Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 2f1i_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): LEU 4.A N LEU 1.A O no hydrogen 2.932 N/A VAL 7.A N LEU 4.A O no hydrogen 2.936 N/A ALA 12.A N GLY 8.A O no hydrogen 3.137 N/A GLU 13.A N PRO 9.A O no hydrogen 3.328 N/A LYS 14.A N SER 10.A O no hydrogen 3.226 N/A LYS 14.A NZ GLU 38.A O no hydrogen 3.318 N/A LEU 15.A N THR 11.A O no hydrogen 2.960 N/A VAL 16.A N ALA 12.A O no hydrogen 3.064 N/A GLU 17.A N GLU 13.A O no hydrogen 3.283 N/A GLU 17.A N LYS 14.A O no hydrogen 2.922 N/A ALA 18.A N LYS 14.A O no hydrogen 3.065 N/A ALA 18.A N LEU 15.A O no hydrogen 3.232 N/A TYR 20.A OH GLU 33.A OE2 no hydrogen 2.907 N/A LYS 25.A NZ GLU 192.A OE2 no hydrogen 3.097 N/A ILE 26.A N PHE 23.A O no hydrogen 2.622 N/A ALA 27.A N PHE 23.A O no hydrogen 2.604 N/A THR 28.A N MET 24.A O no hydrogen 3.115 N/A THR 28.A OG1 MET 24.A O no hydrogen 2.857 N/A ALA 29.A N ILE 26.A O no hydrogen 3.250 N/A GLU 33.A N THR 30.A OG1 no hydrogen 3.145 N/A LEU 34.A N THR 30.A O no hydrogen 3.399 N/A THR 35.A N VAL 31.A O no hydrogen 3.317 N/A THR 35.A OG1 VAL 31.A O no hydrogen 2.801 N/A THR 35.A OG1 GLY 32.A O no hydrogen 2.859 N/A ASP 36.A N GLY 32.A O no hydrogen 3.026 N/A ILE 37.A N LEU 34.A O no hydrogen 3.163 N/A GLU 38.A N THR 35.A O no hydrogen 3.085 N/A LYS 43.A N GLU 42.A OE1 no hydrogen 2.566 N/A ALA 44.A N SER 41.A OG no hydrogen 3.150 N/A ALA 45.A N SER 41.A O no hydrogen 2.781 N/A ALA 46.A N GLU 42.A O no hydrogen 3.235 N/A ALA 46.A N LYS 43.A O no hydrogen 3.230 N/A LYS 47.A N LYS 43.A O no hydrogen 3.240 N/A MET 48.A N ALA 44.A O no hydrogen 2.881 N/A ILE 49.A N ALA 45.A O no hydrogen 3.293 N/A MET 50.A N ALA 46.A O no hydrogen 2.824 N/A GLY 51.A N LYS 47.A O no hydrogen 2.941 N/A ALA 52.A N MET 48.A O no hydrogen 2.814 N/A ARG 53.A N ILE 49.A O no hydrogen 3.026 N/A ARG 53.A NE ALA 27.A O no hydrogen 3.302 N/A ASP 54.A N MET 50.A O no hydrogen 3.225 N/A LEU 55.A N GLY 51.A O no hydrogen 2.973 N/A CYS 56.A N ALA 52.A O no hydrogen 3.140 N/A ASP 57.A N ASP 54.A O no hydrogen 2.638 N/A LEU 58.A N ARG 53.A O no hydrogen 3.077 N/A ASP 65.A N SER 62.A O no hydrogen 3.175 N/A LEU 66.A N GLY 63.A O no hydrogen 3.131 N/A LEU 67.A N ILE 64.A O no hydrogen 3.215 N/A LYS 68.A N ILE 64.A O no hydrogen 3.450 N/A LYS 68.A NZ ASP 65.A OD1 no hydrogen 3.194 N/A GLN 69.A N ASP 65.A O no hydrogen 3.028 N/A ARG 70.A N LEU 66.A O no hydrogen 3.202 N/A ARG 70.A NH1 GLU 92.A OE2 no hydrogen 3.467 N/A ARG 70.A NH2 GLU 92.A OE1 no hydrogen 2.852 N/A SER 71.A N LYS 68.A O no hydrogen 3.286 N/A SER 71.A OG LEU 67.A O no hydrogen 3.080 N/A THR 72.A N GLN 69.A O no hydrogen 3.333 N/A THR 72.A