Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 6ay2_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): PHE 6.A N TRP 207.A O no hydrogen 2.988 N/A ALA 8.A N LEU 205.A O no hydrogen 2.980 N/A ARG 9.A N ASP 7.A OD1 no hydrogen 2.970 N/A ARG 9.A NE ASP 7.A OD1 no hydrogen 2.984 N/A ARG 9.A NE ASP 7.A OD2 no hydrogen 3.369 N/A ARG 9.A NH2 ASP 7.A OD2 no hydrogen 2.864 N/A GLU 10.A N ASP 7.A O no hydrogen 3.006 N/A GLN 11.A N ASP 7.A O no hydrogen 3.106 N/A GLN 11.A NE2 GLN 11.A O no hydrogen 2.866 N/A TRP 12.A N ALA 8.A O no hydrogen 3.053 N/A CYS 15.A N TRP 12.A O no hydrogen 3.096 N/A THR 17.A OG1 ASP 41.A OD1 no hydrogen 2.664 N/A ILE 18.A N CYS 15.A O no hydrogen 3.220 N/A LYS 19.A N PRO 16.A O no hydrogen 3.042 N/A GLU 20.A N THR 17.A O no hydrogen 2.985 N/A ARG 22.A NH1 VAL 55.A O no hydrogen 3.011 N/A ARG 22.A NH2 VAL 55.A O no hydrogen 3.045 N/A GLN 24.A N SER 221.A O no hydrogen 2.877 N/A GLN 24.A NE2 CYS 27.A O no hydrogen 3.071 N/A GLY 25.A N ASP 23.A OD1 no hydrogen 2.938 N/A GLY 28.A N CYS 72.A O no hydrogen 2.873 N/A SER 29.A N CYS 27.A O no hydrogen 2.829 N/A SER 29.A OG CYS 27.A O no hydrogen 3.542 N/A SER 29.A OG TYR 104.A OH no hydrogen 2.899 N/A CYS 30.A SG HIS 200.A ND1 no hydrogen 3.712 N/A TRP 31.A NE1 GLY 71.A O no hydrogen 2.958 N/A ALA 32.A N SER 29.A O no hydrogen 2.878 N/A PHE 33.A N SER 29.A O no hydrogen 3.093 N/A GLY 34.A N CYS 30.A O no hydrogen 2.929 N/A VAL 36.A N ALA 32.A O no hydrogen 2.940 N/A GLU 37.A N PHE 33.A O no hydrogen 2.992 N/A ALA 38.A N GLY 34.A O no hydrogen 3.332 N/A ILE 39.A N ALA 35.A O no hydrogen 2.844 N/A SER 40.A N VAL 36.A O no hydrogen 2.880 N/A SER 40.A OG VAL 36.A O no hydrogen 2.626 N/A SER 40.A OG VAL 53.A O no hydrogen 3.451 N/A ASP 41.A N GLU 37.A O no hydrogen 3.130 N/A ARG 42.A N ALA 38.A O no hydrogen 2.859 N/A ARG 42.A NE PRO 170.A O no hydrogen 2.814 N/A ARG 42.A NH1 TYR 152.A OH no hydrogen 3.234 N/A ARG 42.A NH1 GLU 164.A OE2 no hydrogen 3.212 N/A ARG 42.A NH1 GLY 250.A O no hydrogen 2.945 N/A ARG 42.A NH2 GLU 164.A OE2 no hydrogen 2.744 N/A ARG 42.A NH2 GLY 169.A O no hydrogen 2.927 N/A ILE 43.A N ILE 39.A O no hydrogen 2.885 N/A CYS 44.A N SER 40.A O no hydrogen 3.290 N/A CYS 44.A SG GLN 14.A O no hydrogen 3.821 N/A ILE 45.A N ASP 41.A O no hydrogen 2.902 N/A HIS 46.A N ARG 42.A O no hydrogen 2.799 N/A THR 47.A N CYS 44.A O no hydrogen 3.372 N/A THR 47.A OG1 ILE 43.A O no hydrogen 2.962 N/A THR 47.A OG1 CYS 44.A O no hydrogen 3.335 N/A THR 47.A OG1 VAL 51.A O no hydrogen 3.311 N/A ASN 48.A N ILE 45.A O no hydrogen 3.222 N/A ALA 49.A N CYS 44.A O no hydrogen 2.809 N/A HIS 50.A N THR 47.A O no hydrogen 3.140 N/A VAL 51.A N THR 47.A OG1 no hydrogen 3.003 N/A