Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 1xwy_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): MET 1.A N ASN 30.A OD1 no hydrogen 3.155 N/A MET 1.A N ASP 249.A OD1 no hydrogen 2.658 N/A ASP 3.A N GLY 31.A O no hydrogen 3.050 N/A ILE 4.A N ILE 200.A O no hydrogen 3.251 N/A GLY 5.A N ASP 3.A OD1 no hydrogen 2.997 N/A VAL 6.A N LEU 33.A O no hydrogen 3.077 N/A ASN 7.A N ALA 204.A O no hydrogen 2.911 N/A ASN 7.A ND2 ASP 203.A O no hydrogen 3.234 N/A ASN 7.A ND2 ASP 203.A OD1 no hydrogen 3.034 N/A ASN 7.A ND2 ALA 204.A O no hydrogen 3.012 N/A THR 9.A OG1 GLU 41.A OE1 no hydrogen 2.744 N/A SER 10.A N ASN 7.A O no hydrogen 3.119 N/A SER 10.A OG ASN 7.A O no hydrogen 2.636 N/A PHE 13.A N SER 10.A O no hydrogen 2.855 N/A ALA 14.A N SER 11.A O no hydrogen 3.090 N/A ARG 17.A NE LEU 8.A O no hydrogen 2.772 N/A ARG 17.A NH2 LEU 8.A O no hydrogen 3.133 N/A VAL 20.A N ASP 16.A O no hydrogen 2.961 N/A VAL 21.A N ARG 17.A O no hydrogen 3.091 N/A ALA 22.A N ASP 18.A O no hydrogen 3.075 N/A CYS 23.A N ASP 19.A O no hydrogen 2.806 N/A CYS 23.A SG ASP 19.A O no hydrogen 3.332 N/A ALA 24.A N VAL 20.A O no hydrogen 3.075 N/A PHE 25.A N VAL 21.A O no hydrogen 3.178 N/A ASP 26.A N ALA 22.A O no hydrogen 2.946 N/A ALA 27.A N CYS 23.A O no hydrogen 2.988 N/A GLY 28.A N PHE 25.A O no hydrogen 2.927 N/A VAL 29.A N ALA 24.A O no hydrogen 3.091 N/A ASN 30.A N MET 1.A O no hydrogen 2.818 N/A LEU 32.A N SER 54.A O no hydrogen 3.065 N/A LEU 33.A N ASP 3.A O no hydrogen 2.927 N/A ILE 34.A N TRP 56.A O no hydrogen 2.717 N/A THR 35.A N VAL 6.A O no hydrogen 3.096 N/A GLY 36.A N THR 58.A OG1 no hydrogen 2.908 N/A ASN 38.A ND2 ASP 65.A OD2 no hydrogen 2.923 N/A GLU 41.A N ASN 38.A OD1 no hydrogen 2.957 N/A SER 42.A N ASN 38.A O no hydrogen 2.877 N/A SER 42.A OG ASN 38.A O no hydrogen 2.836 N/A SER 42.A OG GLY 60.A O no hydrogen 3.450 N/A GLN 43.A N LEU 39.A O no hydrogen 3.016 N/A GLN 44.A N ARG 40.A O no hydrogen 3.055 N/A ALA 45.A N GLU 41.A O no hydrogen 2.759 N/A GLN 46.A N SER 42.A O no hydrogen 3.057 N/A GLN 46.A NE2 GLU 85.A OE1 no hydrogen 3.158 N/A LYS 47.A N GLN 43.A O no hydrogen 3.082 N/A LEU 48.A N GLN 44.A O no hydrogen 3.019 N/A ALA 49.A N ALA 45.A O no hydrogen 2.935 N/A ARG 50.A N GLN 46.A O no hydrogen 3.007 N/A GLN 51.A N LYS 47.A O no hydrogen 2.986 N/A TYR 52.A N LEU 48.A O no