Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 1nuq_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ARG 2.A NH1 HIS 32.A O no hydrogen 3.130 N/A ARG 2.A NH1 TYR 37.A O no hydrogen 2.750 N/A ILE 3.A N MET 36.A O no hydrogen 3.008 N/A VAL 5.A N GLN 38.A O no hydrogen 2.960 N/A VAL 6.A N GLU 107.A O no hydrogen 2.947 N/A LEU 7.A N GLN 41.A O no hydrogen 2.847 N/A LEU 8.A N LYS 109.A O no hydrogen 2.856 N/A ALA 9.A N ILE 43.A O no hydrogen 2.763 N/A CYS 10.A SG GLU 82.A OE1 no hydrogen 3.569 N/A GLY 11.A N SER 45.A O no hydrogen 3.481 N/A THR 17.A N HIS 20.A ND1 no hydrogen 2.870 N/A ASN 18.A N LEU 196.A O no hydrogen 2.936 N/A ASN 18.A ND2 TYR 195.A O no hydrogen 3.242 N/A HIS 20.A N THR 17.A OG1 no hydrogen 3.138 N/A LEU 21.A N THR 17.A O no hydrogen 3.236 N/A ARG 22.A N ASN 18.A O no hydrogen 2.809 N/A ARG 22.A NE GLU 172.A OE2 no hydrogen 2.344 N/A MET 23.A N MET 19.A O no hydrogen 3.144 N/A PHE 24.A N LEU 21.A O no hydrogen 3.019 N/A GLU 25.A N LEU 21.A O no hydrogen 3.429 N/A VAL 26.A N ARG 22.A O no hydrogen 2.915 N/A ALA 27.A N MET 23.A O no hydrogen 3.021 N/A ARG 28.A N PHE 24.A O no hydrogen 2.981 N/A ARG 28.A NH2 GLU 25.A OE1 no hydrogen 3.421 N/A ASP 29.A N GLU 25.A O no hydrogen 3.082 N/A HIS 30.A N VAL 26.A O no hydrogen 2.964 N/A LEU 31.A N ALA 27.A O no hydrogen 2.946 N/A HIS 32.A N ARG 28.A O no hydrogen 2.885 N/A GLN 33.A N ASP 29.A O no hydrogen 2.824 N/A THR 34.A N HIS 30.A O no hydrogen 3.255 N/A THR 34.A N LEU 31.A O no hydrogen 3.316 N/A THR 34.A OG1 LEU 31.A O no hydrogen 2.698 N/A GLY 35.A N HIS 32.A O no hydrogen 2.927 N/A MET 36.A N THR 34.A OG1 no hydrogen 3.142 N/A GLN 38.A N ILE 3.A O no hydrogen 3.042 N/A VAL 39.A N HIS 32.A NE2 no hydrogen 2.997 N/A ILE 40.A N VAL 5.A O no hydrogen 2.870 N/A GLY 42.A N TRP 75.A O no hydrogen 2.848 N/A ILE 43.A N LEU 7.A O no hydrogen 2.701 N/A ILE 44.A N ARG 77.A O no hydrogen 2.895 N/A SER 45.A N ALA 9.A O no hydrogen 2.860 N/A SER 45.A OG GLU 82.A OE1 no hydrogen 2.719 N/A VAL 47.A N GLY 11.A O no hydrogen 2.860 N/A ASN 48.A ND2 GLU 82.A O no hydrogen 3.670 N/A ASN 48.A ND2 GLN 85.A O no hydrogen 2.563 N/A THR 50.A N ASN 48.A OD1 no hydrogen 2.946 N/A THR 50.A OG1 ASN 48.A OD1 no hydrogen 3.442 N/A TYR 51.A N ASN 48.A O no hydrogen 3.252 N/A SER 59.A N ASP 49.A OD1 no hydrogen 2.959 N/A SER 59.A N ASP 49.A OD2 no hydrogen 3.179 N/A SER 59.A OG ASP 49.A OD2 no hydrogen 3.298 N/A HIS 61.A ND1 TYR 204.A OH no hydrogen 2.850 N/A ARG 62.A N ALA 58.A O no hydrogen 3.001 N/A ARG 62.A NE ALA 57.A O no hydrogen 2.686 N/A ARG 62.A NH1 SER 12.A O no hydrogen 3.004 N/A ARG 62.A NH1 VAL 47.A O no hydrogen 2.952 N/A ARG 62.A NH2 VAL 47.A O no hydrogen 2.906 N/A ARG 62.A NH2 ASP 49.A OD1 no hydrogen 2.742 N/A VAL 63.A N SER 59.A O no hydrogen 2.792 N/A ALA 64.A N