Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3u1w_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ILE 3.A N PHE 25.A O no hydrogen 2.855 N/A VAL 9.A N LEU 6.A O no hydrogen 2.864 N/A GLU 10.A N LEU 6.A O no hydrogen 2.914 N/A ASN 11.A N PRO 7.A O no hydrogen 2.812 N/A ALA 12.A N PRO 8.A O no hydrogen 3.048 N/A PHE 13.A N VAL 9.A O no hydrogen 2.839 N/A GLN 14.A N GLU 10.A O no hydrogen 2.854 N/A GLU 15.A N ASN 11.A O no hydrogen 2.939 N/A LYS 16.A N ALA 12.A O no hydrogen 2.977 N/A TYR 17.A N PHE 13.A O no hydrogen 2.847 N/A TYR 17.A OH GLU 54.A OE1 no hydrogen 2.629 N/A ALA 20.A N TYR 17.A O no hydrogen 2.999 N/A LYS 21.A N ASN 37.A O no hydrogen 2.833 N/A VAL 24.A N ASP 35.A O no hydrogen 2.907 N/A GLU 26.A N VAL 33.A O no hydrogen 2.868 N/A GLU 28.A N TYR 31.A O no hydrogen 2.974 N/A TYR 31.A N GLU 28.A O no hydrogen 3.261 N/A TYR 32.A N PHE 47.A O no hydrogen 2.823 N/A VAL 33.A N GLU 26.A O no hydrogen 2.784 N/A VAL 34.A N ALA 45.A O no hydrogen 2.883 N/A ASP 35.A N VAL 24.A O no hydrogen 2.958 N/A PHE 36.A N THR 43.A O no hydrogen 2.849 N/A ASN 37.A N LYS 21.A O no hydrogen 2.962 N/A ASN 38.A N SER 41.A O no hydrogen 2.992 N/A SER 41.A N ASN 38.A O no hydrogen 3.055 N/A THR 43.A N PHE 36.A O no hydrogen 2.789 N/A THR 43.A OG1 SER 41.A O no hydrogen 2.958 N/A THR 44.A N LYS 55.A O no hydrogen 2.921 N/A THR 44.A OG1 ASP 35.A OD1 no hydrogen 2.674 N/A ALA 45.A N VAL 34.A O no hydrogen 2.963 N/A PHE 47.A N TYR 32.A O no hydrogen 2.850 N/A THR 48.A N ILE 52.A O no hydrogen 2.905 N/A GLY 51.A N THR 48.A O no hydrogen 2.868 N/A ILE 52.A N THR 48.A OG1 no hydrogen 3.092 N/A TRP 53.A NE1 TYR 17.A OH no hydrogen 3.046 N/A LYS 55.A N THR 44.A O no hydrogen 2.833 N/A LYS 55.A NZ ASP 127.A OD2 no hydrogen 2.674 N/A ILE 56.A N ALA 86.A O no hydrogen 2.799 N/A ASP 57.A N GLU 42.A O no hydrogen 2.956 N/A ILE 58.A N THR 84.A O no hydrogen 3.110 N/A SER 59.A N GLN 62.A OE1 no hydrogen 3.032 N/A SER 59.A OG GLN 62.A OE1 no hydrogen 3.263 N/A GLN 62.A N SER 59.A O no hydrogen 3.027 N/A LEU 63.A N PHE 60.A O no hydrogen 3.077 N/A VAL 67.A N PRO 64.A O no hydrogen 2.846 N/A SER 68.A N PRO 64.A O no hydrogen 3.128 N/A SER 68.A OG PRO 64.A O no hydrogen 3.534 N/A SER 68.A OG ALA 65.A O no hydrogen 3.097 N/A THR 69.A N ALA 65.A O no hydrogen 2.884 N/A THR 69.A OG1 ALA 65.A O no hydrogen 2.941 N/A ALA 70.A N ALA 66.A O no hydrogen 2.966 N/A PHE 71.A N VAL 67.A O no hydrogen 2.949 N/A LYS 72.A N SER 68.A O no hydrogen 2.989 N/A GLN 73.A N THR 69.A O no hydrogen 2.985 N/A GLN 73.A N ALA 70.A O no hydrogen 3.176 N/A SER 74.A N PHE 71.A O no hydrogen 3.069 N/A SER 74.A OG PHE 71.A O no hydrogen 2.667 N/A TYR 76.A N SER 74.A OG no hydrogen 3.080 N/A SER 77.A N SER 74.A O no hydrogen 3.197 N/A TRP 79.A N TYR 76.A O no hydrogen 2.872 N/A THR 80.A N GLU 100.A O no hydrogen 2.893 N/A ASP 82.A N GLU 98.A O no hydrogen 2.704 N/A ASP 83.A N GLU 98.A O no hydrogen 3.445 N/A THR 84.A OG1.B ILE 58.A O no hydrogen 2.598 N/A TYR 85.A N LYS 96.A O no hydrogen 2.838 N/A ALA 86.A N ILE 56.A O no hydrogen 