Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3nwi_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): HIS 1.A N GLU 104.A OE2 no hydrogen 2.827 N/A HIS 1.A ND1 GLU 104.A OE1 no hydrogen 2.829 N/A ILE 5.A N ILE 36.A O no hydrogen 3.225 N/A SER 8.A OG ASP 9.A OD1 no hydrogen 3.512 N/A ASN 11.A ND2 ASP 32.A OD1 no hydrogen 3.056 N/A PHE 17.A N HIS 45.A O no hydrogen 3.453 N/A TRP 19.A N TRP 43.A O no hydrogen 2.968 N/A LEU 20.A N LYS 28.A O no hydrogen 2.972 N/A LEU 21.A N PRO 41.A O no hydrogen 2.996 N/A ASP 22.A N GLY 26.A O no hydrogen 3.031 N/A ARG 24.A N ASP 22.A OD1 no hydrogen 2.800 N/A GLY 25.A N ASP 22.A OD1 no hydrogen 2.723 N/A GLY 26.A N ASP 22.A OD1 no hydrogen 2.688 N/A LYS 28.A N LEU 20.A O no hydrogen 3.256 N/A LYS 28.A NZ PRO 29.A O no hydrogen 3.423 N/A LYS 28.A NZ GLU 31.A OE1 no hydrogen 2.776 N/A LYS 28.A NZ ASP 34.A OD1 no hydrogen 3.298 N/A LYS 28.A NZ ASP 34.A OD2 no hydrogen 2.732 N/A LEU 30.A N ALA 18.A O no hydrogen 2.923 N/A GLU 31.A N ASP 34.A OD2 no hydrogen 2.992 N/A ASP 34.A N GLU 31.A O no hydrogen 3.358 N/A ILE 36.A N ILE 5.A O no hydrogen 3.289 N/A ASP 37.A N HIS 40.A O no hydrogen 3.234 N/A HIS 40.A N ASP 37.A OD1 no hydrogen 2.982 N/A CYS 42.A N ARG 105.A O no hydrogen 2.917 N/A CYS 42.A SG TRP 19.A O no hydrogen 3.781 N/A TRP 43.A N TRP 19.A O no hydrogen 2.695 N/A TRP 43.A NE1 SER 109.A OG no hydrogen 2.956 N/A LEU 44.A N ILE 107.A O no hydrogen 2.767 N/A HIS 45.A N PHE 17.A O no hydrogen 3.388 N/A HIS 45.A ND1 SER 109.A O no hydrogen 3.219 N/A HIS 45.A ND1 SER 109.A OG no hydrogen 2.744 N/A LEU 46.A N SER 109.A O no hydrogen 2.766 N/A TYR 48.A N ARG 111.A O no hydrogen 3.198 N/A THR 49.A N ASN 47.A OD1 no hydrogen 3.423 N/A HIS 50.A N ASN 47.A O no hydrogen 2.963 N/A ALA 54.A N HIS 50.A O no hydrogen 2.939 N/A ARG 55.A N PRO 51.A O no hydrogen 2.856 N/A TRP 56.A N ASP 52.A O no hydrogen 2.894 N/A LEU 57.A N SER 53.A O no hydrogen 2.870 N/A ALA 58.A N ALA 54.A O no hydrogen 3.094 N/A SER 59.A N ARG 55.A O no hydrogen 2.976 N/A SER 59.A OG ARG 55.A O no hydrogen 3.243 N/A SER 59.A OG TRP 56.A O no hydrogen 3.537 N/A THR 60.A N TRP 56.A O no hydrogen 3.036 N/A VAL 67.A N ASN 66.A OD1 no hydrogen 3.145 N/A ARG 68.A N ASN 65.A O no hydrogen 2.967 N/A ARG 68.A NH2 SER 59.A O no hydrogen 3.345 N/A ARG 68.A NH2 THR 60.A O no hydrogen 2.702 N/A LEU 71.A N VAL 67.A O no hydrogen 2.549 N/A ALA 72.A N ASP 69.A O no hydrogen 2.891 N/A GLY 73.A N ALA 70.A O no hydrogen 2.927 N/A SER 75.A OG