Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3vk8_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): GLN 2.A N GLU 5.A OE1 no hydrogen 2.624 N/A GLY 3.A N GLY 169.A O no hydrogen 2.734 N/A VAL 6.A N GLN 2.A O no hydrogen 3.065 N/A ALA 7.A N GLY 3.A O no hydrogen 2.913 N/A LEU 8.A N PRO 4.A O no hydrogen 3.060 N/A THR 9.A N GLU 5.A O no hydrogen 2.970 N/A THR 9.A OG1 GLU 5.A O no hydrogen 2.821 N/A ALA 10.A N VAL 6.A O no hydrogen 2.957 N/A ASP 11.A N ALA 7.A O no hydrogen 2.984 N/A ILE 12.A N LEU 8.A O no hydrogen 3.004 N/A LEU 13.A N THR 9.A O no hydrogen 2.854 N/A GLU 14.A N ALA 10.A O no hydrogen 2.871 N/A LYS 15.A N ASP 11.A O no hydrogen 2.960 N/A LYS 15.A NZ TYR 16.A OH no hydrogen 3.515 N/A LYS 15.A NZ LYS 230.A O no hydrogen 3.127 N/A TYR 16.A N ILE 12.A O no hydrogen 3.164 N/A TYR 16.A OH GLU 227.A OE1 no hydrogen 2.331 N/A PHE 17.A N LEU 13.A O no hydrogen 2.744 N/A LYS 18.A N GLU 14.A O no hydrogen 3.028 N/A GLY 19.A N VAL 51.A O no hydrogen 2.748 N/A LYS 20.A N PHE 17.A O no hydrogen 2.915 N/A LEU 22.A N LEU 49.A O no hydrogen 2.732 N/A GLU 23.A N SER 100.A O no hydrogen 2.829 N/A TYR 24.A N.A SER 100.A O no hydrogen 3.228 N/A TYR 24.A N.B SER 100.A O no hydrogen 3.250 N/A ASP 26.A N VAL 98.A O no hydrogen 2.776 N/A ILE 28.A N ARG 96.A O no hydrogen 2.927 N/A SER 29.A OG THR 95.A O no hydrogen 2.971 N/A ARG 31.A NH1 ASN 114.A O no hydrogen 3.536 N/A ARG 31.A NH1 GLY 116.A O no hydrogen 3.151 N/A SER 33.A N GLY 30.A O no hydrogen 3.182 N/A SER 33.A OG GLY 30.A O no hydrogen 2.845 N/A LYS 34.A N ARG 31.A O no hydrogen 3.137 N/A SER 35.A N ARG 31.A O no hydrogen 2.962 N/A TYR 40.A N PRO 37.A O no hydrogen 3.155 N/A TYR 40.A OH ILE 25.A O no hydrogen 3.003 N/A PHE 43.A N GLY 39.A O no hydrogen 3.070 N/A ILE 44.A N TYR 40.A O no hydrogen 2.953 N/A ALA 45.A N ASP 41.A O no hydrogen 3.236 N/A ASN 46.A N PHE 43.A O no hydrogen 2.858 N/A ASN 46.A ND2 ASP 42.A O no hydrogen 2.957 N/A LEU 47.A N ILE 44.A O no hydrogen 3.364 N/A LEU 49.A N LEU 22.A O no hydrogen 3.104 N/A LYS 50.A N PHE 66.A O no hydrogen 2.812 N/A VAL 51.A N LYS 20.A O no hydrogen 2.985 N/A SER 52.A N GLU 64.A O no hydrogen 2.846 N/A SER 52.A OG ASN 53.A OD1 no hydrogen 2.998 N/A SER 52.A OG GLU 64.A O no hydrogen 2.968 N/A ASN 53.A N GLU 64.A O no hydrogen 3.430 N/A VAL 54.A N GLU 14.A OE1 no hydrogen 2.920 N/A ASP 55.A N TRP 62.A O no hydrogen 2.959 N/A THR 56.A N ASP 55.A OD1 no hydrogen 