Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 1nkh_B.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): CYS 4.A N ILE 47.A O no hydrogen 2.734 N/A SER 8.A OG ARG 78.A O no hydrogen 2.527 N/A LEU 10.A N SER 8.A OG no hydrogen 3.121 N/A VAL 12.A N ASP 130.A OD1 no hydrogen 2.477 N/A VAL 12.A N ASP 130.A OD2 no hydrogen 2.957 N/A GLY 13.A N ASP 130.A OD2 no hydrogen 2.708 N/A MET 15.A N MET 128.A O no hydrogen 2.815 N/A GLU 18.A N TYR 71.A OH no hydrogen 3.085 N/A LEU 27.A N ASP 24.A OD1 no hydrogen 2.947 N/A VAL 28.A N ASP 24.A O no hydrogen 2.671 N/A GLU 29.A N LEU 25.A O no hydrogen 2.599 N/A GLN 30.A N LYS 26.A O no hydrogen 3.107 N/A GLN 31.A N LEU 27.A O no hydrogen 3.063 N/A ASN 32.A N GLU 29.A O no hydrogen 3.153 N/A ASN 32.A ND2 VAL 28.A O no hydrogen 2.759 N/A VAL 35.A N ASN 32.A O no hydrogen 2.888 N/A LYS 36.A N ARG 40.A O no hydrogen 2.774 N/A GLY 38.A N TYR 258.A O no hydrogen 2.665 N/A GLY 39.A N LYS 36.A O no hydrogen 2.823 N/A ARG 40.A N LYS 36.A O no hydrogen 3.250 N/A ARG 40.A NH1 ASP 82.A OD1 no hydrogen 2.747 N/A ARG 40.A NH1 TYR 83.A O no hydrogen 3.150 N/A ARG 40.A NH2 ASP 82.A OD1 no hydrogen 3.357 N/A TYR 41.A N TYR 83.A O no hydrogen 2.919 N/A THR 42.A OG1 ASP 82.A OD1 no hydrogen 2.752 N/A CYS 46.A SG GLN 80.A OE1 no hydrogen 3.950 N/A ILE 47.A N THR 2.A O no hydrogen 2.858 N/A SER 48.A OG GLN 80.A O no hydrogen 2.979 N/A HIS 50.A N SER 48.A OG no hydrogen 3.125 N/A LYS 51.A N ASN 116.A OD1 no hydrogen 3.143 N/A LYS 51.A NZ ASP 114.A OD1 no hydrogen 3.062 N/A VAL 52.A N ASP 82.A O no hydrogen 2.924 N/A ALA 53.A N CYS 117.A O no hydrogen 3.025 N/A ILE 54.A N GLY 84.A O no hydrogen 2.966 N/A ILE 55.A N VAL 119.A O no hydrogen 2.606 N/A ILE 56.A N TYR 86.A O no hydrogen 2.762 N/A PHE 58.A N ILE 88.A O no hydrogen 2.952 N/A ARG 59.A NH1 SER 94.A O no hydrogen 3.275 N/A ARG 59.A NH2 SER 94.A O no hydrogen 3.175 N/A ARG 61.A NE ASP 220.A OD1 no hydrogen 3.225 N/A ARG 61.A NE ASP 220.A OD2 no hydrogen 3.326 N/A ARG 61.A NH1 ASP 124.A OD2 no hydrogen 3.245 N/A ARG 61.A NH2 ASP 220.A OD2 no hydrogen 2.683 N/A GLN 62.A NE2 TYR 261.A OH no hydrogen 3.529 N/A LEU 65.A N ARG 61.A O no hydrogen 3.001 N/A LYS 66.A N GLN 62.A O no hydrogen 3.158 N/A LYS 66.A N GLU 63.A O no hydrogen 3.141 N/A LYS 66.A NZ GLU 63.A OE1 no hydrogen 2.986 N/A LYS 66.A NZ GLU 63.A OE2 no hydrogen 3.481 N/A TYR 67.A N GLU 63.A O no hydrogen 3.425 N/A TYR 67.A OH ILE 21.A O no hydrogen 2.939 N/A TRP 68.A N HIS 64.A O no hydrogen 2.855 N/A