HIS 60.A O no hydrogen 3.130 N/A MET 65.A N HIS 61.A O no hydrogen 2.817 N/A ALA 66.A N ARG 62.A O no hydrogen 3.035 N/A ARG 67.A N VAL 63.A O no hydrogen 2.909 N/A LEU 68.A N ALA 64.A O no hydrogen 2.955 N/A ALA 69.A N MET 65.A O no hydrogen 2.819 N/A LEU 70.A N ALA 66.A O no hydrogen 2.833 N/A GLN 71.A N LEU 68.A O no hydrogen 3.272 N/A THR 72.A OG1 ALA 69.A O no hydrogen 3.430 N/A SER 73.A N LEU 70.A O no hydrogen 2.928 N/A TRP 75.A N SER 73.A OG no hydrogen 3.181 N/A TRP 75.A NE1 GLU 25.A OE2 no hydrogen 2.953 N/A ILE 76.A N SER 73.A OG no hydrogen 3.016 N/A ARG 77.A N GLY 42.A O no hydrogen 2.954 N/A ARG 77.A NH1 ASP 79.A OD2 no hydrogen 2.977 N/A ARG 77.A NH2 ASP 79.A OD2 no hydrogen 3.368 N/A ASP 79.A N ILE 44.A O no hydrogen 2.806 N/A TRP 81.A N ASP 79.A OD1 no hydrogen 2.872 N/A SER 83.A OG PRO 80.A O no hydrogen 2.752 N/A GLU 84.A N PRO 80.A O no hydrogen 2.927 N/A GLU 84.A N TRP 81.A O no hydrogen 3.111 N/A GLN 85.A N GLU 82.A O no hydrogen 3.354 N/A TRP 88.A N THR 50.A OG1 no hydrogen 2.941 N/A GLU 90.A N GLU 90.A OE1 no hydrogen 2.953 N/A LYS 93.A N GLU 90.A O no hydrogen 2.953 N/A VAL 94.A N GLU 90.A O no hydrogen 3.439 N/A LEU 95.A N THR 91.A O no hydrogen 2.970 N/A ARG 96.A N VAL 92.A O no hydrogen 2.930 N/A ARG 96.A NE GLU 133.A OE2 no hydrogen 2.879 N/A ARG 96.A NH2 GLU 133.A OE1 no hydrogen 2.886 N/A HIS 97.A N LYS 93.A O no hydrogen 3.017 N/A HIS 98.A N VAL 94.A O no hydrogen 3.035 N/A HIS 99.A N LEU 95.A O no hydrogen 2.890 N/A SER 100.A N ARG 96.A O no hydrogen 3.037 N/A SER 100.A OG ARG 96.A O no hydrogen 3.411 N/A LYS 101.A N HIS 97.A O no hydrogen 2.990 N/A LEU 102.A N HIS 98.A O no hydrogen 3.187 N/A LEU 103.A N HIS 99.A O no hydrogen 3.195 N/A GLU 107.A N PRO 4.A O no hydrogen 2.892 N/A LYS 109.A N VAL 6.A O no hydrogen 2.968 N/A LYS 109.A NZ GLU 107.A OE1 no hydrogen 2.847 N/A LYS 109.A NZ PHE 138.A O no hydrogen 3.340 N/A LEU 110.A N GLY 139.A O no hydrogen 2.877 N/A LEU 111.A N LEU 8.A O no hydrogen 2.698 N/A CYS 112.A N VAL 141.A O no hydrogen 2.960 N/A CYS 112.A SG GLY 113.A O no hydrogen 3.433 N/A ALA 114.A N VAL 143.A O no hydrogen 2.892 N/A VAL 116.A N GLY 113.A O no hydrogen 3.102 N/A LYS 118.A N ALA 114.A O no hydrogen 3.163 N/A THR 119.A N ASP 115.A O no hydrogen 3.045 N/A THR 119.A OG1 VAL 116.A O no hydrogen 2.609 N/A PHE 120.A N LEU 117.A O no hydrogen 3.282 N/A GLN 121.A N LYS 118.A O no hydrogen 3.040 N/A THR 122.A N THR 119.A O no hydrogen 3.013 N/A THR 122.A OG1 THR 119.A O no hydrogen 3.199 N/A LEU 125.A N THR 122.A O no hydrogen 3.255 N/A TRP 126.A NE1 THR 119.A OG1 no hydrogen 2.991 N/A LYS 127.A NZ GLU 90.A OE2 no hydrogen 3.356 N/A HIS 130.A N LYS 127.A O no hydrogen 2.843 N/A ILE 131.A N LYS 127.A O no hydrogen 3.008 N/A GLN 132.A N ASP 128.A O no hydrogen 3.024 N/A GLU 133.A