Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3g3q_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): VAL 3.A N THR 239.A O no hydrogen 2.849 N/A GLN 5.A N LEU 237.A O no hydrogen 3.323 N/A THR 7.A N VAL 235.A O no hydrogen 2.957 N/A LYS 8.A NZ PHE 264.A O no hydrogen 2.869 N/A TYR 9.A N LEU 233.A O no hydrogen 2.714 N/A TRP 10.A N GLU 259.A O no hydrogen 2.735 N/A VAL 11.A N ALA 231.A O no hydrogen 2.951 N/A ASP 14.A N HIS 12.A ND1 no hydrogen 3.116 N/A ASN 15.A N HIS 12.A O no hydrogen 2.802 N/A ILE 16.A N PRO 13.A O no hydrogen 3.423 N/A LEU 19.A N ASN 15.A O no hydrogen 2.836 N/A LYS 20.A N ILE 16.A O no hydrogen 2.694 N/A LEU 21.A N THR 17.A O no hydrogen 3.254 N/A ILE 22.A N GLU 18.A O no hydrogen 3.142 N/A ILE 23.A N LEU 19.A O no hydrogen 3.049 N/A LEU 24.A N LYS 20.A O no hydrogen 3.088 N/A LYS 25.A N LEU 21.A O no hydrogen 2.918 N/A HIS 26.A N ILE 23.A O no hydrogen 3.008 N/A LEU 27.A N ILE 23.A O no hydrogen 2.668 N/A LEU 30.A N ALA 171.A O no hydrogen 2.799 N/A THR 34.A OG1 THR 34.A O no hydrogen 2.458 N/A LYS 36.A N ASN 35.A OD1 no hydrogen 2.679 N/A ASP 42.A N GLU 39.A O no hydrogen 3.283 N/A ALA 44.A N GLU 41.A O no hydrogen 2.906 N/A ILE 45.A N TYR 167.A O no hydrogen 3.068 N/A THR 46.A N TRP 75.A O no hydrogen 3.268 N/A SER 47.A N SER 165.A O no hydrogen 3.022 N/A ILE 48.A N LEU 73.A O no hydrogen 2.828 N/A TYR 49.A N VAL 163.A O no hydrogen 2.833 N/A PHE 50.A N HIS 71.A O no hydrogen 2.644 N/A ASP 51.A N ARG 160.A O no hydrogen 3.036 N/A ASN 52.A N ASP 51.A OD1 no hydrogen 2.760 N/A ASN 52.A ND2 ASP 56.A OD2 no hydrogen 2.860 N/A ASN 52.A ND2 LYS 157.A O no hydrogen 2.930 N/A ASN 54.A N ASN 52.A OD1 no hydrogen 3.002 N/A LEU 55.A N ASN 52.A O no hydrogen 2.854 N/A ASP 56.A N ASN 52.A OD1 no hydrogen 3.211 N/A LEU 57.A N ASP 51.A OD1 no hydrogen 2.908 N/A TYR 58.A N ASP 51.A OD2 no hydrogen 2.800 N/A TYR 58.A OH SER 281.A O no hydrogen 3.142 N/A TYR 59.A N LEU 55.A O no hydrogen 3.077 N/A GLY 60.A N ASP 56.A O no hydrogen 3.009 N/A ARG 61.A N LEU 57.A O no hydrogen 2.881 N/A ARG 61.A NH1 ALA 68.A O no hydrogen 3.235 N/A LEU 62.A N TYR 58.A O no hydrogen 2.716 N/A ARG 63.A N TYR 59.A O no hydrogen 2.860 N/A ARG 63.A NE ASP 65.A OD1 no hydrogen 3.312 N/A ARG 63.A NE ASP 65.A OD2 no hydrogen 3.319 N/A ARG 63.A NH2 ASP 65.A OD2 no hydrogen 