2.652 N/A LYS 57.A N PHE 60.A O no hydrogen 2.940 N/A LYS 57.A NZ LEU 131.A O no hydrogen 2.676 N/A LYS 57.A NZ LEU 134.A O no hydrogen 3.038 N/A GLY 58.A N ASP 137.A OD2 no hydrogen 2.730 N/A LYS 59.A NZ LEU 170.A O no hydrogen 3.034 N/A PHE 60.A N LYS 57.A O no hydrogen 3.005 N/A LEU 61.A N ASN 79.A O no hydrogen 3.056 N/A TRP 62.A N ASP 55.A O no hydrogen 2.968 N/A PHE 63.A N ILE 77.A O no hydrogen 2.919 N/A GLU 64.A N ASN 53.A O no hydrogen 2.962 N/A LEU 65.A N TRP 75.A O no hydrogen 2.755 N/A PHE 66.A N LYS 50.A O no hydrogen 2.899 N/A ASN 69.A N ASP 67.A OD2 no hydrogen 2.757 N/A ASP 70.A N ASP 67.A O no hydrogen 2.843 N/A LYS 71.A NZ PRO 68.A O no hydrogen 2.744 N/A SER 72.A OG ASP 70.A OD1 no hydrogen 2.660 N/A ASN 73.A N ASP 70.A O no hydrogen 2.663 N/A TRP 75.A N LEU 65.A O no hydrogen 2.774 N/A TYR 76.A N SER 121.A O no hydrogen 2.698 N/A ILE 77.A N PHE 63.A O no hydrogen 2.989 N/A TRP 78.A N LYS 119.A O no hydrogen 2.665 N/A ASN 79.A N LEU 61.A O no hydrogen 2.833 N/A THR 80.A N THR 117.A O no hydrogen 3.153 N/A THR 80.A OG1 THR 117.A OG1 no hydrogen 2.427 N/A THR 84.A OG1 ASP 111.A OD1 no hydrogen 2.632 N/A GLY 85.A N PHE 81.A O no hydrogen 2.893 N/A MET 86.A N SER 110.A O no hydrogen 2.970 N/A SER 88.A N TYR 108.A O no hydrogen 2.789 N/A SER 88.A OG PHE 90.A O no hydrogen 2.615 N/A THR 95.A N ALA 92.A O no hydrogen 3.216 N/A THR 95.A OG1 ALA 92.A O no hydrogen 2.654 N/A ARG 96.A N PHE 109.A O no hydrogen 2.843 N/A ARG 96.A NE ASP 111.A O no hydrogen 2.923 N/A ARG 96.A NH1 SER 29.A OG no hydrogen 2.921 N/A ARG 96.A NH2 ASP 111.A O no hydrogen 3.103 N/A ARG 96.A NH2 MET 112.A O no hydrogen 3.100 N/A ALA 97.A N PHE 109.A O no hydrogen 3.141 N/A VAL 98.A N ASP 26.A O no hydrogen 2.760 N/A LEU 99.A N ALA 107.A O no hydrogen 2.869 N/A SER 100.A N TYR 24.A O.A no hydrogen 2.737 N/A SER 100.A N TYR 24.A O.B no hydrogen 2.769 N/A PHE 101.A N LEU 105.A O no hydrogen 2.749 N/A ASP 102.A N THR 21.A O no hydrogen 3.021 N/A ALA 107.A N LEU 99.A O no hydrogen 3.109 N/A TYR 108.A N SER 88.A O no hydrogen 2.901 N/A PHE 109.A N ALA 97.A O no hydrogen 3.033 N/A SER 110.A N MET 86.A O no hydrogen 2.773 N/A ASP 111.A N TYR 94.A O no hydrogen 2.916 N/A ARG 113.A N THR 84.A OG1 no hydrogen 3.066 N/A ASN 114.A N ASP 111.A O no hydrogen 3.246 N/A ASN 114.A N ASP 111.A OD1 no hydrogen 3.135 N/A GLY 116.A N ASP 111.A OD2 no hydrogen 2.755 N/A THR 117.A N THR 80.A O no hydrogen 2.950 