Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4yuu_D1.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): LEU 5.A N GLY 1.A O no hydrogen 2.690 N/A LEU 6.A N TRP 2.A O no hydrogen 2.933 N/A ASP 7.A N PHE 3.A O no hydrogen 2.881 N/A ASP 8.A N ASP 4.A O no hydrogen 2.912 N/A TRP 9.A N LEU 5.A O no hydrogen 2.927 N/A LEU 10.A N LEU 6.A O no hydrogen 2.911 N/A LYS 11.A N ASP 7.A O no hydrogen 3.015 N/A ARG 12.A N TRP 9.A O no hydrogen 3.392 N/A ARG 14.A NH1 TRP 9.A O no hydrogen 2.828 N/A ARG 14.A NH1 LEU 10.A O no hydrogen 3.491 N/A ARG 14.A NH2 TRP 9.A O no hydrogen 2.524 N/A GLY 19.A N LEU 10.A O no hydrogen 2.976 N/A SER 21.A N GLU 119.A OE2 no hydrogen 3.271 N/A SER 21.A OG GLU 119.A OE2 no hydrogen 2.727 N/A ILE 23.A N GLY 19.A O no hydrogen 2.981 N/A LEU 24.A N TRP 20.A O no hydrogen 3.174 N/A LEU 25.A N SER 21.A O no hydrogen 2.757 N/A PHE 26.A N GLY 22.A O no hydrogen 2.990 N/A CYS 28.A SG LEU 24.A O no hydrogen 3.662 N/A ALA 29.A N LEU 25.A O no hydrogen 2.856 N/A TYR 30.A N PHE 26.A O no hydrogen 2.959 N/A LEU 31.A N PRO 27.A O no hydrogen 2.895 N/A ALA 32.A N CYS 28.A O no hydrogen 2.921 N/A LEU 33.A N ALA 29.A O no hydrogen 2.991 N/A GLY 34.A N TYR 30.A O no hydrogen 2.885 N/A ALA 35.A N LEU 31.A O no hydrogen 2.884 N/A TRP 36.A N ALA 32.A O no hydrogen 2.958 N/A TRP 36.A NE1 PHE 161.A O no hydrogen 3.198 N/A PHE 37.A N LEU 33.A O no hydrogen 3.008 N/A THR 38.A N GLY 34.A O no hydrogen 2.858 N/A THR 38.A OG1 GLY 34.A O no hydrogen 2.591 N/A GLY 39.A N ALA 35.A O no hydrogen 2.914 N/A THR 40.A N TRP 36.A O no hydrogen 2.924 N/A THR 40.A OG1 TRP 36.A O no hydrogen 2.735 N/A THR 40.A OG1 PHE 37.A O no hydrogen 3.053 N/A THR 41.A N PHE 37.A O no hydrogen 2.947 N/A THR 41.A OG1 PHE 37.A O no hydrogen 2.822 N/A PHE 42.A N THR 38.A O no hydrogen 3.000 N/A VAL 43.A N GLY 39.A O no hydrogen 3.184 N/A SER 45.A N LEU 51.A O no hydrogen 3.265 N/A TRP 46.A N SER 44.A OG no hydrogen 3.288 N/A THR 48.A OG1 SER 45.A O no hydrogen 3.415 N/A THR 48.A OG1 HIS 49.A ND1 no hydrogen 3.067 N/A HIS 49.A N SER 45.A O no hydrogen 3.070 N/A HIS 49.A ND1 THR 48.A OG1 no hydrogen 3.067 N/A LEU 51.A N SER 45.A O no hydrogen 3.055 N/A SER 53.A N GLU 57.A OE2 no hydrogen 2.740 N/A SER 53.A OG SER 45.A OG no hydrogen 3.296 N/A SER 54.A N GLU 57.A OE2 no hydrogen 3.232 N/A SER 54.A OG PHE 42.A O no hydrogen 3.444 N/A SER 54.A OG GLU 57.A OE2 no hydrogen 3.094 N/A TYR 55.A N THR 40.A O no hydrogen 3.053 N/A LEU 56.A N THR 41.A O no