2.873 N/A LYS 64.A N ARG 61.A O no hydrogen 3.048 N/A ASP 65.A N GLY 60.A O no hydrogen 2.925 N/A GLY 67.A N HIS 91.A O no hydrogen 2.773 N/A ALA 68.A N ASP 65.A O no hydrogen 2.837 N/A ALA 70.A N LYS 89.A O no hydrogen 2.762 N/A HIS 71.A NE2 GLU 69.A OE1 no hydrogen 2.795 N/A ARG 72.A N GLU 87.A O no hydrogen 3.094 N/A ARG 72.A NE GLU 87.A OE1 no hydrogen 2.616 N/A ARG 72.A NH1 TYR 49.A OH no hydrogen 2.755 N/A ARG 72.A NH2 GLU 87.A OE1 no hydrogen 3.171 N/A LEU 73.A N ILE 48.A O no hydrogen 2.926 N/A ARG 74.A N PHE 85.A O no hydrogen 2.859 N/A ARG 74.A NE SER 47.A OG no hydrogen 2.717 N/A ARG 74.A NH2 SER 47.A OG no hydrogen 3.247 N/A TRP 75.A N THR 46.A O no hydrogen 3.054 N/A GLY 77.A N ALA 44.A O no hydrogen 3.021 N/A THR 81.A N GLY 78.A O no hydrogen 3.216 N/A THR 81.A OG1 TYR 76.A O no hydrogen 2.983 N/A THR 81.A OG1 GLY 78.A O no hydrogen 2.905 N/A ILE 84.A N LEU 107.A O no hydrogen 2.757 N/A PHE 85.A N ARG 74.A O no hydrogen 2.845 N/A VAL 86.A N PHE 105.A O no hydrogen 2.895 N/A GLU 87.A N ARG 72.A O no hydrogen 2.893 N/A ARG 88.A N ALA 103.A O no hydrogen 2.911 N/A ARG 88.A NH1 GLU 149.A OE2 no hydrogen 2.802 N/A ARG 88.A NH2 GLU 149.A OE2 no hydrogen 3.302 N/A LYS 89.A N ALA 70.A O no hydrogen 2.891 N/A THR 90.A N VAL 101.A O no hydrogen 2.866 N/A HIS 91.A N ALA 68.A O no hydrogen 3.008 N/A HIS 91.A ND1 SER 100.A OG no hydrogen 3.155 N/A ARG 92.A N SER 100.A OG no hydrogen 3.084 N/A ARG 92.A NH1 GLU 66.A OE2 no hydrogen 2.614 N/A GLU 93.A N GLU 66.A OE1 no hydrogen 2.864 N/A THR 96.A N GLU 93.A O no hydrogen 3.190 N/A THR 96.A OG1 GLU 93.A O no hydrogen 2.696 N/A GLY 97.A N ASP 94.A O no hydrogen 2.963 N/A GLU 98.A N THR 96.A OG1 no hydrogen 3.043 N/A SER 100.A OG HIS 91.A ND1 no hydrogen 3.155 N/A VAL 101.A N THR 90.A O no hydrogen 3.000 N/A ALA 103.A N ARG 88.A O no hydrogen 3.193 N/A ARG 104.A NE GLU 87.A OE2 no hydrogen 3.180 N/A ARG 104.A NH1 GLU 87.A OE2 no hydrogen 3.179 N/A PHE 105.A N VAL 86.A O no hydrogen 3.213 N/A LEU 107.A N ILE 84.A O no hydrogen 2.757 N/A GLU 109.A N ASP 82.A O no hydrogen 3.092 N/A HIS 111.A N LYS 108.A O no hydrogen 2.929 N/A VAL 112.A N GLU 109.A O no hydrogen 3.344 N/A PHE 115.A N HIS 111.A O no hydrogen 2.964 N/A PHE 115.A N VAL 112.A O no hydrogen 2.983 N/A LEU 116.A N VAL 112.A O no hydrogen 3.099 N/A LYS 117.A N