Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4nks_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ARG 6.A NE ASP 4.A OD1 no hydrogen 3.057 N/A ARG 6.A NH2 ASP 4.A OD2 no hydrogen 3.030 N/A TRP 7.A N ASP 4.A O no hydrogen 2.806 N/A GLU 8.A N ASP 4.A O no hydrogen 2.913 N/A LEU 9.A N ALA 73.A O no hydrogen 2.865 N/A ARG 11.A NE GLN 76.A O no hydrogen 2.705 N/A ARG 11.A NH1 PRO 79.A O no hydrogen 2.532 N/A ARG 11.A NH2 GLN 76.A O no hydrogen 3.097 N/A ARG 11.A NH2 PRO 79.A O no hydrogen 2.521 N/A ARG 13.A N PRO 10.A O no hydrogen 2.905 N/A ARG 13.A NH2 ASP 12.A O no hydrogen 2.600 N/A LEU 14.A N ARG 11.A O no hydrogen 3.155 N/A VAL 15.A N GLU 27.A O no hydrogen 2.781 N/A GLY 17.A N LEU 25.A O no hydrogen 2.836 N/A LEU 20.A N VAL 23.A O no hydrogen 2.652 N/A VAL 24.A N VAL 37.A O no hydrogen 2.995 N/A LEU 25.A N LYS 18.A O no hydrogen 2.720 N/A ALA 26.A N VAL 35.A O no hydrogen 2.809 N/A GLU 27.A N VAL 15.A O no hydrogen 2.948 N/A ALA 28.A N THR 33.A O no hydrogen 2.934 N/A ILE 29.A N ARG 13.A O no hydrogen 2.970 N/A THR 33.A N ALA 28.A O no hydrogen 2.725 N/A VAL 35.A N ALA 26.A O no hydrogen 2.836 N/A ALA 36.A N VAL 84.A O no hydrogen 3.221 N/A VAL 37.A N VAL 24.A O no hydrogen 2.913 N/A LYS 38.A N VAL 82.A O no hydrogen 2.930 N/A LYS 38.A NZ GLU 54.A OE1 no hydrogen 3.034 N/A MET 39.A N GLN 22.A O no hydrogen 3.075 N/A LYS 46.A N THR 44.A OG1 no hydrogen 2.637 N/A LEU 48.A N THR 44.A O no hydrogen 3.407 N/A SER 49.A N GLU 45.A O no hydrogen 2.657 N/A SER 49.A OG GLU 45.A O no hydrogen 3.466 N/A ASP 50.A N LYS 46.A O no hydrogen 2.572 N/A LEU 51.A N ASP 47.A O no hydrogen 2.971 N/A ILE 52.A N LEU 48.A O no hydrogen 3.080 N/A SER 53.A N SER 49.A O no hydrogen 2.927 N/A SER 53.A OG SER 49.A O no hydrogen 3.308 N/A GLU 54.A N ASP 50.A O no hydrogen 2.970 N/A MET 55.A N LEU 51.A O no hydrogen 3.163 N/A GLU 56.A N ILE 52.A O no hydrogen 2.859 N/A MET 57.A N SER 53.A O no hydrogen 2.902 N/A MET 58.A N GLU 54.A O no hydrogen 3.090 N/A LYS 59.A N MET 55.A O no hydrogen 2.959 N/A LYS 59.A NZ ASP 4.A OD2 no hydrogen 2.384 N/A LYS 59.A NZ GLU 56.A OE2 no hydrogen 2.618 N/A MET 60.A N GLU 56.A O no hydrogen 3.170 N/A MET 60.A N MET 57.A O no hydrogen 3.195 N/A ILE 61.A N MET 57.A O no hydrogen 3.061 N/A HIS 64.A N ASN 69.A OD1 no hydrogen 3.045 N/A ASN 66.A N HIS 64.A ND1 no hydrogen 3.048 N/A ASN 66.A ND2 GLN 115.A OE1 no hydrogen 3.515 N/A ASN 66.A ND2 MET 146.A O no hydrogen 2.858 N/A ILE 67.A N HIS 64.A O no hydrogen 3.484 N/A ILE 68.A N ILE 148.A O no hydrogen 2.948 N/A ASN 69.A N GLU 85.A OE1 no hydrogen 3.068 N/A ASN 69.A ND2 HIS 64.A O no hydrogen 2.824 N/A ASN 69.A ND2 GLU 85.A OE1 no hydrogen 2.755 N/A ASN 69.A ND2 GLU 85.A OE2 no hydrogen 3.328 N/A LEU 71.A N ILE 83.A O no hydrogen 2.807 N/A GLY 72.A N ILE 83.A O no hydrogen 3.147 N/A ALA 73.A N TRP 7.A O no hydrogen 3.060 N/A CYS 74.A N TYR 81.A O no hydrogen 2.788 