hydrogen 3.020 N/A GLU 57.A N SER 54.A O no hydrogen 3.106 N/A GLY 58.A N SER 54.A O no hydrogen 3.202 N/A GLY 58.A N TYR 55.A O no hydrogen 2.971 N/A CYS 59.A N SER 54.A O no hydrogen 2.949 N/A CYS 59.A SG ALA 52.A O no hydrogen 3.383 N/A CYS 59.A SG THR 63.A O no hydrogen 3.732 N/A ASN 60.A N THR 63.A OG1 no hydrogen 3.265 N/A LEU 62.A N ASN 60.A OD1 no hydrogen 3.004 N/A THR 63.A N ASN 60.A O no hydrogen 3.163 N/A THR 63.A N ASN 60.A OD1 no hydrogen 3.128 N/A ALA 64.A N ASN 60.A O no hydrogen 2.913 N/A ALA 65.A N SER 53.A O no hydrogen 3.060 N/A VAL 66.A N PHE 161.A O no hydrogen 3.011 N/A SER 67.A OG SER 45.A OG no hydrogen 3.084 N/A SER 68.A N SER 160.A OG no hydrogen 3.076 N/A SER 68.A OG HIS 49.A NE2 no hydrogen 3.067 N/A SER 68.A OG PHE 156.A O no hydrogen 2.706 N/A ALA 70.A N ILE 95.A O no hydrogen 3.262 N/A MET 73.A N ALA 70.A O no hydrogen 2.924 N/A GLY 74.A N ASN 71.A O no hydrogen 3.176 N/A HIS 75.A NE2 PRO 149.A O no hydrogen 2.774 N/A SER 76.A N MET 73.A O no hydrogen 3.306 N/A GLY 82.A N PHE 79.A O no hydrogen 2.897 N/A GLN 86.A N GLY 82.A O no hydrogen 2.755 N/A GLY 87.A N LEU 80.A O no hydrogen 2.849 N/A ASP 88.A N ALA 85.A O no hydrogen 3.135 N/A ARG 91.A N ASP 88.A OD1 no hydrogen 2.836 N/A TRP 92.A N ASP 88.A O no hydrogen 2.856 N/A TRP 92.A NE1 LEU 78.A O no hydrogen 2.906 N/A CYS 93.A N PHE 89.A O no hydrogen 2.920 N/A CYS 93.A SG PHE 89.A O no hydrogen 3.453 N/A GLN 94.A N THR 90.A O no hydrogen 2.923 N/A ILE 95.A N ARG 91.A O no hydrogen 2.882 N/A GLY 96.A N TRP 92.A O no hydrogen 3.139 N/A GLY 97.A N TRP 92.A O no hydrogen 2.901 N/A TRP 99.A N GLY 96.A O no hydrogen 3.257 N/A TRP 99.A NE1 PRO 159.A O no hydrogen 2.962 N/A THR 100.A OG1 LEU 77.A O no hydrogen 3.130 N/A THR 100.A OG1 GLY 97.A O no hydrogen 2.918 N/A PHE 101.A N GLY 97.A O no hydrogen 2.923 N/A THR 102.A N LEU 98.A O no hydrogen 2.902 N/A THR 102.A OG1 LEU 98.A O no hydrogen 2.576 N/A ALA 103.A N TRP 99.A O no hydrogen 2.880 N/A LEU 104.A N THR 100.A O no hydrogen 2.909 N/A HIS 105.A N PHE 101.A O no hydrogen 2.962 N/A HIS 105.A ND1 PHE 101.A O no hydrogen 2.892 N/A GLY 106.A N THR 102.A O no hydrogen 2.885 N/A SER 107.A N ALA 103.A O no hydrogen 2.907 N/A PHE 108.A N LEU 104.A O no hydrogen 2.953 N/A GLY 109.A N HIS 105.A O no hydrogen 2.897 N/A LEU 110.A N GLY 106.A O no hydrogen 2.919 N/A ILE 111.A N SER 107.A O no hydrogen 2.965 N/A GLY 112.A N PHE 108.A O no hydrogen 2.901 N/A PHE 113.A N GLY 109.A O no hydrogen 2.887 N/A