Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 1nhe_B.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): CYS 4.A N ILE 45.A O no hydrogen 3.112 N/A SER 8.A OG ARG 76.A O no hydrogen 2.651 N/A LEU 10.A N SER 8.A OG no hydrogen 3.089 N/A VAL 12.A N ASP 126.A OD1 no hydrogen 2.554 N/A VAL 12.A N ASP 126.A OD2 no hydrogen 3.137 N/A GLY 13.A N ASP 126.A OD2 no hydrogen 2.465 N/A GLU 17.A N TYR 69.A OH no hydrogen 3.027 N/A LEU 26.A N ASP 23.A OD1 no hydrogen 3.111 N/A VAL 27.A N ASP 23.A O no hydrogen 2.806 N/A GLU 28.A N LEU 24.A O no hydrogen 2.492 N/A GLN 29.A N LYS 25.A O no hydrogen 2.941 N/A GLN 30.A N LEU 26.A O no hydrogen 2.741 N/A ASN 31.A N GLU 28.A O no hydrogen 2.932 N/A ASN 31.A ND2 VAL 27.A O no hydrogen 2.826 N/A VAL 34.A N ASN 31.A O no hydrogen 3.044 N/A LYS 35.A N ARG 39.A O no hydrogen 2.795 N/A GLY 37.A N TYR 249.A O no hydrogen 2.579 N/A GLY 38.A N LYS 35.A O no hydrogen 3.013 N/A GLY 38.A N PRO 250.A O no hydrogen 3.386 N/A ARG 39.A NH1 TYR 40.A O no hydrogen 3.301 N/A ARG 39.A NH1 ASP 80.A OD1 no hydrogen 3.202 N/A ARG 39.A NH1 TYR 81.A O no hydrogen 2.712 N/A ARG 39.A NH2 ASP 80.A OD1 no hydrogen 3.283 N/A TYR 40.A N TYR 81.A O no hydrogen 2.910 N/A THR 41.A OG1 ASP 80.A OD1 no hydrogen 2.392 N/A CYS 44.A SG GLN 78.A OE1 no hydrogen 3.808 N/A ILE 45.A N THR 2.A O no hydrogen 2.648 N/A SER 46.A OG GLN 78.A O no hydrogen 2.765 N/A HIS 48.A N SER 46.A OG no hydrogen 3.289 N/A LYS 49.A N ASN 113.A OD1 no hydrogen 2.948 N/A LYS 49.A NZ ASP 111.A OD1 no hydrogen 2.551 N/A VAL 50.A N ASP 80.A O no hydrogen 2.776 N/A ALA 51.A N CYS 114.A O no hydrogen 3.126 N/A ILE 52.A N GLY 82.A O no hydrogen 2.999 N/A ILE 53.A N VAL 116.A O no hydrogen 2.635 N/A ILE 54.A N TYR 84.A O no hydrogen 2.819 N/A PHE 56.A N ILE 86.A O no hydrogen 2.739 N/A ARG 57.A NH1 SER 92.A O no hydrogen 3.320 N/A ARG 57.A NH2 SER 92.A O no hydrogen 3.157 N/A ARG 59.A NE ASP 213.A OD1 no hydrogen 3.507 N/A ARG 59.A NH1 ASP 121.A OD2 no hydrogen 3.065 N/A ARG 59.A NH2 ASP 213.A OD2 no hydrogen 2.452 N/A GLN 60.A NE2 TYR 252.A OH no hydrogen 3.364 N/A LEU 63.A N ARG 59.A O no hydrogen 3.138 N/A LYS 64.A N GLN 60.A O no hydrogen 3.113 N/A LYS 64.A NZ GLU 61.A OE1 no hydrogen 2.820 N/A LYS 64.A NZ GLU 61.A OE2 no hydrogen 3.545 N/A TYR 65.A N GLU 61.A O no hydrogen 3.383 N/A TYR 65.A OH ILE 20.A O no hydrogen 2.992 N/A TRP 66.A N HIS 62.A O no hydrogen 2.862 N/A LEU 67.A N LEU 63.A O no hydrogen 2.825 N/A TYR 68.A N LYS 64.A O no hydrogen 2.987 N/A TYR 69.A N TYR 65.A O no hydrogen 3.078 N/A TYR 69.A OH GLU 17.A O no hydrogen 2.452 N/A LEU 70.A N TRP 66.A O no hydrogen 2.873 N/A HIS 71.A N LEU 67.A O no hydrogen 3.147 N/A HIS 71.A ND1 TYR 81.A OH no hydrogen 2.907 N/A HIS 71.A NE2 