LEU 69.A N LEU 65.A O no hydrogen 2.848 N/A TYR 70.A N LYS 66.A O no hydrogen 2.870 N/A TYR 71.A N TYR 67.A O no hydrogen 3.027 N/A TYR 71.A OH GLU 18.A O no hydrogen 2.500 N/A LEU 72.A N TRP 68.A O no hydrogen 2.963 N/A HIS 73.A N LEU 69.A O no hydrogen 3.172 N/A HIS 73.A ND1 TYR 83.A OH no hydrogen 2.754 N/A HIS 73.A NE2 LEU 260.A O no hydrogen 2.862 N/A LEU 76.A N LEU 72.A O no hydrogen 2.828 N/A GLN 77.A N HIS 73.A O no hydrogen 3.207 N/A ARG 78.A N PRO 74.A O no hydrogen 3.051 N/A ARG 78.A NH2 ASP 130.A OD1 no hydrogen 3.041 N/A GLN 79.A N ILE 75.A O no hydrogen 2.876 N/A GLN 79.A NE2 ASP 130.A O no hydrogen 2.906 N/A GLN 79.A NE2 ASN 132.A O no hydrogen 3.139 N/A GLN 80.A N GLN 77.A O no hydrogen 2.800 N/A LEU 81.A N LEU 76.A O no hydrogen 3.470 N/A ASP 82.A N HIS 50.A O no hydrogen 3.160 N/A TYR 83.A N TYR 41.A O no hydrogen 2.971 N/A TYR 83.A OH HIS 73.A ND1 no hydrogen 2.754 N/A GLY 84.A N VAL 52.A O no hydrogen 2.956 N/A ILE 85.A N GLY 39.A O no hydrogen 3.006 N/A TYR 86.A N ILE 54.A O no hydrogen 2.945 N/A TYR 86.A OH ASP 112.A OD2 no hydrogen 3.005 N/A TYR 86.A OH TYR 115.A OH no hydrogen 2.566 N/A VAL 87.A N THR 262.A O no hydrogen 2.833 N/A ILE 88.A N ILE 56.A O no hydrogen 3.017 N/A ASN 89.A N ILE 264.A O no hydrogen 2.745 N/A ASN 89.A ND2 THR 265.A OG1 no hydrogen 3.093 N/A GLN 90.A N PHE 58.A O no hydrogen 2.865 N/A GLN 90.A NE2 MET 95.A O no hydrogen 2.868 N/A ALA 91.A N VAL 266.A O no hydrogen 2.846 N/A PHE 96.A N LYS 222.A O no hydrogen 2.792 N/A ASN 97.A N GLN 90.A OE1 no hydrogen 3.139 N/A ASN 97.A ND2 ASN 179.A O no hydrogen 2.979 N/A ARG 98.A NE ASP 122.A OD1 no hydrogen 2.739 N/A ARG 98.A NH1 GLU 187.A OE1 no hydrogen 2.730 N/A ARG 98.A NH2 ASP 122.A OD1 no hydrogen 2.998 N/A ARG 98.A NH2 GLY 162.A O no hydrogen 3.353 N/A LYS 100.A N ASN 97.A OD1 no hydrogen 3.153 N/A LYS 100.A NZ ILE 268.A O no hydrogen 2.634 N/A LEU 101.A N ASN 97.A O no hydrogen 3.145 N/A LEU 101.A N ARG 98.A O no hydrogen 2.877 N/A LEU 102.A N ARG 98.A O no hydrogen 3.109 N/A ASN 103.A N ALA 99.A O no hydrogen 3.075 N/A ASN 103.A ND2 PHE 177.A O no hydrogen 2.688 N/A ASN 103.A ND2 ASN 179.A OD1 no hydrogen 2.679 N/A VAL 104.A N LYS 100.A O no hydrogen 3.169 N/A GLY 105.A N LEU 101.A O no hydrogen 2.894 N/A PHE 106.A N LEU 102.A O no hydrogen 2.974 N/A LYS 107.A N ASN 103.A O no hydrogen 3.129 N/A LYS 107.A NZ TYR 250.A OH no hydrogen 3.290 N/A GLU 108.A N VAL 104.A O no hydrogen 2.919 N/A ALA 109.A N GLY 105.A O no hydrogen 2.930 N/A LEU 110.A