CYS 114.A N LEU 110.A O no hydrogen 2.961 N/A CYS 114.A SG GLN 117.A OE1 no hydrogen 3.987 N/A CYS 114.A SG ALA 131.A O no hydrogen 3.677 N/A LEU 115.A N ILE 111.A O no hydrogen 2.915 N/A ARG 116.A N GLY 112.A O no hydrogen 2.887 N/A ARG 116.A NH1 PHE 17.A O no hydrogen 3.022 N/A ARG 116.A NH2 PHE 17.A O no hydrogen 3.449 N/A GLN 117.A N PHE 113.A O no hydrogen 2.941 N/A GLN 117.A NE2 ASN 130.A OD1 no hydrogen 2.599 N/A PHE 118.A N CYS 114.A O no hydrogen 2.951 N/A GLU 119.A N LEU 115.A O no hydrogen 2.889 N/A ILE 120.A N ARG 116.A O no hydrogen 2.908 N/A ALA 121.A N GLN 117.A O no hydrogen 2.968 N/A ARG 122.A N PHE 118.A O no hydrogen 2.927 N/A ARG 122.A NE ARG 122.A O no hydrogen 3.080 N/A LEU 123.A N GLU 119.A O no hydrogen 2.899 N/A VAL 124.A N ILE 120.A O no hydrogen 2.916 N/A GLY 125.A N ALA 121.A O no hydrogen 2.822 N/A LEU 126.A N ALA 121.A O no hydrogen 2.783 N/A TYR 129.A N ARG 127.A O no hydrogen 2.896 N/A ALA 133.A N TYR 129.A O no hydrogen 2.965 N/A PHE 134.A N ASN 130.A O no hydrogen 2.931 N/A SER 135.A N ILE 132.A O no hydrogen 2.483 N/A SER 135.A OG ILE 132.A O no hydrogen 2.533 N/A GLY 136.A N ILE 132.A O no hydrogen 3.342 N/A GLY 136.A N ALA 133.A O no hydrogen 3.224 N/A ILE 138.A N PHE 134.A O no hydrogen 3.414 N/A ALA 139.A N SER 135.A O no hydrogen 3.040 N/A VAL 140.A N GLY 136.A O no hydrogen 3.126 N/A PHE 141.A N PRO 137.A O no hydrogen 2.956 N/A VAL 142.A N ILE 138.A O no hydrogen 2.869 N/A SER 143.A N ALA 139.A O no hydrogen 2.959 N/A SER 143.A OG ALA 139.A O no hydrogen 2.671 N/A SER 143.A OG VAL 140.A O no hydrogen 3.064 N/A SER 143.A OG SER 268.A OG no hydrogen 3.400 N/A VAL 144.A N VAL 140.A O no hydrogen 2.949 N/A PHE 145.A N PHE 141.A O no hydrogen 2.893 N/A LEU 146.A N VAL 142.A O no hydrogen 3.255 N/A LEU 147.A N VAL 142.A O no hydrogen 2.827 N/A TYR 148.A N SER 143.A O no hydrogen 2.896 N/A TYR 148.A OH HIS 177.A NE2 no hydrogen 2.860 N/A LEU 150.A N LEU 146.A O no hydrogen 3.092 N/A GLY 151.A N LEU 147.A O no hydrogen 2.917 N/A GLN 152.A N TYR 148.A O no hydrogen 3.122 N/A GLN 152.A NE2 LEU 274.A O no hydrogen 3.249 N/A SER 154.A OG ASN 71.A O no hydrogen 3.477 N/A SER 154.A OG ASN 71.A OD1 no hydrogen 2.841 N/A TRP 155.A N GLY 74.A O no hydrogen 3.216 N/A TRP 155.A NE1 SER 76.A O no hydrogen 2.823 N/A PHE 157.A N SER 154.A O no hydrogen 3.390 N/A ALA 158.A N TRP 155.A O no hydrogen 2.923 N/A PHE 161.A N VAL 66.A O no hydrogen 3.161 N/A ALA 164.A N LEU 62.A O no hydrogen 2.883 N/A ILE 