ASN 113.A O no hydrogen 3.198 N/A LYS 117.A NZ LEU 116.A O no hydrogen 3.226 N/A GLY 118.A N PHE 115.A O no hydrogen 3.257 N/A TYR 120.A N ASP 114.A O no hydrogen 2.858 N/A THR 121.A N GLN 124.A OE1 no hydrogen 2.690 N/A THR 121.A OG1 GLN 124.A OE1 no hydrogen 2.793 N/A GLN 124.A N THR 121.A OG1 no hydrogen 3.348 N/A VAL 125.A N THR 121.A O no hydrogen 3.154 N/A PHE 126.A N VAL 122.A O no hydrogen 3.334 N/A ALA 127.A N GLN 124.A O no hydrogen 3.327 N/A MET 129.A N PHE 126.A O no hydrogen 2.804 N/A ARG 130.A N PHE 126.A O no hydrogen 2.707 N/A ARG 130.A NH1 GLU 144.A OE2 no hydrogen 2.798 N/A LYS 131.A N ALA 127.A O no hydrogen 3.124 N/A GLU 132.A N MET 129.A O no hydrogen 3.022 N/A GLU 139.A N PRO 136.A O no hydrogen 3.223 N/A ILE 140.A N PRO 136.A O no hydrogen 3.125 N/A ILE 140.A N MET 137.A O no hydrogen 2.823 N/A GLU 141.A N MET 137.A O no hydrogen 3.081 N/A ASN 142.A N ASN 138.A O no hydrogen 3.358 N/A LEU 143.A N GLU 139.A O no hydrogen 3.461 N/A GLU 144.A N ILE 140.A O no hydrogen 2.880 N/A ALA 145.A N GLU 141.A O no hydrogen 2.708 N/A LEU 146.A N ASN 142.A O no hydrogen 2.826 N/A ALA 147.A N LEU 143.A O no hydrogen 2.921 N/A SER 148.A N GLU 144.A O no hydrogen 2.833 N/A SER 148.A OG GLU 144.A O no hydrogen 3.051 N/A GLU 149.A N ALA 145.A O no hydrogen 2.821 N/A ILE 150.A N LEU 146.A O no hydrogen 3.003 N/A GLN 151.A N ALA 147.A O no hydrogen 3.060 N/A GLN 151.A NE2 PHE 115.A O no hydrogen 2.789 N/A GLN 151.A NE2 TYR 120.A O no hydrogen 2.924 N/A TYR 152.A N SER 148.A O no hydrogen 2.794 N/A VAL 153.A N GLU 149.A O no hydrogen 3.269 N/A MET 154.A N ILE 150.A O no hydrogen 2.833 N/A LEU 155.A N TYR 152.A O no hydrogen 2.867 N/A LYS 156.A N TYR 152.A O no hydrogen 2.862 N/A LYS 156.A NZ TYR 152.A OH no hydrogen 3.059 N/A LYS 157.A N VAL 153.A O no hydrogen 3.023 N/A LYS 158.A N LEU 155.A O no hydrogen 3.118 N/A LEU 159.A N MET 154.A O no hydrogen 3.090 N/A ARG 160.A N ASP 51.A O no hydrogen 3.042 N/A ARG 160.A NE PRO 161.A O no hydrogen 3.163 N/A ARG 160.A NH2 GLU 193.A O no hydrogen 3.282 N/A VAL 162.A N TYR 49.A O no hydrogen 2.981 N/A VAL 163.A N TYR 49.A O no hydrogen 3.351 N/A ARG 164.A N VAL 191.A O no hydrogen 2.815 N/A ARG 164.A NH1 GLU 193.A OE1 no hydrogen 3.509 N/A SER 165.A N SER 47.A O no hydrogen 2.850 N/A PHE 166.A N THR 189.A O no hydrogen 2.870 