Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 1w0x_C.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): PHE 4.A N MET 1.A O no hydrogen 3.485 N/A GLN 5.A N ARG 22.A O no hydrogen 3.125 N/A GLU 8.A N LYS 20.A O no hydrogen 3.146 N/A GLY 13.A N GLY 16.A O no hydrogen 2.929 N/A GLY 16.A N GLY 13.A O no hydrogen 3.198 N/A VAL 18.A N GLY 11.A O no hydrogen 3.295 N/A TYR 19.A N LEU 32.A O no hydrogen 2.647 N/A LYS 20.A N GLU 8.A O no hydrogen 2.881 N/A ALA 21.A N VAL 30.A O no hydrogen 3.030 N/A ARG 22.A N GLN 5.A O no hydrogen 3.127 N/A ARG 22.A NH2 GLY 27.A O no hydrogen 2.648 N/A ASN 23.A N GLU 28.A O no hydrogen 2.709 N/A LYS 24.A N ASN 3.A O no hydrogen 2.802 N/A LYS 24.A NZ GLU 2.A O no hydrogen 3.033 N/A LEU 25.A N ASN 23.A OD1 no hydrogen 2.674 N/A THR 26.A N ASN 23.A OD1 no hydrogen 2.847 N/A GLY 27.A N ASN 23.A O no hydrogen 2.620 N/A GLU 28.A N THR 26.A OG1 no hydrogen 3.413 N/A VAL 29.A N GLU 28.A OE1 no hydrogen 2.966 N/A VAL 30.A N ALA 21.A O no hydrogen 2.892 N/A ALA 31.A N PHE 73.A O no hydrogen 2.750 N/A LEU 32.A N TYR 19.A O no hydrogen 2.737 N/A LYS 33.A N LEU 71.A O no hydrogen 2.797 N/A LYS 33.A NZ ASP 138.A OD2 no hydrogen 3.240 N/A LYS 34.A N VAL 17.A O no hydrogen 2.985 N/A LYS 34.A NZ TYR 19.A OH no hydrogen 3.283 N/A ILE 35.A N LEU 69.A O no hydrogen 3.014 N/A ARG 36.A N TYR 15.A O no hydrogen 3.263 N/A ILE 42.A N PRO 38.A O no hydrogen 3.184 N/A ARG 43.A N SER 39.A O no hydrogen 3.078 N/A GLU 44.A N THR 40.A O no hydrogen 2.834 N/A ILE 45.A N ALA 41.A O no hydrogen 3.024 N/A SER 46.A N ILE 42.A O no hydrogen 3.121 N/A SER 46.A OG ILE 42.A O no hydrogen 2.972 N/A LEU 47.A N ARG 43.A O no hydrogen 3.409 N/A LEU 48.A N GLU 44.A O no hydrogen 3.202 N/A LYS 49.A N ILE 45.A O no hydrogen 2.862 N/A LYS 49.A NZ SER 46.A O no hydrogen 3.550 N/A LYS 49.A NZ GLU 50.A OE2 no hydrogen 3.159 N/A GLU 50.A N LEU 47.A O no hydrogen 2.980 N/A LEU 51.A N LEU 48.A O no hydrogen 3.176 N/A ASN 52.A ND2 LYS 49.A O no hydrogen 3.633 N/A ASN 55.A ND2 GLN 103.A OE1 no hydrogen 3.427 N/A ASN 55.A ND2 ILE 134.A O no hydrogen 2.855 N/A ILE 56.A N HIS 53.A O no hydrogen 3.221 N/A VAL 57.A N LEU 136.A O no hydrogen 3.006 N/A LYS 58.A N GLU 74.A OE2 no hydrogen 2.977 N/A LYS 58.A NZ LEU 59.A O no hydrogen 3.341 N/A LEU 60.A N VAL 72.A O no hydrogen 2.704 N/A ASP 61.A N VAL 72.A O no hydrogen 3.142 N/A ILE 63.A N TYR 70.A O no hydrogen 2.869 N/A HIS 64.A ND1 LYS 68.A O no hydrogen 3.048 N/A THR 65.A N LYS 68.A O no hydrogen 2.954 N/A THR 65.A OG1 GLU 66.A OE2 no hydrogen 3.238 N/A TYR 70.A N ILE 63.A O no hydrogen 3.034 N/A LEU 71.A N LYS 33.A O no hydrogen 2.904 N/A VAL 72.A N ASP 61.A O no hydrogen 2.728 N/A PHE 73.A N ALA 31.A O no hydrogen 2.795 N/A GLU 74.A N LYS 58.A O no hydrogen 2.996 N/A GLN 78.A N ILE 128.A O no hydrogen 3.366 N/A GLN 78.A NE2 ARG 