.995 N/A VAL 57.A N GLY 53.A O no hydrogen 2.910 N/A LEU 58.A N SER 54.A O no hydrogen 2.942 N/A SER 59.A N LEU 55.A O no hydrogen 3.140 N/A SER 59.A OG ALA 125.A O no hydrogen 2.970 N/A SER 59.A OG SER 128.A OG no hydrogen 2.329 N/A LEU 60.A N GLY 56.A O no hydrogen 3.268 N/A PHE 61.A N VAL 57.A O no hydrogen 2.997 N/A SER 62.A N LEU 58.A O no hydrogen 2.801 N/A SER 62.A OG PHE 121.A O no hydrogen 3.116 N/A GLY 63.A N SER 59.A O no hydrogen 2.488 N/A LEU 64.A N LEU 60.A O no hydrogen 3.367 N/A MET 65.A N PHE 61.A O no hydrogen 3.042 N/A TRP 66.A N SER 62.A O no hydrogen 3.210 N/A PHE 67.A N GLY 63.A O no hydrogen 3.086 N/A PHE 68.A N LEU 64.A O no hydrogen 2.687 N/A THR 69.A N MET 65.A O no hydrogen 2.930 N/A THR 69.A OG1 MET 65.A O no hydrogen 2.436 N/A ILE 70.A N TRP 66.A O no hydrogen 3.390 N/A GLY 71.A N PHE 67.A O no hydrogen 3.140 N/A ILE 72.A N PHE 68.A O no hydrogen 2.805 N/A ILE 72.A N THR 69.A O no hydrogen 3.122 N/A TRP 73.A N THR 69.A O no hydrogen 3.422 N/A TRP 73.A NE1 SER 93.A O no hydrogen 2.920 N/A PHE 74.A N ILE 70.A O no hydrogen 3.093 N/A TRP 75.A N GLY 71.A O no hydrogen 3.274 N/A TYR 76.A N ILE 72.A O no hydrogen 2.967 N/A GLN 77.A N TRP 73.A O no hydrogen 3.012 N/A ALA 78.A N PHE 74.A O no hydrogen 2.938 N/A GLY 79.A N TYR 76.A O no hydrogen 2.804 N/A TRP 80.A N TRP 75.A O no hydrogen 2.975 N/A ASN 81.A N ALA 78.A O no hydrogen 2.987 N/A ALA 83.A N ASN 81.A OD1 no hydrogen 3.170 N/A VAL 84.A N ASN 81.A OD1 no hydrogen 3.413 N/A PHE 85.A N ASN 81.A O no hydrogen 2.708 N/A LEU 86.A N PRO 82.A O no hydrogen 3.181 N/A ARG 87.A N ALA 83.A O no hydrogen 2.998 N/A ARG 87.A NE ASP 88.A OD1 no hydrogen 2.982 N/A ARG 87.A NE ASP 88.A OD2 no hydrogen 3.229 N/A ARG 87.A NH2 ASP 88.A OD2 no hydrogen 2.959 N/A ASP 88.A N VAL 84.A O no hydrogen 2.980 N/A LEU 89.A N LEU 86.A O no hydrogen 3.407 N/A PHE 91.A N ASP 88.A O no hydrogen 3.237 N/A PHE 92.A N ASP 88.A O no hydrogen 3.299 N/A SER 93.A N GLN 77.A OE1 no hydrogen 3.187 N/A SER 93.A OG GLU 95.A OE2 no hydrogen 2.694 N/A SER 93.A OG SER 181.A OG no hydrogen 2.875 N/A LEU 94.A N TYR 177.A O no hydrogen 3.246 N/A TYR 101.A N ALA 98.A O no hydrogen 3.256 N/A GLY 102.A N PRO 99.A O no hydrogen 2.739 N/A SER 104.A N TYR 101.A O no hydrogen 3.178 N/A SER 104.A OG TYR 101.A O no hydrogen 3.135 N/A ALA 106.A N SER 104.A OG no hydrogen 3.336 