N PHE 106.A O no hydrogen 3.291 N/A LYS 111.A N GLU 108.A O no hydrogen 3.259 N/A LYS 111.A NZ GLU 108.A OE1 no hydrogen 2.900 N/A ASP 112.A N ALA 109.A O no hydrogen 3.000 N/A TYR 113.A N ALA 109.A O no hydrogen 3.305 N/A TYR 113.A OH ASP 82.A OD2 no hydrogen 2.391 N/A TYR 115.A N TYR 113.A O no hydrogen 2.938 N/A TYR 115.A OH TYR 86.A OH no hydrogen 2.566 N/A ASN 116.A N LYS 51.A O no hydrogen 2.927 N/A ASN 116.A ND2 PRO 49.A O no hydrogen 3.195 N/A CYS 117.A N LYS 51.A O no hydrogen 3.018 N/A PHE 118.A N LEU 166.A O no hydrogen 2.803 N/A VAL 119.A N ALA 53.A O no hydrogen 2.885 N/A PHE 120.A N SER 164.A O no hydrogen 2.838 N/A SER 121.A N ILE 55.A O no hydrogen 2.882 N/A SER 121.A OG ASP 122.A O no hydrogen 2.926 N/A ASP 122.A N GLY 162.A O no hydrogen 3.060 N/A ILE 126.A N ARG 213.A O no hydrogen 2.868 N/A MET 128.A N LYS 211.A O no hydrogen 2.705 N/A ASP 130.A N GLY 13.A O no hydrogen 3.092 N/A HIS 131.A N ASN 129.A OD1 no hydrogen 2.877 N/A ASN 132.A N ASN 129.A O no hydrogen 3.009 N/A ASN 132.A ND2 ILE 143.A O no hydrogen 2.967 N/A THR 133.A N HIS 131.A O no hydrogen 2.930 N/A THR 133.A OG1 HIS 131.A O no hydrogen 3.341 N/A TYR 134.A N GLN 79.A OE1 no hydrogen 2.912 N/A ARG 135.A NH2 CYS 136.A O no hydrogen 2.649 N/A ARG 141.A N ALA 165.A O no hydrogen 2.866 N/A ARG 141.A NH2 SER 203.A OG no hydrogen 2.779 N/A HIS 142.A N SER 203.A O no hydrogen 2.946 N/A HIS 142.A NE2 GLY 161.A O no hydrogen 2.897 N/A ILE 143.A N VAL 163.A O no hydrogen 2.690 N/A SER 144.A N VAL 163.A O no hydrogen 3.278 N/A SER 144.A OG GLY 161.A O no hydrogen 3.212 N/A SER 144.A OG VAL 163.A O no hydrogen 3.562 N/A ALA 146.A N GLY 210.A O no hydrogen 3.061 N/A ASP 148.A N CYS 212.A O no hydrogen 2.945 N/A PHE 150.A N MET 147.A O no hydrogen 2.880 N/A GLY 151.A N ASP 148.A O no hydrogen 2.955 N/A PHE 152.A N MET 147.A O no hydrogen 2.699 N/A SER 153.A N PHE 150.A O no hydrogen 3.304 N/A TYR 156.A OH ASP 189.A OD1 no hydrogen 2.546 N/A GLN 158.A N GLN 158.A OE1 no hydrogen 2.856 N/A TYR 159.A N TYR 156.A O no hydrogen 2.763 N/A VAL 163.A N SER 144.A OG no hydrogen 2.678 N/A SER 164.A N PHE 120.A O no hydrogen 3.017 N/A SER 164.A OG PHE 160.A O no hydrogen 3.097 N/A ALA 165.A N ARG 141.A O no hydrogen 2.768 N/A LEU 166.A N PHE 118.A O no hydrogen 2.858 N/A SER 167.A N GLN 170.A OE1 no hydrogen 2.984 N/A LYS 168.A N ASN 116.A O no hydrogen 3.094 N/A GLN 170.A N SER 167.A OG no hydrogen 2.923 N/A GLN 170.A NE2 PHE 137.A O no hydrogen 2.948 N/A PHE 171.A N SER 167.A