279.A O no hydrogen 3.275 N/A LEU 80.A N LEU 126.A O no hydrogen 2.782 N/A LYS 82.A N ASP 79.A OD1 no hydrogen 2.978 N/A PHE 83.A N ASP 79.A O no hydrogen 3.224 N/A MET 84.A N LEU 80.A O no hydrogen 2.729 N/A ASP 85.A N LYS 81.A O no hydrogen 3.019 N/A ALA 86.A N LYS 82.A O no hydrogen 3.086 N/A SER 87.A N PHE 83.A O no hydrogen 3.130 N/A SER 87.A OG PHE 83.A O no hydrogen 3.020 N/A THR 90.A N SER 87.A O no hydrogen 2.850 N/A THR 90.A OG1 SER 87.A O no hydrogen 3.466 N/A GLY 91.A N SER 87.A O no hydrogen 2.531 N/A LEU 96.A N PRO 93.A O no hydrogen 3.030 N/A ILE 97.A N PRO 93.A O no hydrogen 2.944 N/A LYS 98.A N LEU 94.A O no hydrogen 2.697 N/A LYS 98.A NZ PHE 267.A O no hydrogen 3.126 N/A LYS 98.A NZ ASP 270.A OD1 no hydrogen 3.025 N/A SER 99.A N PRO 95.A O no hydrogen 3.173 N/A TYR 100.A N LEU 96.A O no hydrogen 2.862 N/A LEU 101.A N ILE 97.A O no hydrogen 2.957 N/A PHE 102.A N LYS 98.A O no hydrogen 2.982 N/A GLN 103.A N SER 99.A O no hydrogen 3.030 N/A GLN 103.A NE2 SER 99.A O no hydrogen 3.255 N/A GLN 103.A NE2 SER 99.A OG no hydrogen 2.917 N/A GLN 103.A NE2 GLY 132.A O no hydrogen 3.148 N/A LEU 104.A N TYR 100.A O no hydrogen 2.922 N/A LEU 105.A N LEU 101.A O no hydrogen 2.829 N/A GLN 106.A N PHE 102.A O no hydrogen 3.118 N/A GLN 106.A NE2 PHE 102.A O no hydrogen 3.632 N/A GLY 107.A N GLN 103.A O no hydrogen 3.031 N/A LEU 108.A N LEU 104.A O no hydrogen 2.994 N/A ALA 109.A N LEU 105.A O no hydrogen 2.776 N/A PHE 110.A N GLN 106.A O no hydrogen 2.976 N/A CYS 111.A N GLY 107.A O no hydrogen 3.121 N/A CYS 111.A SG GLY 107.A O no hydrogen 3.504 N/A HIS 112.A N LEU 108.A O no hydrogen 2.762 N/A HIS 112.A ND1 VAL 116.A O no hydrogen 3.273 N/A SER 113.A N ALA 109.A O no hydrogen 3.237 N/A SER 113.A OG PHE 110.A O no hydrogen 2.699 N/A SER 113.A OG HIS 114.A ND1 no hydrogen 3.352 N/A HIS 114.A N CYS 111.A O no hydrogen 2.867 N/A HIS 114.A ND1 PHE 110.A O no hydrogen 2.798 N/A ARG 115.A N HIS 112.A O no hydrogen 2.957 N/A VAL 116.A N CYS 111.A O no hydrogen 2.960 N/A HIS 118.A N ASP 167.A OD2 no hydrogen 3.052 N/A ARG 119.A N ASP 167.A OD1 no hydrogen 2.969 N/A LYS 122.A NZ ASP 120.A OD1 no hydrogen 3.308 N/A LYS 122.A NZ ASP 120.A OD2 no hydrogen 2.844 N/A ASN 125.A N LYS 122.A O no hydrogen 2.831 N/A ASN 125.A ND2 ASP 120.A O no hydrogen 3.004 N/A LEU 126.A N PRO 123.A O no hydrogen 3.348 N/A LEU 127.A N LYS 135.A O no hydrogen 2.950 N/A ILE 128.A N GLN 78.A O no hydrogen 2.854 N/A ASN 129.A N ALA 133.A O no hydrogen 3.073 N/A GLY 132.A N ASN 129.A O no hydrogen 3.031 N/A ALA 133.A N ASN 129.A OD1 no hydrogen 2.933 N/A LYS 135.A N LEU 127.A O no hydrogen 2.764 N/A LYS 135.A NZ GLU 74.A OE1 no hydrogen 3.416 N/A LYS 135.A NZ GLU 74.A OE2 no hydrogen 2.868 N/A LEU 136.A N ASN 55.A O no hydrogen 2.862 N/A ALA 137.A N ASN 125.A O no hydrogen 2.912 N/A ALA 144.A