Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4aua_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): GLN 2.A NE2 GLN 2.A O no hydrogen 2.484 N/A GLN 2.A NE2 ASP 21.A OD1 no hydrogen 3.501 N/A GLU 4.A N ARG 20.A O no hydrogen 3.027 N/A VAL 6.A N LYS 18.A O no hydrogen 2.966 N/A ALA 7.A N LYS 18.A O no hydrogen 3.366 N/A ILE 9.A N VAL 16.A O no hydrogen 3.039 N/A GLY 12.A N GLY 14.A O no hydrogen 2.578 N/A LYS 15.A NZ GLU 8.A OE1 no hydrogen 2.734 N/A VAL 16.A N GLY 10.A O no hydrogen 2.524 N/A PHE 17.A N LEU 31.A O no hydrogen 2.916 N/A LYS 18.A N ALA 7.A O no hydrogen 3.128 N/A ALA 19.A N VAL 29.A O no hydrogen 3.005 N/A ARG 20.A N GLU 4.A O no hydrogen 2.825 N/A ARG 20.A NE GLY 26.A O no hydrogen 2.925 N/A ARG 20.A NH2 GLY 26.A O no hydrogen 3.265 N/A ASP 21.A N ARG 27.A O no hydrogen 2.677 N/A LEU 22.A N GLN 2.A O no hydrogen 3.312 N/A ASN 24.A N ASP 21.A OD1 no hydrogen 3.205 N/A ARG 27.A N ASN 24.A O no hydrogen 3.396 N/A ARG 27.A NE ASP 21.A OD2 no hydrogen 3.139 N/A ARG 27.A NH2 ASP 21.A OD2 no hydrogen 3.237 N/A VAL 29.A N ALA 19.A O no hydrogen 2.766 N/A ALA 30.A N PHE 67.A O no hydrogen 2.933 N/A LEU 31.A N PHE 17.A O no hydrogen 2.700 N/A LYS 32.A N LEU 65.A O no hydrogen 2.888 N/A LYS 32.A NZ ASP 132.A OD1 no hydrogen 3.485 N/A GLU 38.A N SER 34.A O no hydrogen 2.990 N/A VAL 39.A N THR 35.A O no hydrogen 2.817 N/A ALA 40.A N ILE 36.A O no hydrogen 3.011 N/A VAL 41.A N ARG 37.A O no hydrogen 2.804 N/A LEU 42.A N GLU 38.A O no hydrogen 3.016 N/A ARG 43.A N VAL 39.A O no hydrogen 2.915 N/A HIS 44.A N ALA 40.A O no hydrogen 2.884 N/A LEU 45.A N VAL 41.A O no hydrogen 2.955 N/A GLU 46.A N LEU 42.A O no hydrogen 3.041 N/A THR 47.A N ARG 43.A O no hydrogen 3.265 N/A THR 47.A N HIS 44.A O no hydrogen 3.207 N/A THR 47.A OG1 HIS 44.A O no hydrogen 2.669 N/A PHE 48.A N LEU 45.A O no hydrogen 3.097 N/A GLU 49.A N GLU 46.A O no hydrogen 2.716 N/A ASN 52.A N HIS 50.A ND1 no hydrogen 3.023 N/A ASN 52.A ND2 GLN 97.A OE1 no hydrogen 2.949 N/A ASN 52.A ND2 ILE 128.A O no hydrogen 2.749 N/A VAL 53.A N HIS 50.A O no hydrogen 3.391 N/A VAL 54.A N LEU 130.A O no hydrogen 2.919 N/A ARG 55.A N GLU 68.A OE1 no hydrogen 2.924 N/A ARG 55.A NE GLU 46.A OE1 no hydrogen 3.398 N/A ARG 55.A NH1 HIS 50.A O no hydrogen 2.799 N/A ARG 55.A NH2 HIS 50.A O no hydrogen 2.835 N/A LEU 56.A N GLU 46.A OE1 no hydrogen 2.871 N/A PHE 57.A N VAL 66.A O no hydrogen 2.734 N/A ASP 58.A N VAL 66.A O no hydrogen 3.195 N/A CYS 60.A N THR 64.A O no hydrogen 2.849 N/A CYS 60.A SG ASP 58.A OD2 no hydrogen 3.611 N/A THR 64.A N CYS 60.A O no hydrogen 3.035 N/A LEU 65.A N LYS 32.A O no hydrogen 2.769 N/A VAL 66.A N ASP 58.A O no hydrogen 2.794 N/A PHE 67.A N ALA 30.A O no hydrogen 2.929 N/A GLU 68.A N ARG 55.A O no hydrogen 2.853 N/A ASP 73.A N THR 