Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3bwh_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ASN 1.A ND2 ASP 51.A OD1 no hydrogen 3.011 N/A PHE 4.A N ASP 51.A O no hydrogen 2.880 N/A LEU 6.A N VAL 53.A O no hydrogen 2.957 N/A SER 7.A OG ASP 5.A OD2 no hydrogen 2.808 N/A SER 8.A N ASP 5.A OD2 no hydrogen 3.092 N/A SER 8.A OG ASP 5.A OD1 no hydrogen 3.296 N/A SER 8.A OG ASP 5.A OD2 no hydrogen 2.610 N/A ALA 9.A N LEU 6.A O no hydrogen 3.142 N/A THR 10.A N SER 13.A OG no hydrogen 2.978 N/A SER 11.A OG ALA 170.A O no hydrogen 3.450 N/A SER 13.A N THR 10.A OG1 no hydrogen 2.948 N/A SER 13.A OG SER 8.A O no hydrogen 3.478 N/A SER 13.A OG THR 10.A O no hydrogen 3.344 N/A TYR 14.A N THR 10.A O no hydrogen 3.036 N/A TYR 14.A OH THR 155.A O no hydrogen 2.765 N/A LYS 15.A N SER 11.A O no hydrogen 3.090 N/A THR 16.A N SER 12.A O no hydrogen 2.964 N/A THR 16.A OG1 SER 12.A O no hydrogen 2.950 N/A PHE 17.A N SER 13.A O no hydrogen 2.981 N/A ILE 18.A N TYR 14.A O no hydrogen 2.988 N/A LYS 19.A N LYS 15.A O no hydrogen 2.945 N/A ASN 20.A N THR 16.A O no hydrogen 2.909 N/A LEU 21.A N PHE 17.A O no hydrogen 2.867 N/A ARG 22.A N ILE 18.A O no hydrogen 2.949 N/A ARG 22.A NE ALA 160.A O no hydrogen 2.811 N/A ARG 22.A NH1 GLU 166.A OE1 no hydrogen 3.087 N/A ARG 22.A NH2 ALA 159.A O no hydrogen 2.869 N/A ARG 22.A NH2 GLU 166.A OE1 no hydrogen 2.839 N/A GLU 23.A N LYS 19.A O no hydrogen 2.951 N/A ALA 24.A N ASN 20.A O no hydrogen 3.032 N/A ALA 24.A N LEU 21.A O no hydrogen 3.181 N/A LEU 25.A N ARG 22.A O no hydrogen 3.230 N/A LYS 27.A NZ ARG 22.A O no hydrogen 2.742 N/A LYS 27.A NZ LEU 25.A O no hydrogen 2.745 N/A ASP 28.A N VAL 36.A O no hydrogen 2.737 N/A VAL 31.A N ILE 34.A O no hydrogen 2.920 N/A TYR 32.A OH ALA 200.A O no hydrogen 3.344 N/A ILE 34.A N VAL 31.A O no hydrogen 2.943 N/A VAL 36.A N GLY 29.A O no hydrogen 2.924 N/A LEU 37.A N LEU 238.A O no hydrogen 2.910 N/A ARG 45.A N MET 42.A O no hydrogen 2.959 N/A ARG 46.A N ASP 43.A O no hydrogen 3.212 N/A ARG 46.A NE ASP 65.A OD1 no hydrogen 2.846 N/A ARG 46.A NH2 ASP 65.A OD2 no hydrogen 3.095 N/A ILE 48.A N ILE 64.A O no hydrogen 2.958 N/A ILE 50.A N ALA 62.A O no hydrogen 2.922 N/A ASP 51.A N VAL 2.A O no hydrogen 2.877 N/A LEU 52.A N ILE 60.A O no hydrogen 2.905 N/A VAL 53.A N PHE 4.A O no hydrogen 2.971 N/A ASN 54.A N GLN 58.A O no hydrogen 2.981 N/A ASN 54.A ND2 GLN 58.A OE1 no hydrogen 2.948 N/A ASN 54.A ND2 THR 135.A OG1 no hydrogen 2.949 N/A TYR 55.A N ASP 131.A OD1 no hydrogen 2.985 N/A GLY 57.A N ASN 54.A O no hydrogen 2.957 N/A GLN 58.A N ASN 54.A OD1 no hydrogen 2.882 N/A ILE 60.A N LEU 52.A O no hydrogen 