Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3ua8_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): VAL 2.A N LYS 46.A O no hydrogen 2.798 N/A VAL 3.A N ASP 80.A OD2 no hydrogen 2.806 N/A VAL 4.A N LYS 48.A O no hydrogen 2.924 N/A THR 5.A N ILE 81.A O no hydrogen 2.788 N/A THR 6.A N THR 50.A O no hydrogen 3.028 N/A THR 6.A OG1 ILE 83.A O no hydrogen 2.778 N/A ILE 7.A N THR 6.A OG1 no hydrogen 2.852 N/A GLU 9.A N VAL 13.A O no hydrogen 3.016 N/A TYR 12.A N GLU 9.A O no hydrogen 2.783 N/A VAL 13.A N GLU 9.A O no hydrogen 3.036 N/A MET 14.A N GLU 29.A O no hydrogen 2.781 N/A LYS 16.A N ARG 27.A O no hydrogen 2.859 N/A LYS 16.A NZ GLU 26.A O no hydrogen 2.819 N/A HIS 19.A N LYS 16.A O no hydrogen 3.143 N/A MET 21.A N ASN 18.A O no hydrogen 3.032 N/A LEU 22.A N HIS 19.A O no hydrogen 2.870 N/A ASN 25.A ND2 TYR 47.A O no hydrogen 2.953 N/A GLU 26.A N GLU 23.A O no hydrogen 3.299 N/A ARG 27.A N GLY 24.A O no hydrogen 3.191 N/A ARG 27.A NE GLY 24.A O no hydrogen 2.769 N/A ARG 27.A NH2 GLY 24.A O no hydrogen 3.554 N/A TYR 28.A N ASN 25.A O no hydrogen 3.354 N/A GLU 29.A N MET 14.A O no hydrogen 2.938 N/A TYR 31.A N PRO 11.A O no hydrogen 2.913 N/A CYS 32.A N TYR 12.A O no hydrogen 2.846 N/A ASP 34.A N GLY 30.A O no hydrogen 3.042 N/A LEU 35.A N TYR 31.A O no hydrogen 2.928 N/A ALA 36.A N CYS 32.A O no hydrogen 2.828 N/A ALA 37.A N VAL 33.A O no hydrogen 3.152 N/A GLU 38.A N ASP 34.A O no hydrogen 3.119 N/A ILE 39.A N LEU 35.A O no hydrogen 2.922 N/A ALA 40.A N ALA 36.A O no hydrogen 2.931 N/A LYS 41.A N ALA 37.A O no hydrogen 3.040 N/A LYS 41.A NZ GLU 38.A OE1 no hydrogen 3.282 N/A HIS 42.A N GLU 38.A O no hydrogen 3.021 N/A CYS 43.A N ILE 39.A O no hydrogen 2.854 N/A CYS 43.A SG ILE 39.A O no hydrogen 3.384 N/A GLY 44.A N ALA 40.A O no hydrogen 2.733 N/A PHE 45.A N ALA 40.A O no hydrogen 3.046 N/A LYS 48.A N VAL 2.A O no hydrogen 2.896 N/A LEU 49.A N ASN 25.A OD1 no hydrogen 2.867 N/A THR 50.A N VAL 4.A O no hydrogen 2.763 N/A THR 50.A OG1 VAL 4.A O no hydrogen 3.100 N/A VAL 52.A N THR 6.A O no hydrogen 2.768 N/A GLY 55.A N VAL 52.A O no hydrogen 3.354 N/A LYS 56.A N ASP 54.A OD1 no hydrogen 3.004 N/A TYR 57.A OH GLU 9.A OE1 no hydrogen 2.734 N/A ALA 59.A N ASN 68.A OD1 no hydrogen 2.850 N/A ASP 61.A N ILE 66.A O no hydrogen 2.790 N/A ASP 63.A N ASP 61.A OD1 no hydrogen 3.074 N/A THR 64.A N ASP 61.A OD1 no hydrogen 3.058 N/A THR 64.A OG1 ASP 61.A OD1 no hydrogen 3.380 N/A LYS 65.A N ASP 61.A O no hydrogen 2.825 N/A LYS 65.A NZ ALA 62.A O no hydrogen 2.804 N/A ILE 66.A N THR 64.A OG1 no hydrogen 3.152 N/A TRP 67.A N TYR 76.A OH no hydrogen 2.980 N/A ASN 68.A N ALA 59.A O no hydrogen 2.994 N/A GLY 69.A N ASP 54.A OD2 no hydrogen 2.865 N/A MET 70.A N LYS 56.A O