N/A THR 117.A OG1 THR 80.A OG1 no hydrogen 2.427 N/A PHE 118.A N TYR 32.A OH no hydrogen 3.015 N/A LYS 119.A N TRP 78.A O no hydrogen 3.057 N/A LYS 119.A NZ GLU 126.A OE2 no hydrogen 2.876 N/A PHE 120.A N GLU 38.A O no hydrogen 2.991 N/A SER 121.A N TYR 76.A O no hydrogen 2.921 N/A SER 121.A OG GLU 126.A OE1 no hydrogen 2.878 N/A ASN 122.A ND2 LYS 74.A O no hydrogen 2.639 N/A SER 123.A N SER 121.A OG no hydrogen 3.009 N/A GLU 126.A N SER 123.A OG no hydrogen 2.961 N/A LEU 127.A N SER 123.A O no hydrogen 3.288 N/A LYS 128.A N GLU 124.A O no hydrogen 2.971 N/A ARG 129.A N LYS 125.A O no hydrogen 3.111 N/A LYS 130.A N GLU 126.A O no hydrogen 3.056 N/A LEU 131.A N LEU 127.A O no hydrogen 2.854 N/A ASN 132.A N LYS 128.A O no hydrogen 3.025 N/A GLU 133.A N LYS 130.A O no hydrogen 2.990 N/A LEU 134.A N LEU 131.A O no hydrogen 3.152 N/A GLY 135.A N GLN 163.A O no hydrogen 2.822 N/A PHE 138.A N SER 168.A O no hydrogen 3.081 N/A LEU 139.A N ASP 137.A OD1 no hydrogen 2.820 N/A LYS 140.A N ASP 137.A OD1 no hydrogen 3.000 N/A LYS 140.A NZ THR 56.A O no hydrogen 2.632 N/A LYS 140.A NZ THR 56.A OG1 no hydrogen 3.108 N/A ASN 141.A N ASP 137.A O no hydrogen 2.868 N/A ASP 143.A N ASN 141.A OD1 no hydrogen 3.002 N/A SER 147.A OG ASP 145.A OD1 no hydrogen 2.859 N/A SER 147.A OG ASP 145.A OD2 no hydrogen 2.798 N/A LYS 148.A NZ LYS 165.A O no hydrogen 2.783 N/A ILE 149.A N ILE 146.A O no hydrogen 2.979 N/A LYS 150.A N SER 147.A O no hydrogen 3.047 N/A LYS 151.A N LYS 148.A O no hydrogen 3.072 N/A TYR 152.A N ILE 149.A O no hydrogen 3.189 N/A ILE 156.A N LYS 188.A O no hydrogen 2.800 N/A VAL 157.A N PRO 186.A O no hydrogen 3.402 N/A LEU 159.A N PRO 155.A O no hydrogen 3.115 N/A LEU 160.A N ILE 156.A O no hydrogen 3.020 N/A MET 161.A N VAL 157.A O no hydrogen 3.119 N/A ASP 162.A N ALA 158.A O no hydrogen 3.122 N/A GLN 163.A NE2 MET 161.A O no hydrogen 2.892 N/A GLN 163.A NE2 LEU 170.A O no hydrogen 2.998 N/A LYS 164.A N ASP 162.A OD1 no hydrogen 2.810 N/A LYS 164.A NZ ASN 132.A O no hydrogen 3.000 N/A LYS 165.A N ASP 162.A OD1 no hydrogen 2.868 N/A LYS 165.A NZ ASP 162.A OD2 no hydrogen 3.176 N/A SER 168.A N PRO 136.A O no hydrogen 2.867 N/A SER 168.A OG GLY 135.A O no hydrogen 2.789 N/A GLY 169.A N GLN 163.A OE1 no hydrogen 2.756 N/A GLY 171.A N GLN 2.A OE1 no hydrogen 2.889 N/A ASN 172.A ND2 THR 277.A O no hydrogen 2.924 N/A LEU 174.A N GLN 2.A OE1 no hydrogen 3.136 N/A VAL 175.A N GLY 171.A