THR 90.A OG1 no hydrogen 3.211 N/A ARG 79.A N THR 90.A O no hydrogen 3.122 N/A SER 81.A N LEU 88.A O no hydrogen 2.855 N/A MET 83.A N GLY 86.A O no hydrogen 3.143 N/A LEU 88.A N SER 81.A O no hydrogen 2.871 N/A ILE 89.A N LEU 100.A O no hydrogen 2.738 N/A THR 90.A N ARG 79.A O no hydrogen 2.834 N/A THR 90.A OG1 SER 75.A OG no hydrogen 3.211 N/A LEU 91.A N MET 98.A O no hydrogen 2.967 N/A ARG 92.A N GLN 191.A OE1 no hydrogen 2.570 N/A ARG 92.A NE SER 76.A O no hydrogen 3.156 N/A CYS 93.A N VAL 96.A O no hydrogen 3.041 N/A CYS 93.A SG LEU 145.A O no hydrogen 3.850 N/A CYS 93.A SG HIS 148.A ND1 no hydrogen 3.873 N/A ARG 99.A N THR 110.A O no hydrogen 3.034 N/A ARG 99.A NE SER 75.A OG no hydrogen 3.008 N/A ARG 99.A NH2 SER 75.A O no hydrogen 3.068 N/A LEU 100.A N ILE 89.A O no hydrogen 2.899 N/A TYR 101.A N VAL 108.A O no hydrogen 3.029 N/A MET 102.A N THR 87.A O no hydrogen 2.751 N/A ASP 103.A N PHE 106.A O no hydrogen 3.287 N/A ARG 105.A N ASP 103.A OD1 no hydrogen 2.791 N/A ARG 105.A NH1 GLU 3.A O no hydrogen 3.073 N/A ARG 105.A NH2 ASP 103.A OD2 no hydrogen 3.430 N/A PHE 106.A N ASP 103.A OD1 no hydrogen 3.293 N/A ILE 107.A N CYS 42.A O no hydrogen 2.770 N/A VAL 108.A N TYR 101.A O no hydrogen 3.054 N/A SER 109.A N LEU 44.A O no hydrogen 2.812 N/A SER 109.A OG LEU 44.A O no hydrogen 3.435 N/A SER 109.A OG HIS 45.A ND1 no hydrogen 2.744 N/A THR 110.A N ARG 99.A O no hydrogen 2.690 N/A THR 110.A OG1 LEU 71.A O no hydrogen 2.655 N/A ARG 111.A N LEU 46.A O no hydrogen 3.005 N/A LEU 118.A N VAL 115.A O no hydrogen 2.931 N/A ASP 119.A N LEU 116.A O no hydrogen 3.258 N/A ASP 120.A N LEU 116.A O no hydrogen 3.439 N/A VAL 122.A N LEU 118.A O no hydrogen 3.362 N/A SER 123.A N ASP 119.A O no hydrogen 2.734 N/A SER 123.A OG ASP 119.A O no hydrogen 3.396 N/A ASP 124.A N ASP 120.A O no hydrogen 3.141 N/A LEU 125.A N VAL 121.A O no hydrogen 3.004 N/A GLN 126.A N VAL 122.A O no hydrogen 2.736 N/A GLY 128.A N ASP 124.A O no hydrogen 2.842 N/A THR 129.A N ASP 124.A O no hydrogen 2.899 N/A GLY 130.A N GLY 25.A O no hydrogen 3.044 N/A CYS 134.A SG ASP 103.A O no hydrogen 3.385 N/A CYS 134.A SG GLU 104.A O no hydrogen 3.038 N/A GLY 136.A N ASP 133.A OD1 no hydrogen 3.155 N/A TRP 137.A N ASP 133.A O no hydrogen 3.142 N/A LEU 138.A N CYS 134.A O no hydrogen 2.976 N/A VAL 139.A N GLY 135.A O no hydrogen 3.220 N/A ASP 140.A N GLY 136.A O no hydrogen 2.850 N/A VAL 141.A N TRP 137.A O no hydrogen 2.804 N/A CYS 142.A N LEU 138.A O no hydrogen 3.041 N/A