hydrogen 3.095 N/A TYR 52.A OH ASP 18.A OD1 no hydrogen 2.484 N/A CYS 55.A SG SER 53.A O no hydrogen 3.524 N/A TRP 56.A N LEU 32.A O no hydrogen 2.966 N/A SER 57.A N GLU 85.A O no hydrogen 2.890 N/A THR 58.A N ILE 34.A O no hydrogen 3.074 N/A THR 58.A OG1 GLY 36.A O no hydrogen 3.483 N/A THR 58.A OG1 GLY 90.A O no hydrogen 2.819 N/A ALA 59.A N ALA 88.A O no hydrogen 3.074 N/A GLY 60.A N SER 42.A OG no hydrogen 3.193 N/A VAL 61.A N GLN 113.A OE1 no hydrogen 2.837 N/A HIS 62.A N THR 37.A O no hydrogen 2.831 N/A HIS 64.A N HIS 62.A ND1 no hydrogen 2.991 N/A ASP 65.A N HIS 62.A O no hydrogen 3.040 N/A SER 66.A N PRO 63.A O no hydrogen 3.175 N/A SER 66.A OG PRO 63.A O no hydrogen 2.670 N/A SER 67.A N SER 101.A OG no hydrogen 3.089 N/A SER 67.A OG GLN 68.A OE1 no hydrogen 3.113 N/A SER 67.A OG SER 101.A OG no hydrogen 3.313 N/A GLN 68.A N ASP 65.A O no hydrogen 2.895 N/A TRP 69.A N SER 66.A O no hydrogen 3.023 N/A GLN 70.A N THR 73.A OG1 no hydrogen 3.151 N/A THR 73.A N GLN 70.A O no hydrogen 3.029 N/A THR 73.A OG1 GLN 68.A O no hydrogen 3.434 N/A GLU 74.A N GLN 70.A O no hydrogen 3.262 N/A GLU 75.A N ALA 71.A O no hydrogen 3.290 N/A ALA 76.A N ALA 72.A O no hydrogen 3.161 N/A ILE 77.A N THR 73.A O no hydrogen 2.964 N/A ILE 78.A N GLU 74.A O no hydrogen 3.096 N/A GLU 79.A N GLU 75.A O no hydrogen 2.989 N/A LEU 80.A N ALA 76.A O no hydrogen 2.971 N/A ALA 81.A N ILE 77.A O no hydrogen 2.888 N/A ALA 82.A N GLU 79.A O no hydrogen 3.306 N/A GLN 83.A N LEU 80.A O no hydrogen 3.052 N/A VAL 86.A N GLN 83.A O no hydrogen 3.158 N/A VAL 87.A N SER 57.A O no hydrogen 3.037 N/A ILE 89.A N PRO 123.A O no hydrogen 3.014 N/A GLY 90.A N ALA 59.A O no hydrogen 2.896 N/A GLU 91.A N GLY 36.A O no hydrogen 2.942 N/A CYS 92.A N PHE 125.A O no hydrogen 3.021 N/A CYS 92.A SG PHE 125.A O no hydrogen 3.870 N/A LEU 94.A N HIS 127.A O no hydrogen 3.087 N/A ASP 95.A N GLN 106.A OE1 no hydrogen 2.668 N/A PHE 96.A N ARG 129.A O no hydrogen 3.004 N/A ASN 97.A N ASP 95.A OD1 no hydrogen 2.887 N/A ASN 97.A ND2 ASP 130.A OD2 no hydrogen 2.755 N/A ARG 98.A N ASP 95.A OD1 no hydrogen 2.873 N/A ARG 98.A NH1 ASN 97.A OD1 no hydrogen 2.932 N/A ASN 99.A ND2 PHE 96.A O no hydrogen 3.088 N/A SER 101.A OG PRO 63.A O no hydrogen 3.341 N/A SER 101.A OG HIS 64.A O no hydrogen 2.853 N/A SER 101.A OG SER 67.A OG no hydrogen 3.313 N/A THR 