2.999 N/A THR 61.A N SER 75.A O no hydrogen 2.987 N/A THR 61.A OG1 ASP 51.A OD1 no hydrogen 2.719 N/A ALA 62.A N ILE 50.A O no hydrogen 2.811 N/A ALA 63.A N ALA 73.A O no hydrogen 2.896 N/A ILE 64.A N ILE 48.A O no hydrogen 2.853 N/A ASP 65.A N TYR 70.A O no hydrogen 2.870 N/A VAL 66.A N ARG 46.A O no hydrogen 2.949 N/A LEU 67.A N ASP 65.A OD1 no hydrogen 2.966 N/A ASN 68.A N ASP 65.A O no hydrogen 3.291 N/A VAL 69.A N ASP 65.A O no hydrogen 2.856 N/A TYR 70.A N ASN 68.A OD1 no hydrogen 2.940 N/A VAL 72.A N ALA 63.A O no hydrogen 2.909 N/A TYR 74.A N TYR 81.A O no hydrogen 2.973 N/A TYR 74.A OH LEU 137.A O no hydrogen 2.742 N/A SER 75.A N THR 61.A O no hydrogen 2.804 N/A THR 76.A N VAL 79.A O no hydrogen 2.905 N/A THR 76.A OG1 THR 78.A OG1 no hydrogen 3.172 N/A THR 76.A OG1 VAL 79.A O no hydrogen 3.286 N/A GLY 77.A N SER 75.A OG no hydrogen 2.938 N/A THR 78.A N THR 76.A OG1 no hydrogen 3.285 N/A THR 78.A OG1 THR 76.A OG1 no hydrogen 3.172 N/A VAL 79.A N THR 76.A OG1 no hydrogen 3.124 N/A SER 80.A N GLN 99.A O no hydrogen 2.864 N/A SER 80.A OG THR 98.A OG1 no hydrogen 2.774 N/A TYR 81.A N TYR 74.A O no hydrogen 2.837 N/A PHE 82.A N ARG 101.A O no hydrogen 2.899 N/A PHE 83.A N VAL 72.A O no hydrogen 3.077 N/A GLN 84.A N TYR 105.A O no hydrogen 2.975 N/A GLN 89.A N GLN 89.A OE1 no hydrogen 2.826 N/A GLN 89.A NE2 ASP 43.A OD1 no hydrogen 2.793 N/A ALA 90.A N PRO 87.A O no hydrogen 2.936 N/A LEU 93.A N GLN 89.A O no hydrogen 3.210 N/A LEU 93.A N ALA 90.A O no hydrogen 3.177 N/A LEU 94.A N ALA 90.A O no hydrogen 2.976 N/A THR 98.A N PHE 95.A O no hydrogen 3.269 N/A THR 98.A OG1 SER 80.A OG no hydrogen 2.774 N/A THR 98.A OG1 PHE 95.A O no hydrogen 2.705 N/A GLN 99.A N THR 78.A O no hydrogen 3.049 N/A GLN 100.A NE2 PRO 91.A O no hydrogen 2.987 N/A GLN 100.A NE2 PHE 95.A O no hydrogen 3.497 N/A ARG 101.A N SER 80.A O no hydrogen 2.772 N/A LEU 103.A N PHE 82.A O no hydrogen 2.803 N/A THR 106.A OG1 ASN 111.A OD1 no hydrogen 2.441 N/A ASN 108.A N THR 106.A OG1 no hydrogen 3.288 N/A ASN 108.A ND2 ASN 111.A OD1 no hydrogen 2.570 N/A TYR 109.A OH GLU 158.A OE2 no hydrogen 2.585 N/A LEU 112.A N ASN 108.A O no hydrogen 2.956 N/A GLN 113.A N TYR 109.A O no hydrogen 2.867 N/A THR 114.A N GLU 110.A O no hydrogen 3.096 N/A THR 114.A OG1 GLU 110.A O no hydrogen 3.103 N/A ALA 115.A N ASN 111.A O no hydrogen 3.056 N/A ALA 116.A N LEU 112.A O no hydrogen 2.859 N/A LYS 117.A N THR 114.A O no hydrogen 3.234 N/A LYS 118.A N GLN 113.A O no hydrogen 3.264 N/A ARG 120.A NH1 GLU 187.A OE1 no hydrogen 2.850 N/A ARG 120.A NH1 ASN 188.A OD1 no hydrogen 3.038 N/A ARG 120.A NH2 ASN 188.A OD1 no hydrogen 3.053 