Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3gfw_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): PHE 1.A N ILE 13.A O no hydrogen 3.305 N/A SER 3.A OG TYR 11.A O no hydrogen 2.867 N/A MET 4.A N TYR 11.A O no hydrogen 2.973 N/A VAL 6.A N ARG 9.A O no hydrogen 2.713 N/A LYS 7.A N GLU 78.A OE1 no hydrogen 2.725 N/A ARG 9.A N VAL 6.A O no hydrogen 3.112 N/A TYR 11.A N MET 4.A O no hydrogen 2.705 N/A SER 12.A N LEU 29.A O no hydrogen 2.799 N/A ILE 13.A N GLN 2.A O no hydrogen 3.048 N/A LEU 14.A N GLN 27.A O no hydrogen 2.851 N/A LYS 15.A N GLN 27.A O no hydrogen 3.397 N/A ILE 17.A N VAL 25.A O no hydrogen 2.821 N/A GLY 18.A N VAL 25.A O no hydrogen 3.432 N/A LYS 24.A N TYR 40.A O no hydrogen 2.831 N/A VAL 25.A N GLY 18.A O no hydrogen 2.834 N/A PHE 26.A N ILE 38.A O no hydrogen 2.910 N/A GLN 27.A N LYS 15.A O no hydrogen 2.673 N/A VAL 28.A N TYR 36.A O no hydrogen 2.868 N/A LEU 29.A N SER 12.A O no hydrogen 2.906 N/A ASN 30.A N GLN 34.A O no hydrogen 2.991 N/A ASN 30.A ND2 GLN 34.A OE1 no hydrogen 2.796 N/A LYS 33.A N ASN 30.A O no hydrogen 2.770 N/A GLN 34.A N ASN 30.A OD1 no hydrogen 2.835 N/A TYR 36.A N VAL 28.A O no hydrogen 2.847 N/A TYR 36.A OH GLN 34.A OE1 no hydrogen 3.389 N/A ALA 37.A N MET 88.A O no hydrogen 3.010 N/A ILE 38.A N PHE 26.A O no hydrogen 2.891 N/A LYS 39.A N MET 86.A O no hydrogen 3.068 N/A TYR 40.A N LYS 24.A O no hydrogen 2.788 N/A VAL 41.A N ILE 84.A O no hydrogen 3.083 N/A ASN 42.A N SER 22.A O no hydrogen 2.627 N/A LEU 43.A N GLN 82.A O no hydrogen 2.778 N/A GLU 44.A N ASN 42.A OD1 no hydrogen 3.168 N/A ALA 46.A N LEU 43.A O no hydrogen 2.904 N/A GLN 49.A N ASP 47.A OD2 no hydrogen 3.267 N/A THR 50.A N ASP 47.A OD2 no hydrogen 3.452 N/A THR 50.A OG1 ASP 47.A OD1 no hydrogen 1.993 N/A LEU 51.A N ASP 47.A O no hydrogen 2.828 N/A ASP 52.A N ASN 48.A O no hydrogen 2.854 N/A SER 53.A N GLN 49.A O no hydrogen 2.908 N/A SER 53.A OG THR 50.A O no hydrogen 2.640 N/A TYR 54.A N THR 50.A O no hydrogen 2.945 N/A ARG 55.A N LEU 51.A O no hydrogen 2.885 N/A ARG 55.A NH1 ASP 52.A OD2 no hydrogen 3.435 N/A ASN 56.A N ASP 52.A O no hydrogen 2.857 N/A GLU 57.A N SER 53.A O no hydrogen 3.078 N/A ILE 58.A N TYR 54.A O no hydrogen 3.008 N/A ALA 59.A N ARG 55.A O no hydrogen 2.976 N/A TYR 60.A N ASN 56.A O no hydrogen 3.135 N/A LEU 61.A N GLU 57.A O no hydrogen 2.970 N/A ASN 62.A N ILE 58.A O no hydrogen 3.122 N/A LYS 63.A N ALA 59.A O no hydrogen 3.001 N/A LEU 64.A N TYR 60.A O no hydrogen 2.844 N/A GLN 65.A N LEU 61.A O no hydrogen 3.290 N/A GLN 65.A NE2 LEU 61.A O no hydrogen 3.264 N/A GLN 65.A NE2 ILE 72.A O no hydrogen 3.276 N/A GLN 66.A N LYS 63.A O no hydrogen 3.310 N/A HIS 67.A N LEU 64.A O no hydrogen 2.998 N/A SER 68.A OG GLU 119.A OE2 no hydrogen 3.318 N/A LYS 70.A N SER 68.A OG no hydrogen 2.828 N/A LYS 70.A NZ ASP 69.A OD1 no hydrogen 3.021 N/A LYS 70.A NZ GLU 119.A OE1 no hydrogen 2.855 N/A LYS 70.A NZ GLU 119.A OE2 no hydrogen 3.347 N/A ILE 71.A N SER 68.A O no hydrogen 3.279 N/A ILE 72.A N LEU 148.A O no hydrogen 2.860 N/A ARG 73.A N GLU 89.A OE2 no hydrogen 2.682 N/A ARG 73.A NE ILE 71.A O no hydrogen 3.403 N/A ARG 73.A NH1 GLN 65.A O no hydrogen 2.942 N/A ARG 73.A NH2 GLN 65.A O no hydrogen 3.224 N/A ARG 73.A NH2 SER 68.A O no hydrogen 2.618 N/A ARG 73.A NH2 ILE 71.A O no hydrogen 2.847 N/A LEU 74.A N GLN 65.A OE1 no hydrogen 2.843 N/A