Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 8ukn_C.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): PHE 5.A N ALA 1.A O no hydrogen 3.200 N/A LEU 6.A N VAL 2.A O no hydrogen 3.113 N/A ALA 7.A N LYS 3.A O no hydrogen 2.975 N/A LYS 8.A N GLU 4.A O no hydrogen 3.083 N/A LYS 8.A NZ ASP 12.A OD1 no hydrogen 3.379 N/A ALA 9.A N PHE 5.A O no hydrogen 3.014 N/A LYS 10.A N LEU 6.A O no hydrogen 2.883 N/A LYS 10.A NZ ASP 147.A OD2 no hydrogen 2.921 N/A GLU 11.A N ALA 7.A O no hydrogen 3.238 N/A ASP 12.A N LYS 8.A O no hydrogen 3.077 N/A PHE 13.A N ALA 9.A O no hydrogen 2.845 N/A LEU 14.A N LYS 10.A O no hydrogen 2.820 N/A LYS 15.A N GLU 11.A O no hydrogen 3.107 N/A LYS 16.A N ASP 12.A O no hydrogen 3.449 N/A TRP 17.A N PHE 13.A O no hydrogen 2.775 N/A GLU 18.A N LEU 14.A O no hydrogen 2.832 N/A THR 19.A N LYS 15.A O no hydrogen 2.984 N/A SER 21.A N GLN 83.A OE1 no hydrogen 3.031 N/A THR 24.A N SER 96.A O no hydrogen 3.072 N/A GLN 29.A N GLN 26.A O no hydrogen 3.155 N/A PHE 30.A N LEU 27.A O no hydrogen 3.368 N/A ASP 31.A N LYS 48.A O no hydrogen 2.839 N/A ILE 33.A N LEU 46.A O no hydrogen 2.861 N/A LYS 34.A N LEU 46.A O no hydrogen 3.423 N/A THR 35.A N GLU 304.A OE2 no hydrogen 2.530 N/A THR 35.A OG1 GLU 304.A OE1 no hydrogen 2.699 N/A THR 35.A OG1 GLU 304.A OE2 no hydrogen 3.253 N/A LEU 36.A N VAL 44.A O no hydrogen 2.826 N/A GLY 37.A N VAL 44.A O no hydrogen 3.356 N/A GLY 39.A N GLY 42.A O no hydrogen 2.611 N/A ARG 43.A NH1 GLU 305.A O no hydrogen 3.159 N/A ARG 43.A NH2 GLU 306.A O no hydrogen 3.129 N/A VAL 44.A N GLY 37.A O no hydrogen 2.954 N/A MET 45.A N MET 58.A O no hydrogen 2.948 N/A LEU 46.A N LYS 34.A O no hydrogen 2.836 N/A VAL 47.A N TYR 56.A O no hydrogen 2.848 N/A LYS 48.A N ASP 31.A O no hydrogen 2.933 N/A HIS 49.A N ASN 54.A O no hydrogen 2.913 N/A LYS 50.A N GLN 29.A O no hydrogen 3.127 N/A LYS 50.A NZ ASP 28.A O no hydrogen 2.839 N/A SER 52.A OG ASN 54.A OD1 no hydrogen 3.478 N/A GLY 53.A N HIS 49.A O no hydrogen 2.773 N/A TYR 56.A N VAL 47.A O no hydrogen 2.888 N/A ALA 57.A N MET 107.A O no hydrogen 2.682 N/A MET 58.A N MET 45.A O no hydrogen 2.873 N/A LYS 59.A N MET 105.A O no hydrogen 2.942 N/A ILE 60.A N ARG 43.A O no hydrogen 2.878 N/A LEU 61.A N LEU 103.A O no hydrogen 2.854 N/A ASP 62.A N PHE 41.A O no hydrogen 3.049 N/A LYS 63.A N SER 101.A O no hydrogen 3.004 N/A LYS 63.A NZ ASP 99.A O no hydrogen 2.983 N/A LYS 63.A NZ ASN 100.A O no hydrogen 3.425 N/A LYS 63.A NZ LYS 313.A O no hydrogen 2.640 N/A LYS 65.A N ASP 62.A OD1 no hydrogen 3.171 N/A VAL 