no hydrogen 3.167 N/A MET 70.A N TYR 57.A O no hydrogen 3.021 N/A VAL 71.A N TYR 57.A O no hydrogen 3.323 N/A GLY 72.A N ASN 68.A O no hydrogen 2.931 N/A GLU 73.A N GLY 69.A O no hydrogen 3.135 N/A LEU 74.A N MET 70.A O no hydrogen 3.144 N/A VAL 75.A N VAL 71.A O no hydrogen 2.913 N/A TYR 76.A N GLY 72.A O no hydrogen 2.977 N/A GLY 77.A N LEU 74.A O no hydrogen 3.446 N/A LYS 78.A N GLU 73.A O no hydrogen 2.821 N/A ALA 79.A N GLU 73.A O no hydrogen 3.105 N/A ASP 80.A N VAL 3.A O no hydrogen 2.805 N/A ALA 82.A N ALA 219.A O no hydrogen 2.888 N/A ILE 83.A N THR 5.A O no hydrogen 3.223 N/A LEU 86.A N ALA 84.A O no hydrogen 2.760 N/A ILE 88.A N GLY 215.A O no hydrogen 2.857 N/A ARG 92.A NE GLY 58.A O no hydrogen 3.054 N/A ARG 92.A NH1 THR 87.A O no hydrogen 3.029 N/A ARG 92.A NH2 GLY 58.A O no hydrogen 2.939 N/A GLU 93.A N THR 89.A O no hydrogen 2.862 N/A GLU 94.A N LEU 90.A O no hydrogen 3.105 N/A VAL 95.A N ARG 92.A O no hydrogen 2.962 N/A ILE 96.A N ARG 92.A O no hydrogen 2.927 N/A ASP 97.A N THR 220.A O no hydrogen 2.899 N/A PHE 98.A N GLU 93.A OE2 no hydrogen 3.036 N/A SER 99.A N ILE 218.A O no hydrogen 2.695 N/A SER 99.A OG LYS 100.A O no hydrogen 2.722 N/A LYS 100.A N ASN 231.A OD1 no hydrogen 2.889 N/A PHE 102.A N TYR 216.A O no hydrogen 2.852 N/A LEU 105.A N LYS 214.A O no hydrogen 2.945 N/A GLY 106.A N SER 190.A OG no hydrogen 2.977 N/A ILE 107.A N ASP 212.A OD1 no hydrogen 2.791 N/A SER 108.A N LEU 188.A O no hydrogen 2.775 N/A SER 108.A OG LEU 188.A O no hydrogen 2.764 N/A MET 110.A N TYR 186.A O no hydrogen 2.794 N/A ILE 111.A N MET 205.A O no hydrogen 3.122 N/A LYS 112.A NZ ARG 178.A O no hydrogen 2.965 N/A LYS 112.A NZ ASP 203.A OD2 no hydrogen 3.103 N/A LYS 113.A N ASP 203.A O no hydrogen 2.816 N/A THR 115.A N LYS 112.A O no hydrogen 3.066 N/A THR 115.A OG1 LYS 112.A O no hydrogen 2.803 N/A ILE 117.A N THR 115.A O no hydrogen 2.805 N/A GLU 118.A N ASP 122.A OD2 no hydrogen 3.041 N/A SER 119.A OG GLU 121.A OE1 no hydrogen 3.555 N/A GLU 121.A N GLU 121.A OE1 no hydrogen 2.774 N/A ASP 122.A N SER 119.A OG no hydrogen 2.873 N/A LEU 123.A N SER 119.A O no hydrogen 3.161 N/A SER 124.A N ALA 120.A O no hydrogen 2.881 N/A SER 124.A OG GLU 121.A O no hydrogen 2.645 N/A LYS 125.A N GLU 121.A O no hydrogen 3.238 N/A LYS 125.A N ASP 122.A O no hydrogen 3.221 N/A GLN 126.A N LEU 123.A O no hydrogen 3.266 N/A GLN 126.A NE2 LEU 123.A O no hydrogen 3.055 N/A GLN 126.A NE2 ILE 129.A O no hydrogen 2.876 N/A ILE 129.A N GLN 126.A OE1 no hydrogen 2.761 N/A ALA 130.A N LYS 183.A O no hydrogen 2.951 N/A GLY 132.A N ALA 185.A O no hydrogen 3.270 N/A THR 133.A OG1 LEU 134.A O no hydrogen 2.797 N/A ASP 135.A N VAL 167.A O no hydrogen 2.792 N/A LYS 140.A NZ ASP 135.A O no hydrogen 