LEU 251.A O no hydrogen 2.876 N/A ILE 73.A N TYR 69.A O no hydrogen 3.424 N/A LEU 74.A N LEU 70.A O no hydrogen 2.656 N/A GLN 75.A N HIS 71.A O no hydrogen 3.150 N/A ARG 76.A N PRO 72.A O no hydrogen 3.047 N/A ARG 76.A NH2 ASP 126.A OD1 no hydrogen 3.251 N/A GLN 77.A N ILE 73.A O no hydrogen 3.000 N/A GLN 77.A NE2 ASP 126.A O no hydrogen 3.025 N/A GLN 77.A NE2 ASN 128.A O no hydrogen 3.215 N/A GLN 78.A N GLN 75.A O no hydrogen 2.786 N/A ASP 80.A N HIS 48.A O no hydrogen 3.001 N/A TYR 81.A N TYR 40.A O no hydrogen 2.946 N/A TYR 81.A OH HIS 71.A ND1 no hydrogen 2.907 N/A GLY 82.A N VAL 50.A O no hydrogen 3.054 N/A ILE 83.A N GLY 38.A O no hydrogen 2.814 N/A TYR 84.A N ILE 52.A O no hydrogen 2.929 N/A TYR 84.A OH ASP 109.A OD2 no hydrogen 2.972 N/A TYR 84.A OH TYR 112.A OH no hydrogen 2.478 N/A VAL 85.A N THR 253.A O no hydrogen 2.804 N/A ILE 86.A N ILE 54.A O no hydrogen 2.797 N/A ASN 87.A N ILE 255.A O no hydrogen 2.576 N/A ASN 87.A ND2 THR 256.A OG1 no hydrogen 2.991 N/A GLN 88.A N PHE 56.A O no hydrogen 2.849 N/A GLN 88.A NE2 SER 92.A O no hydrogen 3.267 N/A ALA 89.A N VAL 257.A O no hydrogen 2.974 N/A SER 92.A OG GLY 260.A O no hydrogen 3.375 N/A ASN 94.A N GLN 88.A OE1 no hydrogen 2.912 N/A ASN 94.A ND2 ASN 174.A O no hydrogen 2.827 N/A ARG 95.A NE ASP 119.A OD1 no hydrogen 2.691 N/A ARG 95.A NH1 GLU 182.A OE1 no hydrogen 2.659 N/A ARG 95.A NH2 ASP 119.A OD1 no hydrogen 3.193 N/A ARG 95.A NH2 GLY 157.A O no hydrogen 3.278 N/A LYS 97.A N ASN 94.A O no hydrogen 3.158 N/A LYS 97.A N ASN 94.A OD1 no hydrogen 3.181 N/A LYS 97.A NZ ILE 259.A O no hydrogen 2.882 N/A LEU 98.A N ASN 94.A O no hydrogen 3.166 N/A LEU 99.A N ARG 95.A O no hydrogen 3.044 N/A ASN 100.A N ALA 96.A O no hydrogen 3.065 N/A ASN 100.A ND2 PHE 172.A O no hydrogen 2.648 N/A ASN 100.A ND2 ASN 174.A OD1 no hydrogen 2.658 N/A VAL 101.A N LYS 97.A O no hydrogen 2.950 N/A GLY 102.A N LEU 98.A O no hydrogen 2.868 N/A PHE 103.A N LEU 99.A O no hydrogen 2.948 N/A LYS 104.A N ASN 100.A O no hydrogen 3.061 N/A GLU 105.A N VAL 101.A O no hydrogen 2.714 N/A ALA 106.A N GLY 102.A O no hydrogen 2.770 N/A LEU 107.A N PHE 103.A O no hydrogen 3.279 N/A LYS 108.A NZ GLU 105.A OE1 no hydrogen 3.249 N/A ASP 109.A N ALA 106.A O no hydrogen 2.998 N/A TYR 110.A OH ASP 80.A OD2 no hydrogen 2.262 N/A TYR 112.A N TYR 110.A O no hydrogen 2.946 N/A TYR 112.A OH TYR 84.A OH no hydrogen 2.478 N/A ASN 113.A N LYS 49.A O no hydrogen 2.973 N/A ASN 113.A ND2 PRO 47.A O no hydrogen 3.084 N/A CYS 114.A N LYS 49.A O no hydrogen 3.024 N/A PHE 115.A N LEU 161.A O no hydrogen 2.760 N/A VAL 116.A N ALA 51.A O no hydrogen 2.959 N/A PHE 117.A N SER 159.A O no hydrogen 2.703 N/A SER 118.A N ILE 53.A O no hydrogen 2.867 N/A SER 118.A OG ASP 119.A O