VAL 55.A N SER 40.A OG no hydrogen 2.944 N/A SER 56.A N VAL 90.A O no hydrogen 2.880 N/A SER 56.A OG ARG 102.A O no hydrogen 2.657 N/A ASP 59.A N SER 56.A OG no hydrogen 2.957 N/A LEU 60.A N SER 56.A O no hydrogen 3.498 N/A LEU 61.A N ALA 57.A O no hydrogen 2.758 N/A THR 62.A N GLU 58.A O no hydrogen 2.842 N/A THR 62.A OG1 GLU 58.A O no hydrogen 2.766 N/A CYS 63.A N ASP 59.A O no hydrogen 3.024 N/A CYS 63.A SG ASP 59.A OD1 no hydrogen 3.727 N/A CYS 63.A SG THR 62.A OG1 no hydrogen 3.458 N/A CYS 68.A N GLY 65.A O no hydrogen 3.289 N/A GLY 69.A N GLY 65.A O no hydrogen 3.392 N/A ASP 70.A N GLY 74.A O no hydrogen 2.926 N/A CYS 72.A N THR 126.A OG1 no hydrogen 2.944 N/A CYS 72.A SG ASP 125.A O no hydrogen 3.532 N/A ASN 73.A N ASP 70.A O no hydrogen 2.879 N/A ASN 73.A ND2 GLU 123.A OE1 no hydrogen 2.706 N/A TYR 76.A N CYS 68.A O no hydrogen 2.664 N/A GLU 79.A N TYR 76.A O no hydrogen 3.124 N/A ALA 80.A N TYR 76.A O no hydrogen 3.237 N/A TRP 81.A N PRO 77.A O no hydrogen 3.236 N/A TRP 81.A NE1 GLU 172.A OE1 no hydrogen 2.958 N/A ASN 82.A N ALA 78.A O no hydrogen 3.211 N/A ASN 82.A ND2 GLU 79.A OE1 no hydrogen 2.775 N/A PHE 83.A N GLU 79.A O no hydrogen 2.890 N/A TRP 84.A N ALA 80.A O no hydrogen 3.285 N/A THR 85.A N TRP 81.A O no hydrogen 3.232 N/A THR 85.A OG1 ASN 82.A O no hydrogen 2.684 N/A THR 85.A OG1 ASN 82.A OD1 no hydrogen 3.344 N/A ARG 86.A N ASN 82.A O no hydrogen 3.050 N/A ARG 86.A N PHE 83.A O no hydrogen 3.197 N/A LYS 87.A N PHE 83.A O no hydrogen 2.856 N/A GLY 88.A N PHE 83.A O no hydrogen 3.176 N/A LEU 89.A N HIS 146.A O no hydrogen 2.825 N/A VAL 90.A N ASP 59.A OD2 no hydrogen 3.043 N/A SER 91.A N ASP 144.A OD2 no hydrogen 2.811 N/A SER 91.A OG TYR 137.A OH no hydrogen 3.166 N/A SER 91.A OG ASP 144.A OD2 no hydrogen 2.739 N/A GLY 92.A N GLU 54.A O no hydrogen 2.805 N/A GLY 93.A N VAL 99.A O no hydrogen 2.809 N/A SER 97.A N LEU 94.A O no hydrogen 3.070 N/A SER 97.A OG LEU 94.A O no hydrogen 2.622 N/A VAL 99.A N SER 97.A OG no hydrogen 3.258 N/A CYS 101.A N SER 91.A OG no hydrogen 2.981 N/A ARG 102.A N SER 91.A O no hydrogen 2.819 N/A ARG 102.A NH1 ASP 59.A OD1 no hydrogen 3.261 N/A ARG 102.A NH1 THR 62.A OG1 no hydrogen 3.053 N/A ARG 102.A NH2 THR 62.A OG1 no hydrogen 3.067 N/A ARG 102.A NH2 LYS 128.A O no hydrogen 3.285 N/A TYR 104.A N GLY 93.A O no hydrogen 3.140 N/A TYR 104.A OH GLN 24.A O no hydrogen 2.720 N/A TYR 104.A OH SER 29.A OG no hydrogen 2.899 N/A SER 105.A N GLU 58.A OE1 no hydrogen 2.977 N/A SER 105.A OG GLU 58.A OE1 no hydrogen 3.056 N/A SER 105.A OG GLU 58.A OE2 no hydrogen 2.635 N/A CYS 109.A N ASP 23.A OD2 no hydrogen 3.046 N/A CYS 109.A SG SER 26.A OG no hydrogen 3.730 N/A CYS 109.A SG HIS 111.A NE2 no hydrogen 