OG1 GLN 69.A O no hydrogen 2.831 N/A THR 72.A OG1 GLN 69.A OE1 no hydrogen 3.226 N/A TRP 74.A N SER 93.A OG no hydrogen 2.907 N/A TRP 74.A NE1 ASN 245.A O no hydrogen 2.825 N/A LYS 75.A N PHE 125.A O no hydrogen 2.802 N/A LYS 75.A NZ GLY 88.A O no hydrogen 2.751 N/A LEU 76.A N LEU 91.A O no hydrogen 2.674 N/A SER 77.A N PHE 123.A O no hydrogen 2.970 N/A SER 77.A OG ASP 84.A OD1 no hydrogen 2.708 N/A THR 78.A N ASP 84.A OD2 no hydrogen 2.664 N/A THR 78.A OG1 ASP 84.A OD2 no hydrogen 2.792 N/A SER 79.A N SER 77.A OG no hydrogen 3.163 N/A SER 80.A OG ASP 299.A OXT no hydrogen 3.313 N/A SER 81.A N ASP 299.A OXT no hydrogen 2.708 N/A SER 81.A OG ASP 299.A O no hydrogen 2.899 N/A LEU 83.A N SER 80.A OG no hydrogen 3.250 N/A ASP 84.A N SER 80.A O no hydrogen 3.223 N/A SER 85.A N SER 81.A O no hydrogen 3.001 N/A VAL 86.A N GLU 82.A O no hydrogen 2.973 N/A LEU 87.A N LEU 83.A O no hydrogen 2.768 N/A GLY 88.A N SER 85.A O no hydrogen 2.599 N/A GLY 89.A N ASP 84.A O no hydrogen 2.694 N/A LEU 91.A N LEU 76.A O no hydrogen 2.773 N/A SER 93.A N TRP 74.A O no hydrogen 3.027 N/A SER 93.A OG TRP 74.A O no hydrogen 3.116 N/A SER 93.A OG ASN 245.A OD1 no hydrogen 2.681 N/A GLN 94.A N CYS 246.A O no hydrogen 3.384 N/A GLN 94.A NE2 THR 72.A OG1 no hydrogen 3.015 N/A GLN 94.A NE2 ASN 245.A OD1 no hydrogen 3.121 N/A THR 97.A N VAL 248.A O no hydrogen 3.026 N/A GLU 98.A N PHE 261.A O no hydrogen 2.730 N/A PHE 99.A N VAL 250.A O no hydrogen 2.958 N/A ALA 100.A N PHE 263.A O no hydrogen 2.749 N/A SER 105.A N VAL 102.A O no hydrogen 2.754 N/A SER 105.A OG VAL 102.A O no hydrogen 2.793 N/A THR 108.A OG1 ASP 207.A OD2 no hydrogen 3.072 N/A ILE 110.A N GLY 106.A O no hydrogen 2.904 N/A MET 111.A N LYS 107.A O no hydrogen 3.032 N/A HIS 112.A N THR 108.A O no hydrogen 2.914 N/A HIS 112.A ND1 THR 108.A O no hydrogen 2.859 N/A GLN 113.A N GLN 109.A O no hydrogen 2.963 N/A GLN 113.A NE2 GLN 113.A O no hydrogen 3.269 N/A GLN 113.A NE2 ASN 117.A OD1 no hydrogen 3.074 N/A SER 114.A N ILE 110.A O no hydrogen 3.135 N/A SER 114.A OG ILE 110.A O no hydrogen 2.785 N/A CYS 115.A N MET 111.A O no hydrogen 3.274 N/A CYS 115.A SG MET 111.A O no hydrogen 3.821 N/A VAL 116.A N HIS 112.A O no hydrogen 3.132 N/A ASN 117.A N GLN 113.A O no hydrogen 2.800 N/A ASN 117.A ND2 SER 77.A O no hydrogen 2.935 N/A ASN 117.A ND2 SER 79.A OG no hydrogen 2.572 N/A LEU 118.A N SER 114.A O no hydrogen 3.047 N/A GLN 119.A N VAL 116.A O no hydrogen 2.911 N/A GLN 119.A NE2 PRO 139.A O no hydrogen 3.064 N/A ASN 120.A N ASN 117.A O no hydrogen 3.158 N/A GLU 122.A N ASN 120.A OD1 no hydrogen 3.203 N/A PHE 123.A N ASN 120.A O no hydrogen 2.587 N/A LEU 124.A N PRO 121.A O no hydrogen 