166.A N GLY 162.A O no hydrogen 2.801 N/A PHE 167.A N VAL 163.A O no hydrogen 2.955 N/A ARG 168.A N ALA 164.A O no hydrogen 2.898 N/A ARG 168.A NE ASP 318.A OD1 no hydrogen 2.680 N/A ARG 168.A NE ASP 318.A OD2 no hydrogen 3.181 N/A ARG 168.A NH2 ASP 318.A OD2 no hydrogen 2.459 N/A PHE 169.A N ALA 165.A O no hydrogen 2.923 N/A LEU 170.A N ILE 166.A O no hydrogen 2.908 N/A LEU 171.A N PHE 167.A O no hydrogen 2.970 N/A PHE 172.A N ARG 168.A O no hydrogen 2.859 N/A LEU 173.A N PHE 169.A O no hydrogen 2.944 N/A GLN 174.A N LEU 170.A O no hydrogen 2.939 N/A GLN 174.A NE2 ASN 178.A OD1 no hydrogen 3.365 N/A GLN 174.A NE2 ASN 307.A OD1 no hydrogen 2.765 N/A GLY 175.A N LEU 171.A O no hydrogen 2.912 N/A PHE 176.A N PHE 172.A O no hydrogen 2.899 N/A HIS 177.A N LEU 173.A O no hydrogen 2.916 N/A HIS 177.A NE2 TYR 148.A OH no hydrogen 2.860 N/A ASN 178.A N GLN 174.A O no hydrogen 2.916 N/A ASN 178.A ND2 TYR 281.A O no hydrogen 2.900 N/A TRP 179.A N LEU 173.A O no hydrogen 3.401 N/A THR 180.A OG1 GLN 174.A OE1 no hydrogen 2.699 N/A LEU 181.A N ASN 178.A O no hydrogen 2.883 N/A ASN 182.A N TRP 179.A O no hydrogen 3.199 N/A PHE 184.A N ASN 182.A OD1 no hydrogen 3.027 N/A MET 186.A N ASN 182.A O no hydrogen 3.090 N/A MET 187.A N PRO 183.A O no hydrogen 2.916 N/A GLY 188.A N PHE 184.A O no hydrogen 2.959 N/A VAL 189.A N HIS 185.A O no hydrogen 2.869 N/A ALA 190.A N MET 186.A O no hydrogen 2.935 N/A GLY 191.A N MET 187.A O no hydrogen 2.889 N/A ILE 192.A N GLY 188.A O no hydrogen 2.916 N/A LEU 193.A N VAL 189.A O no hydrogen 2.904 N/A GLY 194.A N ALA 190.A O no hydrogen 2.910 N/A GLY 195.A N GLY 191.A O no hydrogen 2.900 N/A ALA 196.A N ILE 192.A O no hydrogen 2.891 N/A LEU 197.A N LEU 193.A O no hydrogen 2.917 N/A LEU 198.A N GLY 194.A O no hydrogen 2.898 N/A CYS 199.A N GLY 195.A O no hydrogen 2.900 N/A ALA 200.A N ALA 196.A O no hydrogen 2.947 N/A ILE 201.A N LEU 197.A O no hydrogen 2.885 N/A HIS 202.A N LEU 198.A O no hydrogen 2.902 N/A GLY 203.A N CYS 199.A O no hydrogen 2.974 N/A ALA 204.A N ALA 200.A O no hydrogen 2.916 N/A THR 205.A N ILE 201.A O no hydrogen 2.933 N/A THR 205.A OG1 ILE 201.A O no hydrogen 2.656 N/A VAL 206.A N HIS 202.A O no hydrogen 2.941 N/A GLU 207.A N GLY 203.A O no hydrogen 2.944 N/A ASN 208.A N ALA 204.A O no hydrogen 2.922 N/A ASN 208.A N THR 205.A O no hydrogen 3.204 N/A ASN 208.A ND2 ALA 204.A O no hydrogen 2.778 N/A THR 209.A N VAL 206.A O no hydrogen 3.401 N/A THR 209.A OG1 THR 205.A O no hydrogen 