N/A TYR 167.A N ILE 45.A O no hydrogen 3.309 N/A ASN 168.A N THR 186.A O no hydrogen 2.947 N/A ARG 169.A N SER 43.A O no hydrogen 2.960 N/A ARG 169.A NE ASP 185.A OD2 no hydrogen 2.709 N/A ARG 169.A NH2 ASP 185.A OD1 no hydrogen 3.001 N/A ARG 169.A NH2 ASP 185.A OD2 no hydrogen 3.422 N/A THR 170.A N LEU 184.A O no hydrogen 2.967 N/A PHE 172.A N ILE 182.A O no hydrogen 2.770 N/A GLN 173.A N PRO 28.A O no hydrogen 2.963 N/A GLN 173.A NE2 ASP 177.A O no hydrogen 3.015 N/A ASP 177.A N LEU 174.A O no hydrogen 3.045 N/A ARG 179.A N ASP 177.A OD1 no hydrogen 3.236 N/A ARG 181.A N LYS 236.A O no hydrogen 2.867 N/A ILE 182.A N PHE 172.A O no hydrogen 3.120 N/A SER 183.A N GLU 234.A O no hydrogen 3.156 N/A LEU 184.A N THR 170.A O no hydrogen 2.735 N/A ASP 185.A N VAL 232.A O no hydrogen 2.845 N/A THR 186.A N ASN 168.A O no hydrogen 2.789 N/A THR 186.A OG1 ASN 168.A O no hydrogen 3.317 N/A THR 186.A OG1 GLU 187.A OE2 no hydrogen 2.667 N/A THR 189.A N PHE 166.A O no hydrogen 2.737 N/A THR 189.A OG1 GLU 187.A O no hydrogen 3.483 N/A MET 190.A N CYS 226.A O no hydrogen 3.192 N/A VAL 191.A N ARG 164.A O no hydrogen 3.152 N/A ARG 192.A N ASP 224.A O no hydrogen 2.766 N/A ARG 192.A NE ASP 194.A OD1 no hydrogen 3.066 N/A ARG 192.A NH2 ASP 194.A OD1 no hydrogen 3.440 N/A ARG 192.A NH2 ASP 194.A OD2 no hydrogen 2.947 N/A GLU 193.A N VAL 162.A O no hydrogen 2.799 N/A PHE 196.A N ASP 194.A OD2 no hydrogen 2.985 N/A GLY 198.A N ASN 195.A O no hydrogen 3.202 N/A ARG 201.A NE ASP 224.A OD1 no hydrogen 3.400 N/A ARG 201.A NE ASP 224.A OD2 no hydrogen 3.106 N/A ARG 201.A NH1 ASP 194.A O no hydrogen 3.121 N/A ARG 201.A NH2 ASP 197.A OD2 no hydrogen 2.916 N/A ARG 201.A NH2 ASP 224.A OD1 no hydrogen 3.201 N/A THR 202.A OG1 ASP 200.A OD2 no hydrogen 3.482 N/A HIS 203.A N ASP 200.A O no hydrogen 3.241 N/A ASN 205.A ND2 THR 202.A O no hydrogen 2.613 N/A ASN 205.A ND2 ARG 207.A O no hydrogen 2.702 N/A TRP 206.A N ASN 113.A OD1 no hydrogen 2.939 N/A TRP 206.A NE1 GLU 109.A OE2 no hydrogen 2.939 N/A ARG 208.A N GLU 193.A OE2 no hydrogen 2.591 N/A ARG 208.A NE ASP 210.A OD1 no hydrogen 3.085 N/A ARG 208.A NH1 ARG 192.A O no hydrogen 3.545 N/A ARG 208.A NH1 ASP 224.A OD2 no hydrogen 3.301 N/A ARG 208.A NH2 ASP 210.A OD1 no hydrogen 3.561 N/A GLY 212.A N ASP 214.A OD1 no hydrogen 3.008 N/A TRP 215.A N