76.A OG1 no hydrogen 3.272 N/A LEU 74.A N PRO 117.A O no hydrogen 2.970 N/A LEU 74.A N ILE 120.A O no hydrogen 2.851 N/A THR 75.A OG1 GLN 118.A OE1 no hydrogen 2.625 N/A THR 76.A N ASP 73.A OD1 no hydrogen 2.838 N/A THR 76.A OG1 ASP 73.A O no hydrogen 2.925 N/A THR 76.A OG1 ASP 73.A OD1 no hydrogen 2.824 N/A TYR 77.A N ASP 73.A O no hydrogen 3.150 N/A LEU 78.A N LEU 74.A O no hydrogen 2.882 N/A ASP 79.A N THR 75.A O no hydrogen 2.935 N/A LYS 80.A N THR 76.A O no hydrogen 3.137 N/A VAL 81.A N TYR 77.A O no hydrogen 3.056 N/A GLY 85.A N PRO 82.A O no hydrogen 2.844 N/A ILE 91.A N PRO 87.A O no hydrogen 2.929 N/A LYS 92.A N THR 88.A O no hydrogen 3.150 N/A LYS 92.A NZ GLU 89.A OE1 no hydrogen 3.254 N/A LYS 92.A NZ GLU 89.A OE2 no hydrogen 2.718 N/A ASP 93.A N GLU 89.A O no hydrogen 2.906 N/A MET 94.A N THR 90.A O no hydrogen 2.874 N/A MET 95.A N ILE 91.A O no hydrogen 2.989 N/A PHE 96.A N LYS 92.A O no hydrogen 3.209 N/A GLN 97.A N ASP 93.A O no hydrogen 3.157 N/A GLN 97.A NE2 ASP 93.A OD2 no hydrogen 3.065 N/A GLN 97.A NE2 GLY 126.A O no hydrogen 3.255 N/A LEU 98.A N MET 94.A O no hydrogen 3.067 N/A LEU 99.A N MET 95.A O no hydrogen 2.951 N/A ARG 100.A N PHE 96.A O no hydrogen 2.755 N/A GLY 101.A N GLN 97.A O no hydrogen 2.890 N/A LEU 102.A N LEU 98.A O no hydrogen 3.058 N/A ASP 103.A N LEU 99.A O no hydrogen 2.886 N/A PHE 104.A N ARG 100.A O no hydrogen 3.008 N/A LEU 105.A N GLY 101.A O no hydrogen 3.111 N/A HIS 106.A N LEU 102.A O no hydrogen 2.677 N/A HIS 106.A NE2 ASP 156.A OD2 no hydrogen 2.981 N/A SER 107.A N ASP 103.A O no hydrogen 2.673 N/A SER 107.A OG ASP 103.A O no hydrogen 2.620 N/A SER 107.A OG PHE 104.A O no hydrogen 2.797 N/A HIS 108.A N PHE 104.A O no hydrogen 3.218 N/A HIS 108.A N LEU 105.A O no hydrogen 3.066 N/A ARG 109.A N HIS 106.A O no hydrogen 3.117 N/A VAL 110.A N LEU 105.A O no hydrogen 2.984 N/A HIS 112.A N ASP 156.A OD2 no hydrogen 2.722 N/A HIS 112.A NE2 ALA 131.A O no hydrogen 2.991 N/A ARG 113.A N ASP 156.A OD1 no hydrogen 2.731 N/A ARG 113.A NH1 TYR 151.A O no hydrogen 2.776 N/A ARG 113.A NH2 TYR 151.A O no hydrogen 3.108 N/A ASP 114.A N HIS 112.A ND1 no hydrogen 3.125 N/A LYS 116.A N ASN 119.A OD1 no hydrogen 3.257 N/A LYS 116.A NZ ASP 114.A OD2 no hydrogen 3.290 N/A ASN 119.A N LYS 116.A O no hydrogen 3.064 N/A ASN 119.A ND2 ASP 114.A O no hydrogen 2.845 N/A ILE 120.A N PRO 117.A O no hydrogen 3.403 N/A LEU 121.A N LYS 129.A O no hydrogen 2.690 N/A VAL 122.A N GLN 72.A O no hydrogen 2.976 N/A THR 123.A N GLN 127.A O no hydrogen 2.831 N/A GLY 126.A N THR 123.A O no hydrogen 2.656 N/A GLN 127.A NE2 PRO 51.A O no hydrogen 3.438 N/A ILE 128.A N GLN 97.A OE1 no hydrogen 2.564 N/A LYS 129.A N LEU 121.A O no hydrogen 2.837 N/A LYS 129.A NZ PRO 51.A O no hydrogen 3.278 N/A LYS 129.A NZ VAL 53.A