3.433 N/A PHE 125.A N LYS 75.A O no hydrogen 2.766 N/A GLU 129.A N ASP 127.A OD2 no hydrogen 2.545 N/A ALA 130.A N ASP 127.A O no hydrogen 3.035 N/A VAL 131.A N ASP 127.A O no hydrogen 3.039 N/A LYS 133.A NZ GLU 128.A OE2 no hydrogen 2.835 N/A GLU 135.A N SER 132.A O no hydrogen 3.113 N/A VAL 136.A N LYS 133.A O no hydrogen 3.172 N/A ALA 137.A N GLY 134.A O no hydrogen 3.250 N/A LYS 140.A N ASN 200.A O no hydrogen 2.843 N/A ALA 141.A N ASN 172.A O no hydrogen 2.838 N/A VAL 142.A N LEU 203.A O no hydrogen 2.871 N/A TYR 143.A N PHE 174.A O no hydrogen 2.479 N/A TYR 143.A OH ASP 207.A OD2 no hydrogen 3.378 N/A ILE 144.A N VAL 205.A O no hydrogen 2.799 N/A ASP 145.A N ALA 176.A O no hydrogen 2.753 N/A THR 146.A N ASP 207.A O no hydrogen 2.551 N/A THR 146.A OG1 SER 208.A O no hydrogen 2.805 N/A GLY 148.A N ASP 145.A OD1 no hydrogen 2.631 N/A THR 149.A N ASP 145.A OD1 no hydrogen 3.105 N/A PHE 150.A N ASP 145.A OD2 no hydrogen 2.961 N/A ARG 151.A N HIS 112.A NE2 no hydrogen 3.035 N/A ARG 151.A NH1 GLY 148.A O no hydrogen 3.354 N/A ARG 151.A NH1 PHE 150.A O no hydrogen 2.631 N/A ARG 151.A NH2 GLY 148.A O no hydrogen 3.389 N/A GLU 153.A N GLU 153.A OE2 no hydrogen 3.191 N/A ARG 154.A NE GLN 109.A OE1 no hydrogen 2.832 N/A ARG 154.A NH1 GLN 109.A OE1 no hydrogen 3.229 N/A ARG 154.A NH1 THR 293.A O no hydrogen 2.782 N/A ARG 154.A NH2 GLU 294.A O no hydrogen 3.091 N/A ILE 155.A N PRO 152.A O no hydrogen 3.308 N/A MET 156.A N PRO 152.A O no hydrogen 3.152 N/A GLN 157.A N GLU 153.A O no hydrogen 2.891 N/A GLN 157.A NE2 GLU 294.A O no hydrogen 2.760 N/A MET 158.A N ARG 154.A O no hydrogen 3.255 N/A ALA 159.A N ILE 155.A O no hydrogen 2.925 N/A GLU 160.A N MET 156.A O no hydrogen 3.016 N/A HIS 161.A N GLN 157.A O no hydrogen 3.299 N/A ALA 162.A N MET 158.A O no hydrogen 3.106 N/A ALA 162.A N ALA 159.A O no hydrogen 2.674 N/A GLY 163.A N ALA 159.A O no hydrogen 2.782 N/A ILE 164.A N ALA 159.A O no hydrogen 3.079 N/A GLN 167.A NE2 GLN 167.A O no hydrogen 3.112 N/A GLN 167.A NE2 ASP 171.A OD1 no hydrogen 2.549 N/A THR 168.A N ASP 165.A O no hydrogen 2.727 N/A THR 168.A OG1 ASP 165.A OD2 no hydrogen 2.952 N/A VAL 169.A N ASP 165.A O no hydrogen 3.238 N/A VAL 169.A N GLY 166.A O no hydrogen 2.986 N/A LEU 170.A N GLY 166.A O no hydrogen 2.945 N/A ASP 171.A N GLN 167.A O no hydrogen 2.959 N/A ASN 172.A N THR 168.A O no hydrogen 3.271 N/A ASN 172.A N VAL 169.A O no hydrogen 2.885 N/A THR 173.A OG1 VAL 169.A O no hydrogen 2.926 N/A PHE 174.A N ALA 141.A O no hydrogen 2.637 N/A ALA 176.A N TYR 143.A O no hydrogen 2.848 N/A ARG 177.A NE ASP 145.A O no hydrogen 3.155 N/A ARG 177.A NE ALA 178.A O no hydrogen 3.253 N/A ARG 177.A NH2 THR 