VAL 213.A O no hydrogen 2.815 N/A PHE 217.A N ASP 214.A O no hydrogen 2.684 N/A GLN 219.A N GLN 219.A OE1 no hydrogen 2.694 N/A GLN 219.A NE2 ASP 210.A O no hydrogen 3.023 N/A GLN 219.A NE2 ASP 214.A OD2 no hydrogen 2.760 N/A ASP 224.A N ASP 221.A O no hydrogen 2.791 N/A ILE 225.A N ASP 222.A O no hydrogen 3.460 N/A CYS 226.A N MET 190.A O no hydrogen 2.771 N/A CYS 226.A SG HIS 269.A NE2 no hydrogen 3.995 N/A ARG 227.A NH1 PRO 216.A O no hydrogen 2.867 N/A PHE 228.A N LEU 188.A O no hydrogen 2.935 N/A ALA 231.A N VAL 11.A O no hydrogen 2.958 N/A VAL 232.A N ASP 185.A O no hydrogen 2.814 N/A LEU 233.A N TYR 9.A O no hydrogen 2.966 N/A GLU 234.A N SER 183.A O no hydrogen 3.071 N/A VAL 235.A N THR 7.A O no hydrogen 2.919 N/A LYS 236.A N ARG 181.A O no hydrogen 2.838 N/A LEU 237.A N GLN 5.A O no hydrogen 2.771 N/A GLN 238.A N ARG 179.A O no hydrogen 3.056 N/A THR 239.A N VAL 3.A O no hydrogen 2.925 N/A GLN 243.A N GLN 240.A O no hydrogen 2.810 N/A VAL 249.A N PRO 246.A O no hydrogen 2.908 N/A ARG 250.A N PRO 246.A O no hydrogen 3.393 N/A GLU 251.A N GLU 247.A O no hydrogen 2.957 N/A LEU 252.A N TRP 248.A O no hydrogen 2.778 N/A VAL 253.A N VAL 249.A O no hydrogen 2.789 N/A GLY 254.A N ARG 250.A O no hydrogen 3.113 N/A SER 255.A N LEU 252.A O no hydrogen 3.104 N/A SER 255.A OG LEU 252.A O no hydrogen 2.744 N/A LEU 257.A N SER 255.A OG no hydrogen 3.230 N/A VAL 261.A N LYS 8.A O no hydrogen 2.766 N/A PHE 264.A N VAL 261.A O no hydrogen 3.219 N/A LYS 266.A NZ ASP 185.A OD1 no hydrogen 3.083 N/A ILE 268.A N SER 265.A OG no hydrogen 3.328 N/A HIS 269.A N SER 265.A O no hydrogen 2.916 N/A GLY 270.A N LYS 266.A O no hydrogen 2.997 N/A VAL 271.A N PHE 267.A O no hydrogen 3.112 N/A ALA 272.A N ILE 268.A O no hydrogen 2.945 N/A THR 273.A N HIS 269.A O no hydrogen 2.902 N/A THR 273.A OG1 HIS 269.A O no hydrogen 2.859 N/A LEU 274.A N GLY 270.A O no hydrogen 2.947 N/A LEU 275.A N VAL 271.A O no hydrogen 2.932 N/A ASN 276.A N THR 273.A O no hydrogen 3.254 N/A LYS 278.A NZ GLU 53.A O no hydrogen 2.961 N/A LYS 278.A NZ GLU 53.A OE1 no hydrogen 3.427 N/A VAL 279.A N ASN 276.A O no hydrogen 3.327 N/A ASP 280.A N TYR 59.A OH no hydrogen 3.232 N/A SER 281.A OG ASP 280.A OD1 no hydrogen 3.190 N/A TRP 285.A NE1 HIS 269.A ND1 no hydrogen 3.021 N/A LEU 286.A N PHE 284.A O no hydrogen 2.963 N/A