Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 2iwd_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): TYR 3.A N LYS 45.A O no hydrogen 2.888 N/A VAL 7.A N THR 5.A OG1 no hydrogen 3.267 N/A LYS 10.A N TYR 36.A O no hydrogen 2.869 N/A LYS 10.A NZ SER 37.A OG no hydrogen 3.183 N/A LEU 12.A N ILE 38.A O no hydrogen 2.706 N/A LEU 15.A N LEU 12.A O no hydrogen 3.215 N/A ALA 16.A N ASN 13.A O no hydrogen 3.250 N/A TYR 18.A N LEU 15.A O no hydrogen 2.910 N/A PHE 19.A N ALA 16.A O no hydrogen 2.917 N/A LYS 20.A N PRO 17.A O no hydrogen 3.321 N/A PHE 22.A N PHE 19.A O no hydrogen 2.782 N/A ASP 23.A N LYS 222.A O no hydrogen 2.774 N/A SER 25.A N HIS 220.A O no hydrogen 2.885 N/A SER 25.A OG TYR 39.A O no hydrogen 2.895 N/A SER 25.A OG ASN 40.A O no hydrogen 3.184 N/A PHE 26.A N TYR 39.A O no hydrogen 3.161 N/A VAL 27.A N ALA 218.A O no hydrogen 2.891 N/A LEU 28.A N SER 37.A O no hydrogen 2.780 N/A TYR 29.A N TYR 216.A O no hydrogen 2.683 N/A ASN 30.A N ALA 35.A O no hydrogen 2.903 N/A GLU 31.A N THR 214.A O no hydrogen 2.922 N/A ARG 32.A N ASN 213.A OD1 no hydrogen 2.787 N/A ARG 32.A NH1 GLU 33.A OE1 no hydrogen 3.014 N/A ARG 32.A NH2 ASP 212.A OD1 no hydrogen 3.273 N/A ARG 32.A NH2 ASP 212.A OD2 no hydrogen 3.395 N/A GLU 33.A N ASN 30.A OD1 no hydrogen 3.228 N/A GLN 34.A N ASN 30.A O no hydrogen 2.650 N/A ALA 35.A N ASN 30.A O no hydrogen 3.228 N/A TYR 36.A OH ASN 152.A OD1 no hydrogen 2.390 N/A SER 37.A N LEU 28.A O no hydrogen 2.730 N/A ILE 38.A N LYS 10.A O no hydrogen 2.980 N/A TYR 39.A N PHE 26.A O no hydrogen 2.714 N/A ASN 40.A ND2 GLY 24.A O no hydrogen 2.776 N/A GLU 43.A N ASN 40.A OD1 no hydrogen 3.242 N/A SER 44.A N ASN 40.A O no hydrogen 2.832 N/A SER 44.A OG GLU 41.A O no hydrogen 2.652 N/A LYS 45.A N GLU 41.A O no hydrogen 3.213 N/A LYS 45.A N PRO 42.A O no hydrogen 3.224 N/A LYS 45.A NZ THR 5.A O no hydrogen 3.442 N/A LYS 45.A NZ GLU 41.A OE2 no hydrogen 2.801 N/A GLN 46.A N GLU 43.A O no hydrogen 3.333 N/A ARG 47.A N ASP 1.A O no hydrogen 2.841 N/A ARG 47.A NE GLU 149.A OE1 no hydrogen 2.813 N/A ARG 47.A NH1 GLU 149.A OE1 no hydrogen 3.491 N/A ARG 47.A NH1 GLU 149.A OE2 no hydrogen 2.623 N/A ARG 47.A NH2 ASP 1.A OD1 no hydrogen 2.611 N/A TYR 48.A N ILE 145.A O no hydrogen 2.946 N/A TYR 48.A OH GLU 43.A OE1 no hydrogen 2.465 N/A SER 49.A OG TRP 138.A O no hydrogen 2.961 N/A ASN 51.A ND2 GLU 140.A OE2 no hydrogen 2.739 N/A SER 52.A OG SER 100.A OG no hydrogen 