N/A CYS 74.A SG LEU 9.A O no hydrogen 3.381 N/A THR 75.A N GLU 8.A OE2 no hydrogen 2.704 N/A THR 75.A OG1 GLU 8.A OE1 no hydrogen 2.336 N/A THR 75.A OG1 GLU 8.A OE2 no hydrogen 3.028 N/A GLN 76.A N GLU 8.A OE2 no hydrogen 3.288 N/A TYR 81.A N CYS 74.A O no hydrogen 2.764 N/A VAL 82.A N LYS 38.A O no hydrogen 3.119 N/A ILE 83.A N GLY 72.A O no hydrogen 3.136 N/A VAL 84.A N ALA 36.A O no hydrogen 3.036 N/A GLU 85.A N ASN 69.A O no hydrogen 3.005 N/A SER 88.A OG GLU 142.A OE1 no hydrogen 2.742 N/A LYS 89.A N VAL 140.A O no hydrogen 2.863 N/A LYS 89.A NZ GLU 142.A O no hydrogen 3.317 N/A LYS 89.A NZ ASN 144.A OD1 no hydrogen 3.186 N/A ASN 91.A N GLU 94.A OE1 no hydrogen 2.947 N/A LEU 92.A N ALA 135.A O no hydrogen 3.071 N/A LEU 92.A N VAL 138.A O no hydrogen 2.757 N/A ARG 93.A NH1 GLN 97.A OE1 no hydrogen 3.370 N/A GLU 94.A N ASN 91.A OD1 no hydrogen 2.730 N/A TYR 95.A N ASN 91.A O no hydrogen 3.047 N/A TYR 95.A OH ASN 144.A OD1 no hydrogen 3.199 N/A LEU 96.A N LEU 92.A O no hydrogen 2.950 N/A GLN 97.A N ARG 93.A O no hydrogen 2.924 N/A GLN 97.A NE2 GLY 200.A O no hydrogen 3.112 N/A ALA 98.A N GLU 94.A O no hydrogen 2.948 N/A ARG 99.A N LEU 96.A O no hydrogen 3.060 N/A ARG 99.A NH1 TYR 95.A O no hydrogen 2.969 N/A ARG 100.A N GLN 97.A O no hydrogen 3.098 N/A ARG 100.A NE LEU 199.A O no hydrogen 2.844 N/A ARG 100.A NH2 LEU 199.A O no hydrogen 2.976 N/A SER 105.A N ASP 108.A OD2 no hydrogen 2.863 N/A LYS 107.A NZ VAL 261.A O no hydrogen 2.822 N/A LYS 107.A NZ ALA 262.A O no hydrogen 2.997 N/A LYS 107.A NZ THR 264.A O no hydrogen 2.412 N/A ASP 108.A N SER 105.A OG no hydrogen 3.133 N/A LEU 109.A N SER 105.A O no hydrogen 3.141 N/A VAL 110.A N SER 106.A O no hydrogen 3.088 N/A SER 111.A N LYS 107.A O no hydrogen 2.741 N/A CYS 112.A N ASP 108.A O no hydrogen 2.960 N/A CYS 112.A SG ASP 108.A O no hydrogen 3.384 N/A ALA 113.A N LEU 109.A O no hydrogen 3.285 N/A TYR 114.A N VAL 110.A O no hydrogen 2.936 N/A GLN 115.A N SER 111.A O no hydrogen 3.081 N/A GLN 115.A N CYS 112.A O no hydrogen 3.153 N/A GLN 115.A NE2 SER 111.A O no hydrogen 3.567 N/A GLN 115.A NE2 SER 111.A OG no hydrogen 3.223 N/A VAL 116.A N CYS 112.A O no hydrogen 3.092 N/A ALA 117.A N ALA 113.A O no hydrogen 2.886 N/A ARG 118.A N TYR 114.A O no hydrogen 2.892 N/A GLY 119.A N GLN 115.A O no hydrogen 2.885 N/A MET 120.A N VAL 116.A O no hydrogen 2.944 N/A GLU 121.A N ALA 117.A O no hydrogen 2.858 N/A TYR 122.A N ARG 118.A O no hydrogen 3.177 N/A TYR 122.A OH ILE 61.A O no hydrogen 2.554 N/A LEU 123.A N GLY 119.A O no hydrogen 3.088 N/A ALA 124.A N MET 120.A O no hydrogen 2.829 N/A SER 125.A N GLU 121.A O no hydrogen 2.842 N/A SER 125.A OG TYR 122.A O no hydrogen 2.448 N/A LYS 126.A N TYR 122.A O no hydrogen 2.943 N/A LYS 127.A N ALA 124.A O no hydrogen 2.770 N/A CYS 128.A N LEU 123.A O no hydrogen 2.882 N/A CYS 128.A SG PHE 151.A O no hydrogen 3.361 N/A HIS 130.A N ASP 185.A OD2 