no hydrogen 2.748 N/A ILE 123.A N ARG 207.A O no hydrogen 2.726 N/A HIS 127.A N ASN 125.A OD1 no hydrogen 2.917 N/A HIS 127.A ND1 ASN 125.A OD1 no hydrogen 3.052 N/A ASN 128.A N ASN 125.A O no hydrogen 2.984 N/A ASN 128.A ND2 ILE 139.A O no hydrogen 3.005 N/A THR 129.A N HIS 127.A O no hydrogen 2.763 N/A THR 129.A OG1 HIS 127.A O no hydrogen 3.212 N/A TYR 130.A N GLN 77.A OE1 no hydrogen 2.963 N/A ARG 131.A NH2 CYS 132.A O no hydrogen 2.542 N/A ARG 137.A N ALA 160.A O no hydrogen 2.820 N/A ARG 137.A NH2 SER 197.A OG no hydrogen 2.654 N/A HIS 138.A N SER 197.A O no hydrogen 3.117 N/A HIS 138.A NE2 GLY 156.A O no hydrogen 2.961 N/A ILE 139.A N VAL 158.A O no hydrogen 2.722 N/A SER 140.A N VAL 158.A O no hydrogen 3.312 N/A VAL 141.A N ILE 139.A O no hydrogen 2.604 N/A ALA 142.A N GLY 204.A O no hydrogen 3.015 N/A GLY 146.A N ASP 143.A O no hydrogen 2.936 N/A SER 148.A N PHE 145.A O no hydrogen 3.077 N/A TYR 151.A OH ASP 184.A OD1 no hydrogen 2.597 N/A GLN 153.A N GLN 153.A OE1 no hydrogen 2.567 N/A TYR 154.A N TYR 151.A O no hydrogen 2.960 N/A VAL 158.A N SER 140.A OG no hydrogen 2.742 N/A SER 159.A N PHE 117.A O no hydrogen 2.961 N/A ALA 160.A N ARG 137.A O no hydrogen 2.637 N/A LEU 161.A N PHE 115.A O no hydrogen 2.916 N/A SER 162.A N GLN 165.A OE1 no hydrogen 2.900 N/A LYS 163.A N ASN 113.A O no hydrogen 2.759 N/A GLN 165.A N SER 162.A OG no hydrogen 3.012 N/A GLN 165.A NE2 PHE 133.A O no hydrogen 3.121 N/A PHE 166.A N SER 162.A O no hydrogen 2.996 N/A LEU 167.A N LYS 163.A O no hydrogen 2.882 N/A SER 168.A N GLN 164.A O no hydrogen 2.960 N/A SER 168.A OG GLN 164.A O no hydrogen 3.543 N/A SER 168.A OG GLN 165.A O no hydrogen 2.735 N/A ILE 169.A N PHE 166.A O no hydrogen 3.166 N/A ASN 170.A N LEU 167.A O no hydrogen 2.943 N/A GLY 171.A N PHE 166.A O no hydrogen 2.965 N/A PHE 172.A N ASN 100.A OD1 no hydrogen 2.908 N/A ASN 174.A N ASP 235.A OD1 no hydrogen 2.820 N/A ASN 174.A N ASP 235.A OD2 no hydrogen 3.219 N/A ASN 174.A ND2 GLY 236.A O no hydrogen 2.956 N/A ASN 175.A N ASP 235.A OD2 no hydrogen 3.307 N/A TYR 176.A OH ASP 185.A OD1 no hydrogen 2.927 N/A GLY 178.A N PHE 93.A O no hydrogen 2.848 N/A TRP 179.A N GLU 217.A O no hydrogen 2.676 N/A ASP 183.A N ASP 183.A OD1 no hydrogen 2.462 N/A ASP 185.A N GLY 181.A O no hydrogen 2.882 N/A ILE 186.A N GLU 182.A O no hydrogen 3.024 N/A TYR 187.A N ASP 183.A O no hydrogen 3.022 N/A ASN 188.A N ASP 184.A O no hydrogen 2.889 N/A ASN 188.A ND2 THR 229.A OG1 no hydrogen 3.114 N/A ARG 189.A N ASP 185.A O no hydrogen 2.757 N/A ARG 189.A NE ASP 185.A OD2 no hydrogen 2.782 N/A ARG 189.A NH1 ILE 169.A O no hydrogen 3.204 N/A ARG 189.A NH1 GLY 171.A O no hydrogen 3.043 N/A ARG 189.A NH1 ASP 235.A O no hydrogen 3.109 N/A ARG 189.A NH2 