N ALA 129.A O no hydrogen 2.997 N/A ILE 134.A N HIS 130.A O no hydrogen 2.803 N/A VAL 135.A N ILE 131.A O no hydrogen 3.035 N/A GLU 136.A N GLN 132.A O no hydrogen 2.920 N/A LYS 137.A N GLU 133.A O no hydrogen 2.889 N/A PHE 138.A N ILE 134.A O no hydrogen 3.324 N/A GLY 139.A N ILE 134.A O no hydrogen 2.797 N/A LEU 140.A N ASN 166.A O no hydrogen 2.968 N/A VAL 141.A N LEU 110.A O no hydrogen 2.849 N/A CYS 142.A N HIS 168.A O no hydrogen 2.866 N/A VAL 143.A N CYS 112.A O no hydrogen 2.859 N/A GLY 144.A N ALA 170.A O no hydrogen 2.996 N/A ARG 145.A NE GLU 177.A OE1 no hydrogen 3.442 N/A ARG 145.A NH2 GLU 177.A OE1 no hydrogen 3.271 N/A VAL 146.A N GLU 177.A OE2 no hydrogen 2.904 N/A HIS 148.A N ARG 145.A O no hydrogen 3.095 N/A GLY 152.A N ASP 149.A OD2 no hydrogen 3.066 N/A TYR 153.A N ASP 149.A O no hydrogen 3.026 N/A ILE 154.A N PRO 150.A O no hydrogen 3.015 N/A ALA 155.A N LYS 151.A O no hydrogen 3.060 N/A GLU 156.A N GLY 152.A O no hydrogen 2.932 N/A SER 157.A N ILE 154.A O no hydrogen 3.256 N/A LEU 160.A N SER 157.A OG no hydrogen 3.236 N/A ARG 161.A N SER 157.A O no hydrogen 2.837 N/A MET 162.A N PRO 158.A O no hydrogen 2.986 N/A HIS 163.A N ILE 159.A O no hydrogen 3.252 N/A HIS 163.A N LEU 160.A O no hydrogen 3.191 N/A GLN 164.A N ARG 161.A O no hydrogen 3.356 N/A ASN 166.A N HIS 163.A O no hydrogen 2.904 N/A ILE 167.A N GLN 164.A O no hydrogen 2.940 N/A HIS 168.A N LEU 140.A O no hydrogen 2.784 N/A ALA 170.A N CYS 142.A O no hydrogen 2.854 N/A TYR 182.A N SER 179.A OG no hydrogen 2.956 N/A ILE 183.A N SER 179.A O no hydrogen 3.073 N/A ARG 184.A N ALA 180.A O no hydrogen 2.848 N/A ARG 184.A NH1 ASN 14.A O no hydrogen 2.754 N/A ARG 185.A N THR 181.A O no hydrogen 3.043 N/A ALA 186.A N TYR 182.A O no hydrogen 2.808 N/A LEU 187.A N ILE 183.A O no hydrogen 2.962 N/A GLY 188.A N ARG 184.A O no hydrogen 2.900 N/A GLN 189.A N ARG 185.A O no hydrogen 2.998 N/A GLN 189.A N ALA 186.A O no hydrogen 2.965 N/A GLY 190.A N LEU 187.A O no hydrogen 3.068 N/A GLN 191.A N ALA 186.A O no hydrogen 2.938 N/A LYS 194.A N SER 192.A OG no hydrogen 2.938 N/A LYS 194.A NZ ASP 199.A OD1 no hydrogen 2.701 N/A LEU 196.A N VAL 193.A O no hydrogen 2.994 N/A ILE 197.A N VAL 193.A O no hydrogen 3.411 N/A VAL 201.A N PRO 198.A O no hydrogen 2.895 N/A ILE 202.A N PRO 198.A O no hydrogen 3.139 N/A THR 203.A N ASP 199.A O no hydrogen 3.029 N/A THR 203.A OG1 ASP 199.A O no hydrogen 3.204 N/A TYR 204.A N ALA 200.A O no hydrogen 3.153 N/A TYR 204.A OH HIS 61.A ND1 no hydrogen 2.850 N/A ILE 205.A N VAL 201.A O no hydrogen 2.899 N/A LYS 206.A N ILE 202.A O no hydrogen 2.963 N/A ASP 207.A N THR 203.A O no hydrogen 2.836 N/A HIS 208.A N TYR 204.A O no hydrogen 2.950 N/A GLY 209.A N LYS 206.A O no hydrogen 3.286 N/A LEU 210.A N ILE 205.A O no hydrogen 2.949 N/A