N/A GLU 121.A N GLU 121.A OE1 no hydrogen 2.747 N/A ASN 122.A N LEU 119.A O no hydrogen 2.830 N/A ILE 123.A N ARG 120.A O no hydrogen 3.089 N/A LEU 125.A N PHE 177.A O no hydrogen 2.714 N/A LEU 127.A N ASN 172.A O no hydrogen 2.873 N/A LEU 130.A N GLY 126.A O no hydrogen 3.039 N/A ASP 131.A N LEU 127.A O no hydrogen 2.961 N/A SER 132.A N PRO 128.A O no hydrogen 3.189 N/A SER 132.A OG PRO 128.A O no hydrogen 3.357 N/A ALA 133.A N ALA 129.A O no hydrogen 2.934 N/A ILE 134.A N LEU 130.A O no hydrogen 2.907 N/A THR 135.A N ASP 131.A O no hydrogen 3.105 N/A THR 135.A OG1 ASP 131.A O no hydrogen 3.091 N/A THR 136.A N SER 132.A O no hydrogen 2.946 N/A THR 136.A OG1 SER 132.A O no hydrogen 3.085 N/A LEU 137.A N ALA 133.A O no hydrogen 2.993 N/A PHE 138.A N ILE 134.A O no hydrogen 2.832 N/A HIS 139.A N THR 135.A O no hydrogen 3.037 N/A ALA 144.A N ASN 141.A O no hydrogen 3.218 N/A ALA 144.A N ASN 141.A OD1 no hydrogen 3.099 N/A ALA 148.A N ALA 144.A O no hydrogen 3.484 N/A LEU 149.A N ALA 145.A O no hydrogen 2.826 N/A LEU 150.A N ALA 146.A O no hydrogen 2.950 N/A VAL 151.A N SER 147.A O no hydrogen 3.077 N/A LEU 152.A N ALA 148.A O no hydrogen 2.911 N/A ILE 153.A N LEU 149.A O no hydrogen 2.846 N/A GLN 154.A N LEU 150.A O no hydrogen 3.193 N/A GLN 154.A NE2 GLU 187.A OE2 no hydrogen 2.611 N/A THR 155.A N VAL 151.A O no hydrogen 3.003 N/A THR 155.A OG1 VAL 151.A O no hydrogen 2.711 N/A THR 156.A N ILE 153.A O no hydrogen 3.370 N/A THR 156.A OG1 LEU 152.A O no hydrogen 2.751 N/A SER 157.A N THR 156.A OG1 no hydrogen 2.797 N/A SER 157.A OG VAL 69.A O no hydrogen 2.708 N/A GLU 158.A N ILE 153.A O no hydrogen 3.159 N/A ALA 159.A N GLN 154.A O no hydrogen 3.244 N/A ALA 160.A N THR 156.A O no hydrogen 2.906 N/A ARG 161.A N SER 157.A O no hydrogen 3.073 N/A ARG 161.A NH1 GLU 158.A OE1 no hydrogen 3.021 N/A ARG 161.A NH2 ASN 68.A O no hydrogen 2.807 N/A PHE 162.A N GLU 158.A O no hydrogen 3.007 N/A ARG 163.A N ASN 234.A O no hydrogen 2.878 N/A TYR 164.A N ASN 234.A OD1 no hydrogen 3.020 N/A GLU 166.A N PHE 162.A O no hydrogen 3.082 N/A LEU 167.A N ARG 163.A O no hydrogen 2.919 N/A GLN 168.A N TYR 164.A O no hydrogen 3.091 N/A ILE 169.A N ILE 165.A O no hydrogen 3.141 N/A ALA 170.A N GLU 166.A O no hydrogen 2.893 N/A ASN 171.A N LEU 167.A O no hydrogen 2.971 N/A ASN 172.A N ILE 169.A O no hydrogen 2.884 N/A ASN 172.A ND2 GLN 168.A O no hydrogen 2.854 N/A THR 175.A OG1 ASN 172.A OD1 no hydrogen 2.684 N/A LYS 176.A NZ GLU 124.A OE1 no hydrogen 3.053 N/A PHE 177.A N LEU 125.A O no hydrogen 3.020 N/A GLN 181.A NE2 GLU 121.A OE2 no hydrogen 2.983 N/A THR 182.A OG1 ILE 214.A O no hydrogen 3.355 