2.770 N/A PHE 211.A N THR 228.A O no hydrogen 2.961 N/A PHE 220.A N ASP 218.A OD1 no hydrogen 3.154 N/A PHE 223.A N ARG 221.A O no hydrogen 2.864 N/A GLN 224.A NE2 GLU 226.A O no hydrogen 3.381 N/A SER 230.A N THR 209.A O no hydrogen 2.763 N/A SER 230.A OG THR 233.A OG1 no hydrogen 2.772 N/A THR 233.A N SER 230.A OG no hydrogen 3.135 N/A THR 233.A OG1 SER 230.A OG no hydrogen 2.772 N/A ALA 234.A N SER 230.A O no hydrogen 3.066 N/A ASN 235.A N MET 231.A O no hydrogen 2.912 N/A ASN 235.A ND2 PHE 246.A O no hydrogen 2.615 N/A ARG 236.A N VAL 232.A O no hydrogen 2.924 N/A ARG 236.A NE GLN 240.A OE1 no hydrogen 2.948 N/A PHE 237.A N THR 233.A O no hydrogen 2.897 N/A TRP 238.A N ALA 234.A O no hydrogen 2.940 N/A TRP 238.A NE1 THR 205.A OG1 no hydrogen 2.737 N/A SER 239.A N ASN 235.A O no hydrogen 2.916 N/A SER 239.A OG ASN 235.A O no hydrogen 2.673 N/A SER 239.A OG ASN 235.A OD1 no hydrogen 3.566 N/A GLN 240.A N ARG 236.A O no hydrogen 2.957 N/A ILE 241.A N PHE 237.A O no hydrogen 2.908 N/A PHE 242.A N TRP 238.A O no hydrogen 2.816 N/A GLY 243.A N TRP 238.A O no hydrogen 3.279 N/A LYS 249.A NZ GLU 227.A OE1 no hydrogen 2.986 N/A TRP 251.A N ASN 248.A OD1 no hydrogen 2.910 N/A LEU 252.A N ASN 248.A O no hydrogen 2.972 N/A HIS 253.A N LYS 249.A O no hydrogen 2.966 N/A HIS 253.A ND1 LYS 249.A O no hydrogen 2.833 N/A PHE 254.A N ARG 250.A O no hydrogen 2.967 N/A PHE 255.A N TRP 251.A O no hydrogen 2.884 N/A LEU 256.A N LEU 252.A O no hydrogen 2.988 N/A LEU 257.A N HIS 253.A O no hydrogen 3.015 N/A PHE 258.A N PHE 254.A O no hydrogen 2.828 N/A VAL 259.A N PHE 255.A O no hydrogen 2.988 N/A THR 262.A N PHE 258.A O no hydrogen 3.000 N/A THR 262.A OG1 PHE 258.A O no hydrogen 2.300 N/A THR 262.A OG1 VAL 259.A O no hydrogen 2.630 N/A GLY 263.A N VAL 259.A O no hydrogen 3.021 N/A LEU 264.A N PRO 260.A O no hydrogen 2.973 N/A TRP 265.A N VAL 261.A O no hydrogen 3.023 N/A TRP 265.A NE1 SER 135.A OG no hydrogen 3.152 N/A VAL 266.A N THR 262.A O no hydrogen 2.959 N/A SER 267.A N GLY 263.A O no hydrogen 3.051 N/A SER 267.A OG GLY 263.A O no hydrogen 3.282 N/A SER 267.A OG LEU 264.A O no hydrogen 2.745 N/A SER 268.A N LEU 264.A O no hydrogen 3.004 N/A SER 268.A OG SER 143.A OG no hydrogen 3.400 N/A SER 268.A OG LEU 264.A O no hydrogen 2.911 N/A ILE 269.A N TRP 265.A O no hydrogen 3.054 N/A GLY 270.A N VAL 266.A O no hydrogen 3.079 N/A ILE 271.A N SER 267.A O no hydrogen 2.938 N/A VAL 272.A N SER 268.A O no hydrogen 2.999 N/A GLY 273.A N ILE 