Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4nqe_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ARG 2.A NH1 LEU 177.A O no hydrogen 3.340 N/A ARG 2.A NH1 ARG 179.A O no hydrogen 2.801 N/A ARG 2.A NH2 ARG 179.A O no hydrogen 3.500 N/A ARG 2.A NH2 SER 256.A OG no hydrogen 2.831 N/A HIS 4.A N LEU 101.A O no hydrogen 3.089 N/A HIS 4.A ND1 ASP 30.A OD2 no hydrogen 2.713 N/A SER 5.A N ASP 30.A OD1 no hydrogen 2.768 N/A LEU 6.A N CYS 99.A O no hydrogen 2.863 N/A ARG 7.A N TYR 28.A O no hydrogen 2.988 N/A ARG 7.A NH1 ASP 30.A O no hydrogen 2.875 N/A ARG 7.A NH2 ASP 30.A O no hydrogen 2.937 N/A TYR 8.A N ILE 97.A O no hydrogen 2.737 N/A PHE 9.A N VAL 26.A O no hydrogen 2.839 N/A ARG 10.A N ARG 95.A O no hydrogen 2.863 N/A LEU 11.A N ILE 24.A O no hydrogen 2.640 N/A GLY 12.A N TYR 93.A O no hydrogen 2.817 N/A VAL 13.A N GLU 22.A O no hydrogen 2.878 N/A SER 14.A N HIS 91.A O no hydrogen 3.128 N/A SER 14.A OG GLN 82.A OE1 no hydrogen 2.687 N/A SER 14.A OG GLY 89.A O no hydrogen 3.254 N/A SER 14.A OG HIS 91.A O no hydrogen 3.468 N/A VAL 20.A N ILE 17.A O no hydrogen 3.175 N/A PHE 23.A N SER 39.A OG no hydrogen 3.092 N/A ILE 24.A N LEU 11.A O no hydrogen 2.896 N/A SER 25.A N TYR 37.A O no hydrogen 2.894 N/A SER 25.A OG PHE 9.A O no hydrogen 2.886 N/A VAL 26.A N PHE 9.A O no hydrogen 3.109 N/A GLY 27.A N THR 35.A O no hydrogen 3.002 N/A TYR 28.A N ARG 7.A O no hydrogen 2.816 N/A VAL 29.A N HIS 32.A O no hydrogen 2.979 N/A ASP 30.A N SER 5.A O no hydrogen 2.923 N/A SER 31.A OG TYR 239.A OH no hydrogen 3.052 N/A HIS 32.A N VAL 29.A O no hydrogen 2.925 N/A HIS 32.A NE2 TYR 207.A OH no hydrogen 2.797 N/A ILE 34.A N GLY 27.A O no hydrogen 2.756 N/A THR 36.A N GLU 45.A O no hydrogen 2.959 N/A TYR 37.A N SER 25.A O no hydrogen 3.020 N/A TYR 37.A OH GLN 71.A OE1 no hydrogen 2.688 N/A SER 39.A N PHE 23.A O no hydrogen 2.889 N/A SER 39.A OG PHE 23.A O no hydrogen 3.446 N/A VAL 40.A N ASP 38.A OD2 no hydrogen 2.987 N/A THR 41.A N ASP 38.A OD2 no hydrogen 2.740 N/A THR 41.A OG1 ASP 38.A O no hydrogen 3.356 N/A THR 41.A OG1 ASP 38.A OD2 no hydrogen 3.382 N/A THR 41.A OG1 GLN 43.A O no hydrogen 3.460 N/A ARG 42.A N ASP 38.A O no hydrogen 2.816 N/A GLN 43.A N THR 41.A OG1 no hydrogen 3.310 N/A LYS 44.A N THR 64.A OG1 no hydrogen 2.926 N/A LYS 44.A NZ HIS 59.A NE2 no hydrogen 3.056 N/A GLU 45.A N THR 36.A O no hydrogen 2.881 N/A ARG 47.A N ILE 34.A O no hydrogen 2.730 N/A MET 51.A N ALA 48.A O no hydrogen 3.070 N/A ALA 52.A N ALA 48.A O no hydrogen 3.404 N/A GLU 53.A N PRO 49.A O no hydrogen 3.262 N/A ASN 54.A ND2 TRP 50.A O no hydrogen 2.675 N/A LEU 55.A N MET 51.A O no hydrogen 3.110 N/A HIS 59.A N ALA 56.A O no hydrogen 2.975 N/A TRP 60.A NE1 LEU 55.A O no hydrogen 2.832 N/A GLU 61.A N PRO 57.A O no hydrogen 2.783 N/A ARG 62.A N ASP 58.A O no hydrogen 2.983 N/A TYR 63.A N HIS 59.A O no hydrogen 3.034 N/A THR 