N/A GLU 111.A N PRO 108.A O no hydrogen 2.784 N/A GLY 112.A N LEU 109.A O no hydrogen 3.102 N/A GLY 113.A N PRO 108.A O no hydrogen 3.071 N/A TRP 115.A NE1 VAL 175.A O no hydrogen 3.274 N/A LEU 116.A N GLY 112.A O no hydrogen 3.093 N/A ILE 117.A N GLY 113.A O no hydrogen 2.934 N/A ALA 118.A N LEU 114.A O no hydrogen 2.692 N/A SER 119.A N TRP 115.A O no hydrogen 2.727 N/A SER 119.A OG TRP 115.A O no hydrogen 3.045 N/A SER 119.A OG TYR 177.A OH no hydrogen 2.735 N/A PHE 120.A N LEU 116.A O no hydrogen 3.160 N/A PHE 121.A N ILE 117.A O no hydrogen 3.192 N/A MET 122.A N ALA 118.A O no hydrogen 3.075 N/A PHE 123.A N SER 119.A O no hydrogen 2.703 N/A VAL 124.A N PHE 120.A O no hydrogen 3.119 N/A ALA 125.A N PHE 121.A O no hydrogen 2.714 N/A VAL 126.A N MET 122.A O no hydrogen 3.040 N/A TRP 127.A N PHE 123.A O no hydrogen 3.441 N/A SER 128.A N VAL 124.A O no hydrogen 3.148 N/A SER 128.A OG SER 59.A OG no hydrogen 2.329 N/A SER 128.A OG VAL 124.A O no hydrogen 2.500 N/A SER 128.A OG ALA 125.A O no hydrogen 3.203 N/A TRP 129.A N ALA 125.A O no hydrogen 3.325 N/A TRP 130.A N VAL 126.A O no hydrogen 3.005 N/A TRP 130.A NE1 ALA 147.A O no hydrogen 2.986 N/A GLY 131.A N TRP 127.A O no hydrogen 3.221 N/A ARG 132.A N SER 128.A O no hydrogen 3.002 N/A ARG 132.A NH2 TYR 51.A O no hydrogen 2.492 N/A THR 133.A N TRP 129.A O no hydrogen 3.003 N/A THR 133.A OG1 TRP 130.A O no hydrogen 3.128 N/A TYR 134.A N TRP 130.A O no hydrogen 3.254 N/A TYR 134.A N GLY 131.A O no hydrogen 3.285 N/A LEU 135.A N GLY 131.A O no hydrogen 2.873 N/A ARG 136.A N ARG 132.A O no hydrogen 2.912 N/A ALA 137.A N TYR 134.A O no hydrogen 3.114 N/A GLN 138.A N TYR 134.A O no hydrogen 3.087 N/A ALA 139.A N LEU 135.A O no hydrogen 3.068 N/A LEU 140.A N ALA 137.A O no hydrogen 3.213 N/A GLY 141.A N GLN 138.A O no hydrogen 2.749 N/A MET 142.A N ALA 137.A O no hydrogen 2.982 N/A LYS 144.A NZ MET 142.A O no hydrogen 2.803 N/A TRP 148.A N LYS 144.A O no hydrogen 3.142 N/A ALA 149.A N HIS 145.A O no hydrogen 2.999 N/A PHE 150.A N THR 146.A O no hydrogen 3.062 N/A LEU 151.A N ALA 147.A O no hydrogen 3.060 N/A LEU 151.A N TRP 148.A O no hydrogen 3.209 N/A SER 152.A N ALA 149.A O no hydrogen 3.016 N/A SER 152.A OG VAL 274.A O no hydrogen 2.738 N/A SER 152.A OG THR 277.A OG1 no hydrogen 2.706 N/A ALA 153.A N PHE 150.A O no hydrogen 3.073 N/A ILE 154.A N PHE 