102.A N GLU 105.A OE1 no hydrogen 2.865 N/A GLU 105.A N THR 102.A OG1 no hydrogen 3.133 N/A GLN 106.A N THR 102.A O no hydrogen 2.770 N/A GLN 106.A NE2 ASP 95.A O no hydrogen 2.989 N/A GLN 106.A NE2 SER 101.A O no hydrogen 3.014 N/A GLU 107.A N PRO 103.A O no hydrogen 2.888 N/A ARG 108.A N GLU 104.A O no hydrogen 3.293 N/A ALA 109.A N GLU 105.A O no hydrogen 3.229 N/A PHE 110.A N GLN 106.A O no hydrogen 2.946 N/A VAL 111.A N GLU 107.A O no hydrogen 2.956 N/A ALA 112.A N ARG 108.A O no hydrogen 3.017 N/A GLN 113.A N ALA 109.A O no hydrogen 3.076 N/A GLN 113.A NE2 VAL 61.A O no hydrogen 3.028 N/A GLN 113.A NE2 ALA 109.A O no hydrogen 3.051 N/A LEU 114.A N PHE 110.A O no hydrogen 2.993 N/A ARG 115.A N VAL 111.A O no hydrogen 2.972 N/A ILE 116.A N ALA 112.A O no hydrogen 3.022 N/A ALA 117.A N GLN 113.A O no hydrogen 2.938 N/A ALA 118.A N LEU 114.A O no hydrogen 2.924 N/A ASP 119.A N ARG 115.A O no hydrogen 3.008 N/A LEU 120.A N ILE 116.A O no hydrogen 2.928 N/A ASN 121.A N ALA 118.A O no hydrogen 3.184 N/A MET 122.A N ALA 117.A O no hydrogen 2.858 N/A VAL 124.A N GLY 148.A O no hydrogen 3.176 N/A PHE 125.A N ILE 89.A O no hydrogen 2.834 N/A MET 126.A N VAL 150.A O no hydrogen 2.893 N/A HIS 127.A N CYS 92.A O no hydrogen 2.777 N/A HIS 127.A NE2 ASP 95.A OD2 no hydrogen 3.026 N/A ARG 129.A N LEU 94.A O no hydrogen 3.011 N/A ARG 129.A NH1 ASP 95.A OD2 no hydrogen 2.774 N/A ARG 134.A NE GLU 107.A OE2 no hydrogen 2.735 N/A ARG 134.A NH2 GLU 107.A OE1 no hydrogen 2.903 N/A ARG 134.A NH2 GLU 107.A OE2 no hydrogen 3.553 N/A PHE 135.A N ALA 131.A O no hydrogen 2.735 N/A MET 136.A N HIS 132.A O no hydrogen 2.848 N/A THR 137.A N GLU 133.A O no hydrogen 3.107 N/A THR 137.A OG1 GLU 133.A O no hydrogen 2.987 N/A LEU 138.A N ARG 134.A O no hydrogen 3.031 N/A LEU 139.A N PHE 135.A O no hydrogen 2.923 N/A GLU 140.A N MET 136.A O no hydrogen 2.827 N/A TRP 142.A N LEU 139.A O no hydrogen 2.843 N/A LEU 143.A N GLU 140.A O no hydrogen 3.322 N/A LYS 145.A N TRP 142.A O no hydrogen 3.024 N/A LEU 146.A N LEU 143.A O no hydrogen 3.389 N/A VAL 150.A N VAL 124.A O no hydrogen 2.989 N/A LEU 151.A N TYR 170.A O no hydrogen 2.946 N/A HIS 152.A N MET 126.A O no hydrogen 3.233 N/A HIS 152.A NE2 GLU 91.A OE2 no hydrogen 2.597 N/A CYS 153.A N GLU 201.A OE2 no hydrogen 2.718 N/A CYS 153.A SG HIS 152.A ND1 no hydrogen 3.871 