66.A N ASP 62.A O no hydrogen 3.125 N/A VAL 67.A N LYS 63.A O no hydrogen 3.238 N/A LYS 68.A N GLN 64.A O no hydrogen 3.084 N/A LEU 69.A N LYS 65.A O no hydrogen 2.923 N/A LYS 70.A N VAL 67.A O no hydrogen 3.064 N/A GLN 71.A N VAL 66.A O no hydrogen 2.956 N/A HIS 74.A ND1 GLN 71.A OE1 no hydrogen 3.182 N/A THR 75.A N GLN 71.A O no hydrogen 3.212 N/A THR 75.A OG1 GLN 71.A O no hydrogen 2.549 N/A LEU 76.A N ILE 72.A O no hydrogen 3.196 N/A ASN 77.A N GLU 73.A O no hydrogen 2.945 N/A ASN 77.A ND2 PHE 171.A O no hydrogen 3.561 N/A ASN 77.A ND2 GLY 172.A O no hydrogen 3.390 N/A ASN 77.A ND2 ALA 174.A O no hydrogen 2.629 N/A GLU 78.A N HIS 74.A O no hydrogen 3.029 N/A LYS 79.A N THR 75.A O no hydrogen 3.149 N/A LYS 79.A NZ SER 21.A O no hydrogen 2.905 N/A ARG 80.A N LEU 76.A O no hydrogen 3.000 N/A ARG 80.A NE TRP 17.A O no hydrogen 3.301 N/A ARG 80.A NH2 TRP 17.A O no hydrogen 2.799 N/A ILE 81.A N ASN 77.A O no hydrogen 3.065 N/A LEU 82.A N GLU 78.A O no hydrogen 2.921 N/A GLN 83.A N LYS 79.A O no hydrogen 3.099 N/A GLN 83.A NE2 LYS 16.A O no hydrogen 2.873 N/A GLN 83.A NE2 ARG 80.A O no hydrogen 3.133 N/A ALA 84.A N ILE 81.A O no hydrogen 3.008 N/A VAL 85.A N ILE 81.A O no hydrogen 2.967 N/A ASN 86.A N TYR 142.A OH no hydrogen 2.764 N/A LEU 90.A N PHE 87.A O no hydrogen 3.234 N/A VAL 91.A N VAL 168.A O no hydrogen 3.226 N/A LYS 92.A NZ GLU 94.A OE1 no hydrogen 2.492 N/A GLU 94.A N VAL 106.A O no hydrogen 2.871 N/A PHE 95.A N VAL 106.A O no hydrogen 3.193 N/A SER 96.A N THR 24.A OG1 no hydrogen 3.203 N/A PHE 97.A N TYR 104.A O no hydrogen 3.052 N/A LYS 98.A NZ PHE 318.A O no hydrogen 2.456 N/A LYS 98.A NZ THR 319.A O no hydrogen 2.893 N/A LYS 98.A NZ PHE 321.A O no hydrogen 3.442 N/A ASP 99.A N ASN 102.A O no hydrogen 3.129 N/A SER 101.A N ASP 99.A OD1 no hydrogen 3.064 N/A ASN 102.A N ASP 99.A OD1 no hydrogen 2.959 N/A ASN 102.A ND2 TYR 104.A OH no hydrogen 2.932 N/A LEU 103.A N LEU 61.A O no hydrogen 2.754 N/A TYR 104.A N PHE 97.A O no hydrogen 2.766 N/A TYR 104.A OH ASP 99.A OD2 no hydrogen 2.616 N/A MET 105.A N LYS 59.A O no hydrogen 2.952 N/A VAL 106.A N PHE 95.A O no hydrogen 2.824 N/A MET 107.A N ALA 57.A O no hydrogen 2.655 N/A GLU 108.A N LYS 92.A O no hydrogen 3.114 N/A MET 115.A N LEU 158.A O no hydrogen 2.675 N/A SER 117.A OG GLU 114.A OE2 no hydrogen 2.949 N/A HIS 118.A N GLU 114.A O no hydrogen 3.518 N/A LEU 119.A N MET 115.A O no hydrogen 2.785 N/A ARG 120.A N PHE 116.A O no hydrogen 3.045 N/A ARG 121.A N HIS 118.A O no hydrogen 2.922 N/A ILE 122.A N HIS 118.A O no