146.A O no hydrogen 3.066 N/A ARG 177.A NH2 ALA 178.A O no hydrogen 3.539 N/A ALA 178.A N ASP 145.A O no hydrogen 2.899 N/A SER 181.A N GLU 216.A OE2 no hydrogen 2.486 N/A SER 181.A OG GLU 216.A OE1 no hydrogen 2.531 N/A SER 181.A OG GLU 216.A OE2 no hydrogen 2.996 N/A GLN 184.A N ASN 180.A O no hydrogen 2.813 N/A MET 185.A N SER 181.A O no hydrogen 2.872 N/A LEU 186.A N ASP 182.A O no hydrogen 2.934 N/A PHE 187.A N MET 183.A O no hydrogen 2.831 N/A ALA 188.A N GLN 184.A O no hydrogen 3.165 N/A GLU 189.A N MET 185.A O no hydrogen 2.910 N/A LYS 190.A N LEU 186.A O no hydrogen 2.764 N/A ILE 191.A N ALA 188.A O no hydrogen 3.129 N/A ASP 193.A N LYS 190.A O no hydrogen 3.112 N/A ILE 195.A N ILE 191.A O no hydrogen 3.287 N/A GLN 196.A N GLU 192.A O no hydrogen 3.206 N/A GLN 196.A NE2 ASP 193.A OD1 no hydrogen 3.235 N/A GLU 197.A N LEU 194.A O no hydrogen 3.287 N/A GLY 198.A N ILE 195.A O no hydrogen 3.109 N/A ASN 199.A ND2 LEU 194.A O no hydrogen 2.635 N/A ASN 200.A ND2 GLU 135.A O no hydrogen 2.973 N/A ASN 200.A ND2 ALA 137.A O no hydrogen 2.931 N/A ILE 201.A N ASN 199.A O no hydrogen 2.640 N/A LYS 202.A N LYS 140.A O no hydrogen 2.854 N/A LYS 202.A NZ ASN 200.A OD1 no hydrogen 2.769 N/A LYS 202.A NZ ILE 201.A O no hydrogen 3.210 N/A LYS 202.A NZ PHE 244.A O no hydrogen 3.476 N/A VAL 204.A N VAL 247.A O no hydrogen 2.782 N/A VAL 205.A N VAL 142.A O no hydrogen 2.853 N/A ILE 206.A N LEU 249.A O no hydrogen 2.873 N/A ASP 207.A N ILE 144.A O no hydrogen 3.094 N/A SER 208.A OG SER 211.A OG no hydrogen 3.306 N/A SER 208.A OG THR 251.A O no hydrogen 3.079 N/A LEU 209.A N THR 251.A O no hydrogen 2.973 N/A THR 210.A N SER 208.A OG no hydrogen 3.304 N/A THR 210.A OG1 ASN 252.A OD1 no hydrogen 2.365 N/A SER 211.A OG ASP 147.A OD1 no hydrogen 3.393 N/A ARG 214.A N THR 210.A O no hydrogen 3.325 N/A ARG 214.A NH1 GLN 253.A O no hydrogen 2.654 N/A ARG 214.A NH2 GLN 253.A O no hydrogen 2.828 N/A ASN 215.A N SER 211.A O no hydrogen 3.153 N/A GLU 216.A N THR 212.A O no hydrogen 2.767 N/A TYR 217.A N PHE 213.A O no hydrogen 2.693 N/A LYS 222.A N GLY 219.A O no hydrogen 3.371 N/A GLN 227.A N LEU 223.A O no hydrogen 2.840 N/A GLN 227.A NE2 GLY 256.A O no hydrogen 2.460 N/A GLN 228.A N ALA 224.A O no hydrogen 2.943 N/A LYS 229.A N GLU 225.A O no hydrogen 2.990 N/A LYS 229.A NZ SER 181.A OG no hydrogen 3.079 N/A LYS 229.A NZ ASP 182.A OD1 no hydrogen 2.996 N/A LYS 229.A NZ TYR 217.A OH no hydrogen 3.065 N/A LEU 230.A N ARG 226.A O no hydrogen 2.772 N/A GLY 231.A N GLN 227.A O no hydrogen 2.916 N/A ARG 232.A N GLN 228.A O no hydrogen 2.831 N/A HIS 233.A N LYS 229.A O no hydrogen 3.158 N/A MET 234.A N LEU 230.A O no hydrogen 3.086 N/A