Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3nf1_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): HIS 3.A NE2 GLU 8.A OE2 no hydrogen 2.736 N/A ARG 7.A N SER 4.A O no hydrogen 3.130 N/A GLU 8.A N SER 5.A O no hydrogen 3.365 N/A ASN 9.A ND2 ASN 69.A OD1 no hydrogen 2.738 N/A LEU 10.A N ARG 7.A O no hydrogen 3.019 N/A TYR 11.A N GLU 8.A O no hydrogen 3.105 N/A ILE 19.A N GLY 16.A O no hydrogen 2.744 N/A ARG 22.A NE ASP 52.A OD2 no hydrogen 3.485 N/A ARG 22.A NH2 GLN 48.A OE1 no hydrogen 2.981 N/A ARG 24.A N PRO 20.A O no hydrogen 3.151 N/A ARG 24.A NE GLY 16.A O no hydrogen 3.078 N/A ARG 24.A NH2 TYR 17.A O no hydrogen 3.470 N/A THR 25.A N ALA 21.A O no hydrogen 2.988 N/A THR 25.A OG1 ALA 21.A O no hydrogen 2.922 N/A LEU 26.A N ARG 22.A O no hydrogen 2.903 N/A HIS 27.A N LEU 23.A O no hydrogen 2.914 N/A HIS 27.A ND1 ASN 28.A OD1 no hydrogen 3.153 N/A HIS 27.A NE2 LEU 10.A O no hydrogen 2.801 N/A ASN 28.A N ARG 24.A O no hydrogen 3.045 N/A LEU 29.A N THR 25.A O no hydrogen 2.918 N/A VAL 30.A N LEU 26.A O no hydrogen 3.022 N/A ILE 31.A N HIS 27.A O no hydrogen 3.057 N/A GLN 32.A N ASN 28.A O no hydrogen 2.896 N/A TYR 33.A N LEU 29.A O no hydrogen 2.830 N/A ALA 34.A N VAL 30.A O no hydrogen 2.909 N/A SER 35.A N ILE 31.A O no hydrogen 2.989 N/A SER 35.A OG ILE 31.A O no hydrogen 2.805 N/A GLN 36.A N GLN 32.A O no hydrogen 3.466 N/A GLY 37.A N ALA 34.A O no hydrogen 2.950 N/A ARG 38.A N TYR 33.A O no hydrogen 3.113 N/A TYR 39.A N GLY 37.A O no hydrogen 2.930 N/A ALA 42.A N ARG 38.A O no hydrogen 3.281 N/A VAL 43.A N TYR 39.A O no hydrogen 3.252 N/A LEU 45.A N VAL 41.A O no hydrogen 3.443 N/A CYS 46.A N ALA 42.A O no hydrogen 3.142 N/A CYS 46.A SG MET 67.A O no hydrogen 3.303 N/A LYS 47.A N VAL 43.A O no hydrogen 2.844 N/A LYS 47.A NZ TYR 75.A OH no hydrogen 3.388 N/A GLN 48.A N PRO 44.A O no hydrogen 2.762 N/A ALA 49.A N LEU 45.A O no hydrogen 2.993 N/A LEU 50.A N CYS 46.A O no hydrogen 2.862 N/A GLU 51.A N LYS 47.A O no hydrogen 2.923 N/A ASP 52.A N GLN 48.A O no hydrogen 2.878 N/A LEU 53.A N ALA 49.A O no hydrogen 2.786 N/A GLU 54.A N LEU 50.A O no hydrogen 2.984 N/A LYS 55.A N GLU 51.A O no hydrogen 3.195 N/A THR 56.A N ASP 52.A O no hydrogen 3.347 N/A THR 56.A OG1 ASP 52.A O no hydrogen 2.889 N/A SER 57.A N LEU 53.A O no hydrogen 3.094 N/A SER 57.A OG LEU 53.A O no hydrogen 3.101 N/A GLY 58.A N GLU 54.A O no hydrogen 2.733 N/A HIS 59.A NE2 ASP 90.A OD1 no hydrogen 2.635 N/A HIS 61.A N HIS 59.A O no hydrogen 2.896 N/A HIS 61.A NE2 ASP 63.A OD2 no hydrogen 2.822 N/A VAL 64.A N HIS 61.A O no hydrogen 2.928 N/A ALA 65.A N HIS 61.A O no hydrogen 3.302 N/A THR 66.A N PRO 62.A