O no hydrogen 2.807 N/A LEU 172.A N LYS 168.A O no hydrogen 2.760 N/A SER 173.A N GLN 169.A O no hydrogen 2.920 N/A SER 173.A OG GLN 170.A O no hydrogen 2.828 N/A ILE 174.A N PHE 171.A O no hydrogen 3.156 N/A ASN 175.A N LEU 172.A O no hydrogen 3.016 N/A GLY 176.A N PHE 171.A O no hydrogen 3.112 N/A PHE 177.A N ASN 103.A OD1 no hydrogen 2.976 N/A ASN 179.A N ASP 243.A OD1 no hydrogen 2.786 N/A ASN 179.A N ASP 243.A OD2 no hydrogen 2.838 N/A ASN 179.A ND2 GLY 244.A O no hydrogen 2.713 N/A ASN 180.A N ASP 243.A OD2 no hydrogen 2.935 N/A TYR 181.A OH ASP 190.A OD1 no hydrogen 2.893 N/A GLY 183.A N PHE 96.A O no hydrogen 2.770 N/A TRP 184.A N GLU 224.A O no hydrogen 2.752 N/A GLU 187.A N GLU 187.A OE2 no hydrogen 2.701 N/A ASP 188.A N ASP 188.A OD1 no hydrogen 2.522 N/A ASP 190.A N GLY 186.A O no hydrogen 2.953 N/A ILE 191.A N GLU 187.A O no hydrogen 3.015 N/A TYR 192.A N ASP 188.A O no hydrogen 2.877 N/A ASN 193.A N ASP 189.A O no hydrogen 2.856 N/A ASN 193.A ND2 THR 236.A OG1 no hydrogen 3.260 N/A ARG 194.A N ASP 190.A O no hydrogen 2.914 N/A ARG 194.A NE ASP 190.A OD2 no hydrogen 2.933 N/A ARG 194.A NH1 ILE 174.A O no hydrogen 3.112 N/A ARG 194.A NH1 GLY 176.A O no hydrogen 2.950 N/A ARG 194.A NH1 ASP 243.A O no hydrogen 3.147 N/A ARG 194.A NH2 ASP 243.A O no hydrogen 2.595 N/A LEU 195.A N ILE 191.A O no hydrogen 3.076 N/A LEU 195.A N TYR 192.A O no hydrogen 3.130 N/A ALA 196.A N TYR 192.A O no hydrogen 3.368 N/A PHE 197.A N ASN 193.A O no hydrogen 2.981 N/A ARG 198.A N LEU 195.A O no hydrogen 3.169 N/A ARG 198.A NH1 PHE 197.A O no hydrogen 3.165 N/A GLY 199.A N ALA 196.A O no hydrogen 2.952 N/A MET 200.A N LEU 195.A O no hydrogen 2.810 N/A SER 201.A N GLN 139.A OE1 no hydrogen 2.701 N/A SER 203.A N PRO 140.A O no hydrogen 2.845 N/A ARG 204.A NE HIS 142.A ND1 no hydrogen 2.940 N/A ARG 204.A NH1 VAL 157.A O no hydrogen 3.360 N/A ARG 204.A NH2 HIS 142.A ND1 no hydrogen 3.438 N/A ARG 204.A NH2 VAL 157.A O no hydrogen 3.041 N/A ARG 204.A NH2 TYR 159.A O no hydrogen 2.649 N/A GLY 210.A N ASN 206.A O no hydrogen 2.795 N/A LYS 211.A N VAL 208.A O no hydrogen 3.308 N/A CYS 212.A N ALA 146.A O no hydrogen 2.843 N/A CYS 212.A SG GLY 210.A O no hydrogen 3.749 N/A ARG 213.A N ILE 126.A O no hydrogen 2.856 N/A ARG 213.A NE ILE 17.A O no hydrogen 2.742 N/A ARG 213.A NH1 ASP 148.A OD2 no hydrogen 3.098 N/A MET 214.A N ASP 148.A OD1 no hydrogen 3.313 N/A ILE 215.A N ASP 124.A O no hydrogen 2.875 N/A ARG 216.A NH1 ASP 148.A OD1 no hydrogen 3.013 N/A HIS 