Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3whl_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): VAL 4.A N PHE 74.A O no hydrogen 2.760 N/A ASN 8.A N ASN 8.A OD1 no hydrogen 2.584 N/A THR 10.A N ASP 13.A OD2 no hydrogen 2.747 N/A THR 10.A OG1 ASP 13.A OD2 no hydrogen 3.048 N/A TYR 11.A OH GLU 29.A OE1 no hydrogen 2.382 N/A ASP 13.A N THR 10.A O no hydrogen 3.019 N/A ILE 14.A N TYR 11.A O no hydrogen 3.078 N/A LYS 18.A NZ GLN 171.A OE1 no hydrogen 3.543 N/A GLN 20.A NE2 GLU 160.A O no hydrogen 2.705 N/A LEU 21.A N LEU 17.A O no hydrogen 2.907 N/A GLN 22.A N LYS 18.A O no hydrogen 3.156 N/A GLU 23.A N LYS 19.A O no hydrogen 3.043 N/A LEU 24.A N GLN 20.A O no hydrogen 2.837 N/A ARG 25.A N LEU 21.A O no hydrogen 2.979 N/A ARG 25.A NE GLU 29.A OE1 no hydrogen 3.495 N/A ARG 25.A NE GLU 29.A OE2 no hydrogen 3.321 N/A ARG 25.A NH2 GLU 29.A OE2 no hydrogen 3.027 N/A GLU 26.A N GLN 22.A O no hydrogen 2.910 N/A ALA 27.A N LEU 24.A O no hydrogen 2.946 N/A ILE 28.A N LEU 24.A O no hydrogen 2.871 N/A LEU 30.A N ARG 25.A O no hydrogen 2.927 N/A LEU 32.A N ILE 28.A O no hydrogen 3.307 N/A LYS 33.A N GLU 29.A O no hydrogen 3.038 N/A LYS 33.A NZ GLU 29.A OE2 no hydrogen 2.753 N/A HIS 34.A N LEU 30.A O no hydrogen 3.147 N/A LEU 37.A N HIS 34.A O no hydrogen 3.130 N/A PHE 38.A N PRO 35.A O no hydrogen 3.217 N/A GLU 39.A N GLU 36.A O no hydrogen 2.877 N/A GLU 40.A N GLU 36.A O no hydrogen 2.693 N/A VAL 41.A N LEU 37.A O no hydrogen 3.123 N/A ILE 43.A N PHE 38.A O no hydrogen 2.657 N/A LYS 47.A NZ MET 124.A O no hydrogen 2.930 N/A LYS 47.A NZ PHE 127.A O no hydrogen 3.361 N/A VAL 49.A N VAL 135.A O no hydrogen 2.906 N/A LEU 50.A N ARG 157.A O no hydrogen 2.813 N/A LEU 51.A N ALA 137.A O no hydrogen 2.559 N/A TYR 52.A N ILE 159.A O no hydrogen 3.295 N/A GLY 53.A N THR 139.A O no hydrogen 3.121 N/A CYS 57.A SG PRO 54.A O no hydrogen 3.260 N/A CYS 57.A SG PRO 55.A O no hydrogen 3.627 N/A LYS 59.A NZ GLY 53.A O no hydrogen 2.527 N/A LYS 59.A NZ PRO 54.A O no hydrogen 2.866 N/A MET 62.A N GLY 58.A O no hydrogen 3.051 N/A ALA 63.A N LYS 59.A O no hydrogen 3.299 N/A LYS 64.A N THR 60.A O no hydrogen 2.930 N/A ALA 65.A N LEU 61.A O no hydrogen 2.995 N/A ILE 66.A N MET 62.A O no hydrogen 3.057 N/A ALA 67.A N ALA 63.A O no hydrogen 3.242 N/A HIS 68.A N LYS 64.A O no hydrogen 2.902 N/A HIS 68.A ND1 PRO 7.A O no hydrogen 3.149 N/A GLU 69.A N ALA 65.A O no hydrogen 2.939 N/A VAL 70.A N ILE 66.A O no hydrogen 2.871 N/A ASN 71.A N HIS 68.A O no hydrogen 3.045 N/A ALA 72.A N ALA 67.A O no hydrogen 2.748 N/A THR 73.A N PRO 99.A O no hydrogen 2.620 N/A THR 73.A OG1 LYS 97.A O no hydrogen 2.709 N/A THR 73.A OG1 PRO 99.A O no hydrogen 3.375 N/A PHE 74.A N VAL 4.A O no hydrogen 2.860 N/A ILE 75.A N ILE 101.A O no hydrogen 3.164 N/A ARG 76.A N GLU 2.A O no hydrogen 2.894 N/A VAL 77.A N PHE 103.A O no hydrogen 2.876 N/A SER 80.A N GLU 106.A OE2 no hydrogen 3.035 N/A SER 80.A OG GLU 106.A OE2 no hydrogen 2.779 N/A