O no hydrogen 3.526 N/A LYS 129.A NZ GLU 68.A OE1 no hydrogen 3.485 N/A LEU 130.A N ASN 52.A O no hydrogen 3.081 N/A ALA 131.A N ASN 119.A O no hydrogen 3.023 N/A TYR 140.A OH GLU 166.A OE1 no hydrogen 2.415 N/A TYR 140.A OH GLU 166.A OE2 no hydrogen 3.199 N/A ARG 141.A N LEU 138.A O no hydrogen 3.110 N/A ARG 141.A NH1 ASP 114.A OD1 no hydrogen 3.055 N/A GLU 144.A N GLU 144.A OE1 no hydrogen 2.532 N/A VAL 145.A N ALA 142.A O no hydrogen 3.160 N/A LEU 146.A N ALA 142.A O no hydrogen 3.101 N/A LEU 147.A N PRO 143.A O no hydrogen 2.816 N/A GLN 148.A N VAL 145.A O no hydrogen 2.999 N/A SER 149.A N GLU 144.A O no hydrogen 2.835 N/A SER 149.A OG SER 150.A OG no hydrogen 3.421 N/A SER 150.A N GLU 144.A O no hydrogen 3.256 N/A SER 150.A OG SER 149.A OG no hydrogen 3.421 N/A VAL 155.A N ALA 152.A O no hydrogen 3.248 N/A ASP 156.A N THR 153.A O no hydrogen 3.024 N/A LEU 157.A N PRO 154.A O no hydrogen 2.843 N/A TRP 158.A N PRO 154.A O no hydrogen 3.135 N/A SER 159.A OG TYR 140.A O no hydrogen 2.600 N/A SER 159.A OG VAL 155.A O no hydrogen 3.452 N/A VAL 160.A N ASP 156.A O no hydrogen 2.895 N/A GLY 161.A N LEU 157.A O no hydrogen 2.974 N/A CYS 162.A N TRP 158.A O no hydrogen 3.201 N/A CYS 162.A SG TRP 139.A O no hydrogen 4.024 N/A CYS 162.A SG TRP 158.A O no hydrogen 3.433 N/A ILE 163.A N SER 159.A O no hydrogen 3.060 N/A PHE 164.A N VAL 160.A O no hydrogen 2.798 N/A ALA 165.A N GLY 161.A O no hydrogen 2.977 N/A GLU 166.A N CYS 162.A O no hydrogen 3.174 N/A MET 167.A N ILE 163.A O no hydrogen 2.865 N/A MET 167.A N PHE 164.A O no hydrogen 3.060 N/A PHE 168.A N PHE 164.A O no hydrogen 3.448 N/A ARG 169.A N ALA 165.A O no hydrogen 2.820 N/A ARG 169.A NE LYS 171.A O no hydrogen 3.056 N/A ARG 169.A NH1 PHE 220.A O no hydrogen 2.931 N/A ARG 169.A NH2 PRO 172.A O no hydrogen 2.657 N/A ARG 170.A N GLU 166.A O no hydrogen 2.787 N/A ARG 170.A NH1 GLU 83.A OE1 no hydrogen 3.411 N/A ARG 170.A NH1 GLU 83.A OE2 no hydrogen 3.077 N/A ARG 170.A NH2 GLU 83.A OE1 no hydrogen 2.690 N/A SER 177.A N ASP 181.A OD2 no hydrogen 3.060 N/A SER 177.A OG ASP 181.A OD2 no hydrogen 2.786 N/A VAL 180.A N ASP 179.A OD1 no hydrogen 2.818 N/A ASP 181.A N SER 178.A OG no hydrogen 2.826 N/A GLN 182.A N SER 178.A O no hydrogen 2.669 N/A LEU 183.A N ASP 179.A O no hydrogen 2.857 N/A GLY 184.A N VAL 180.A O no hydrogen 2.932 N/A LYS 185.A N ASP 181.A O no hydrogen 2.696 N/A LYS 185.A NZ ASP 181.A OD1 no hydrogen 2.698 N/A LYS 185.A NZ ASP 181.A OD2 no hydrogen 3.141 N/A ILE 186.A N GLN 182.A O no hydrogen 2.967 N/A LEU 187.A N LEU 183.A O no hydrogen 3.063 N/A ASP 188.A N GLY 184.A O no hydrogen 3.029 N/A VAL 189.A N ILE 186.A O no hydrogen 3.079 N/A ILE 190.A N ILE 186.A O no hydrogen 2.990 N/A GLY 191.A N LEU 187.A O no hydrogen 2.708 N/A GLU 196.A N GLU 196.A OE1 