N GLY 140.A O no hydrogen 3.194 N/A PHE 145.A N LEU 141.A O no hydrogen 2.865 N/A TYR 150.A OH GLU 177.A OE2 no hydrogen 2.814 N/A ARG 151.A N LEU 148.A O no hydrogen 2.883 N/A ARG 151.A NH2 ASP 120.A OD1 no hydrogen 2.965 N/A GLU 154.A N GLU 154.A OE1 no hydrogen 2.765 N/A ILE 155.A N ALA 152.A O no hydrogen 2.938 N/A LEU 156.A N ALA 152.A O no hydrogen 3.281 N/A LEU 157.A N PRO 153.A O no hydrogen 2.961 N/A GLY 158.A N ILE 155.A O no hydrogen 3.300 N/A CYS 159.A N GLU 154.A O no hydrogen 2.932 N/A LYS 160.A NZ GLY 158.A O no hydrogen 3.507 N/A ALA 165.A N SER 163.A OG no hydrogen 3.265 N/A VAL 166.A N SER 163.A O no hydrogen 2.998 N/A ASP 167.A N THR 164.A O no hydrogen 2.978 N/A TRP 169.A N ALA 165.A O no hydrogen 3.253 N/A SER 170.A N VAL 166.A O no hydrogen 3.250 N/A SER 170.A OG TYR 150.A O no hydrogen 2.740 N/A SER 170.A OG VAL 166.A O no hydrogen 3.338 N/A LEU 171.A N ASP 167.A O no hydrogen 2.913 N/A GLY 172.A N ILE 168.A O no hydrogen 2.897 N/A CYS 173.A N TRP 169.A O no hydrogen 2.988 N/A CYS 173.A SG TRP 169.A O no hydrogen 3.530 N/A ILE 174.A N SER 170.A O no hydrogen 3.078 N/A PHE 175.A N LEU 171.A O no hydrogen 2.812 N/A ALA 176.A N GLY 172.A O no hydrogen 3.117 N/A GLU 177.A N CYS 173.A O no hydrogen 3.126 N/A MET 178.A N ILE 174.A O no hydrogen 3.038 N/A VAL 179.A N PHE 175.A O no hydrogen 3.265 N/A THR 180.A N ALA 176.A O no hydrogen 2.988 N/A THR 180.A OG1 ALA 176.A O no hydrogen 3.411 N/A ARG 181.A N GLU 177.A O no hydrogen 2.782 N/A ARG 181.A NE ALA 88.A O no hydrogen 3.530 N/A ARG 181.A NH2 ALA 88.A O no hydrogen 3.510 N/A GLY 187.A N PHE 185.A O no hydrogen 2.741 N/A ASP 188.A N ASP 192.A OD2 no hydrogen 2.834 N/A ASP 192.A N SER 189.A OG no hydrogen 3.217 N/A GLN 193.A N SER 189.A O no hydrogen 2.652 N/A GLN 193.A NE2 TRP 149.A O no hydrogen 3.322 N/A GLN 193.A NE2 PHE 185.A O no hydrogen 3.266 N/A LEU 194.A N GLU 190.A O no hydrogen 3.001 N/A PHE 195.A N ILE 191.A O no hydrogen 2.851 N/A ARG 196.A N ASP 192.A O no hydrogen 3.077 N/A ARG 196.A N GLN 193.A O no hydrogen 3.097 N/A ARG 196.A NH1 ASP 192.A OD1 no hydrogen 3.448 N/A ARG 196.A NH1 ASP 192.A OD2 no hydrogen 2.855 N/A ILE 197.A N GLN 193.A O no hydrogen 3.152 N/A PHE 198.A N LEU 194.A O no hydrogen 3.024 N/A ARG 199.A N PHE 195.A O no hydrogen 2.923 N/A THR 200.A N ILE 197.A O no hydrogen 3.256 N/A THR 200.A OG1 ARG 196.A O no hydrogen 3.042 N/A LEU 201.A N ILE 197.A O no hydrogen 2.935 N/A THR 203.A N TRP 225.A O no hydrogen 3.080 N/A THR 203.A OG1 PRO 223.A O no hydrogen 2.699 N/A VAL 208.A N ASP 205.A OD2 no hydrogen 2.970 N/A TRP 209.A N ASP 205.A O no hydrogen 2.796 N/A GLY 211.A N GLU 206.A OE1 no hydrogen 2.797 N/A GLY 211.A N GLU 206.A OE2 no hydrogen 3.342 N/A VAL 212.A N TRP 209.A O no hydrogen 3.231 N/A THR 213.A N GLU 206.A OE2 no hydrogen 3.115 N/A THR 213.A OG1 