LEU 82.A N GLY 79.A O no hydrogen 3.297 N/A VAL 83.A N SER 80.A O no hydrogen 3.102 N/A VAL 87.A N ALA 84.A O no hydrogen 3.162 N/A HIS 88.A N ALA 84.A O no hydrogen 3.380 N/A HIS 88.A ND1 GLU 123.A OE2 no hydrogen 2.645 N/A GLU 89.A N ARG 85.A O no hydrogen 3.100 N/A LEU 90.A N LEU 86.A O no hydrogen 2.960 N/A PHE 91.A N VAL 87.A O no hydrogen 3.092 N/A GLU 92.A N HIS 88.A O no hydrogen 2.845 N/A LEU 93.A N GLU 89.A O no hydrogen 3.024 N/A ALA 94.A N LEU 90.A O no hydrogen 2.794 N/A LYS 95.A N PHE 91.A O no hydrogen 2.880 N/A LYS 95.A NZ GLU 123.A OE1 no hydrogen 3.441 N/A GLU 96.A N GLU 92.A O no hydrogen 3.058 N/A LYS 97.A N LEU 93.A O no hydrogen 2.933 N/A LYS 97.A NZ GLU 5.A OE2 no hydrogen 2.395 N/A ALA 98.A N LYS 95.A O no hydrogen 3.389 N/A THR 100.A N ASN 132.A O no hydrogen 3.092 N/A THR 100.A OG1 ALA 94.A O no hydrogen 2.648 N/A ILE 101.A N THR 73.A O no hydrogen 2.719 N/A ILE 102.A N LYS 134.A O no hydrogen 2.951 N/A PHE 103.A N ILE 75.A O no hydrogen 2.831 N/A ILE 104.A N ILE 136.A O no hydrogen 2.772 N/A ASP 105.A N VAL 77.A O no hydrogen 2.735 N/A GLU 106.A N ASP 105.A OD1 no hydrogen 2.977 N/A ILE 107.A N ALA 138.A O no hydrogen 3.187 N/A ALA 109.A N GLU 106.A O no hydrogen 2.956 N/A ILE 110.A N ILE 107.A O no hydrogen 3.031 N/A GLY 111.A N ASP 108.A O no hydrogen 3.335 N/A LYS 113.A NZ ASP 143.A O no hydrogen 2.842 N/A ARG 115.A NE ARG 115.A O no hydrogen 3.121 N/A LEU 117.A N ASN 114.A OD1 no hydrogen 3.446 N/A MET 118.A N ASN 114.A O no hydrogen 3.279 N/A GLN 119.A N ARG 115.A O no hydrogen 3.238 N/A LEU 120.A N THR 116.A O no hydrogen 3.258 N/A LEU 121.A N LEU 117.A O no hydrogen 3.281 N/A ALA 122.A N MET 118.A O no hydrogen 3.035 N/A GLU 123.A N GLN 119.A O no hydrogen 2.868 N/A MET 124.A N LEU 120.A O no hydrogen 3.192 N/A ASP 125.A N LEU 121.A O no hydrogen 3.053 N/A GLY 126.A N ALA 122.A O no hydrogen 2.760 N/A PHE 127.A N GLU 123.A O no hydrogen 3.415 N/A ARG 130.A NH2 PHE 38.A O no hydrogen 3.235 N/A GLY 131.A N ASP 128.A O no hydrogen 3.307 N/A LYS 134.A N THR 100.A O no hydrogen 3.121 N/A VAL 135.A N LYS 47.A O no hydrogen 3.041 N/A ILE 136.A N ILE 102.A O no hydrogen 2.745 N/A ALA 137.A N VAL 49.A O no hydrogen 2.882 N/A ALA 138.A N ILE 104.A O no hydrogen 2.783 N/A THR 139.A N LEU 51.A O no hydrogen 3.235 N/A ILE 144.A N ARG 141.A O no hydrogen 3.370 N/A ASP 146.A N GLY 111.A O no hydrogen 2.792 N/A ALA 148.A N ASP 146.A OD1 no hydrogen 3.173 N/A LEU 149.A N ASP 146.A O no hydrogen 2.870 N/A ARG 154.A NH1 ALA 148.A O no hydrogen 2.630 N/A ARG 154.A NH2 ASP 125.A OD2 no hydrogen 3.489 N/A PHE 155.A N LEU 149.A O no hydrogen 3.003 N/A ASP 156.A N ASP 156.A OD2 no hydrogen 2.530 N/A ILE 159.A N LEU 50.A O no hydrogen 3.026 N/A VAL 161.A N TYR 52.A O no hydrogen 2.839 N/A SER 168.A N ASP 165.A OD1 no hydrogen 2.814 N/A SER 168.A OG ASP 165.A OD1 no hydrogen 2.835 N/A ARG 169.A N ASP 165.A O no hydrogen 2.984 N/A ARG 169.A NE ALA 192.A O no hydrogen 3.100 N/A