2.913 N/A ILE 87.A N VAL 94.A O no hydrogen 2.677 N/A ASN 88.A N GLU 54.A O no hydrogen 3.020 N/A ASN 88.A ND2 GLU 54.A OE2 no hydrogen 2.790 N/A ARG 89.A NE ALA 128.A O no hydrogen 3.093 N/A ARG 89.A NH2 ALA 128.A O no hydrogen 2.941 N/A GLY 92.A N LEU 148.A O no hydrogen 2.845 N/A VAL 94.A N ILE 87.A O no hydrogen 2.912 N/A TYR 95.A N TYR 110.A O no hydrogen 2.925 N/A LYS 96.A N TYR 85.A O no hydrogen 2.820 N/A LYS 96.A NZ GLU 98.A OE2 no hydrogen 2.983 N/A LYS 96.A NZ ASP 107.A OD2 no hydrogen 3.246 N/A LYS 96.A NZ TYR 109.A OH no hydrogen 3.310 N/A LYS 96.A NZ ASN 126.A OD1 no hydrogen 2.823 N/A LYS 96.A NZ ASP 127.A OD2 no hydrogen 2.702 N/A ILE 97.A N LEU 108.A O no hydrogen 2.795 N/A GLU 98.A N ASP 83.A O no hydrogen 2.827 N/A ALA 99.A N VAL 106.A O no hydrogen 2.958 N/A GLU 100.A N THR 80.A O no hydrogen 2.823 N/A GLN 101.A N SER 104.A O no hydrogen 3.121 N/A GLN 101.A NE2 ASN 78.A O no hydrogen 3.661 N/A SER 104.A N GLN 101.A O no hydrogen 2.934 N/A VAL 106.A N ALA 99.A O no hydrogen 2.799 N/A ASP 107.A N VAL 120.A O no hydrogen 2.649 N/A LEU 108.A N ILE 97.A O no hydrogen 2.754 N/A TYR 109.A N LYS 118.A O no hydrogen 3.021 N/A TYR 109.A OH ASP 127.A OD1 no hydrogen 2.651 N/A TYR 110.A N TYR 95.A O no hydrogen 2.804 N/A SER 111.A N ASN 115.A O no hydrogen 2.908 N/A SER 111.A OG ASN 115.A OD1 no hydrogen 2.621 N/A TYR 113.A N SER 111.A OG no hydrogen 2.992 N/A GLY 114.A N SER 111.A O no hydrogen 2.997 N/A ASN 115.A N SER 111.A OG no hydrogen 2.985 N/A ILE 117.A N TYR 109.A O no hydrogen 2.683 N/A VAL 120.A N ASP 107.A O no hydrogen 2.989 N/A ASP 122.A N GLU 105.A O no hydrogen 3.015 N/A ASN 126.A ND2 ASP 107.A OD2 no hydrogen 2.889 N/A GLU 135.A N GLU 135.A OE1 no hydrogen 2.709 N/A VAL 136.A N PRO 133.A O no hydrogen 2.936 N/A SER 137.A N PRO 133.A O no hydrogen 3.025 N/A SER 137.A OG.B PRO 133.A O no hydrogen 3.484 N/A SER 137.A OG.B LYS 134.A O no hydrogen 2.991 N/A ASN 138.A N LYS 134.A O no hydrogen 2.870 N/A LEU 139.A N GLU 135.A O no hydrogen 3.083 N/A ILE 141.A N ASN 138.A O no hydrogen 3.207 N/A THR 142.A N LEU 139.A O no hydrogen 2.785 N/A ASN 145.A ND2 ASP 163.A OD1 no hydrogen 3.041 N/A ALA 146.A N PHE 143.A O no hydrogen 2.866 N/A GLU 147.A N ILE 162.A O no hydrogen 2.860 N/A LEU 149.A N ASP 161.A O no hydrogen 2.621 N/A ASP 150.A N ASP 161.A O no hydrogen 3.256 N/A ILE 151.A N ASP 150.A OD1 no hydrogen 2.798 N/A GLN 152.A N GLU 159.A O no hydrogen 2.876 N/A GLN 152.A NE2 ILE 117.A O no hydrogen 3.466 N/A GLN 152.A NE2 ASP 161.A OD2 no hydrogen 2.732 N/A ASN 154.A N GLY 157.A O no hydrogen 2.907 N/A ASN 154.A ND2 GLN 171.A OE1 no hydrogen 2.820 N/A GLY 157.A N ASN 154.A O no hydrogen 3.123 N/A TYR 158.A N LEU 172.A O no hydrogen 2.981 N/A GLU 159.A N GLN 152.A O no hydrogen 2.734 N/A LEU 160.A N ALA 170.A O no hydrogen 2.826 N/A ASP 161.A N ASP 150.A O no hydrogen 2.960 N/A ILE 162.A N GLU 147.A O no hydrogen 2.901 N/A ASP 163.A N ILE 166.A O no hydrogen 2.937 N/A ILE 166.A N ASP 163.A O no hydrogen 2.888 N/A LYS 168.A NZ ASP 163.A OD2 no hydrogen 3.000 N/A VAL 