3.204 N/A LYS 140.A NZ ASP 135.A OD1 no hydrogen 3.108 N/A GLU 141.A N GLY 137.A O no hydrogen 3.231 N/A PHE 142.A N SER 138.A O no hydrogen 2.890 N/A PHE 143.A N THR 139.A O no hydrogen 3.500 N/A ARG 144.A N LYS 140.A O no hydrogen 2.986 N/A ARG 145.A N GLU 141.A O no hydrogen 2.951 N/A ARG 145.A NE GLU 141.A OE1 no hydrogen 3.437 N/A ARG 145.A NH2 GLU 141.A OE1 no hydrogen 3.327 N/A SER 146.A N PHE 143.A O no hydrogen 3.414 N/A LYS 147.A NZ ARG 145.A O no hydrogen 3.565 N/A ILE 148.A N SER 146.A OG no hydrogen 3.135 N/A ASP 152.A N ILE 148.A O no hydrogen 2.833 N/A LYS 153.A N ALA 149.A O no hydrogen 2.979 N/A LYS 153.A NZ SER 124.A O no hydrogen 2.742 N/A MET 154.A N VAL 150.A O no hydrogen 3.018 N/A TRP 155.A N PHE 151.A O no hydrogen 2.896 N/A THR 156.A N ASP 152.A O no hydrogen 2.980 N/A THR 156.A OG1 ASP 152.A O no hydrogen 2.844 N/A TYR 157.A N LYS 153.A O no hydrogen 3.134 N/A MET 158.A N MET 154.A O no hydrogen 2.898 N/A ARG 159.A N TRP 155.A O no hydrogen 2.974 N/A SER 160.A N TYR 157.A O no hydrogen 3.181 N/A ALA 161.A N MET 158.A O no hydrogen 3.386 N/A PHE 166.A N SER 164.A OG no hydrogen 3.086 N/A VAL 167.A N THR 133.A O no hydrogen 3.075 N/A ARG 168.A N GLU 172.A OE1 no hydrogen 3.003 N/A GLU 172.A N THR 169.A OG1 no hydrogen 3.038 N/A GLY 173.A N THR 169.A O no hydrogen 3.041 N/A VAL 174.A N THR 170.A O no hydrogen 2.854 N/A ALA 175.A N ALA 171.A O no hydrogen 2.905 N/A ARG 176.A N GLU 172.A O no hydrogen 2.925 N/A ARG 176.A NH1 SER 164.A O no hydrogen 2.999 N/A ARG 176.A NH2 SER 164.A O no hydrogen 2.931 N/A VAL 177.A N GLY 173.A O no hydrogen 3.032 N/A ARG 178.A N VAL 174.A O no hydrogen 3.044 N/A ARG 178.A NE ASP 203.A OD1 no hydrogen 2.855 N/A ARG 178.A NH2 ASP 203.A OD1 no hydrogen 3.390 N/A LYS 179.A N ALA 175.A O no hydrogen 2.945 N/A SER 180.A OG ARG 176.A O no hydrogen 3.158 N/A LYS 183.A N SER 180.A O no hydrogen 2.922 N/A LYS 183.A NZ LYS 181.A O no hydrogen 2.947 N/A TYR 184.A OH VAL 165.A O no hydrogen 2.695 N/A ALA 185.A N ALA 130.A O no hydrogen 2.828 N/A TYR 186.A N MET 110.A O no hydrogen 2.936 N/A LEU 187.A N GLY 132.A O no hydrogen 2.900 N/A LEU 188.A N SER 108.A O no hydrogen 2.967 N/A GLU 189.A N GLU 189.A OE1 no hydrogen 2.772 N/A SER 190.A N GLY 106.A O no hydrogen 2.765 N/A SER 190.A OG GLY 106.A O no hydrogen 3.313 N/A THR 191.A OG1 TYR 216.A OH no hydrogen 3.213 N/A ASN 193.A N GLU 189.A O no hydrogen 3.059 N/A ASN 193.A ND2 SER 108.A OG no hydrogen 3.053 N/A ASN 193.A ND2 ILE 109.A O no hydrogen 2.969 N/A GLU 194.A N SER 190.A O no hydrogen 2.774 N/A TYR 195.A N THR 191.A O no hydrogen 2.958 N/A ILE 196.A N MET 192.A O no hydrogen 2.943 N/A GLU 197.A N ASN 193.A O no hydrogen 3.001 N/A GLN 198.A N TYR 195.A O no hydrogen 