N/A CYS 153.A SG GLU 201.A OE1 no hydrogen 3.904 N/A PHE 154.A N GLY 172.A O no hydrogen 3.073 N/A THR 157.A N GLU 160.A OE1 no hydrogen 3.152 N/A GLU 160.A N THR 157.A OG1 no hydrogen 3.357 N/A MET 161.A N THR 157.A O no hydrogen 2.916 N/A GLN 162.A N ARG 158.A O no hydrogen 2.882 N/A ALA 163.A N GLU 159.A O no hydrogen 3.102 N/A CYS 164.A N GLU 160.A O no hydrogen 2.942 N/A CYS 164.A SG GLU 160.A O no hydrogen 3.330 N/A VAL 165.A N MET 161.A O no hydrogen 2.864 N/A ALA 166.A N GLN 162.A O no hydrogen 2.807 N/A HIS 167.A N ALA 163.A O no hydrogen 3.218 N/A HIS 167.A N CYS 164.A O no hydrogen 2.984 N/A HIS 167.A ND1 ALA 163.A O no hydrogen 2.992 N/A GLY 168.A N VAL 165.A O no hydrogen 2.818 N/A ILE 169.A N CYS 164.A O no hydrogen 3.073 N/A TYR 170.A N ALA 149.A O no hydrogen 2.936 N/A ILE 171.A N LYS 197.A O no hydrogen 2.775 N/A GLY 172.A N LEU 151.A O no hydrogen 3.068 N/A ILE 173.A N LEU 199.A O no hydrogen 2.935 N/A TRP 176.A N THR 174.A OG1 no hydrogen 3.131 N/A CYS 178.A N GLY 175.A O no hydrogen 2.709 N/A CYS 178.A SG ASP 211.A OD2 no hydrogen 3.874 N/A ASP 179.A N TRP 176.A O no hydrogen 3.138 N/A ARG 181.A N ASP 179.A OD1 no hydrogen 2.955 N/A ARG 182.A NH1 ASP 179.A OD1 no hydrogen 3.311 N/A ARG 182.A NH1 ASP 179.A OD2 no hydrogen 2.611 N/A GLY 183.A N ASP 179.A O no hydrogen 2.899 N/A ARG 187.A N GLY 183.A O no hydrogen 2.915 N/A ARG 187.A NH1 VAL 177.A O no hydrogen 2.971 N/A ARG 187.A NH2 GLU 180.A OE1 no hydrogen 2.494 N/A GLU 188.A N LEU 184.A O no hydrogen 2.988 N/A LEU 189.A N LEU 186.A O no hydrogen 2.944 N/A LEU 190.A N ARG 187.A O no hydrogen 3.272 N/A LEU 192.A N LEU 189.A O no hydrogen 2.788 N/A ILE 193.A N LEU 190.A O no hydrogen 3.153 N/A LYS 197.A N PRO 194.A O no hydrogen 2.817 N/A LYS 197.A NZ GLY 168.A O no hydrogen 3.425 N/A LEU 198.A N ALA 195.A O no hydrogen 3.449 N/A LEU 199.A N ILE 171.A O no hydrogen 2.991 N/A GLU 201.A N ILE 173.A O no hydrogen 3.050 N/A THR 202.A N ASP 3.A OD1 no hydrogen 3.011 N/A THR 202.A OG1 ASP 3.A OD2 no hydrogen 2.572 N/A ASP 203.A N GLY 5.A O no hydrogen 2.951 N/A ALA 204.A N THR 202.A OG1 no hydrogen 3.040 N/A TYR 206.A N ASP 203.A O no hydrogen 2.881 N/A LEU 212.A N PRO 209.A O no hydrogen 3.355 N/A LYS 215.A N LEU 212.A O no hydrogen 3.328 N/A ARG 220.A NH1 GLN 12.A O no hydrogen 2.993 N/A ARG 220.A NH1 ASP 16.A OD1 