O no hydrogen 3.115 N/A GLU 177.A N TYR 173.A O no hydrogen 3.031 N/A ILE 178.A N LEU 174.A O no hydrogen 2.848 N/A LEU 179.A N VAL 175.A O no hydrogen 2.931 N/A TYR 180.A N ALA 176.A O no hydrogen 3.077 N/A TYR 180.A OH ASP 257.A OD2 no hydrogen 2.771 N/A ARG 181.A N GLU 177.A O no hydrogen 2.997 N/A ARG 181.A NH1 GLU 244.A OE2 no hydrogen 3.362 N/A ARG 181.A NH2 GLU 244.A OE2 no hydrogen 3.141 N/A ALA 182.A N ILE 178.A O no hydrogen 2.892 N/A LYS 183.A N TYR 180.A O no hydrogen 3.020 N/A ILE 184.A N LEU 179.A O no hydrogen 2.924 N/A ASP 185.A N LYS 286.A O no hydrogen 2.994 N/A HIS 187.A N ASP 185.A OD1 no hydrogen 2.780 N/A HIS 187.A ND1 ASP 185.A OD1 no hydrogen 2.771 N/A LYS 188.A N ASP 185.A O no hydrogen 3.015 N/A LYS 188.A NZ GLU 197.A OE1 no hydrogen 2.846 N/A LYS 188.A NZ GLU 197.A OE2 no hydrogen 2.773 N/A LYS 188.A NZ LEU 287.A O no hydrogen 2.569 N/A GLY 190.A N GLN 154.A O no hydrogen 2.951 N/A SER 191.A OG TYR 152.A O no hydrogen 3.518 N/A ASN 192.A N LEU 189.A O no hydrogen 2.853 N/A LEU 193.A N GLY 190.A O no hydrogen 3.309 N/A THR 194.A N GLU 197.A OE1 no hydrogen 2.756 N/A THR 194.A OG1 GLU 197.A OE1 no hydrogen 3.354 N/A GLN 196.A NE2 ASN 200.A OD1 no hydrogen 3.388 N/A GLU 197.A N THR 194.A OG1 no hydrogen 3.034 N/A ILE 198.A N THR 194.A O no hydrogen 2.996 N/A GLU 199.A N ASP 195.A O no hydrogen 3.001 N/A ASN 200.A N GLN 196.A O no hydrogen 2.973 N/A LEU 201.A N GLU 197.A O no hydrogen 2.717 N/A TRP 202.A N ILE 198.A O no hydrogen 3.001 N/A TYR 203.A N GLU 199.A O no hydrogen 3.182 N/A TRP 204.A N ASN 200.A O no hydrogen 3.127 N/A ILE 205.A N LEU 201.A O no hydrogen 2.938 N/A LYS 206.A N TRP 202.A O no hydrogen 3.175 N/A TYR 207.A N TYR 203.A O no hydrogen 2.943 N/A TYR 207.A OH GLU 244.A OE1 no hydrogen 2.385 N/A GLU 208.A N TRP 204.A O no hydrogen 2.843 N/A THR 209.A N ILE 205.A O no hydrogen 2.981 N/A THR 209.A OG1 ILE 205.A O no hydrogen 2.800 N/A THR 209.A OG1 LYS 206.A O no hydrogen 3.235 N/A LYS 210.A N LYS 206.A O no hydrogen 3.053 N/A LYS 210.A NZ TYR 236.A O no hydrogen 3.072 N/A LYS 210.A NZ HIS 237.A O no hydrogen 2.668 N/A LYS 210.A NZ ILE 240.A O no hydrogen 2.913 N/A LEU 211.A N TYR 207.A O no hydrogen 2.958 N/A ALA 212.A N GLU 208.A O no hydrogen 2.916 N/A TYR 213.A N THR 209.A O no hydrogen 2.911 N/A TYR 213.A OH ASP 11.A OD2 no hydrogen 2.512 N/A ASP 214.A N LYS 210.A O no hydrogen 2.876 N/A SER 215.A N LEU 211.A O no hydrogen 3.067 