no hydrogen 2.852 N/A HIS 130.A NE2 ALA 149.A O no hydrogen 2.774 N/A ARG 131.A N ASP 185.A OD1 no hydrogen 3.028 N/A ASP 132.A N HIS 130.A ND1 no hydrogen 3.087 N/A ALA 135.A N GLU 195.A OE2 no hydrogen 3.136 N/A ARG 136.A NH2 ASP 132.A OD2 no hydrogen 3.336 N/A ASN 137.A ND2 ASP 132.A O no hydrogen 2.628 N/A ASN 137.A ND2 ASP 132.A OD2 no hydrogen 2.891 N/A VAL 138.A N ALA 135.A O no hydrogen 3.100 N/A LEU 139.A N LYS 147.A O no hydrogen 2.817 N/A VAL 140.A N GLY 90.A O no hydrogen 2.913 N/A THR 141.A N VAL 145.A O no hydrogen 3.130 N/A ASN 144.A N THR 141.A O no hydrogen 2.801 N/A VAL 145.A N THR 141.A OG1 no hydrogen 3.058 N/A MET 146.A N GLN 115.A OE1 no hydrogen 2.985 N/A LYS 147.A N LEU 139.A O no hydrogen 2.872 N/A LYS 147.A NZ LYS 65.A O no hydrogen 2.719 N/A LYS 147.A NZ ILE 67.A O no hydrogen 3.371 N/A LYS 147.A NZ GLU 85.A OE1 no hydrogen 2.701 N/A LYS 147.A NZ GLU 85.A OE2 no hydrogen 3.396 N/A ILE 148.A N ASN 66.A O no hydrogen 3.038 N/A ALA 149.A N ASN 137.A O no hydrogen 2.872 N/A TYR 156.A OH LEU 175.A O no hydrogen 2.989 N/A THR 160.A N ARG 164.A O no hydrogen 2.726 N/A THR 160.A OG1 ARG 164.A O no hydrogen 3.153 N/A GLY 163.A N THR 160.A O no hydrogen 3.083 N/A ARG 164.A NH2 GLY 200.A O no hydrogen 3.020 N/A LYS 168.A N LEU 165.A O no hydrogen 3.208 N/A LYS 168.A NZ TYR 204.A O no hydrogen 2.619 N/A LYS 168.A NZ VAL 207.A O no hydrogen 2.698 N/A TRP 169.A N PRO 166.A O no hydrogen 2.892 N/A TRP 169.A NE1 GLU 195.A OE2 no hydrogen 2.783 N/A MET 170.A N VAL 167.A O no hydrogen 3.112 N/A GLU 173.A N GLU 173.A OE1 no hydrogen 2.938 N/A LEU 175.A N ALA 171.A O no hydrogen 2.806 N/A PHE 176.A N PRO 172.A O no hydrogen 2.702 N/A ASP 177.A N GLU 173.A O no hydrogen 2.859 N/A ILE 179.A N GLU 173.A O no hydrogen 3.175 N/A THR 181.A N SER 184.A OG no hydrogen 2.817 N/A THR 181.A OG1 GLN 183.A OE1 no hydrogen 2.771 N/A GLN 183.A N THR 181.A OG1 no hydrogen 2.879 N/A GLN 183.A N GLN 183.A OE1 no hydrogen 3.261 N/A SER 184.A N THR 181.A OG1 no hydrogen 3.244 N/A SER 184.A OG THR 181.A O no hydrogen 2.610 N/A ASP 185.A N THR 181.A O no hydrogen 3.181 N/A VAL 186.A N HIS 182.A O no hydrogen 2.997 N/A TRP 187.A N GLN 183.A O no hydrogen 3.214 N/A SER 188.A N SER 184.A O no hydrogen 3.084 N/A SER 188.A OG TRP 169.A O no hydrogen 2.648 N/A SER 188.A OG SER 184.A O no hydrogen 3.350 N/A PHE 189.A N ASP 185.A O no hydrogen 2.813 N/A GLY 190.A N VAL 186.A O no hydrogen 3.007 N/A VAL 191.A N TRP 187.A O no hydrogen 3.212 N/A LEU 192.A N SER 188.A O no hydrogen 2.926 N/A LEU 193.A N PHE 189.A O no hydrogen 2.842 N/A TRP 194.A N GLY 190.A O no hydrogen 3.201 N/A TRP 194.A NE1 ASP 223.A O no hydrogen 3.227 N/A GLU 195.A N VAL 191.A O no hydrogen 3.158 N/A ILE 196.A N LEU 192.A O no hydrogen 3.001 N/A PHE 197.A N LEU 193.A O no hydrogen 2.983 N/A THR 198.A N TRP 194.A O no hydrogen 2.894 N/A THR 198.A N GLU 195.A O no hydrogen 3.300 