O no hydrogen 3.096 N/A THR 66.A OG1 PRO 62.A O no hydrogen 2.782 N/A MET 67.A N ASP 63.A O no hydrogen 3.198 N/A LEU 68.A N VAL 64.A O no hydrogen 2.745 N/A ASN 69.A N ALA 65.A O no hydrogen 2.831 N/A ASN 69.A ND2 ASN 112.A OD1 no hydrogen 3.209 N/A ILE 70.A N THR 66.A O no hydrogen 3.071 N/A LEU 71.A N MET 67.A O no hydrogen 2.967 N/A ALA 72.A N LEU 68.A O no hydrogen 2.744 N/A LEU 73.A N ASN 69.A O no hydrogen 3.164 N/A VAL 74.A N ILE 70.A O no hydrogen 3.152 N/A TYR 75.A N LEU 71.A O no hydrogen 2.915 N/A ARG 76.A N ALA 72.A O no hydrogen 3.053 N/A ARG 76.A NH2 ASN 112.A O no hydrogen 3.305 N/A ASP 77.A N LEU 73.A O no hydrogen 3.198 N/A GLN 78.A N TYR 75.A O no hydrogen 3.081 N/A ASN 79.A N ARG 76.A O no hydrogen 3.133 N/A LYS 80.A N TYR 75.A O no hydrogen 2.841 N/A ALA 84.A N LYS 80.A O no hydrogen 3.123 N/A ALA 85.A N TYR 81.A O no hydrogen 3.055 N/A ASN 86.A N LYS 82.A O no hydrogen 3.123 N/A ASN 86.A N ASP 83.A O no hydrogen 3.203 N/A LEU 87.A N ASP 83.A O no hydrogen 3.130 N/A LEU 88.A N ALA 84.A O no hydrogen 3.081 N/A ASN 89.A N ALA 85.A O no hydrogen 3.197 N/A ASP 90.A N ASN 86.A O no hydrogen 2.990 N/A ALA 91.A N LEU 87.A O no hydrogen 2.717 N/A LEU 92.A N LEU 88.A O no hydrogen 2.780 N/A ALA 93.A N ASN 89.A O no hydrogen 2.779 N/A ILE 94.A N ASP 90.A O no hydrogen 3.165 N/A ARG 95.A N ALA 91.A O no hydrogen 3.187 N/A ARG 95.A NH1 ASN 69.A OD1 no hydrogen 2.807 N/A ARG 95.A NH2 ASN 9.A O no hydrogen 2.696 N/A GLU 96.A N LEU 92.A O no hydrogen 2.945 N/A LYS 97.A N ALA 93.A O no hydrogen 2.993 N/A LYS 97.A NZ ASP 60.A OD2 no hydrogen 2.796 N/A THR 98.A N ILE 94.A O no hydrogen 2.732 N/A THR 98.A OG1 ILE 94.A O no hydrogen 2.705 N/A LEU 99.A N ARG 95.A O no hydrogen 2.785 N/A ALA 105.A N HIS 103.A ND1 no hydrogen 3.104 N/A VAL 106.A N HIS 103.A O no hydrogen 2.872 N/A ALA 107.A N HIS 103.A O no hydrogen 3.293 N/A ALA 108.A N PRO 104.A O no hydrogen 3.034 N/A THR 109.A N ALA 105.A O no hydrogen 3.251 N/A THR 109.A OG1 ALA 105.A O no hydrogen 2.529 N/A LEU 110.A N VAL 106.A O no hydrogen 2.984 N/A ASN 111.A N ALA 107.A O no hydrogen 2.846 N/A ASN 111.A ND2 GLN 151.A OE1 no hydrogen 3.043 N/A ASN 112.A N THR 109.A O no hydrogen 3.150 N/A LEU 113.A N THR 109.A O no hydrogen 3.097 N/A ALA 114.A N LEU 110.A O no hydrogen 2.838 N/A VAL 115.A N ASN 111.A O no hydrogen 3.196 N/A LEU 116.A N ASN 112.A O no hydrogen 3.183 N/A TYR 117.A N LEU 113.A O no hydrogen 2.806 N/A GLY 118.A N ALA 114.A O no hydrogen 2.868 N/A LYS 119.A N VAL 115.A O no hydrogen 2.880 N/A ARG 120.A N TYR 117.A O no hydrogen 3.028 N/A GLY 121.A N GLY 118.A O no hydrogen 2.832 N/A LYS 122.A N TYR 117.A O no