N/A THR 182.A OG1 ASP 215.A O no hydrogen 2.739 N/A ILE 183.A N SER 180.A OG no hydrogen 3.333 N/A ILE 184.A N SER 180.A O no hydrogen 3.092 N/A SER 185.A N GLN 181.A O no hydrogen 2.861 N/A SER 185.A OG THR 182.A O no hydrogen 2.890 N/A LEU 186.A N THR 182.A O no hydrogen 3.191 N/A GLU 187.A N ILE 183.A O no hydrogen 3.067 N/A ASN 188.A N ILE 184.A O no hydrogen 2.907 N/A ASN 189.A N SER 185.A O no hydrogen 3.149 N/A ASN 189.A N LEU 186.A O no hydrogen 3.146 N/A TRP 190.A N GLU 187.A O no hydrogen 3.532 N/A TRP 190.A NE1 LEU 237.A O no hydrogen 2.850 N/A LEU 193.A N ASN 189.A O no hydrogen 2.851 N/A SER 194.A N TRP 190.A O no hydrogen 2.945 N/A SER 194.A OG TRP 190.A O no hydrogen 2.832 N/A LYS 195.A N SER 191.A O no hydrogen 2.912 N/A GLN 196.A N ALA 192.A O no hydrogen 2.990 N/A ILE 197.A N LEU 193.A O no hydrogen 2.942 N/A GLN 198.A N SER 194.A O no hydrogen 3.231 N/A GLN 198.A NE2 SER 194.A O no hydrogen 2.906 N/A GLN 198.A NE2 LEU 239.A O no hydrogen 2.783 N/A ILE 199.A N LYS 195.A O no hydrogen 2.945 N/A ALA 200.A N GLN 196.A O no hydrogen 2.833 N/A ASN 202.A N ILE 199.A O no hydrogen 3.064 N/A LYS 203.A N ALA 200.A O no hydrogen 2.846 N/A GLY 205.A N ALA 200.A O no hydrogen 2.966 N/A GLN 206.A N LYS 203.A O no hydrogen 3.116 N/A PHE 207.A N THR 224.A O no hydrogen 2.882 N/A THR 209.A N GLN 196.A OE1 no hydrogen 2.997 N/A VAL 211.A N ILE 223.A O no hydrogen 2.984 N/A LEU 213.A N VAL 221.A O no hydrogen 2.921 N/A ILE 214.A N SER 185.A OG no hydrogen 3.227 N/A ASP 215.A N ASN 219.A O no hydrogen 2.865 N/A GLY 218.A N ASP 215.A O no hydrogen 2.852 N/A ASN 219.A N ASP 215.A OD1 no hydrogen 2.856 N/A VAL 221.A N LEU 213.A O no hydrogen 2.897 N/A ILE 223.A N VAL 211.A O no hydrogen 2.814 N/A VAL 226.A N GLY 205.A O no hydrogen 3.002 N/A THR 227.A N ASN 225.A OD1 no hydrogen 3.044 N/A THR 227.A OG1 ASN 225.A OD1 no hydrogen 2.645 N/A SER 228.A N ASN 225.A O no hydrogen 3.482 N/A VAL 231.A N SER 228.A O no hydrogen 2.975 N/A THR 232.A N SER 228.A O no hydrogen 3.035 N/A THR 232.A OG1 SER 228.A O no hydrogen 3.435 N/A THR 232.A OG1 GLN 233.A OE1 no hydrogen 3.348 N/A GLN 233.A N ASN 229.A O no hydrogen 2.907 N/A ILE 235.A N VAL 230.A O no hydrogen 2.998 N/A GLN 236.A N ARG 161.A O no hydrogen 2.801 N/A LEU 238.A N PRO 35.A O no hydrogen 2.883 N/A LEU 239.A N SER 194.A OG no hydrogen 2.973 N/A ASN 240.A ND2 LEU 37.A O no hydrogen 2.982 N/A ILE 241.A N GLN 198.A OE1 no hydrogen 3.046 N/A GLY 242.A N ASN 240.A OD1 no hydrogen 3.087 N/A ALA 243.A N ASN 240.A O no hydrogen 2.910 N/A THR 244.A N ILE 241.A O no hydrogen 3.137 N/A THR 244.A OG1 ILE 241.A O no hydrogen 2.787 N/A