3.059 N/A ARG 199.A N ILE 196.A O no hydrogen 3.125 N/A ARG 199.A NH1 LYS 254.A O no hydrogen 2.962 N/A LYS 200.A N GLU 256.A OE1 no hydrogen 2.915 N/A LYS 200.A NZ GLU 256.A OE2 no hydrogen 2.717 N/A CYS 202.A N ARG 199.A O no hydrogen 2.967 N/A CYS 202.A SG ARG 199.A O no hydrogen 3.791 N/A CYS 202.A SG GLU 256.A O no hydrogen 3.834 N/A MET 205.A N ILE 111.A O no hydrogen 3.015 N/A LYS 206.A N GLU 197.A OE1 no hydrogen 2.924 N/A LYS 206.A NZ GLU 194.A OE2 no hydrogen 3.053 N/A LYS 206.A NZ ASN 210.A OD1 no hydrogen 2.654 N/A VAL 207.A N ILE 109.A O no hydrogen 2.996 N/A LEU 211.A N ILE 107.A O no hydrogen 2.710 N/A LYS 214.A N LEU 105.A O no hydrogen 2.804 N/A LYS 214.A NZ ASP 212.A OD2 no hydrogen 2.892 N/A TYR 216.A N MET 103.A O no hydrogen 2.936 N/A TYR 216.A OH THR 191.A OG1 no hydrogen 3.213 N/A GLY 217.A N LEU 86.A O no hydrogen 3.039 N/A ILE 218.A N SER 99.A OG no hydrogen 2.978 N/A ALA 219.A N ALA 82.A O no hydrogen 3.154 N/A THR 220.A N ASP 97.A O no hydrogen 2.888 N/A LYS 222.A NZ GLU 93.A O no hydrogen 3.422 N/A LYS 222.A NZ ILE 96.A O no hydrogen 3.392 N/A LYS 222.A NZ ASP 97.A OD1 no hydrogen 3.240 N/A SER 224.A N PRO 221.A O no hydrogen 3.085 N/A LEU 226.A N SER 224.A OG no hydrogen 3.130 N/A ARG 227.A N SER 224.A O no hydrogen 3.478 N/A VAL 230.A N LEU 226.A O no hydrogen 2.949 N/A ASN 231.A N ARG 227.A O no hydrogen 3.127 N/A LEU 232.A N ASN 228.A O no hydrogen 3.024 N/A ALA 233.A N ALA 229.A O no hydrogen 2.919 N/A VAL 234.A N VAL 230.A O no hydrogen 3.056 N/A LEU 235.A N ASN 231.A O no hydrogen 3.140 N/A LYS 236.A N LEU 232.A O no hydrogen 2.941 N/A LEU 237.A N ALA 233.A O no hydrogen 2.977 N/A ASN 238.A N VAL 234.A O no hydrogen 2.998 N/A GLU 239.A N LEU 235.A O no hydrogen 3.011 N/A GLN 240.A N LYS 236.A O no hydrogen 2.873 N/A GLY 241.A N ASN 238.A O no hydrogen 3.051 N/A LEU 242.A N LEU 237.A O no hydrogen 3.064 N/A LEU 243.A N LEU 237.A O no hydrogen 3.488 N/A LYS 245.A N GLY 241.A O no hydrogen 3.234 N/A LEU 246.A N LEU 242.A O no hydrogen 2.932 N/A LYS 247.A N LEU 243.A O no hydrogen 2.943 N/A LYS 247.A NZ GLU 194.A OE1 no hydrogen 2.678 N/A ASN 248.A N ASP 244.A O no hydrogen 2.977 N/A LYS 249.A N LYS 245.A O no hydrogen 2.917 N/A LYS 249.A NZ ASP 34.A OD2 no hydrogen 2.984 N/A TRP 250.A N LEU 246.A O no hydrogen 3.185 N/A TRP 250.A NE1 ASP 34.A OD2 no hydrogen 2.963 N/A TRP 251.A N LYS 247.A O no hydrogen 2.991 N/A TRP 251.A NE1 THR 191.A O no hydrogen 2.922 N/A TYR 252.A N ASN 248.A O no hydrogen 2.900 N/A ASP 253.A N ASN 248.A O no hydrogen 2.869 N/A LYS 254.A N LYS 249.A O no hydrogen 3.006 N/A GLY 255.A N TYR 252.A O no hydrogen 2.960 N/A GLU 256.A N GLN 198.A O no hydrogen 2.707 N/A CYS 257.A SG GLU 197.A O no hydrogen 3.392 N/A