3.331 N/A THR 53.A N PRO 50.A O no hydrogen 2.745 N/A THR 53.A OG1 PRO 50.A O no hydrogen 2.300 N/A TYR 54.A N ASN 51.A O no hydrogen 2.738 N/A TYR 54.A OH TYR 137.A OH no hydrogen 2.892 N/A LYS 55.A N SER 52.A O no hydrogen 2.980 N/A LYS 55.A NZ SER 100.A OG no hydrogen 2.758 N/A LYS 55.A NZ ASN 102.A OD1 no hydrogen 2.986 N/A TYR 57.A N TYR 54.A O no hydrogen 3.029 N/A LEU 58.A N TYR 54.A O no hydrogen 3.022 N/A ALA 59.A N LYS 55.A O no hydrogen 2.830 N/A LEU 60.A N ILE 56.A O no hydrogen 3.258 N/A MET 61.A N TYR 57.A O no hydrogen 2.826 N/A ALA 62.A N LEU 58.A O no hydrogen 2.944 N/A PHE 63.A N ALA 59.A O no hydrogen 2.949 N/A ASP 64.A N LEU 60.A O no hydrogen 2.992 N/A GLN 65.A N MET 61.A O no hydrogen 2.924 N/A GLN 65.A NE2 GLU 116.A OE2 no hydrogen 2.924 N/A ASN 66.A N PHE 63.A O no hydrogen 2.883 N/A ASN 66.A ND2 PHE 63.A O no hydrogen 3.336 N/A LEU 67.A N ALA 62.A O no hydrogen 2.812 N/A LEU 68.A N ALA 62.A O no hydrogen 3.098 N/A SER 69.A N HIS 72.A O no hydrogen 3.097 N/A HIS 72.A N SER 69.A O no hydrogen 2.882 N/A GLN 75.A N GLN 91.A O no hydrogen 2.827 N/A GLN 75.A NE2 TYR 104.A O no hydrogen 3.000 N/A TRP 77.A N ASP 90.A OD1 no hydrogen 3.115 N/A TRP 77.A NE1 HIS 80.A O no hydrogen 3.042 N/A HIS 80.A N ASP 78.A OD1 no hydrogen 3.106 N/A TYR 82.A N ASN 88.A OD1 no hydrogen 2.788 N/A TRP 87.A N PHE 84.A O no hydrogen 3.287 N/A TRP 87.A NE1 TYR 99.A O no hydrogen 2.836 N/A ASN 88.A N LYS 85.A O no hydrogen 2.970 N/A ASN 88.A ND2 TYR 82.A O no hydrogen 3.421 N/A GLN 89.A NE2 GLU 86.A O no hydrogen 3.445 N/A GLN 91.A N GLN 75.A O no hydrogen 3.203 N/A GLN 91.A NE2 GLU 86.A O no hydrogen 3.027 N/A GLN 91.A NE2 TRP 87.A O no hydrogen 3.542 N/A GLN 91.A NE2 GLN 89.A O no hydrogen 2.797 N/A ASN 92.A N SER 95.A OG no hydrogen 3.018 N/A LEU 93.A N THR 73.A OG1 no hydrogen 3.270 N/A SER 95.A N ASN 92.A OD1 no hydrogen 2.973 N/A SER 95.A OG GLN 91.A OE1 no hydrogen 2.763 N/A SER 95.A OG ASN 92.A O no hydrogen 3.174 N/A SER 95.A OG ASN 92.A OD1 no hydrogen 3.249 N/A SER 96.A N ASN 92.A O no hydrogen 2.889 N/A SER 96.A OG ASN 92.A O no hydrogen 2.971 N/A SER 96.A OG LEU 93.A O no hydrogen 2.592 N/A SER 96.A OG TYR 105.A OH no hydrogen 2.635 N/A MET 97.A N LEU 93.A O no hydrogen 2.963 N/A LYS 98.A N ASN 94.A O no hydrogen 2.835 N/A TYR 99.A N SER 95.A O no hydrogen 2.744 N/A SER 100.A N MET 97.A O no hydrogen 3.284 N/A SER 100.A OG SER 52.A OG no hydrogen 3.331 N/A VAL 101.A