169.A N THR 182.A O no hydrogen 3.002 N/A ALA 170.A N LEU 160.A O no hydrogen 2.919 N/A GLN 171.A N SER 180.A O no hydrogen 2.871 N/A GLN 171.A NE2 ASN 154.A OD1 no hydrogen 2.848 N/A GLN 171.A NE2 LEU 172.A O no hydrogen 2.998 N/A LEU 172.A N TYR 158.A O no hydrogen 2.764 N/A ASN 173.A N ARG 177.A O no hydrogen 2.909 N/A LYS 174.A NZ SER 155.A O no hydrogen 2.943 N/A ASP 175.A N ASN 173.A OD1 no hydrogen 2.887 N/A TYR 176.A N ASN 173.A O no hydrogen 2.939 N/A ARG 177.A N ASN 173.A OD1 no hydrogen 2.862 N/A TRP 178.A NE1 THR 181.A OG1 no hydrogen 2.760 N/A GLN 179.A N GLN 171.A O no hydrogen 2.804 N/A GLN 179.A NE2 ARG 177.A O no hydrogen 3.033 N/A SER 180.A N GLN 171.A O no hydrogen 3.332 N/A THR 181.A N LEU 213.A O no hydrogen 2.928 N/A THR 182.A N VAL 169.A O no hydrogen 2.936 N/A THR 182.A OG1 THR 211.A O no hydrogen 2.869 N/A TRP 183.A N THR 211.A O no hydrogen 3.120 N/A SER 185.A N GLU 188.A OE1 no hydrogen 3.089 N/A GLN 187.A N GLN 187.A OE1 no hydrogen 2.807 N/A GLU 188.A N SER 185.A O no hydrogen 2.896 N/A VAL 189.A N GLU 186.A O no hydrogen 3.120 N/A GLN 191.A NE2 GLN 194.A OE1 no hydrogen 3.248 N/A GLY 195.A N ILE 192.A O no hydrogen 3.288 N/A PHE 196.A N VAL 193.A O no hydrogen 2.965 N/A SER 198.A N GLN 194.A O no hydrogen 3.024 N/A SER 198.A N GLY 195.A O no hydrogen 3.211 N/A SER 198.A OG.A GLN 194.A O no hydrogen 3.074 N/A SER 198.A OG.B GLN 194.A O no hydrogen 2.994 N/A SER 198.A OG.B GLY 195.A O no hydrogen 3.205 N/A SER 199.A N PHE 196.A O no hydrogen 2.989 N/A SER 199.A OG PHE 196.A O no hydrogen 2.757 N/A TYR 201.A N SER 199.A OG no hydrogen 3.177 N/A ALA 202.A N SER 199.A O no hydrogen 3.239 N/A ASP 204.A N TYR 201.A O no hydrogen 3.040 N/A LYS 205.A N SER 225.A O no hydrogen 3.206 N/A GLN 207.A N LYS 223.A O no hydrogen 2.746 N/A GLN 207.A NE2 SER 225.A OG no hydrogen 2.863 N/A SER 208.A N LYS 223.A O no hydrogen 3.266 N/A TYR 210.A N LEU 221.A O no hydrogen 2.900 N/A THR 211.A N TRP 183.A O no hydrogen 2.847 N/A LEU 212.A N PHE 219.A O no hydrogen 2.863 N/A LEU 213.A N THR 181.A O no hydrogen 2.794 N/A ASN 214.A N GLY 217.A O no hydrogen 3.022 N/A ASN 216.A N ASN 214.A OD1 no hydrogen 2.840 N/A GLY 217.A N ASN 214.A O no hydrogen 2.978 N/A PHE 219.A N LEU 212.A O no hydrogen 2.820 N/A TYR 220.A N PHE 235.A O no hydrogen 2.842 N/A LEU 221.A N TYR 210.A O no hydrogen 2.814 N/A PHE 222.A N ILE 233.A O no hydrogen 2.853 N/A LYS 223.A N SER 208.A O no hydrogen 2.872 N/A VAL 224.A N LYS 231.A O no hydrogen 2.878 N/A SER 225.A N LYS 205.A O no hydrogen 2.826 N/A HIS 226.A N GLN 229.A O no hydrogen 3.018 N/A GLN 229.A N HIS 226.A O no hydrogen 2.805 N/A GLN 229.A NE2 ASN 227.A O no hydrogen 3.599 N/A LYS 231.A N VAL 224.A O no hydrogen 2.924 N/A ILE 233.A N PHE 222.A O no hydrogen 2.744 N/A PHE 235.A N TYR 220.A O no hydrogen 2.746 N/A ASP 236.A N ASN 240.A O no hydrogen 2.888 N/A PHE 238.A N ASP 236.A OD1 no hydrogen 2.964 N/A GLY 239.A N ASP 236.A O no hydrogen 2.977 N/A ASN 240.A N ASP 236.A OD1 no hydrogen 3.001 N/A VAL 242.A N THR 234.A O no hydrogen 2.849 N/A