217.A ND1 SER 218.A O no hydrogen 2.958 N/A LYS 222.A N GLU 224.A OE1 no hydrogen 3.077 N/A ASN 223.A N ASP 220.A O no hydrogen 3.112 N/A ASN 226.A N TRP 184.A O no hydrogen 2.739 N/A GLN 228.A N ASN 226.A OD1 no hydrogen 3.050 N/A ARG 229.A N ASN 226.A O no hydrogen 3.027 N/A ARG 229.A NH1 ASN 226.A O no hydrogen 2.961 N/A ASP 231.A N GLN 228.A O no hydrogen 2.911 N/A ARG 232.A N GLN 228.A O no hydrogen 2.961 N/A ILE 233.A N ARG 229.A O no hydrogen 2.893 N/A ALA 234.A N ASP 231.A O no hydrogen 3.348 N/A HIS 235.A N ARG 232.A O no hydrogen 2.956 N/A HIS 235.A ND1 ASP 231.A O no hydrogen 2.949 N/A THR 236.A OG1 ASP 190.A OD1 no hydrogen 2.696 N/A THR 236.A OG1 ILE 233.A O no hydrogen 3.202 N/A GLU 238.A N HIS 235.A O no hydrogen 3.048 N/A THR 239.A N HIS 235.A O no hydrogen 2.946 N/A THR 239.A OG1 HIS 235.A O no hydrogen 2.940 N/A THR 239.A OG1 THR 236.A O no hydrogen 3.529 N/A MET 240.A N THR 236.A O no hydrogen 2.841 N/A LEU 241.A N GLU 238.A O no hydrogen 3.233 N/A SER 242.A N THR 239.A O no hydrogen 3.104 N/A SER 242.A OG THR 239.A O no hydrogen 3.154 N/A ASP 243.A N THR 239.A O no hydrogen 2.721 N/A GLY 244.A N SER 247.A OG no hydrogen 2.941 N/A LEU 245.A N ASN 175.A O no hydrogen 2.746 N/A ASN 246.A ND2 LEU 241.A O no hydrogen 3.056 N/A SER 247.A N GLY 244.A O no hydrogen 3.046 N/A SER 247.A OG SER 242.A O no hydrogen 3.079 N/A SER 247.A OG GLY 244.A O no hydrogen 3.262 N/A LEU 248.A N LEU 245.A O no hydrogen 3.304 N/A TYR 250.A OH GLU 108.A OE1 no hydrogen 2.576 N/A MET 251.A N ASP 267.A O no hydrogen 3.063 N/A LEU 253.A N THR 265.A O no hydrogen 2.885 N/A GLU 254.A N THR 265.A O no hydrogen 3.346 N/A GLN 256.A N LYS 263.A O no hydrogen 2.791 N/A ARG 257.A NH1 ASP 112.A OD2 no hydrogen 2.770 N/A ARG 257.A NH1 THR 262.A OG1 no hydrogen 2.929 N/A ARG 257.A NH2 ASP 112.A OD1 no hydrogen 2.908 N/A ARG 257.A NH2 ASP 112.A OD2 no hydrogen 3.249 N/A TYR 258.A N TYR 261.A O no hydrogen 2.770 N/A TYR 258.A OH GLN 256.A OE1 no hydrogen 3.193 N/A TYR 261.A N TYR 258.A O no hydrogen 3.358 N/A THR 262.A N ILE 85.A O no hydrogen 3.134 N/A THR 262.A OG1 GLY 38.A O no hydrogen 2.755 N/A LYS 263.A N GLN 256.A O no hydrogen 2.808 N/A ILE 264.A N VAL 87.A O no hydrogen 2.691 N/A THR 265.A N GLU 254.A O no hydrogen 2.937 N/A VAL 266.A N ASN 89.A O no hydrogen 2.974 N/A ASP 267.A N MET 251.A O no hydrogen 2.713 N/A GLY 269.A N ASP 267.A OD1 no hydrogen 3.309 N/A SER 272.A OG THR 270.A O no hydrogen 3.533 N/A SER 272.A OG SER 272.A O no hydrogen 2.771 N/A