N SER 96.A O no hydrogen 2.828 N/A TRP 103.A NE1 TRP 87.A O no hydrogen 3.080 N/A TYR 104.A N VAL 101.A O no hydrogen 3.012 N/A TYR 104.A OH THR 73.A O no hydrogen 2.427 N/A TYR 105.A N ASN 102.A O no hydrogen 2.985 N/A TYR 105.A OH SER 96.A OG no hydrogen 2.635 N/A GLU 106.A N ASN 102.A O no hydrogen 2.867 N/A ASN 107.A N TRP 103.A O no hydrogen 2.961 N/A ASN 107.A ND2 GLN 75.A OE1 no hydrogen 2.787 N/A LEU 108.A N TYR 104.A O no hydrogen 3.384 N/A ASN 109.A N TYR 105.A O no hydrogen 3.018 N/A LYS 110.A N GLU 106.A O no hydrogen 3.009 N/A HIS 111.A N ASN 107.A O no hydrogen 3.306 N/A HIS 111.A N LEU 108.A O no hydrogen 3.263 N/A HIS 111.A ND1 ASN 107.A O no hydrogen 2.848 N/A LEU 112.A N LEU 108.A O no hydrogen 3.238 N/A LEU 112.A N ASN 109.A O no hydrogen 3.152 N/A VAL 117.A N ARG 113.A O no hydrogen 2.987 N/A LYS 118.A N GLN 114.A O no hydrogen 2.693 N/A LYS 118.A NZ GLN 114.A OE1 no hydrogen 2.997 N/A SER 119.A N ASP 115.A O no hydrogen 2.946 N/A TYR 120.A N GLU 116.A O no hydrogen 2.820 N/A TYR 120.A OH ASP 64.A OD2 no hydrogen 2.457 N/A TYR 120.A OH GLN 65.A OE1 no hydrogen 3.076 N/A LEU 121.A N VAL 117.A O no hydrogen 2.952 N/A ASP 122.A N LYS 118.A O no hydrogen 2.977 N/A LEU 123.A N SER 119.A O no hydrogen 2.936 N/A ILE 124.A N TYR 120.A O no hydrogen 2.859 N/A TYR 126.A N LEU 121.A O no hydrogen 2.995 N/A GLY 127.A N GLU 125.A O no hydrogen 2.938 N/A ASN 128.A N LYS 144.A O no hydrogen 3.115 N/A ASN 128.A ND2 SER 142.A O no hydrogen 2.951 N/A GLU 129.A N TYR 126.A O no hydrogen 3.018 N/A GLU 130.A N ASN 128.A OD1 no hydrogen 3.254 N/A SER 132.A OG GLU 130.A OE1 no hydrogen 2.840 N/A GLY 133.A N SER 142.A OG no hydrogen 2.993 N/A TYR 137.A OH TYR 54.A OH no hydrogen 2.892 N/A TYR 137.A OH ASN 109.A OD1 no hydrogen 2.753 N/A ASN 139.A N ASN 136.A O no hydrogen 2.848 N/A ASN 139.A ND2 ASN 51.A OD1 no hydrogen 2.834 N/A GLU 140.A N SER 49.A OG no hydrogen 2.832 N/A GLU 140.A N ASN 51.A OD1 no hydrogen 3.276 N/A SER 141.A OG ASN 134.A OD1 no hydrogen 2.575 N/A SER 142.A N SER 141.A OG no hydrogen 2.668 N/A SER 142.A OG GLU 130.A O no hydrogen 2.740 N/A LEU 143.A N TYR 137.A O no hydrogen 3.278 N/A LYS 144.A N ASN 128.A OD1 no hydrogen 2.914 N/A ILE 145.A N TYR 48.A O no hydrogen 2.752 N/A SER 146.A N GLU 149.A OE1 no hydrogen 3.214 N/A SER 146.A OG GLU 149.A OE1 no hydrogen 2.774 N/A ILE 148.A N SER 44.A O no hydrogen 3.137 N/A GLU 149.A N SER 146.A OG no hydrogen 