no hydrogen 3.083 N/A ASP 197.A N GLY 194.A O no hydrogen 3.166 N/A TRP 198.A N GLU 195.A O no hydrogen 3.422 N/A TRP 198.A NE1 LEU 204.A O no hydrogen 2.769 N/A ARG 200.A NH1 GLU 196.A O no hydrogen 3.095 N/A ARG 200.A NH2 GLU 196.A O no hydrogen 3.225 N/A ARG 206.A NE PRO 193.A O no hydrogen 2.680 N/A ARG 206.A NH2 PRO 193.A O no hydrogen 3.206 N/A GLN 207.A NE2 GLU 195.A OE2 no hydrogen 3.357 N/A ALA 208.A N PRO 205.A O no hydrogen 3.093 N/A PHE 209.A N ARG 206.A O no hydrogen 3.231 N/A SER 211.A OG ASP 188.A OD1 no hydrogen 2.996 N/A LYS 212.A N HIS 210.A O no hydrogen 2.595 N/A GLN 215.A N VAL 189.A O no hydrogen 3.158 N/A GLU 218.A N GLU 218.A OE1 no hydrogen 2.841 N/A LYS 219.A N PRO 216.A O no hydrogen 3.157 N/A PHE 220.A N ILE 217.A O no hydrogen 2.867 N/A VAL 221.A N ILE 217.A O no hydrogen 2.836 N/A ILE 224.A N VAL 221.A O no hydrogen 3.418 N/A GLY 228.A N ASP 225.A OD2 no hydrogen 3.237 N/A LYS 229.A N ASP 225.A O no hydrogen 3.201 N/A ASP 230.A N GLU 226.A O no hydrogen 3.082 N/A LEU 231.A N LEU 227.A O no hydrogen 2.913 N/A LEU 232.A N GLY 228.A O no hydrogen 2.654 N/A LEU 233.A N LYS 229.A O no hydrogen 2.938 N/A LYS 234.A N ASP 230.A O no hydrogen 3.020 N/A LYS 234.A NZ ASP 230.A OD1 no hydrogen 3.444 N/A LYS 234.A NZ ASP 230.A OD2 no hydrogen 2.839 N/A CYS 235.A N LEU 231.A O no hydrogen 2.967 N/A CYS 235.A SG LEU 231.A O no hydrogen 3.577 N/A LEU 236.A N LEU 232.A O no hydrogen 2.918 N/A THR 237.A OG1 LEU 233.A O no hydrogen 3.102 N/A THR 237.A OG1 LYS 234.A O no hydrogen 3.306 N/A ASN 239.A ND2 ASP 197.A OD1 no hydrogen 2.666 N/A ALA 241.A N ASN 239.A OD1 no hydrogen 2.956 N/A LYS 242.A N ASN 239.A O no hydrogen 2.811 N/A LYS 242.A NZ ASP 197.A OD1 no hydrogen 2.737 N/A LYS 242.A NZ ASP 197.A OD2 no hydrogen 2.930 N/A ARG 243.A N ASN 239.A O no hydrogen 3.155 N/A ARG 243.A NE THR 237.A O no hydrogen 3.105 N/A ARG 243.A NH1 GLU 144.A OE2 no hydrogen 2.650 N/A ARG 243.A NH1 PRO 154.A O no hydrogen 2.902 N/A ARG 243.A NH2 GLU 144.A OE1 no hydrogen 2.863 N/A ARG 243.A NH2 GLU 144.A OE2 no hydrogen 3.310 N/A ARG 243.A NH2 THR 237.A O no hydrogen 3.241 N/A ARG 243.A NH2 PHE 238.A O no hydrogen 3.330 N/A ILE 244.A N LYS 234.A O no hydrogen 3.197 N/A SER 245.A OG SER 248.A OG no hydrogen 3.021 N/A SER 248.A N SER 245.A OG no hydrogen 2.887 N/A SER 248.A OG SER 245.A OG no hydrogen 3.021 N/A ALA 249.A N SER 245.A O no hydrogen 2.786 N/A LEU 250.A N ALA 246.A O no hydrogen 3.049 N/A SER 251.A N SER 248.A O no hydrogen 2.881 N/A HIS 252.A N ALA 249.A O no hydrogen 2.959 N/A HIS 252.A NE2 ASP 230.A OD2 no hydrogen 2.380 N/A TYR 254.A N HIS 252.A ND1 no hydrogen 3.168 N/A PHE 255.A N HIS 252.A O no hydrogen 3.078 N/A GLN 256.A N PRO 253.A O no hydrogen 2.785 N/A GLN 256.A NE2 PRO 253.A O no hydrogen 3.365 N/A