64.A N TRP 60.A O no hydrogen 3.118 N/A THR 64.A OG1 TRP 60.A O no hydrogen 2.690 N/A LEU 66.A N ARG 62.A O no hydrogen 3.282 N/A LEU 67.A N TYR 63.A O no hydrogen 2.737 N/A ARG 68.A N THR 64.A O no hydrogen 2.941 N/A ARG 68.A NE ARG 42.A O no hydrogen 2.985 N/A ARG 68.A NH2 ARG 42.A O no hydrogen 3.050 N/A GLY 69.A N GLN 65.A O no hydrogen 3.239 N/A TRP 70.A N LEU 66.A O no hydrogen 2.806 N/A GLN 71.A N LEU 67.A O no hydrogen 2.713 N/A GLN 72.A N ARG 68.A O no hydrogen 3.374 N/A MET 73.A N GLY 69.A O no hydrogen 2.983 N/A PHE 74.A N TRP 70.A O no hydrogen 2.931 N/A LYS 75.A N GLN 71.A O no hydrogen 3.038 N/A LYS 75.A NZ GLU 22.A OE2 no hydrogen 2.808 N/A VAL 76.A N GLN 72.A O no hydrogen 3.139 N/A GLU 77.A N MET 73.A O no hydrogen 2.880 N/A LEU 78.A N PHE 74.A O no hydrogen 2.966 N/A LYS 79.A N LYS 75.A O no hydrogen 3.110 N/A ARG 80.A N VAL 76.A O no hydrogen 2.919 N/A LEU 81.A N GLU 77.A O no hydrogen 2.841 N/A GLN 82.A N LEU 78.A O no hydrogen 2.914 N/A GLN 82.A NE2 HIS 87.A O no hydrogen 2.898 N/A GLN 82.A NE2 GLY 89.A O no hydrogen 3.259 N/A ARG 83.A N LYS 79.A O no hydrogen 3.042 N/A HIS 84.A N ARG 80.A O no hydrogen 3.032 N/A TYR 85.A N LEU 81.A O no hydrogen 3.049 N/A TYR 85.A OH ASP 134.A OD1 no hydrogen 2.434 N/A TYR 85.A OH ASP 134.A OD2 no hydrogen 3.318 N/A ASN 86.A N ARG 83.A O no hydrogen 3.207 N/A HIS 87.A N GLN 82.A O no hydrogen 2.850 N/A HIS 87.A ND1 TYR 115.A OH no hydrogen 2.710 N/A SER 90.A OG SER 14.A O no hydrogen 2.582 N/A HIS 91.A N SER 14.A OG no hydrogen 2.921 N/A HIS 91.A ND1 ASP 116.A OD1 no hydrogen 3.125 N/A HIS 91.A ND1 ASP 116.A OD2 no hydrogen 2.757 N/A HIS 91.A NE2 SER 88.A O no hydrogen 2.931 N/A THR 92.A N ASP 116.A OD1 no hydrogen 3.121 N/A TYR 93.A N GLY 12.A O no hydrogen 3.061 N/A TYR 93.A OH GLU 77.A OE1 no hydrogen 2.898 N/A GLN 94.A N ALA 114.A O no hydrogen 2.887 N/A ARG 95.A N ARG 10.A O no hydrogen 3.023 N/A ARG 95.A NE TYR 113.A OH no hydrogen 2.835 N/A MET 96.A N GLN 112.A O no hydrogen 2.821 N/A ILE 97.A N TYR 8.A O no hydrogen 2.929 N/A GLY 98.A N PHE 110.A O no hydrogen 2.993 N/A CYS 99.A N LEU 6.A O no hydrogen 2.795 N/A GLU 100.A N THR 108.A O no hydrogen 2.958 N/A LEU 101.A N HIS 4.A O no hydrogen 2.940 N/A LEU 102.A N SER 106.A O no hydrogen 2.861 N/A GLU 103.A N THR 3.A OG1 no hydrogen 3.128 N/A GLY 105.A N LEU 102.A O no hydrogen 2.875 N/A SER 106.A N ASP 104.A OD1 no hydrogen 2.924 N/A SER 106.A OG ASP 104.A OD1 no hydrogen 2.604 N/A SER 106.A OG ASP 104.A OD2 no hydrogen 3.371 N/A THR 108.A N GLU 100.A O no hydrogen 3.165 N/A THR 108.A OG1 GLU 100.A OE1 no hydrogen 3.081 N/A PHE 110.A N GLY 98.A O no hydrogen 2.884 N/A GLN 112.A N MET 96.A O no hydrogen 2.893 N/A TYR 113.A N LEU 121.A O no hydrogen 2.906 N/A ALA 114.A N GLN 94.A O no hydrogen 2.721 N/A TYR 115.A N GLN 118.A O no hydrogen 3.042 N/A TYR 115.A OH HIS 87.A ND1 no hydrogen 2.710 