150.A O no hydrogen 3.080 N/A TRP 155.A N LEU 151.A O no hydrogen 2.842 N/A TRP 157.A N ALA 153.A O no hydrogen 3.232 N/A MET 158.A N ILE 154.A O no hydrogen 2.448 N/A VAL 159.A N TRP 155.A O no hydrogen 2.781 N/A LEU 160.A N LEU 156.A O no hydrogen 2.961 N/A GLY 161.A N TRP 157.A O no hydrogen 3.323 N/A PHE 162.A N MET 158.A O no hydrogen 3.011 N/A ILE 163.A N MET 158.A O no hydrogen 3.012 N/A ARG 164.A N VAL 159.A O no hydrogen 3.142 N/A ARG 164.A NE SER 287.A O no hydrogen 2.687 N/A ARG 164.A NH1 GLU 173.A OE1 no hydrogen 3.079 N/A ARG 164.A NH2 GLU 173.A OE1 no hydrogen 2.947 N/A ARG 164.A NH2 HIS 193.A NE2 no hydrogen 3.387 N/A ARG 164.A NH2 SER 287.A O no hydrogen 3.188 N/A ILE 166.A N PHE 162.A O no hydrogen 3.197 N/A LEU 167.A N ILE 163.A O no hydrogen 3.043 N/A MET 168.A N ARG 164.A O no hydrogen 2.785 N/A GLY 169.A N PRO 165.A O no hydrogen 2.859 N/A SER 170.A N PRO 165.A O no hydrogen 3.055 N/A TRP 171.A N GLY 102.A O no hydrogen 3.062 N/A SER 172.A N SER 170.A OG no hydrogen 3.177 N/A GLU 173.A N SER 170.A O no hydrogen 3.256 N/A ALA 174.A N TRP 171.A O no hydrogen 3.329 N/A TYR 177.A N LEU 94.A O no hydrogen 3.160 N/A TYR 177.A OH SER 119.A OG no hydrogen 2.735 N/A PHE 180.A N PHE 90.A O no hydrogen 3.232 N/A SER 181.A OG SER 93.A OG no hydrogen 2.875 N/A HIS 182.A N GLY 178.A O no hydrogen 3.017 N/A HIS 182.A ND1 GLY 178.A O no hydrogen 2.970 N/A HIS 182.A ND1 ILE 179.A O no hydrogen 2.693 N/A LEU 183.A N PHE 180.A O no hydrogen 2.967 N/A ASP 184.A N PHE 180.A O no hydrogen 3.044 N/A TRP 185.A N SER 181.A O no hydrogen 3.222 N/A THR 186.A N HIS 182.A O no hydrogen 3.290 N/A THR 186.A OG1 HIS 182.A O no hydrogen 2.997 N/A ASN 187.A N LEU 183.A O no hydrogen 3.065 N/A ASN 188.A N ASP 184.A O no hydrogen 2.832 N/A PHE 189.A N TRP 185.A O no hydrogen 2.785 N/A SER 190.A N THR 186.A O no hydrogen 3.326 N/A LEU 191.A N ASN 187.A O no hydrogen 3.283 N/A VAL 192.A N ASN 188.A O no hydrogen 2.920 N/A HIS 193.A N SER 190.A O no hydrogen 2.991 N/A HIS 193.A ND1 PHE 189.A O no hydrogen 2.740 N/A GLY 194.A N LEU 191.A O no hydrogen 3.105 N/A ASN 195.A N SER 190.A O no hydrogen 3.024 N/A LEU 196.A N SER 190.A OG no hydrogen 3.132 N/A PHE 197.A N ASN 195.A OD1 no hydrogen 2.893 N/A TYR 198.A N ASN 195.A O no hydrogen 3.237 N/A ASN 199.A N LEU 196.A O no hydrogen 2.790 N/A ASN 199.A ND2 GLY 283.A O no