269.A O no hydrogen 3.080 N/A LEU 274.A N GLY 270.A O no hydrogen 2.967 N/A ALA 275.A N ILE 271.A O no hydrogen 2.862 N/A LEU 276.A N VAL 272.A O no hydrogen 3.202 N/A LEU 276.A N GLY 273.A O no hydrogen 3.048 N/A ASN 277.A N LEU 274.A O no hydrogen 2.928 N/A LEU 278.A N GLY 273.A O no hydrogen 2.891 N/A ARG 279.A NE HIS 177.A ND1 no hydrogen 2.884 N/A PHE 283.A N TYR 300.A OH no hydrogen 2.897 N/A GLU 287.A N PHE 283.A O no hydrogen 3.119 N/A ILE 288.A N VAL 284.A O no hydrogen 2.901 N/A ARG 289.A N SER 285.A O no hydrogen 2.953 N/A ARG 289.A NE ASP 293.A OD2 no hydrogen 3.218 N/A ARG 289.A NH2 ASP 293.A OD2 no hydrogen 3.489 N/A ALA 290.A N GLN 286.A O no hydrogen 2.883 N/A ALA 291.A N GLU 287.A O no hydrogen 2.895 N/A GLU 292.A N ILE 288.A O no hydrogen 2.968 N/A ASP 293.A N ARG 289.A O no hydrogen 2.749 N/A GLU 295.A N ASP 293.A OD1 no hydrogen 3.181 N/A PHE 296.A N ASP 293.A O no hydrogen 3.186 N/A THR 298.A N THR 301.A OG1 no hydrogen 3.156 N/A THR 298.A OG1 GLN 286.A OE1 no hydrogen 2.816 N/A TYR 300.A OH GLU 287.A OE1 no hydrogen 2.818 N/A THR 301.A OG1 THR 298.A O no hydrogen 2.708 N/A LYS 302.A N THR 298.A O no hydrogen 3.213 N/A ASN 303.A N PHE 299.A O no hydrogen 2.957 N/A ILE 304.A N TYR 300.A O no hydrogen 2.948 N/A LEU 305.A N THR 301.A O no hydrogen 2.966 N/A LEU 306.A N LYS 302.A O no hydrogen 2.986 N/A ASN 307.A N ASN 303.A O no hydrogen 2.923 N/A GLU 308.A N ILE 304.A O no hydrogen 2.995 N/A GLY 309.A N LEU 305.A O no hydrogen 3.029 N/A ILE 310.A N LEU 306.A O no hydrogen 3.028 N/A ARG 311.A N ASN 307.A O no hydrogen 2.933 N/A ARG 311.A NH1 GLY 175.A O no hydrogen 2.699 N/A ARG 311.A NH1 TYR 281.A OH no hydrogen 2.898 N/A ARG 311.A NH2 TYR 281.A OH no hydrogen 3.416 N/A ALA 312.A N GLU 308.A O no hydrogen 3.036 N/A TRP 313.A N GLY 309.A O no hydrogen 3.160 N/A TRP 313.A NE1 PRO 332.A O no hydrogen 3.232 N/A MET 314.A N ILE 310.A O no hydrogen 3.041 N/A ALA 315.A N ARG 311.A O no hydrogen 2.812 N/A ALA 316.A N ALA 312.A O no hydrogen 3.132 N/A GLN 317.A N TRP 313.A O no hydrogen 3.427 N/A ASP 318.A N MET 314.A O no hydrogen 2.742 N/A GLN 319.A N ALA 315.A O no hydrogen 3.395 N/A GLU 322.A N GLN 319.A O no hydrogen 3.294 N/A ASN 323.A N PRO 320.A O no hydrogen 3.212 N/A VAL 330.A N PRO 327.A O no hydrogen 2.971 N/A ARG 333.A NE LEU 337.A OXT no hydrogen 3.007 N/A ARG 333.A NH2 LEU 337.A O no hydrogen 2.684 N/A ARG 333.A NH2 LEU 337.A OXT no hydrogen 3.326 N/A LEU 337.A N ASN 335.A O no hydrogen 2.532 N/A