CYS 142.A SG LEU 138.A O no hydrogen 3.268 N/A ASP 143.A N VAL 139.A O no hydrogen 2.749 N/A ALA 144.A N ASP 140.A O no hydrogen 3.080 N/A LEU 145.A N VAL 141.A O no hydrogen 2.883 N/A THR 146.A N CYS 142.A O no hydrogen 3.135 N/A THR 146.A N ASP 143.A O no hydrogen 2.759 N/A THR 146.A OG1 CYS 142.A O no hydrogen 3.144 N/A ASP 147.A N ASP 143.A O no hydrogen 2.850 N/A HIS 148.A N ALA 144.A O no hydrogen 2.996 N/A ALA 149.A N LEU 145.A O no hydrogen 3.297 N/A SER 150.A N THR 146.A O no hydrogen 2.771 N/A GLU 151.A N ASP 147.A O no hydrogen 2.935 N/A PHE 152.A N HIS 148.A O no hydrogen 2.941 N/A ILE 153.A N ALA 149.A O no hydrogen 2.867 N/A GLU 154.A N SER 150.A O no hydrogen 3.194 N/A GLU 155.A N GLU 151.A O no hydrogen 2.992 N/A LEU 156.A N PHE 152.A O no hydrogen 3.254 N/A HIS 157.A N ILE 153.A O no hydrogen 2.970 N/A ASP 158.A N GLU 154.A O no hydrogen 2.706 N/A LYS 159.A N GLU 155.A O no hydrogen 3.020 N/A ILE 160.A N LEU 156.A O no hydrogen 2.793 N/A ILE 161.A N HIS 157.A O no hydrogen 2.787 N/A ILE 161.A N ASP 158.A O no hydrogen 3.305 N/A ASP 162.A N LYS 159.A O no hydrogen 3.107 N/A LEU 163.A N LYS 159.A O no hydrogen 3.054 N/A GLU 164.A N ILE 160.A O no hydrogen 3.209 N/A ASP 165.A N ASP 162.A O no hydrogen 2.732 N/A PHE 173.A N PRO 170.A O no hydrogen 3.147 N/A LEU 176.A N GLY 172.A O no hydrogen 3.480 N/A LEU 177.A N PHE 173.A O no hydrogen 3.344 N/A ARG 178.A N LEU 174.A O no hydrogen 3.196 N/A ARG 178.A NH1 THR 235.A OG1 no hydrogen 3.391 N/A LYS 179.A N ALA 175.A O no hydrogen 2.701 N/A GLN 180.A N LEU 176.A O no hydrogen 3.323 N/A GLN 180.A NE2 LEU 176.A O no hydrogen 2.919 N/A LEU 181.A N LEU 177.A O no hydrogen 2.848 N/A ILE 182.A N ARG 178.A O no hydrogen 2.997 N/A VAL 183.A N LYS 179.A O no hydrogen 2.841 N/A MET 184.A N GLN 180.A O no hydrogen 2.827 N/A ARG 185.A N LEU 181.A O no hydrogen 2.886 N/A ARG 186.A N ILE 182.A O no hydrogen 2.884 N/A TYR 187.A N MET 184.A O no hydrogen 3.031 N/A MET 188.A N MET 184.A O no hydrogen 2.665 N/A ALA 189.A N ARG 185.A O no hydrogen 3.259 N/A GLN 191.A N TYR 187.A O no hydrogen 3.279 N/A GLN 191.A NE2 ARG 92.A O no hydrogen 3.018 N/A GLN 191.A NE2 TYR 195.A OH no hydrogen 2.903 N/A ARG 192.A N MET 188.A O no hydrogen 3.266 N/A ARG 192.A N ALA 189.A O no hydrogen 3.049 N/A ASP 193.A N ALA 189.A O no hydrogen 3.208 N/A VAL 194.A N PRO 190.A O no hydrogen 3.081 N/A TYR 195.A N GLN 191.A O no hydrogen 3.059 N/A ALA 196.A N ARG 192.A O no hydrogen 2.835 N/A ARG 197.A N ASP 