hydrogen 2.993 N/A PHE 201.A N ASN 199.A OD1 no hydrogen 3.108 N/A HIS 202.A N ASN 199.A O no hydrogen 3.154 N/A GLY 203.A N ASN 199.A O no hydrogen 3.300 N/A LEU 204.A N PRO 200.A O no hydrogen 3.107 N/A SER 205.A N PHE 201.A O no hydrogen 2.920 N/A SER 205.A OG VAL 276.A O no hydrogen 2.662 N/A ILE 206.A N HIS 202.A O no hydrogen 3.017 N/A ALA 207.A N GLY 203.A O no hydrogen 3.255 N/A PHE 208.A N LEU 204.A O no hydrogen 3.056 N/A LEU 209.A N SER 205.A O no hydrogen 2.916 N/A TYR 210.A N ILE 206.A O no hydrogen 2.752 N/A GLY 211.A N ALA 207.A O no hydrogen 2.669 N/A SER 212.A N PHE 208.A O no hydrogen 2.782 N/A SER 212.A OG PHE 208.A O no hydrogen 2.761 N/A ALA 213.A N LEU 209.A O no hydrogen 3.335 N/A LEU 214.A N TYR 210.A O no hydrogen 3.064 N/A LEU 215.A N GLY 211.A O no hydrogen 2.922 N/A PHE 216.A N SER 212.A O no hydrogen 3.057 N/A ALA 217.A N ALA 213.A O no hydrogen 3.111 N/A MET 218.A N LEU 214.A O no hydrogen 2.834 N/A HIS 219.A N LEU 215.A O no hydrogen 2.585 N/A GLY 220.A N PHE 216.A O no hydrogen 2.869 N/A ALA 221.A N ALA 217.A O no hydrogen 3.136 N/A THR 222.A N MET 218.A O no hydrogen 3.079 N/A THR 222.A OG1 MET 218.A O no hydrogen 2.879 N/A ILE 223.A N HIS 219.A O no hydrogen 3.070 N/A LEU 224.A N GLY 220.A O no hydrogen 3.094 N/A VAL 226.A N THR 222.A O no hydrogen 2.925 N/A SER 227.A N LEU 224.A O no hydrogen 3.521 N/A SER 227.A OG LEU 224.A O no hydrogen 3.052 N/A ARG 228.A NH2 GLU 2.A OE2 no hydrogen 3.243 N/A PHE 229.A N VAL 226.A O no hydrogen 3.168 N/A GLY 230.A N SER 227.A O no hydrogen 3.153 N/A GLY 231.A N VAL 226.A O no hydrogen 3.250 N/A GLU 232.A N GLU 232.A OE1 no hydrogen 2.509 N/A ARG 233.A N GLY 230.A O no hydrogen 3.281 N/A GLN 237.A N ARG 233.A O no hydrogen 3.258 N/A ILE 238.A N LEU 235.A O no hydrogen 3.106 N/A ALA 239.A N LEU 235.A O no hydrogen 3.318 N/A ASP 240.A N GLU 236.A O no hydrogen 2.826 N/A ARG 241.A NE GLU 246.A OE2 no hydrogen 3.027 N/A ARG 241.A NH2 GLU 246.A OE2 no hydrogen 2.893 N/A GLY 242.A N GLN 237.A OE1 no hydrogen 3.249 N/A GLU 246.A N GLY 242.A O no hydrogen 3.261 N/A ARG 247.A N THR 243.A O no hydrogen 2.897 N/A ALA 248.A N ALA 244.A O no hydrogen 3.058 N/A ALA 249.A N ALA 245.A O no hydrogen 3.136 N/A LEU 250.A N GLU 246.A O no hydrogen 2.911 N/A PHE 251.A N ARG 247.A O no hydrogen 2.910 N/A TRP 252.A NE1 THR 222.A OG1 no hydrogen 2.972 