GLU 206.A OE2 no hydrogen 2.719 N/A SER 214.A N GLY 211.A O no hydrogen 3.105 N/A MET 215.A N VAL 212.A O no hydrogen 3.064 N/A ASP 217.A N LEU 157.A O no hydrogen 2.881 N/A TYR 218.A N MET 215.A O no hydrogen 3.185 N/A LYS 219.A NZ TYR 218.A O no hydrogen 2.974 N/A PHE 222.A N LYS 219.A O no hydrogen 3.113 N/A LYS 224.A NZ THR 203.A O no hydrogen 3.281 N/A TRP 225.A N THR 203.A OG1 no hydrogen 2.717 N/A ARG 227.A NH2 LEU 201.A O no hydrogen 3.413 N/A GLN 228.A N THR 200.A O no hydrogen 2.910 N/A SER 231.A N ASP 229.A OD1 no hydrogen 2.853 N/A SER 231.A OG ASP 229.A OD1 no hydrogen 2.773 N/A LYS 232.A N ASP 229.A O no hydrogen 3.192 N/A VAL 233.A N ASP 229.A O no hydrogen 3.215 N/A VAL 234.A N PHE 230.A O no hydrogen 2.719 N/A LEU 237.A N VAL 234.A O no hydrogen 3.291 N/A GLY 241.A N ASP 238.A OD2 no hydrogen 2.940 N/A ARG 242.A N ASP 238.A O no hydrogen 2.842 N/A ARG 242.A NE VAL 234.A O no hydrogen 3.475 N/A ARG 242.A NH2 PRO 235.A O no hydrogen 3.301 N/A SER 243.A N GLU 239.A O no hydrogen 3.036 N/A SER 243.A OG GLU 239.A O no hydrogen 3.538 N/A SER 243.A OG ASP 240.A O no hydrogen 3.292 N/A SER 243.A OG HIS 265.A NE2 no hydrogen 3.032 N/A LEU 244.A N ASP 240.A O no hydrogen 3.116 N/A LEU 245.A N GLY 241.A O no hydrogen 2.941 N/A SER 246.A N ARG 242.A O no hydrogen 2.869 N/A GLN 247.A N SER 243.A O no hydrogen 3.154 N/A MET 248.A N LEU 244.A O no hydrogen 3.110 N/A MET 248.A N LEU 245.A O no hydrogen 3.096 N/A LEU 249.A N LEU 245.A O no hydrogen 3.026 N/A LEU 249.A N SER 246.A O no hydrogen 3.235 N/A TYR 251.A OH GLY 202.A O no hydrogen 2.716 N/A ASN 254.A N ASP 252.A OD1 no hydrogen 3.072 N/A ASN 254.A ND2 ASP 252.A OD1 no hydrogen 3.355 N/A LYS 255.A N ASP 252.A O no hydrogen 2.743 N/A LYS 255.A NZ VAL 208.A O no hydrogen 2.830 N/A LYS 255.A NZ ASP 252.A OD2 no hydrogen 2.883 N/A ARG 256.A N ASP 252.A O no hydrogen 3.032 N/A ARG 256.A NE HIS 250.A O no hydrogen 2.858 N/A ARG 256.A NH1 GLU 154.A OE1 no hydrogen 2.993 N/A ARG 256.A NH1 HIS 250.A O no hydrogen 2.994 N/A ARG 256.A NH2 GLU 154.A OE1 no hydrogen 3.516 N/A ARG 256.A NH2 GLU 154.A OE2 no hydrogen 2.813 N/A ARG 256.A NH2 ALA 165.A O no hydrogen 2.842 N/A ILE 257.A N GLN 247.A O no hydrogen 2.901 N/A LYS 260.A NZ LYS 260.A O no hydrogen 2.623 N/A ALA 261.A N SER 258.A OG no hydrogen 3.082 N/A ALA 262.A N SER 258.A O no hydrogen 2.954 N/A LEU 263.A N ALA 259.A O no hydrogen 3.190 N/A LEU 263.A N LYS 260.A O no hydrogen 3.122 N/A ALA 264.A N ALA 261.A O no hydrogen 2.987 N/A HIS 265.A N ALA 262.A O no hydrogen 3.158 N/A PHE 267.A N HIS 265.A ND1 no hydrogen 3.287 N/A PHE 268.A N HIS 265.A O no hydrogen 3.054 N/A GLN 269.A N PRO 266.A O no hydrogen 3.188 N/A GLN 269.A NE2 HIS 265.A O no hydrogen 3.308 N/A VAL 271.A N PHE 268.A O no hydrogen 3.306 N/A ARG 279.A NH2 LEU 278.A O no hydrogen 2.723 N/A