N/A SER 215.A N ALA 212.A O no hydrogen 3.279 N/A SER 215.A OG LEU 211.A O no hydrogen 2.914 N/A ASN 216.A N GLU 246.A OE1 no hydrogen 3.447 N/A HIS 217.A N GLU 246.A OE2 no hydrogen 2.965 N/A HIS 217.A ND1 HIS 217.A O no hydrogen 2.691 N/A LEU 224.A N MET 221.A O no hydrogen 3.106 N/A GLU 225.A N VAL 222.A O no hydrogen 3.325 N/A SER 228.A N LEU 224.A O no hydrogen 2.741 N/A SER 228.A OG LEU 224.A O no hydrogen 3.192 N/A SER 229.A OG ASN 226.A O no hydrogen 2.908 N/A LYS 230.A N GLU 227.A O no hydrogen 2.875 N/A ARG 233.A NE TYR 213.A O no hydrogen 2.838 N/A ARG 233.A NH1 SER 228.A O no hydrogen 2.963 N/A ARG 233.A NH1 GLY 232.A O no hydrogen 3.230 N/A ARG 233.A NH2 SER 215.A O no hydrogen 2.760 N/A ARG 233.A NH2 ASN 216.A OD1 no hydrogen 2.773 N/A ARG 233.A NH2 SER 228.A O no hydrogen 3.344 N/A LYS 234.A N TYR 213.A OH no hydrogen 2.929 N/A TYR 236.A N LYS 234.A O no hydrogen 2.900 N/A HIS 237.A ND1 ASP 142.A OD1 no hydrogen 2.730 N/A HIS 237.A NE2 PHE 138.A O no hydrogen 2.827 N/A ILE 240.A N HIS 237.A O no hydrogen 3.101 N/A THR 243.A N TYR 207.A OH no hydrogen 3.097 N/A THR 243.A OG1 TYR 207.A OH no hydrogen 3.429 N/A THR 243.A OG1 GLU 244.A OE1 no hydrogen 3.270 N/A GLU 244.A N GLU 244.A OE1 no hydrogen 2.512 N/A PHE 247.A N SER 215.A OG no hydrogen 2.781 N/A LEU 250.A N GLU 177.A OE1 no hydrogen 2.849 N/A LEU 250.A N GLU 177.A OE2 no hydrogen 3.286 N/A VAL 251.A N GLU 177.A OE2 no hydrogen 3.052 N/A TYR 252.A N GLU 177.A OE2 no hydrogen 2.926 N/A LYS 254.A N VAL 251.A O no hydrogen 2.996 N/A ASP 257.A N ASN 261.A O no hydrogen 2.851 N/A ASN 259.A N ASP 257.A OD1 no hydrogen 2.849 N/A GLY 260.A N ASP 257.A O no hydrogen 3.010 N/A ASN 261.A N ASP 257.A OD1 no hydrogen 2.836 N/A VAL 263.A N LYS 255.A O no hydrogen 2.855 N/A ILE 264.A N TRP 280.A O no hydrogen 2.755 N/A ASP 266.A N THR 278.A O no hydrogen 2.917 N/A SER 271.A N ASN 274.A OD1 no hydrogen 2.941 N/A ASN 274.A N SER 271.A O no hydrogen 2.936 N/A ARG 276.A N ILE 269.A O no hydrogen 3.281 N/A THR 278.A N ASP 266.A O no hydrogen 2.585 N/A TRP 280.A N ILE 264.A O no hydrogen 3.103 N/A TRP 280.A NE1 ASP 266.A OD1 no hydrogen 2.960 N/A ALA 281.A N GLN 285.A OE1 no hydrogen 2.949 N/A ILE 284.A N ALA 281.A O no hydrogen 2.959 N/A GLN 285.A N ALA 281.A O no hydrogen 2.888 N/A GLN 285.A NE2 ILE 184.A O no hydrogen 2.976 N/A LYS 286.A N LYS 183.A O no hydrogen 3.339 N/A LYS 286.A NZ PRO 282.A O no hydrogen 2.696 N/A