N/A THR 198.A OG1 TRP 194.A O no hydrogen 2.927 N/A THR 198.A OG1 GLU 195.A O no hydrogen 3.183 N/A LEU 199.A N ILE 196.A O no hydrogen 3.040 N/A GLY 200.A N GLU 195.A O no hydrogen 2.832 N/A GLY 201.A N THR 198.A OG1 no hydrogen 2.933 N/A VAL 207.A N TYR 204.A O no hydrogen 3.364 N/A LEU 212.A N PRO 208.A O no hydrogen 2.822 N/A PHE 213.A N VAL 209.A O no hydrogen 2.951 N/A LYS 214.A N GLU 210.A O no hydrogen 3.146 N/A LEU 215.A N GLU 211.A O no hydrogen 3.009 N/A LEU 216.A N LEU 212.A O no hydrogen 3.078 N/A LYS 217.A N PHE 213.A O no hydrogen 3.081 N/A GLU 218.A N LYS 214.A O no hydrogen 2.963 N/A GLY 219.A N LEU 216.A O no hydrogen 2.927 N/A HIS 220.A N LEU 215.A O no hydrogen 2.800 N/A ARG 221.A NE TRP 240.A O no hydrogen 3.040 N/A ARG 221.A NH1 HIS 220.A O no hydrogen 2.649 N/A ARG 221.A NH2 TRP 240.A O no hydrogen 2.778 N/A LYS 224.A NZ ASN 230.A OD1 no hydrogen 2.992 N/A CYS 228.A SG THR 229.A O no hydrogen 3.661 N/A LEU 232.A N THR 229.A OG1 no hydrogen 3.066 N/A TYR 233.A N THR 229.A O no hydrogen 3.060 N/A TYR 233.A OH MET 222.A O no hydrogen 2.520 N/A MET 234.A N ASN 230.A O no hydrogen 2.830 N/A MET 235.A N GLU 231.A O no hydrogen 2.919 N/A MET 236.A N LEU 232.A O no hydrogen 3.132 N/A ARG 237.A N TYR 233.A O no hydrogen 2.953 N/A ARG 237.A NH1 TYR 233.A OH no hydrogen 3.357 N/A ASP 238.A N MET 234.A O no hydrogen 2.856 N/A CYS 239.A N MET 235.A O no hydrogen 2.989 N/A CYS 239.A SG MET 235.A O no hydrogen 3.349 N/A TRP 240.A N ARG 237.A O no hydrogen 2.786 N/A HIS 241.A N ASP 238.A O no hydrogen 3.350 N/A GLN 246.A N VAL 243.A O no hydrogen 2.960 N/A GLN 246.A NE2 SER 245.A OG no hydrogen 3.158 N/A ARG 247.A N PRO 244.A O no hydrogen 3.231 N/A ARG 247.A NE HIS 241.A O no hydrogen 3.011 N/A ARG 247.A NH1 GLU 173.A OE2 no hydrogen 3.022 N/A ARG 247.A NH1 GLN 183.A O no hydrogen 2.738 N/A ARG 247.A NH2 GLU 173.A OE1 no hydrogen 3.050 N/A ARG 247.A NH2 HIS 241.A O no hydrogen 3.116 N/A THR 249.A N GLN 252.A OE1.A no hydrogen 3.106 N/A THR 249.A OG1 GLN 252.A OE1.A no hydrogen 3.316 N/A GLN 252.A N THR 249.A OG1 no hydrogen 3.132 N/A GLN 252.A NE2.B ASP 256.A OD1 no hydrogen 3.158 N/A GLN 252.A NE2.B ASP 256.A OD2 no hydrogen 3.362 N/A LEU 253.A N THR 249.A O no hydrogen 2.832 N/A VAL 254.A N PHE 250.A O no hydrogen 2.843 N/A GLU 255.A N LYS 251.A O no hydrogen 3.097 N/A ASP 256.A N GLN 252.A O no hydrogen 2.894 N/A LEU 257.A N LEU 253.A O no hydrogen 2.784 N/A ASP 258.A N VAL 254.A O no hydrogen 2.921 N/A ARG 259.A N GLU 255.A O no hydrogen 3.373 N/A ARG 259.A NH1 GLU 231.A OE2 no hydrogen 2.945 N/A ARG 259.A NH2 GLU 231.A OE2 no hydrogen 3.108 N/A ILE 260.A N ASP 256.A O no hydrogen 3.130 N/A VAL 261.A N LEU 257.A O no hydrogen 2.847 N/A ALA 262.A N ASP 258.A O no hydrogen 3.256 N/A LEU 263.A N ARG 259.A O no hydrogen 3.219 N/A THR 264.A N VAL 261.A O no hydrogen 2.919 N/A THR 264.A OG1 ILE 260.A O no hydrogen 2.792 N/A