ARG 169.A NE THR 195.A OG1 no hydrogen 3.084 N/A ARG 169.A NH1 PRO 164.A O no hydrogen 2.935 N/A ARG 169.A NH2 ALA 192.A O no hydrogen 2.706 N/A GLN 171.A N PHE 167.A O no hydrogen 3.388 N/A ILE 172.A N SER 168.A O no hydrogen 3.115 N/A LEU 173.A N ARG 169.A O no hydrogen 3.044 N/A GLN 174.A N ALA 170.A O no hydrogen 2.998 N/A ILE 175.A N GLN 171.A O no hydrogen 2.574 N/A HIS 176.A N ILE 172.A O no hydrogen 3.186 N/A SER 177.A N GLN 174.A O no hydrogen 2.769 N/A SER 177.A OG LEU 173.A O no hydrogen 2.890 N/A ARG 178.A NH1 ASN 12.A O no hydrogen 3.567 N/A ARG 178.A NH2 ASN 12.A O no hydrogen 3.240 N/A THR 182.A OG1 MET 180.A O no hydrogen 3.385 N/A ASN 187.A N HIS 224.A ND1 no hydrogen 3.068 N/A GLU 190.A N ASN 187.A OD1 no hydrogen 2.549 N/A ALA 192.A N TRP 188.A O no hydrogen 3.301 N/A ARG 193.A N GLN 189.A O no hydrogen 3.166 N/A SER 194.A N GLU 190.A O no hydrogen 3.216 N/A SER 194.A OG GLU 190.A O no hydrogen 3.079 N/A THR 195.A OG1 LEU 191.A O no hydrogen 2.978 N/A THR 195.A OG1 ALA 192.A O no hydrogen 3.182 N/A PHE 198.A N THR 195.A O no hydrogen 3.163 N/A ASN 199.A N GLN 202.A OE1 no hydrogen 2.705 N/A ASN 199.A ND2 PRO 55.A O no hydrogen 2.977 N/A ALA 201.A N GLY 56.A O no hydrogen 3.259 N/A GLN 202.A N ASN 199.A OD1 no hydrogen 2.628 N/A LEU 203.A N ASN 199.A O no hydrogen 2.902 N/A LYS 204.A N GLY 200.A O no hydrogen 2.904 N/A ALA 205.A N ALA 201.A O no hydrogen 3.046 N/A VAL 206.A N GLN 202.A O no hydrogen 2.933 N/A VAL 206.A N LEU 203.A O no hydrogen 3.308 N/A THR 207.A N LEU 203.A O no hydrogen 3.468 N/A THR 207.A OG1 LYS 204.A O no hydrogen 2.467 N/A VAL 208.A N LYS 204.A O no hydrogen 3.152 N/A GLU 209.A N ALA 205.A O no hydrogen 3.108 N/A ALA 210.A N VAL 206.A O no hydrogen 2.718 N/A GLY 211.A N THR 207.A O no hydrogen 3.080 N/A ILE 213.A N GLU 209.A O no hydrogen 3.419 N/A ALA 214.A N ALA 210.A O no hydrogen 3.103 N/A LEU 215.A N GLY 211.A O no hydrogen 3.152 N/A ARG 216.A N MET 212.A O no hydrogen 2.791 N/A ASN 217.A N ILE 213.A O no hydrogen 2.955 N/A ASN 217.A N ALA 214.A O no hydrogen 3.163 N/A GLY 218.A N LEU 215.A O no hydrogen 2.870 N/A GLN 219.A N ALA 214.A O no hydrogen 2.893 N/A GLN 219.A NE2 SER 221.A O no hydrogen 3.228 N/A GLN 219.A NE2 ASP 226.A OD2 no hydrogen 2.701 N/A SER 221.A OG ASP 183.A OD1 no hydrogen 2.562 N/A VAL 222.A N THR 181.A O no hydrogen 2.998 N/A LYS 223.A N ASP 226.A OD2 no hydrogen 2.708 N/A ASP 226.A N LYS 223.A O no hydrogen 3.073 N/A PHE 227.A N LYS 223.A O no hydrogen 3.451 N/A VAL 228.A N HIS 224.A O no hydrogen 3.264 N/A GLU 229.A N GLU 225.A O no hydrogen 3.103 N/A GLY 230.A N ASP 226.A O no hydrogen 2.791 N/A ILE 231.A N PHE 227.A O no hydrogen 2.666 N/A SER 232.A N VAL 228.A O no hydrogen 2.802 N/A GLU 233.A N GLU 229.A O no hydrogen 2.622 N/A VAL 234.A N GLY 230.A O no hydrogen 2.785 N/A GLN 235.A N ILE 231.A O no hydrogen 2.880 N/A ARG 237.A N VAL 234.A O no hydrogen 2.994 N/A ARG 237.A NH2 GLU 209.A OE2 no hydrogen 3.085 N/A