N/A ARG 253.A N ALA 249.A O no hydrogen 3.048 N/A ARG 253.A NH1 ASN 259.A OD1 no hydrogen 2.787 N/A TRP 254.A N LEU 250.A O no hydrogen 2.926 N/A THR 255.A N PHE 251.A O no hydrogen 3.078 N/A THR 255.A OG1 PHE 251.A O no hydrogen 2.835 N/A MET 256.A N TRP 252.A O no hydrogen 2.866 N/A ASN 259.A ND2 ALA 260.A O no hydrogen 3.168 N/A GLY 264.A N THR 261.A OG1 no hydrogen 2.763 N/A ILE 265.A N THR 261.A O no hydrogen 2.972 N/A HIS 266.A N GLU 263.A O no hydrogen 2.969 N/A HIS 266.A ND1 MET 262.A O no hydrogen 2.920 N/A ARG 267.A N GLY 264.A O no hydrogen 2.712 N/A ARG 267.A NH2 GLU 263.A OE2 no hydrogen 3.230 N/A TRP 268.A N GLY 264.A O no hydrogen 3.155 N/A ALA 269.A N ILE 265.A O no hydrogen 2.961 N/A ILE 270.A N HIS 266.A O no hydrogen 2.973 N/A TRP 271.A N ARG 267.A O no hydrogen 3.184 N/A MET 272.A N TRP 268.A O no hydrogen 2.927 N/A ALA 273.A N ALA 269.A O no hydrogen 3.333 N/A VAL 274.A N ILE 270.A O no hydrogen 3.058 N/A LEU 275.A N TRP 271.A O no hydrogen 2.986 N/A VAL 276.A N ALA 273.A O no hydrogen 3.014 N/A THR 277.A OG1 SER 152.A O no hydrogen 2.882 N/A THR 277.A OG1 SER 152.A OG no hydrogen 2.706 N/A THR 277.A OG1 VAL 274.A O no hydrogen 3.466 N/A LEU 278.A N VAL 274.A O no hydrogen 3.269 N/A THR 279.A N LEU 275.A O no hydrogen 2.955 N/A THR 279.A OG1 LEU 275.A O no hydrogen 3.018 N/A GLY 280.A N VAL 276.A O no hydrogen 3.132 N/A GLY 281.A N THR 277.A O no hydrogen 3.092 N/A ILE 282.A N LEU 278.A O no hydrogen 3.479 N/A GLY 283.A N THR 279.A O no hydrogen 3.142 N/A ILE 284.A N GLY 280.A O no hydrogen 3.088 N/A LEU 285.A N GLY 281.A O no hydrogen 2.995 N/A LEU 286.A N ILE 282.A O no hydrogen 3.176 N/A SER 287.A N ILE 284.A O no hydrogen 3.267 N/A SER 287.A OG GLY 283.A O no hydrogen 2.943 N/A GLY 288.A N VAL 291.A O no hydrogen 2.789 N/A THR 289.A OG1 LEU 285.A O no hydrogen 3.108 N/A VAL 290.A N LEU 286.A O no hydrogen 3.188 N/A VAL 291.A N LEU 286.A O no hydrogen 3.036 N/A TRP 294.A N HIS 193.A O no hydrogen 2.836 N/A TRP 294.A NE1 SER 287.A OG no hydrogen 2.906 N/A VAL 296.A N ASN 293.A OD1 no hydrogen 2.635 N/A TRP 297.A N ASN 293.A O no hydrogen 3.113 N/A GLY 298.A N TRP 294.A O no hydrogen 2.764 N/A GLN 299.A N VAL 296.A O no hydrogen 3.040 N/A ASN 300.A N VAL 296.A O no hydrogen 3.291 N/A ASN 300.A ND2 ASN 300.A O no hydrogen 3.167 N/A GLY 302.A N ASN 300.A O no hydrogen 2.681 N/A