hydrogen 2.815 N/A GLY 123.A N LEU 119.A O no hydrogen 2.798 N/A PHE 125.A N MET 216.A O no hydrogen 2.699 N/A HIS 128.A NE2 TYR 132.A OH no hydrogen 2.947 N/A ARG 130.A N GLU 126.A O no hydrogen 2.831 N/A ARG 130.A NH1 TRP 281.A O no hydrogen 2.835 N/A PHE 131.A N PRO 127.A O no hydrogen 3.158 N/A TYR 132.A N HIS 128.A O no hydrogen 3.395 N/A TYR 132.A OH HIS 128.A NE2 no hydrogen 2.947 N/A ALA 133.A N ALA 129.A O no hydrogen 2.691 N/A ALA 134.A N ARG 130.A O no hydrogen 2.777 N/A GLN 135.A NE2 PHE 131.A O no hydrogen 3.066 N/A ILE 136.A N TYR 132.A O no hydrogen 3.222 N/A VAL 137.A N ALA 133.A O no hydrogen 2.953 N/A LEU 138.A N ALA 134.A O no hydrogen 3.136 N/A THR 139.A N GLN 135.A O no hydrogen 2.901 N/A THR 139.A OG1 GLN 135.A O no hydrogen 2.602 N/A PHE 140.A N ILE 136.A O no hydrogen 2.734 N/A GLU 141.A N VAL 137.A O no hydrogen 2.899 N/A TYR 142.A N LEU 138.A O no hydrogen 2.987 N/A LEU 143.A N THR 139.A O no hydrogen 2.824 N/A HIS 144.A N PHE 140.A O no hydrogen 2.767 N/A HIS 144.A NE2 ASP 205.A OD2 no hydrogen 2.664 N/A SER 145.A N GLU 141.A O no hydrogen 3.197 N/A SER 145.A OG TYR 142.A O no hydrogen 2.622 N/A LEU 146.A N TYR 142.A O no hydrogen 3.290 N/A LEU 146.A N LEU 143.A O no hydrogen 2.932 N/A ASP 147.A N HIS 144.A O no hydrogen 2.847 N/A LEU 148.A N LEU 143.A O no hydrogen 2.984 N/A ILE 149.A N LYS 175.A O no hydrogen 2.860 N/A TYR 150.A N ASP 205.A OD2 no hydrogen 2.918 N/A TYR 150.A OH ASP 170.A O no hydrogen 2.756 N/A ARG 151.A N ASP 205.A OD1 no hydrogen 2.762 N/A ARG 151.A NE PHE 173.A O no hydrogen 2.714 N/A ARG 151.A NH1 TYR 200.A OH no hydrogen 2.993 N/A ARG 151.A NH2 PHE 173.A O no hydrogen 2.961 N/A ASN 157.A N LYS 154.A O no hydrogen 2.937 N/A ASN 157.A ND2 ASP 152.A O no hydrogen 2.898 N/A ASN 157.A ND2 ASP 152.A OD2 no hydrogen 2.972 N/A LEU 158.A N PRO 155.A O no hydrogen 3.170 N/A LEU 159.A N GLN 167.A O no hydrogen 2.932 N/A ILE 160.A N GLY 113.A O no hydrogen 3.172 N/A ASP 161.A N TYR 165.A O no hydrogen 2.934 N/A GLN 162.A NE2 GLN 163.A OE1 no hydrogen 3.216 N/A GLY 164.A N ASP 161.A O no hydrogen 2.757 N/A TYR 165.A N ASP 161.A OD1 no hydrogen 2.482 N/A TYR 165.A OH VAL 295.A O no hydrogen 2.535 N/A ILE 166.A N GLN 135.A OE1 no hydrogen 2.683 N/A GLN 167.A N LEU 159.A O no hydrogen 2.892 N/A GLN 167.A NE2 ASP 161.A OD2 no hydrogen 3.295 N/A VAL 168.A N PHE 89.A O no hydrogen 2.976 N/A THR 169.A N ASN 157.A O no hydrogen 3.189 N/A THR 169.A OG1 ASN 157.A O no hydrogen 3.420 N/A PHE 171.A N GLU 78.A OE1 no hydrogen 2.763 N/A GLY 172.A N ASP 170.A