193.A O no hydrogen 2.859 N/A ARG 197.A NE GLU 201.A OE1 no hydrogen 2.641 N/A ARG 197.A NH2 GLU 201.A OE1 no hydrogen 2.698 N/A ARG 197.A NH2 GLU 201.A OE2 no hydrogen 2.885 N/A LEU 198.A N VAL 194.A O no hydrogen 3.004 N/A ALA 199.A N TYR 195.A O no hydrogen 3.114 N/A ALA 199.A N ALA 196.A O no hydrogen 3.108 N/A SER 200.A N ARG 197.A O no hydrogen 2.698 N/A GLU 201.A N ARG 197.A O no hydrogen 2.905 N/A MET 206.A N LEU 203.A O no hydrogen 3.405 N/A SER 207.A N HIS 210.A ND1 no hydrogen 3.185 N/A HIS 210.A N SER 207.A OG no hydrogen 2.950 N/A ARG 211.A N SER 207.A O no hydrogen 2.966 N/A ARG 211.A NE GLU 201.A O no hydrogen 3.597 N/A ARG 211.A NH2 LEU 203.A O no hydrogen 3.294 N/A ARG 212.A N ASP 208.A O no hydrogen 3.123 N/A ARG 213.A NH1 ASP 143.A OD2 no hydrogen 3.239 N/A ARG 213.A NH1 ASP 216.A OD2 no hydrogen 3.256 N/A ARG 213.A NH2 ASP 143.A OD2 no hydrogen 2.673 N/A MET 214.A N HIS 210.A O no hydrogen 2.976 N/A GLN 215.A N ARG 211.A O no hydrogen 2.955 N/A GLN 215.A NE2 ASP 219.A OD1 no hydrogen 3.141 N/A GLN 215.A NE2 ASP 219.A OD2 no hydrogen 3.326 N/A ASP 216.A N ARG 212.A O no hydrogen 3.100 N/A ILE 217.A N ARG 213.A O no hydrogen 2.952 N/A ALA 218.A N MET 214.A O no hydrogen 2.989 N/A ASP 219.A N GLN 215.A O no hydrogen 2.789 N/A ARG 220.A N ASP 216.A O no hydrogen 2.743 N/A ARG 220.A NH1 ASP 147.A OD1 no hydrogen 3.006 N/A ARG 220.A NH2 ASP 147.A OD1 no hydrogen 2.684 N/A LEU 221.A N ILE 217.A O no hydrogen 2.713 N/A GLY 222.A N ALA 218.A O no hydrogen 2.675 N/A ARG 223.A N ASP 219.A O no hydrogen 3.048 N/A GLY 224.A N ARG 220.A O no hydrogen 3.063 N/A LEU 225.A N LEU 221.A O no hydrogen 3.244 N/A ASP 226.A N GLY 222.A O no hydrogen 3.299 N/A GLU 227.A N ARG 223.A O no hydrogen 3.053 N/A ILE 228.A N GLY 224.A O no hydrogen 2.969 N/A ASP 229.A N LEU 225.A O no hydrogen 2.880 N/A ALA 230.A N ASP 226.A O no hydrogen 3.141 N/A CYS 231.A N GLU 227.A O no hydrogen 3.022 N/A ILE 232.A N ILE 228.A O no hydrogen 2.904 N/A ALA 233.A N ASP 229.A O no hydrogen 3.094 N/A ARG 234.A N ALA 230.A O no hydrogen 2.976 N/A ARG 234.A NH1 GLU 164.A OE2 no hydrogen 2.970 N/A THR 235.A N CYS 231.A O no hydrogen 3.135 N/A THR 235.A N ILE 232.A O no hydrogen 3.090 N/A THR 235.A OG1 ILE 232.A O no hydrogen 3.060 N/A GLY 236.A N ILE 232.A O no hydrogen 3.089 N/A MET 238.A N ARG 234.A O no hydrogen 3.257 N/A ASP 240.A N ILE 237.A O no hydrogen 3.090 N/A GLU 241.A N ILE 237.A O no hydrogen 3.104 N/A ALA 243.A N ALA 239.A O no hydrogen 3.290 N/A