3.325 N/A GLN 150.A N SER 146.A O no hydrogen 2.914 N/A GLN 150.A NE2 THR 53.A OG1 no hydrogen 3.040 N/A VAL 151.A N ALA 147.A O no hydrogen 3.256 N/A ASN 152.A N ILE 148.A O no hydrogen 3.041 N/A LEU 153.A N GLU 149.A O no hydrogen 3.001 N/A LEU 154.A N GLN 150.A O no hydrogen 3.290 N/A LYS 155.A N VAL 151.A O no hydrogen 2.972 N/A ASN 156.A N ASN 152.A O no hydrogen 2.937 N/A MET 157.A N LEU 153.A O no hydrogen 2.794 N/A LYS 158.A N LEU 154.A O no hydrogen 2.942 N/A LYS 158.A NZ GLU 173.A OE1 no hydrogen 3.243 N/A LYS 158.A NZ GLU 173.A OE2 no hydrogen 2.656 N/A LYS 158.A NZ GLU 209.A OE1 no hydrogen 2.937 N/A GLN 159.A N LYS 155.A O no hydrogen 2.805 N/A GLN 159.A NE2 GLU 31.A OE2 no hydrogen 2.711 N/A HIS 160.A N MET 157.A O no hydrogen 2.936 N/A ASN 161.A N ASN 156.A O no hydrogen 2.725 N/A ASN 161.A ND2 ASN 156.A OD1 no hydrogen 3.479 N/A ILE 169.A N ASP 165.A O no hydrogen 2.934 N/A GLU 170.A N ASN 166.A O no hydrogen 2.849 N/A LYS 171.A N LYS 167.A O no hydrogen 2.845 N/A VAL 172.A N ALA 168.A O no hydrogen 2.908 N/A GLU 173.A N ILE 169.A O no hydrogen 2.846 N/A ASN 174.A N GLU 170.A O no hydrogen 2.835 N/A SER 175.A N LYS 171.A O no hydrogen 3.037 N/A SER 175.A OG VAL 172.A O no hydrogen 2.647 N/A MET 176.A N VAL 172.A O no hydrogen 3.267 N/A MET 176.A N GLU 173.A O no hydrogen 3.129 N/A THR 177.A N ASN 174.A O no hydrogen 3.170 N/A THR 177.A OG1 GLU 173.A O no hydrogen 2.854 N/A LEU 178.A N TYR 186.A O no hydrogen 2.691 N/A LYS 179.A N TYR 186.A O no hydrogen 3.103 N/A GLN 180.A NE2 LYS 181.A O no hydrogen 3.134 N/A LYS 181.A N TYR 184.A O no hydrogen 2.800 N/A LYS 181.A NZ TYR 184.A OH no hydrogen 3.035 N/A LYS 185.A N GLU 209.A O no hydrogen 2.751 N/A LYS 185.A NZ GLN 180.A OE1 no hydrogen 2.759 N/A TYR 186.A N LYS 179.A O no hydrogen 2.806 N/A TYR 186.A OH GLU 237.A OE2 no hydrogen 2.633 N/A VAL 187.A N TYR 207.A O no hydrogen 2.866 N/A GLY 188.A N MET 176.A O no hydrogen 2.881 N/A LYS 189.A N VAL 205.A O no hydrogen 2.745 N/A LYS 189.A NZ SER 100.A OG no hydrogen 2.981 N/A LYS 189.A NZ THR 190.A O no hydrogen 3.046 N/A GLY 191.A N TRP 203.A O no hydrogen 2.819 N/A GLY 193.A N ASN 201.A O no hydrogen 2.853 N/A VAL 195.A N LYS 198.A O no hydrogen 2.975 N/A LYS 198.A N VAL 195.A O no hydrogen 3.240 N/A GLU 199.A N ASP 225.A OD1 no hydrogen 3.345 N/A ALA 200.A N GLY 193.A O no hydrogen 2.996 N/A ASN 201.A ND2 SER 49.A O no hydrogen 3.043 N/A GLY 202.A N LEU 221.A O