OD1 no hydrogen 3.078 N/A ALA 174.A N PHE 171.A O no hydrogen 3.377 N/A LYS 175.A N ILE 149.A O no hydrogen 3.168 N/A LYS 175.A NZ THR 181.A OG1 no hydrogen 2.709 N/A ARG 176.A NE LEU 146.A O no hydrogen 2.721 N/A ARG 176.A NH2 LEU 146.A O no hydrogen 3.456 N/A VAL 177.A N ASP 147.A O no hydrogen 2.748 N/A THR 181.A N TYR 200.A O no hydrogen 3.042 N/A GLU 188.A N GLU 188.A OE1 no hydrogen 2.710 N/A TYR 189.A N THR 186.A O no hydrogen 3.023 N/A LEU 190.A N PRO 187.A O no hydrogen 3.115 N/A GLU 193.A N GLU 193.A OE1 no hydrogen 2.730 N/A ILE 194.A N ALA 191.A O no hydrogen 3.059 N/A LEU 196.A N PRO 192.A O no hydrogen 3.040 N/A SER 197.A N ILE 194.A O no hydrogen 3.152 N/A SER 197.A OG ILE 195.A O no hydrogen 3.319 N/A TYR 200.A N THR 181.A O no hydrogen 3.073 N/A LYS 202.A NZ HIS 144.A ND1 no hydrogen 3.560 N/A ALA 203.A N ASN 201.A OD1 no hydrogen 3.093 N/A VAL 204.A N ASN 201.A O no hydrogen 3.338 N/A ASP 205.A N LYS 202.A O no hydrogen 3.030 N/A TRP 207.A N ALA 203.A O no hydrogen 3.256 N/A ALA 208.A N VAL 204.A O no hydrogen 2.990 N/A LEU 209.A N ASP 205.A O no hydrogen 2.869 N/A GLY 210.A N TRP 206.A O no hydrogen 2.976 N/A VAL 211.A N TRP 207.A O no hydrogen 2.991 N/A LEU 212.A N ALA 208.A O no hydrogen 2.835 N/A ILE 213.A N LEU 209.A O no hydrogen 2.845 N/A TYR 214.A N GLY 210.A O no hydrogen 3.132 N/A TYR 214.A OH ARG 241.A O no hydrogen 2.312 N/A GLU 215.A N VAL 211.A O no hydrogen 3.021 N/A MET 216.A N LEU 212.A O no hydrogen 3.021 N/A ALA 217.A N ILE 213.A O no hydrogen 2.998 N/A ALA 218.A N TYR 214.A O no hydrogen 2.722 N/A GLY 219.A N GLU 215.A O no hydrogen 2.646 N/A GLN 227.A N GLN 230.A OE1 no hydrogen 3.250 N/A GLN 230.A N GLN 227.A O no hydrogen 3.041 N/A ILE 231.A N GLN 227.A O no hydrogen 3.229 N/A TYR 232.A N PRO 228.A O no hydrogen 2.814 N/A GLU 233.A N ILE 229.A O no hydrogen 3.172 N/A LYS 234.A N GLN 230.A O no hydrogen 3.130 N/A LYS 234.A NZ PHE 224.A O no hydrogen 3.400 N/A ILE 235.A N ILE 231.A O no hydrogen 2.913 N/A VAL 236.A N TYR 232.A O no hydrogen 2.949 N/A SER 237.A N GLU 233.A O no hydrogen 2.845 N/A SER 237.A OG LYS 234.A O no hydrogen 3.089 N/A GLY 238.A N LYS 234.A O no hydrogen 3.191 N/A LYS 239.A N SER 237.A OG no hydrogen 3.391 N/A PHE 246.A N PRO 243.A O no hydrogen 3.177 N/A SER 247.A N GLU 126.A OE2 no hydrogen 2.886 N/A SER 247.A OG GLU 126.A OE1 no hydrogen 2.883 N/A SER 247.A OG GLU 126.A OE2 no hydrogen 3.462 N/A LEU 250.A N SER 247.A OG no hydrogen 3.009 N/A LYS 251.A N SER 247.A O no hydrogen 3.079 N/A ASP 252.A N SER 248.A O no