N/A ASP 116.A N THR 92.A O no hydrogen 2.906 N/A GLN 118.A N TYR 115.A O no hydrogen 3.317 N/A PHE 120.A N TYR 113.A O no hydrogen 3.004 N/A LEU 121.A N TYR 113.A O no hydrogen 3.178 N/A ILE 122.A N LEU 131.A O no hydrogen 2.977 N/A PHE 123.A N LEU 111.A O no hydrogen 2.862 N/A ASN 124.A N SER 129.A O no hydrogen 2.698 N/A LYS 125.A NZ GLU 159.A OE2 no hydrogen 2.931 N/A ASP 126.A N ASN 124.A OD1 no hydrogen 3.211 N/A THR 127.A N ASN 124.A OD1 no hydrogen 3.370 N/A THR 127.A OG1 SER 129.A OG no hydrogen 2.731 N/A SER 129.A N ASN 124.A O no hydrogen 3.073 N/A SER 129.A OG THR 127.A OG1 no hydrogen 2.731 N/A TRP 130.A N GLU 145.A OE2 no hydrogen 2.734 N/A LEU 131.A N ILE 122.A O no hydrogen 2.716 N/A VAL 133.A N PHE 120.A O no hydrogen 3.256 N/A ALA 137.A N ASP 134.A OD2 no hydrogen 2.792 N/A HIS 138.A N ASP 134.A O no hydrogen 3.028 N/A THR 139.A N ASN 135.A O no hydrogen 3.091 N/A THR 139.A OG1 ASN 135.A O no hydrogen 3.025 N/A ILE 140.A N VAL 136.A O no hydrogen 3.273 N/A LYS 141.A N ALA 137.A O no hydrogen 2.827 N/A LYS 141.A NZ TRP 130.A O no hydrogen 2.725 N/A LYS 141.A NZ GLU 145.A OE1 no hydrogen 3.332 N/A LYS 141.A NZ GLU 145.A OE2 no hydrogen 2.691 N/A GLN 142.A N HIS 138.A O no hydrogen 2.989 N/A TRP 144.A N ILE 140.A O no hydrogen 2.997 N/A GLU 145.A N LYS 141.A O no hydrogen 2.916 N/A ALA 146.A N ALA 143.A O no hydrogen 3.333 N/A ASN 147.A N TRP 144.A O no hydrogen 3.386 N/A GLU 150.A N ASN 147.A OD1 no hydrogen 3.215 N/A LEU 151.A N ASN 147.A O no hydrogen 3.399 N/A LEU 152.A N GLN 148.A O no hydrogen 3.176 N/A TYR 153.A N HIS 149.A O no hydrogen 3.015 N/A GLN 154.A N GLU 150.A O no hydrogen 3.022 N/A LYS 155.A N LEU 151.A O no hydrogen 3.010 N/A LYS 155.A NZ LYS 125.A O no hydrogen 2.938 N/A LYS 155.A NZ GLU 159.A OE2 no hydrogen 2.866 N/A ASN 156.A N LEU 152.A O no hydrogen 2.978 N/A TRP 157.A N TYR 153.A O no hydrogen 2.816 N/A LEU 158.A N GLN 154.A O no hydrogen 3.012 N/A GLU 159.A N LYS 155.A O no hydrogen 2.980 N/A GLU 160.A N ASN 156.A O no hydrogen 2.891 N/A GLU 161.A N ASN 156.A O no hydrogen 3.410 N/A CYS 162.A N TRP 157.A O no hydrogen 2.740 N/A ALA 164.A N GLU 160.A O no hydrogen 3.066 N/A TRP 165.A N GLU 161.A O no hydrogen 2.955 N/A LEU 166.A N CYS 162.A O no hydrogen 2.931 N/A LYS 167.A N ILE 163.A O no hydrogen 2.951 N/A ARG 168.A N ALA 164.A O no hydrogen 3.120 N/A ARG 168.A NE TYR 172.A OH no hydrogen 3.027 N/A ARG 168.A NH2 TYR 172.A OH no hydrogen 3.019 N/A PHE 169.A N TRP 165.A O no hydrogen 2.842 N/A LEU 170.A N LEU 166.A O no hydrogen 2.867 N/A GLU 171.A N LYS 167.A O no hydrogen 3.261 N/A TYR 172.A N ARG 168.A O no hydrogen 3.164 N/A GLY 173.A N PHE 169.A O no hydrogen 2.948 N/A LYS 174.A N GLU 171.A O no hydrogen 3.327 N/A LYS 174.A NZ GLU 171.A OE1 no hydrogen 2.825 N/A THR 176.A N GLY 173.A O no hydrogen 2.995 N/A THR 176.A OG1 GLY 173.A O no hydrogen 3.267 