ASP 235.A O no hydrogen 2.604 N/A LEU 190.A N ILE 186.A O no hydrogen 2.999 N/A ALA 191.A N TYR 187.A O no hydrogen 3.173 N/A PHE 192.A N ASN 188.A O no hydrogen 3.007 N/A ARG 193.A N LEU 190.A O no hydrogen 2.879 N/A GLY 194.A N ALA 191.A O no hydrogen 2.771 N/A SER 195.A N GLN 135.A OE1 no hydrogen 2.584 N/A SER 195.A OG GLN 135.A OE1 no hydrogen 3.380 N/A SER 197.A N PRO 136.A O no hydrogen 2.831 N/A ARG 198.A NE HIS 138.A ND1 no hydrogen 3.042 N/A ARG 198.A NH1 VAL 152.A O no hydrogen 3.454 N/A ARG 198.A NH2 VAL 152.A O no hydrogen 3.113 N/A ARG 198.A NH2 TYR 154.A O no hydrogen 2.727 N/A GLY 204.A N ASN 200.A O no hydrogen 2.964 N/A CYS 206.A N ALA 142.A O no hydrogen 2.698 N/A CYS 206.A SG GLY 204.A O no hydrogen 3.329 N/A ARG 207.A N ILE 123.A O no hydrogen 2.793 N/A HIS 210.A ND1 SER 211.A O no hydrogen 3.206 N/A LYS 215.A N GLU 217.A OE1 no hydrogen 3.268 N/A ASN 219.A N TRP 179.A O no hydrogen 2.787 N/A GLN 221.A N ASN 219.A OD1 no hydrogen 3.097 N/A ARG 222.A N ASN 219.A O no hydrogen 3.413 N/A ARG 222.A NH1 ASN 219.A O no hydrogen 2.557 N/A ARG 225.A N GLN 221.A O no hydrogen 2.926 N/A ARG 225.A NH1 GLN 221.A OE1 no hydrogen 2.719 N/A ILE 226.A N ARG 222.A O no hydrogen 2.865 N/A ALA 227.A N ASP 224.A O no hydrogen 3.145 N/A HIS 228.A N ARG 225.A O no hydrogen 3.047 N/A THR 229.A OG1 ASP 185.A OD1 no hydrogen 2.690 N/A THR 229.A OG1 ILE 226.A O no hydrogen 3.335 N/A THR 232.A N HIS 228.A O no hydrogen 2.849 N/A THR 232.A OG1 HIS 228.A O no hydrogen 3.053 N/A SER 234.A N THR 232.A O no hydrogen 3.023 N/A SER 234.A OG THR 232.A O no hydrogen 3.325 N/A ASP 235.A N THR 232.A O no hydrogen 2.806 N/A GLY 236.A N SER 239.A OG no hydrogen 2.931 N/A LEU 237.A N ASN 170.A O no hydrogen 2.752 N/A ASN 238.A ND2 LEU 233.A O no hydrogen 3.072 N/A SER 239.A N GLY 236.A O no hydrogen 3.147 N/A SER 239.A OG SER 234.A O no hydrogen 3.166 N/A SER 239.A OG GLY 236.A O no hydrogen 3.394 N/A LEU 240.A N LEU 237.A O no hydrogen 3.272 N/A TYR 242.A OH GLU 105.A OE1 no hydrogen 2.459 N/A LEU 244.A N THR 256.A O no hydrogen 2.978 N/A GLN 247.A N LYS 254.A O no hydrogen 2.799 N/A ARG 248.A NH1 ASP 109.A OD2 no hydrogen 2.797 N/A ARG 248.A NH1 THR 253.A OG1 no hydrogen 2.958 N/A ARG 248.A NH2 ASP 109.A OD1 no hydrogen 3.051 N/A ARG 248.A NH2 ASP 109.A OD2 no hydrogen 3.405 N/A TYR 249.A N TYR 252.A O no hydrogen 2.870 N/A TYR 249.A OH GLN 247.A OE1 no hydrogen 2.687 N/A THR 253.A N ILE 83.A O no hydrogen 3.219 N/A THR 253.A OG1 GLY 37.A O no hydrogen 2.931 N/A LYS 254.A N GLN 247.A O no hydrogen 2.870 N/A ILE 255.A N VAL 85.A O no hydrogen 2.829 N/A THR 256.A N GLU 245.A O no hydrogen 2.856 N/A VAL 257.A N ASN 87.A O no hydrogen 2.962 N/A GLY 260.A N ASP 258.A OD1 no hydrogen 3.426 N/A