hydrogen 3.057 N/A LEU 253.A N ASP 249.A O no hydrogen 2.958 N/A LEU 254.A N LEU 250.A O no hydrogen 2.984 N/A ARG 255.A N LYS 251.A O no hydrogen 2.952 N/A ASN 256.A N ASP 252.A O no hydrogen 3.251 N/A ASN 256.A N LEU 253.A O no hydrogen 3.072 N/A ASN 256.A ND2 ASP 252.A O no hydrogen 2.973 N/A LEU 257.A N LEU 253.A O no hydrogen 2.844 N/A LEU 258.A N LEU 254.A O no hydrogen 2.767 N/A THR 263.A N ASP 261.A OD1 no hydrogen 2.999 N/A THR 263.A OG1 ASP 261.A OD1 no hydrogen 2.748 N/A LYS 264.A N ASP 261.A O no hydrogen 2.880 N/A ARG 265.A NE GLN 259.A O no hydrogen 2.875 N/A ARG 265.A NH1 GLU 193.A OE1 no hydrogen 3.481 N/A ARG 265.A NH1 GLU 193.A OE2 no hydrogen 2.767 N/A ARG 265.A NH1 ALA 203.A O no hydrogen 3.147 N/A ARG 265.A NH2 GLU 193.A OE1 no hydrogen 2.987 N/A ARG 265.A NH2 GLN 259.A O no hydrogen 2.843 N/A PHE 266.A N ASN 256.A O no hydrogen 3.047 N/A ASN 268.A N ARG 265.A O no hydrogen 2.990 N/A ASN 268.A ND2 LEU 262.A O no hydrogen 2.799 N/A ASN 271.A ND2 ASP 275.A OD1 no hydrogen 3.255 N/A GLY 272.A N LEU 269.A O no hydrogen 2.894 N/A ASN 274.A N ASN 271.A O no hydrogen 3.109 N/A ASN 274.A ND2 ASN 271.A O no hydrogen 3.588 N/A ASP 275.A N GLY 272.A O no hydrogen 3.391 N/A ILE 276.A N VAL 273.A O no hydrogen 2.945 N/A LYS 277.A N VAL 273.A O no hydrogen 3.013 N/A LYS 277.A NZ GLU 141.A OE1 no hydrogen 2.965 N/A LYS 277.A NZ GLU 141.A OE2 no hydrogen 3.393 N/A ASN 278.A N ASN 274.A O no hydrogen 2.858 N/A HIS 279.A N ILE 276.A O no hydrogen 3.102 N/A HIS 279.A NE2 ASP 252.A OD2 no hydrogen 2.749 N/A TRP 281.A N HIS 279.A ND1 no hydrogen 3.035 N/A TRP 281.A NE1 GLU 126.A OE1 no hydrogen 2.857 N/A PHE 282.A N HIS 279.A O no hydrogen 3.008 N/A ALA 283.A N LYS 280.A O no hydrogen 3.115 N/A THR 285.A N PHE 282.A O no hydrogen 3.016 N/A ALA 289.A N ASP 286.A OD1 no hydrogen 3.351 N/A ILE 290.A N ASP 286.A O no hydrogen 3.066 N/A TYR 291.A N TRP 287.A O no hydrogen 3.192 N/A GLN 292.A N ILE 288.A O no hydrogen 2.985 N/A ARG 293.A N ILE 290.A O no hydrogen 2.987 N/A ARG 293.A NH1 ASP 161.A OD2 no hydrogen 3.291 N/A ARG 293.A NH2 PRO 88.A O no hydrogen 3.466 N/A ARG 293.A NH2 ASP 161.A OD2 no hydrogen 2.768 N/A LYS 294.A N ALA 289.A O no hydrogen 3.072 N/A LYS 313.A N ASN 100.A O no hydrogen 2.769 N/A CYS 314.A SG LYS 63.A O no hydrogen 4.040 N/A GLU 317.A N GLU 317.A OE1 no hydrogen 2.555 N/A PHE 318.A N CYS 314.A O no hydrogen 3.448 N/A THR 319.A OG1 GLY 315.A O no hydrogen 2.891 N/A THR 319.A OG1 LYS 316.A O no hydrogen 2.839 N/A PHE 321.A N PHE 318.A O no hydrogen 3.355 N/A