3.631 N/A GLU 110.A N PRO 118.A O no hydrogen 2.833 N/A HIS 111.A NE2 ASP 23.A OD1 no hydrogen 2.645 N/A ARG 117.A N GLU 110.A OE2 no hydrogen 3.106 N/A ARG 117.A NH1 ASP 225.A OD2 no hydrogen 3.474 N/A ARG 117.A NH2 CYS 109.A O no hydrogen 2.994 N/A ARG 117.A NH2 ASP 225.A OD1 no hydrogen 3.010 N/A CYS 120.A N GLU 110.A O no hydrogen 3.218 N/A THR 121.A N SER 26.A OG no hydrogen 3.041 N/A GLY 124.A N SER 26.A O no hydrogen 3.298 N/A CYS 133.A SG PRO 139.A O no hydrogen 3.780 N/A GLU 134.A N CYS 101.A O no hydrogen 2.858 N/A TYR 137.A N GLU 134.A O no hydrogen 3.446 N/A TYR 137.A OH ASP 144.A OD1 no hydrogen 2.552 N/A THR 140.A N GLN 143.A OE1 no hydrogen 3.273 N/A THR 140.A OG1 GLN 143.A OE1 no hydrogen 3.026 N/A TYR 141.A OH ASP 59.A OD1 no hydrogen 2.617 N/A ASP 144.A N TYR 141.A O no hydrogen 3.193 N/A LYS 145.A N LYS 142.A O no hydrogen 3.499 N/A LYS 145.A NZ ASP 59.A OD2 no hydrogen 3.007 N/A LYS 145.A NZ LYS 87.A O no hydrogen 3.412 N/A LYS 145.A NZ GLY 88.A O no hydrogen 2.952 N/A LYS 145.A NZ TYR 141.A OH no hydrogen 3.034 N/A HIS 146.A N LEU 89.A O no hydrogen 2.814 N/A HIS 146.A ND1 ASP 255.A OD1 no hydrogen 2.841 N/A HIS 146.A ND1 ASP 255.A OD2 no hydrogen 2.996 N/A GLY 148.A N TRP 84.A O no hydrogen 3.063 N/A TYR 149.A N ILE 251.A O no hydrogen 2.751 N/A TYR 152.A N ALA 249.A O no hydrogen 2.918 N/A TYR 152.A OH GLU 164.A OE2 no hydrogen 2.545 N/A VAL 154.A N VAL 247.A O no hydrogen 3.033 N/A SER 155.A OG ASP 160.A OD2 no hydrogen 2.547 N/A ASN 156.A ND2 ASP 239.A OD2 no hydrogen 3.421 N/A SER 157.A N SER 155.A O no hydrogen 2.877 N/A LYS 159.A NZ GLU 158.A OE2 no hydrogen 3.423 N/A ASP 160.A N SER 157.A OG no hydrogen 3.111 N/A ILE 161.A N SER 157.A O no hydrogen 3.076 N/A MET 162.A N GLU 158.A O no hydrogen 2.935 N/A ALA 163.A N LYS 159.A O no hydrogen 2.879 N/A GLU 164.A N ASP 160.A O no hydrogen 2.951 N/A ILE 165.A N ILE 161.A O no hydrogen 3.050 N/A TYR 166.A N MET 162.A O no hydrogen 2.877 N/A LYS 167.A N ALA 163.A O no hydrogen 2.977 N/A ASN 168.A N GLU 164.A O no hydrogen 2.857 N/A ASN 168.A ND2 GLU 164.A OE1 no hydrogen 3.342 N/A ASN 168.A ND2 GLU 164.A OE2 no hydrogen 3.236 N/A GLY 169.A N ILE 165.A O no hydrogen 2.999 N/A VAL 171.A N ILE 204.A O no hydrogen 3.038 N/A GLU 172.A N VAL 248.A O no hydrogen 3.048 N/A GLY 173.A N ILE 202.A O no hydrogen 2.987 N/A PHE 175.A N HIS 200.A O no hydrogen 2.952 N/A SER 176.A N CYS 241.A O no hydrogen 2.803 N/A VAL 177.A N GLY 198.A O no hydrogen 2.753 N/A SER 179.A N GLU 195.A O no hydrogen 3.072 N/A PHE 181.A N TYR 178.A O no hydrogen 2.924 N/A LEU 182.A N SER 179.A O no hydrogen 3.348 N/A LEU 183.A N ASP 180.A O no hydrogen 3.236 N/A TYR 184.A N PHE 181.A O no hydrogen 