no hydrogen 2.748 N/A ARG 220.A NH1 ASP 16.A OD2 no hydrogen 3.277 N/A ARG 220.A NH2 ASP 16.A OD2 no hydrogen 2.907 N/A ASN 221.A N PRO 205.A O no hydrogen 2.915 N/A ASN 221.A ND2 TYR 206.A O no hydrogen 2.887 N/A GLU 222.A N ASN 221.A OD1 no hydrogen 2.950 N/A HIS 225.A N GLU 222.A O no hydrogen 2.935 N/A HIS 225.A ND1 ASN 221.A OD1 no hydrogen 3.049 N/A LEU 226.A N PRO 223.A O no hydrogen 2.905 N/A HIS 228.A N HIS 225.A O no hydrogen 3.137 N/A HIS 228.A NE2 ASP 211.A OD1 no hydrogen 2.793 N/A ILE 229.A N HIS 225.A O no hydrogen 3.252 N/A LEU 230.A N LEU 226.A O no hydrogen 2.852 N/A GLN 231.A N PRO 227.A O no hydrogen 2.939 N/A ARG 232.A N HIS 228.A O no hydrogen 3.150 N/A ILE 233.A N ILE 229.A O no hydrogen 3.010 N/A ALA 234.A N LEU 230.A O no hydrogen 2.918 N/A HIS 235.A N GLN 231.A O no hydrogen 2.893 N/A TRP 236.A N ARG 232.A O no hydrogen 2.952 N/A ARG 237.A N ILE 233.A O no hydrogen 3.096 N/A ARG 237.A N ALA 234.A O no hydrogen 3.063 N/A ARG 237.A NE GLU 239.A OE1 no hydrogen 2.819 N/A ARG 237.A NE GLU 239.A OE2 no hydrogen 3.339 N/A ARG 237.A NH1 LEU 190.A O no hydrogen 2.798 N/A ARG 237.A NH1 ILE 193.A O no hydrogen 2.687 N/A ARG 237.A NH2 ILE 193.A O no hydrogen 3.363 N/A ARG 237.A NH2 GLU 239.A OE2 no hydrogen 2.780 N/A GLY 238.A N HIS 235.A O no hydrogen 3.139 N/A GLU 239.A N ALA 234.A O no hydrogen 2.919 N/A TRP 243.A N ASP 240.A OD2 no hydrogen 3.009 N/A LEU 244.A N ASP 240.A O no hydrogen 2.801 N/A ALA 245.A N ALA 241.A O no hydrogen 2.802 N/A ALA 246.A N ALA 242.A O no hydrogen 3.089 N/A THR 247.A N TRP 243.A O no hydrogen 3.003 N/A THR 247.A OG1 TRP 243.A O no hydrogen 3.093 N/A THR 248.A N LEU 244.A O no hydrogen 2.938 N/A THR 248.A OG1 LEU 244.A O no hydrogen 3.033 N/A THR 248.A OG1 ALA 245.A O no hydrogen 3.201 N/A ASP 249.A N ALA 245.A O no hydrogen 2.992 N/A ALA 250.A N ALA 246.A O no hydrogen 3.070 N/A ASN 251.A N THR 247.A O no hydrogen 3.005 N/A ASN 251.A ND2 ALA 195.A O no hydrogen 2.977 N/A ASN 251.A ND2 LEU 198.A O no hydrogen 2.996 N/A VAL 252.A N THR 248.A O no hydrogen 2.933 N/A LYS 253.A N ASP 249.A O no hydrogen 2.941 N/A THR 254.A N ALA 250.A O no hydrogen 2.890 N/A THR 254.A OG1 ALA 250.A O no hydrogen 2.859 N/A LEU 255.A N ASN 251.A O no hydrogen 2.807 N/A PHE 256.A N VAL 252.A O no hydrogen 2.870 N/A GLY 257.A N LYS 253.A O no hydrogen 2.846 N/A