hydrogen 2.822 N/A GLU 125.A N LYS 122.A O no hydrogen 3.081 N/A ALA 126.A N LYS 122.A O no hydrogen 3.126 N/A GLU 127.A N TYR 123.A O no hydrogen 3.014 N/A CYS 130.A N ALA 126.A O no hydrogen 3.091 N/A LYS 131.A N GLU 127.A O no hydrogen 3.048 N/A LYS 131.A NZ GLU 127.A OE2 no hydrogen 3.099 N/A LYS 131.A NZ GLU 167.A OE1 no hydrogen 2.972 N/A ARG 132.A N PRO 128.A O no hydrogen 2.758 N/A ARG 132.A NH1 GLU 96.A OE1 no hydrogen 2.718 N/A ARG 132.A NH2 GLU 96.A OE1 no hydrogen 3.004 N/A ARG 132.A NH2 LYS 101.A O no hydrogen 3.007 N/A ALA 133.A N LEU 129.A O no hydrogen 3.053 N/A LEU 134.A N CYS 130.A O no hydrogen 3.076 N/A GLU 135.A N LYS 131.A O no hydrogen 2.988 N/A ILE 136.A N ARG 132.A O no hydrogen 2.959 N/A ARG 137.A N ALA 133.A O no hydrogen 2.827 N/A ARG 137.A NH2 ASP 147.A O no hydrogen 3.174 N/A GLU 138.A N LEU 134.A O no hydrogen 2.950 N/A LYS 139.A N GLU 135.A O no hydrogen 3.216 N/A VAL 140.A N ILE 136.A O no hydrogen 2.955 N/A LEU 141.A N ARG 137.A O no hydrogen 2.752 N/A GLY 142.A N GLU 138.A O no hydrogen 2.823 N/A HIS 145.A N GLY 142.A O no hydrogen 3.132 N/A ASP 147.A N HIS 145.A ND1 no hydrogen 2.976 N/A VAL 148.A N HIS 145.A O no hydrogen 2.867 N/A ALA 149.A N HIS 145.A O no hydrogen 3.168 N/A LYS 150.A N PRO 146.A O no hydrogen 2.890 N/A GLN 151.A N ASP 147.A O no hydrogen 3.131 N/A GLN 151.A NE2 ASN 111.A OD1 no hydrogen 2.863 N/A GLN 151.A NE2 CYS 130.A O no hydrogen 3.042 N/A LEU 152.A N VAL 148.A O no hydrogen 3.062 N/A ASN 153.A N ALA 149.A O no hydrogen 3.080 N/A ASN 153.A ND2 ALA 149.A O no hydrogen 3.356 N/A ASN 153.A ND2 THR 193.A OG1 no hydrogen 3.231 N/A ASN 154.A N LYS 150.A O no hydrogen 3.392 N/A LEU 155.A N GLN 151.A O no hydrogen 2.952 N/A ALA 156.A N LEU 152.A O no hydrogen 2.758 N/A LEU 157.A N ASN 153.A O no hydrogen 3.204 N/A LEU 158.A N ASN 154.A O no hydrogen 3.190 N/A CYS 159.A N LEU 155.A O no hydrogen 2.936 N/A CYS 159.A SG LEU 155.A O no hydrogen 3.426 N/A GLN 160.A N ALA 156.A O no hydrogen 2.919 N/A ASN 161.A N LEU 157.A O no hydrogen 3.345 N/A ASN 161.A ND2 LEU 157.A O no hydrogen 2.718 N/A GLN 162.A N CYS 159.A O no hydrogen 3.004 N/A GLN 162.A NE2 GLU 127.A OE1 no hydrogen 3.079 N/A GLN 162.A NE2 LEU 158.A O no hydrogen 3.488 N/A GLY 163.A N GLN 160.A O no hydrogen 3.042 N/A LYS 164.A N CYS 159.A O no hydrogen 3.180 N/A LYS 164.A NZ GLU 127.A OE1 no hydrogen 2.979 N/A LYS 164.A NZ GLU 167.A OE2 no hydrogen 3.318 N/A VAL 168.A N LYS 164.A O no hydrogen 3.185 N/A GLU 169.A N TYR 165.A O no hydrogen 3.112 N/A TYR 170.A N GLU 166.A O no hydrogen 3.340 N/A TYR 171.A N GLU 167.A O no hydrogen 2.970 N/A TYR 171.A OH GLU 167.A OE1 no hydrogen 