N/A LEU 177.A N GLY 173.A O no hydrogen 2.785 N/A GLN 178.A N LYS 174.A O no hydrogen 3.010 N/A ARG 179.A NE GLU 181.A OE2 no hydrogen 2.784 N/A ARG 179.A NH1 THR 176.A O no hydrogen 2.844 N/A ARG 179.A NH2 GLU 181.A OE2 no hydrogen 2.996 N/A ARG 179.A NH2 GLY 237.A O no hydrogen 3.217 N/A GLU 181.A N TYR 207.A O no hydrogen 2.769 N/A LEU 184.A N HIS 204.A O no hydrogen 2.768 N/A ARG 186.A N LYS 202.A O no hydrogen 2.905 N/A ASN 188.A N PHE 200.A O no hydrogen 2.732 N/A LYS 190.A N ALA 198.A O no hydrogen 2.977 N/A THR 192.A N VAL 196.A O no hydrogen 2.781 N/A VAL 196.A N PHE 193.A O no hydrogen 2.855 N/A ALA 198.A N LYS 190.A O no hydrogen 2.681 N/A LEU 199.A N ILE 245.A O no hydrogen 2.916 N/A PHE 200.A N ASN 188.A O no hydrogen 2.785 N/A CYS 201.A N ALA 243.A O no hydrogen 2.869 N/A LYS 202.A N ARG 186.A O no hydrogen 2.759 N/A ALA 203.A N ALA 241.A O no hydrogen 2.818 N/A HIS 204.A N LEU 184.A O no hydrogen 3.075 N/A PHE 206.A N TYR 239.A O no hydrogen 3.363 N/A TYR 207.A N GLU 181.A O no hydrogen 3.121 N/A TYR 207.A OH HIS 32.A NE2 no hydrogen 2.797 N/A TYR 212.A N GLU 254.A O no hydrogen 2.939 N/A THR 214.A N HIS 252.A O no hydrogen 2.966 N/A TRP 215.A NE1 ALA 243.A O no hydrogen 2.985 N/A MET 216.A N SER 250.A O no hydrogen 2.788 N/A LYS 217.A N GLU 220.A O no hydrogen 2.941 N/A ASN 218.A N LEU 248.A O no hydrogen 2.744 N/A GLU 220.A N LYS 217.A O no hydrogen 3.196 N/A ASP 227.A N SER 244.A O no hydrogen 2.997 N/A GLY 229.A N TRP 242.A O no hydrogen 2.873 N/A LEU 232.A N GLN 240.A O no hydrogen 2.809 N/A SER 234.A N THR 238.A O no hydrogen 2.847 N/A SER 234.A OG THR 238.A O no hydrogen 3.532 N/A SER 234.A OG GLN 240.A OE1 no hydrogen 3.410 N/A THR 238.A N ASP 236.A OD1 no hydrogen 3.146 N/A THR 238.A OG1 ASP 236.A OD1 no hydrogen 2.613 N/A TYR 239.A N PHE 206.A O no hydrogen 2.789 N/A GLN 240.A N LEU 232.A O no hydrogen 2.976 N/A ALA 241.A N ALA 203.A O no hydrogen 2.942 N/A ALA 243.A N CYS 201.A O no hydrogen 3.015 N/A SER 244.A N ASP 227.A O no hydrogen 3.009 N/A ILE 245.A N LEU 199.A O no hydrogen 3.065 N/A LEU 247.A N THR 197.A O no hydrogen 3.263 N/A TYR 249.A OH LEU 247.A O no hydrogen 3.404 N/A SER 250.A N MET 216.A O no hydrogen 2.899 N/A SER 250.A OG HIS 252.A NE2 no hydrogen 2.903 N/A CYS 251.A N LEU 262.A O no hydrogen 2.917 N/A HIS 252.A N THR 214.A O no hydrogen 2.765 N/A HIS 252.A ND1 HIS 259.A NE2 no hydrogen 3.027 N/A HIS 252.A NE2 SER 250.A OG no hydrogen 2.903 N/A VAL 253.A N MET 260.A O no hydrogen 2.763 N/A GLU 254.A N TYR 212.A O no hydrogen 2.828 N/A HIS 255.A N VAL 258.A O no hydrogen 3.118 N/A HIS 255.A NE2 PRO 208.A O no hydrogen 2.972 N/A VAL 258.A N HIS 255.A O no hydrogen 3.115 N/A HIS 259.A NE2 HIS 252.A ND1 no hydrogen 3.027 N/A MET 260.A N VAL 253.A O no hydrogen 2.698 N/A LEU 262.A N CYS 251.A O no hydrogen 2.821 N/A VAL 264.A N TYR 249.A O no hydrogen 2.913 N/A