no hydrogen 2.805 N/A TRP 203.A N GLY 191.A O no hydrogen 2.655 N/A TRP 203.A NE1 SER 49.A O no hydrogen 2.687 N/A PHE 204.A N THR 219.A O no hydrogen 2.901 N/A VAL 205.A N LYS 189.A O no hydrogen 2.969 N/A GLY 206.A N PHE 217.A O no hydrogen 3.080 N/A TYR 207.A N VAL 187.A O no hydrogen 2.917 N/A TYR 207.A OH GLU 173.A OE2 no hydrogen 2.748 N/A VAL 208.A N TYR 215.A O no hydrogen 2.865 N/A GLU 209.A N LYS 185.A O no hydrogen 2.798 N/A THR 210.A N ASN 213.A O no hydrogen 2.775 N/A THR 210.A OG1 ASP 212.A OD1 no hydrogen 3.399 N/A THR 210.A OG1 ASN 213.A O no hydrogen 3.455 N/A ASN 213.A ND2 ASN 30.A OD1 no hydrogen 2.634 N/A ASN 213.A ND2 TYR 215.A OH no hydrogen 3.429 N/A THR 214.A N ASN 213.A OD1 no hydrogen 2.779 N/A TYR 215.A N VAL 208.A O no hydrogen 2.766 N/A TYR 216.A N TYR 29.A O no hydrogen 2.892 N/A TYR 216.A OH GLU 31.A OE2 no hydrogen 2.455 N/A PHE 217.A N GLY 206.A O no hydrogen 2.850 N/A ALA 218.A N VAL 27.A O no hydrogen 2.890 N/A THR 219.A N PHE 204.A O no hydrogen 2.787 N/A THR 219.A OG1 SER 236.A OG no hydrogen 2.422 N/A HIS 220.A N SER 25.A O no hydrogen 3.017 N/A HIS 220.A NE2 ASN 201.A OD1 no hydrogen 2.838 N/A LEU 221.A N GLY 202.A O no hydrogen 2.693 N/A LYS 222.A N ASP 23.A O no hydrogen 3.059 N/A LYS 222.A NZ TYR 48.A OH no hydrogen 3.480 N/A ASN 226.A N ASP 225.A OD1 no hydrogen 3.158 N/A ALA 227.A N GLU 199.A O no hydrogen 3.045 N/A ASN 228.A ND2 GLU 199.A OE1 no hydrogen 3.316 N/A ASN 228.A ND2 GLU 199.A OE2 no hydrogen 3.474 N/A GLY 229.A N THR 192.A OG1 no hydrogen 2.930 N/A LYS 231.A N ASN 228.A OD1 no hydrogen 2.767 N/A LYS 231.A NZ GLN 234.A OE1 no hydrogen 2.644 N/A ALA 232.A N ASN 228.A O no hydrogen 2.928 N/A GLN 233.A N GLY 229.A O no hydrogen 2.851 N/A GLN 233.A NE2 GLU 237.A OE2 no hydrogen 2.666 N/A GLN 234.A N GLU 230.A O no hydrogen 2.952 N/A ILE 235.A N LYS 231.A O no hydrogen 2.855 N/A SER 236.A N ALA 232.A O no hydrogen 2.955 N/A SER 236.A OG THR 219.A OG1 no hydrogen 2.422 N/A SER 236.A OG ALA 232.A O no hydrogen 2.526 N/A GLU 237.A N GLN 233.A O no hydrogen 2.787 N/A ARG 238.A N GLN 234.A O no hydrogen 3.167 N/A ILE 239.A N ILE 235.A O no hydrogen 3.090 N/A LEU 240.A N SER 236.A O no hydrogen 2.779 N/A LYS 241.A N GLU 237.A O no hydrogen 2.946 N/A GLU 242.A N ARG 238.A O no hydrogen 3.055 N/A MET 243.A N ILE 239.A O no hydrogen 3.169 N/A GLU 244.A N LYS 241.A O no hydrogen 2.638 N/A LEU 245.A N LEU 240.A O no hydrogen 2.999 N/A