3.264 N/A TYR 172.A N VAL 168.A O no hydrogen 2.937 N/A GLN 173.A N GLU 169.A O no hydrogen 3.051 N/A ARG 174.A N TYR 170.A O no hydrogen 2.867 N/A ARG 174.A NH1 GLU 138.A OE2 no hydrogen 2.686 N/A ARG 174.A NH1 LYS 143.A O no hydrogen 3.175 N/A ARG 174.A NH2 GLU 138.A OE2 no hydrogen 2.930 N/A ALA 175.A N TYR 171.A O no hydrogen 2.946 N/A LEU 176.A N TYR 172.A O no hydrogen 2.949 N/A GLU 177.A N GLN 173.A O no hydrogen 2.816 N/A ILE 178.A N ARG 174.A O no hydrogen 3.151 N/A TYR 179.A N ALA 175.A O no hydrogen 3.026 N/A TYR 179.A OH PRO 146.A O no hydrogen 3.327 N/A GLN 180.A N LEU 176.A O no hydrogen 2.965 N/A THR 181.A N GLU 177.A O no hydrogen 3.054 N/A THR 181.A OG1 GLU 177.A O no hydrogen 3.147 N/A THR 181.A OG1 ILE 178.A O no hydrogen 3.507 N/A LYS 182.A N ILE 178.A O no hydrogen 2.781 N/A ASP 187.A N GLY 184.A O no hydrogen 3.230 N/A ASN 189.A ND2 ASP 187.A OD1 no hydrogen 2.884 N/A VAL 190.A N ASP 187.A O no hydrogen 3.280 N/A LYS 192.A N PRO 188.A O no hydrogen 3.071 N/A THR 193.A N ASN 189.A O no hydrogen 2.833 N/A THR 193.A OG1 ASN 153.A OD1 no hydrogen 3.429 N/A THR 193.A OG1 ASN 189.A O no hydrogen 3.032 N/A LYS 194.A N VAL 190.A O no hydrogen 3.068 N/A LYS 194.A NZ GLU 216.A OE1 no hydrogen 3.133 N/A ASN 195.A N ALA 191.A O no hydrogen 3.075 N/A ASN 195.A ND2 ALA 191.A O no hydrogen 2.824 N/A ASN 195.A ND2 THR 254.A OG1 no hydrogen 2.978 N/A ASN 196.A N LYS 192.A O no hydrogen 3.175 N/A ASN 196.A ND2 ASN 153.A OD1 no hydrogen 2.727 N/A LEU 197.A N THR 193.A O no hydrogen 3.112 N/A ALA 198.A N LYS 194.A O no hydrogen 2.931 N/A SER 199.A N ASN 195.A O no hydrogen 3.064 N/A CYS 200.A N ASN 196.A O no hydrogen 3.338 N/A TYR 201.A N LEU 197.A O no hydrogen 3.081 N/A LEU 202.A N ALA 198.A O no hydrogen 2.963 N/A LYS 203.A N SER 199.A O no hydrogen 3.066 N/A GLN 204.A N CYS 200.A O no hydrogen 3.256 N/A GLN 204.A NE2 GLU 169.A OE1 no hydrogen 2.960 N/A GLN 204.A NE2 CYS 200.A O no hydrogen 3.597 N/A GLY 205.A N LEU 202.A O no hydrogen 3.158 N/A LYS 206.A N TYR 201.A O no hydrogen 2.865 N/A LYS 206.A NZ GLU 169.A OE1 no hydrogen 3.095 N/A LYS 206.A NZ GLN 204.A OE1 no hydrogen 3.519 N/A LYS 208.A NZ GLU 211.A OE1 no hydrogen 2.753 N/A ALA 210.A N LYS 206.A O no hydrogen 3.173 N/A GLU 211.A N PHE 207.A O no hydrogen 2.854 N/A THR 212.A N LYS 208.A O no hydrogen 3.081 N/A THR 212.A OG1 LYS 208.A O no hydrogen 2.887 N/A LEU 213.A N GLN 209.A O no hydrogen 3.446 N/A TYR 214.A N ALA 210.A O no hydrogen 2.950 N/A LYS 215.A N GLU 211.A O no hydrogen 3.066 N/A LYS 215.A NZ GLU 235.A OE1 no hydrogen 3.480 N/A LYS 215.A NZ GLU 235.A OE2 no hydrogen 3.013 N/A GLU 216.A N THR 212.A O no