ALA 235.A N GLY 231.A O no hydrogen 3.031 N/A THR 236.A N ARG 232.A O no hydrogen 3.198 N/A LEU 237.A N HIS 233.A O no hydrogen 2.975 N/A ASN 238.A N MET 234.A O no hydrogen 2.751 N/A LYS 239.A N ALA 235.A O no hydrogen 2.923 N/A LEU 240.A N THR 236.A O no hydrogen 2.868 N/A ALA 241.A N LEU 237.A O no hydrogen 2.938 N/A ASP 242.A N ASN 238.A O no hydrogen 2.862 N/A LEU 243.A N LYS 239.A O no hydrogen 2.911 N/A PHE 244.A N LEU 240.A O no hydrogen 3.374 N/A ASN 245.A N ASP 242.A O no hydrogen 3.097 N/A ASN 245.A ND2 THR 72.A O no hydrogen 2.902 N/A ASN 245.A ND2 GLU 135.A OE1 no hydrogen 3.403 N/A CYS 246.A N ALA 241.A O no hydrogen 3.207 N/A VAL 247.A N LYS 202.A O no hydrogen 2.899 N/A VAL 248.A N SER 95.A O no hydrogen 3.477 N/A LEU 249.A N VAL 204.A O no hydrogen 2.558 N/A VAL 250.A N THR 97.A O no hydrogen 3.174 N/A THR 251.A N ILE 206.A O no hydrogen 2.987 N/A THR 251.A OG1 ILE 206.A O no hydrogen 3.419 N/A THR 251.A OG1 ASP 207.A OD1 no hydrogen 2.478 N/A ASN 252.A N PHE 99.A O no hydrogen 3.007 N/A ASN 252.A ND2 GLU 98.A OE1 no hydrogen 3.272 N/A VAL 254.A N GLY 101.A O no hydrogen 2.889 N/A HIS 257.A NE2 GLU 98.A OE2 no hydrogen 2.833 N/A PHE 261.A N VAL 96.A O no hydrogen 3.234 N/A ARG 262.A N ASP 279.A O no hydrogen 2.769 N/A ARG 262.A NE ASP 279.A OD2 no hydrogen 3.088 N/A ARG 262.A NH1 HIS 257.A O no hydrogen 3.100 N/A ARG 262.A NH2 HIS 257.A O no hydrogen 2.408 N/A PHE 263.A N GLU 98.A O no hydrogen 2.791 N/A PHE 264.A N LYS 276.A O no hydrogen 2.864 N/A VAL 265.A N ALA 100.A O no hydrogen 3.148 N/A ARG 266.A N VAL 274.A O no hydrogen 2.968 N/A GLY 268.A N LYS 272.A O no hydrogen 2.689 N/A ARG 273.A N PHE 290.A O no hydrogen 2.841 N/A ARG 273.A NE SER 105.A O no hydrogen 3.200 N/A ARG 273.A NH1 GLY 270.A O no hydrogen 2.868 N/A ARG 273.A NH1 LYS 272.A O no hydrogen 2.657 N/A VAL 274.A N ARG 266.A O no hydrogen 2.917 N/A ALA 275.A N ALA 288.A O no hydrogen 2.852 N/A LYS 276.A N PHE 264.A O no hydrogen 2.924 N/A LEU 277.A N ALA 286.A O no hydrogen 2.782 N/A TYR 278.A N ARG 262.A O no hydrogen 3.070 N/A LEU 283.A N SER 280.A OG no hydrogen 3.241 N/A ALA 286.A N LEU 277.A O no hydrogen 3.218 N/A ALA 288.A N ALA 275.A O no hydrogen 2.776 N/A ILE 289.A N GLU 82.A OE2 no hydrogen 2.732 N/A PHE 290.A N ARG 273.A O no hydrogen 3.105 N/A ARG 291.A N GLN 298.A O no hydrogen 3.258 N/A ARG 291.A NH1 ASP 271.A OD2 no hydrogen 2.568 N/A THR 293.A N GLY 296.A O no hydrogen 2.949 N/A THR 293.A OG1 GLN 298.A OE1 no hydrogen 2.598 N/A LYS 295.A N THR 293.A OG1 no hydrogen 3.368 N/A GLY 296.A N THR 293.A O no hydrogen 2.869 N/A ILE 297.A N GLN 113.A OE1 no hydrogen 3.030 N/A GLN 298.A N ARG 291.A O no hydrogen 3.064 N/A