2.996 N/A TYR 184.A OH GLY 187.A O no hydrogen 2.612 N/A TYR 189.A N LYS 233.A O no hydrogen 2.804 N/A TYR 189.A OH ASP 180.A OD1 no hydrogen 2.619 N/A HIS 191.A N HIS 240.A NE2 no hydrogen 3.011 N/A HIS 191.A ND1 ASP 180.A OD1 no hydrogen 3.318 N/A VAL 192.A N ASP 180.A OD2 no hydrogen 2.758 N/A THR 193.A N ASP 180.A OD2 no hydrogen 3.175 N/A MET 197.A N VAL 177.A O no hydrogen 2.712 N/A HIS 200.A N PHE 175.A O no hydrogen 2.885 N/A HIS 200.A NE2 ASN 220.A OD1 no hydrogen 2.765 N/A ILE 202.A N GLY 173.A O no hydrogen 2.849 N/A ARG 203.A N ALA 219.A O no hydrogen 3.306 N/A ARG 203.A NH1 ILE 18.A O no hydrogen 3.066 N/A ARG 203.A NH2 ILE 18.A O no hydrogen 2.983 N/A ILE 204.A N VAL 171.A O no hydrogen 2.910 N/A LEU 205.A N LEU 217.A O no hydrogen 2.930 N/A TRP 207.A N PHE 6.A O no hydrogen 2.852 N/A TRP 207.A NE1 PRO 3.A O no hydrogen 2.938 N/A GLY 208.A N TYR 215.A O no hydrogen 3.088 N/A GLU 210.A N THR 213.A O no hydrogen 2.948 N/A THR 213.A N GLU 210.A O no hydrogen 2.960 N/A TYR 215.A N GLY 208.A O no hydrogen 2.874 N/A TRP 216.A N ILE 234.A O no hydrogen 2.843 N/A TRP 216.A NE1 GLU 244.A OE2 no hydrogen 2.740 N/A LEU 217.A N GLY 206.A O no hydrogen 2.883 N/A VAL 218.A N PHE 232.A O no hydrogen 2.869 N/A ALA 219.A N ARG 203.A O no hydrogen 2.848 N/A ASN 220.A N GLY 230.A O no hydrogen 3.020 N/A SER 221.A N ASN 220.A OD1 no hydrogen 2.812 N/A SER 221.A OG GLN 24.A OE1 no hydrogen 2.602 N/A ASN 223.A N ARG 22.A O no hydrogen 3.056 N/A ASN 223.A ND2 ASP 23.A OD2 no hydrogen 2.792 N/A THR 224.A N ASN 223.A OD1 no hydrogen 2.702 N/A THR 224.A OG1 ASN 223.A OD1 no hydrogen 3.198 N/A TRP 226.A NE1 LEU 182.A O no hydrogen 3.189 N/A ASP 228.A N PHE 231.A O no hydrogen 2.924 N/A GLY 230.A N TRP 226.A O no hydrogen 2.800 N/A PHE 231.A N ASP 228.A O no hydrogen 2.995 N/A PHE 232.A N VAL 218.A O no hydrogen 2.865 N/A LYS 233.A N TYR 184.A OH no hydrogen 3.260 N/A ILE 234.A N TRP 216.A O no hydrogen 3.192 N/A LEU 235.A N TYR 189.A O no hydrogen 3.126 N/A ARG 236.A N PRO 214.A O no hydrogen 2.855 N/A ARG 236.A NE TYR 215.A O no hydrogen 2.982 N/A ARG 236.A NH1 GLU 158.A OE2 no hydrogen 2.666 N/A ARG 236.A NH2 GLY 208.A O no hydrogen 2.891 N/A GLY 237.A N GLU 244.A OE2 no hydrogen 2.848 N/A ASP 239.A N GLU 244.A OE1 no hydrogen 2.846 N/A GLY 242.A N ASP 239.A O no hydrogen 2.898 N/A ILE 243.A N HIS 240.A O no hydrogen 2.976 N/A GLU 244.A N ASP 239.A OD1 no hydrogen 2.950 N/A SER 245.A N GLY 242.A O no hydrogen 3.008 N/A SER 245.A OG GLY 242.A O no hydrogen 2.572 N/A VAL 248.A N GLU 172.A O no hydrogen 2.825 N/A ALA 249.A N TYR 152.A O no hydrogen 2.997 N/A ILE 251.A N ASN 150.A OD1 no hydrogen 2.911 N/A ARG 253.A N TYR 147.A O no hydrogen 2.923 N/A