hydrogen 2.773 N/A ILE 217.A N LEU 213.A O no hydrogen 3.073 N/A LEU 218.A N TYR 214.A O no hydrogen 3.028 N/A THR 219.A N LYS 215.A O no hydrogen 2.803 N/A THR 219.A N GLU 216.A O no hydrogen 3.269 N/A THR 219.A OG1 LYS 215.A O no hydrogen 2.860 N/A ARG 220.A N GLU 216.A O no hydrogen 3.149 N/A ALA 221.A N ILE 217.A O no hydrogen 3.312 N/A GLU 223.A N THR 219.A O no hydrogen 2.908 N/A PHE 226.A N HIS 222.A O no hydrogen 2.800 N/A TRP 231.A NE1 THR 219.A OG1 no hydrogen 3.318 N/A MET 232.A N PRO 229.A O no hydrogen 2.946 N/A HIS 233.A N PRO 229.A O no hydrogen 3.321 N/A ALA 234.A N ILE 230.A O no hydrogen 2.898 N/A GLU 235.A N TRP 231.A O no hydrogen 2.930 N/A GLU 236.A N MET 232.A O no hydrogen 3.019 N/A ARG 237.A N HIS 233.A O no hydrogen 2.918 N/A GLU 238.A N ALA 234.A O no hydrogen 3.054 N/A GLU 239.A N GLU 235.A O no hydrogen 3.226 N/A CYS 240.A N GLU 236.A O no hydrogen 3.137 N/A GLY 244.A N TYR 246.A OH no hydrogen 3.321 N/A THR 252.A OG1 PRO 249.A O no hydrogen 2.809 N/A THR 253.A OG1 PRO 249.A O no hydrogen 3.089 N/A THR 254.A OG1 ASN 195.A OD1 no hydrogen 3.196 N/A THR 254.A OG1 THR 250.A O no hydrogen 2.858 N/A LEU 255.A N VAL 251.A O no hydrogen 2.880 N/A LYS 256.A N THR 252.A O no hydrogen 3.183 N/A ASN 257.A N THR 253.A O no hydrogen 2.786 N/A ASN 257.A ND2 ASN 195.A OD1 no hydrogen 3.043 N/A LEU 258.A N THR 254.A O no hydrogen 2.894 N/A GLY 259.A N LEU 255.A O no hydrogen 3.152 N/A ALA 260.A N LYS 256.A O no hydrogen 2.960 N/A LEU 261.A N ASN 257.A O no hydrogen 2.815 N/A TYR 262.A N LEU 258.A O no hydrogen 2.864 N/A TYR 262.A OH GLU 235.A OE2 no hydrogen 2.658 N/A ARG 263.A N GLY 259.A O no hydrogen 3.051 N/A ARG 263.A NE GLU 275.A OE1 no hydrogen 3.171 N/A ARG 263.A NE GLU 275.A OE2 no hydrogen 2.740 N/A ARG 263.A NH1 GLU 275.A OE1 no hydrogen 2.818 N/A ARG 264.A N ALA 260.A O no hydrogen 2.765 N/A GLN 265.A N LEU 261.A O no hydrogen 2.800 N/A GLY 266.A N ARG 263.A O no hydrogen 3.067 N/A LYS 267.A N TYR 262.A O no hydrogen 3.013 N/A ALA 270.A N GLU 238.A OE2 no hydrogen 2.870 N/A ALA 271.A N LYS 267.A O no hydrogen 3.019 N/A GLU 272.A N PHE 268.A O no hydrogen 2.889 N/A THR 273.A N GLU 269.A O no hydrogen 3.278 N/A THR 273.A OG1 GLU 269.A O no hydrogen 2.721 N/A LEU 274.A N ALA 270.A O no hydrogen 3.434 N/A GLU 275.A N ALA 271.A O no hydrogen 2.847 N/A GLU 276.A N GLU 272.A O no hydrogen 2.868 N/A ALA 277.A N THR 273.A O no hydrogen 2.980 N/A MET 279.A N GLU 275.A O no hydrogen 3.276 N/A ARG 280.A N GLU 276.A O no hydrogen 3.156 N/A SER 281.A N ALA 277.A O no hydrogen 3.231 N/A ARG 282.A N ALA 278.A O no hydrogen 2.876 N/A LYS 283.A N MET 279.A O no hydrogen 3.324 N/A