TYR 75.A N VAL 87.A O no hydrogen 2.786 N/A ASP 76.A N VAL 87.A O no hydrogen 3.177 N/A GLU 78.A N TYR 85.A O no hydrogen 2.852 N/A THR 80.A N TYR 83.A O no hydrogen 2.897 N/A THR 80.A OG1 GLN 82.A OE1 no hydrogen 3.251 N/A GLN 82.A N THR 80.A OG1 no hydrogen 3.292 N/A TYR 83.A OH GLU 78.A OE2 no hydrogen 2.969 N/A ILE 84.A N VAL 41.A O no hydrogen 2.860 N/A TYR 85.A N GLU 78.A O no hydrogen 2.771 N/A MET 86.A N LYS 39.A O no hydrogen 2.786 N/A VAL 87.A N ASP 76.A O no hydrogen 2.632 N/A MET 88.A N ALA 37.A O no hydrogen 2.899 N/A GLU 89.A N ARG 73.A O no hydrogen 2.931 N/A CYS 90.A SG GLY 91.A O no hydrogen 3.547 N/A ASN 92.A N ILE 141.A O no hydrogen 2.992 N/A LEU 95.A N PHE 139.A O no hydrogen 2.934 N/A SER 97.A N ASP 94.A OD2 no hydrogen 3.022 N/A SER 97.A OG ASP 94.A OD1 no hydrogen 2.330 N/A SER 97.A OG ASP 94.A OD2 no hydrogen 3.274 N/A TRP 98.A N ASP 94.A O no hydrogen 2.955 N/A LEU 99.A N LEU 95.A O no hydrogen 2.749 N/A LYS 100.A N ASN 96.A O no hydrogen 2.780 N/A LYS 101.A N SER 97.A O no hydrogen 2.944 N/A LYS 102.A N LEU 99.A O no hydrogen 3.122 N/A ARG 110.A N ASP 106.A O no hydrogen 2.920 N/A ARG 110.A NH1 MET 186.A O no hydrogen 3.064 N/A ARG 110.A NH2 GLU 220.A OE1 no hydrogen 2.754 N/A LYS 111.A N PRO 107.A O no hydrogen 3.112 N/A LYS 111.A NZ ILE 252.A O no hydrogen 2.896 N/A SER 112.A N TRP 108.A O no hydrogen 2.870 N/A TYR 113.A N GLU 109.A O no hydrogen 2.919 N/A TRP 114.A N ARG 110.A O no hydrogen 2.857 N/A LYS 115.A N LYS 111.A O no hydrogen 3.064 N/A ASN 116.A N SER 112.A O no hydrogen 3.313 N/A MET 117.A N TYR 113.A O no hydrogen 2.871 N/A LEU 118.A N TRP 114.A O no hydrogen 2.882 N/A GLU 119.A N LYS 115.A O no hydrogen 3.050 N/A ALA 120.A N ASN 116.A O no hydrogen 3.042 N/A VAL 121.A N MET 117.A O no hydrogen 3.142 N/A HIS 122.A N LEU 118.A O no hydrogen 2.826 N/A THR 123.A N GLU 119.A O no hydrogen 3.094 N/A THR 123.A N ALA 120.A O no hydrogen 2.916 N/A THR 123.A OG1 GLU 119.A O no hydrogen 2.731 N/A ILE 124.A N ALA 120.A O no hydrogen 3.298 N/A HIS 125.A N VAL 121.A O no hydrogen 3.051 N/A HIS 125.A NE2 ASP 175.A OD2 no hydrogen 2.427 N/A GLN 126.A N HIS 122.A O no hydrogen 3.080 N/A HIS 127.A N THR 123.A O no hydrogen 3.245 N/A HIS 127.A N ILE 124.A O no hydrogen 2.696 N/A HIS 127.A ND1 THR 123.A O no hydrogen 3.143 N/A GLY 128.A N HIS 125.A O no hydrogen 3.031 N/A ILE 129.A N ILE 124.A O no hydrogen 3.172 N/A HIS 131.A N ASP 175.A OD2 no hydrogen 3.056 N/A HIS 131.A NE2 ASP 150.A OD1 no hydrogen 2.426 N/A SER 132.A N ASP 175.A OD1 no hydrogen 2.744 N/A SER 132.A OG HIS 131.A O no hydrogen 2.493 N/A ASP 133.A N HIS 131.A ND1 no hydrogen 3.110 N/A LYS 135.A N ASN 138.A OD1 no hydrogen 2.943 N/A LYS 135.A NZ ASP 133.A O no hydrogen 2.601 N/A LYS 135.A NZ ASP 133.A OD2 no hydrogen 3.337 N/A LYS 135.A NZ ASN 138.A OD1 no hydrogen 2.710 N/A ASN 138.A N LYS 135.A O no hydrogen 3.236 N/A PHE 139.A N PRO 136.A O no hydrogen 2.969 N/A LEU 140.A N LYS 147.A O no hydrogen 2.786 N/A ILE 141.A N ILE 93.A O no hydrogen 2.894 N/A VAL 142.A N MET 145.A O no hydrogen 2.712 N/A ASP 143.A N ASN 92.A OD1 no hydrogen 2.962 N/A LEU 146.A N ASN 116.A OD1 no hydrogen 2.965 N/A LYS 147.A N LEU 140.A O no hydrogen 2.699 N/A LYS 147.A NZ ASP 69.A O no hydrogen 2.924 N/A LYS 147.A NZ GLU 89.A OE1 no hydrogen 2.987 N/A LYS 147.A NZ GLU 89.A OE2 no hydrogen 3.128 N/A LEU 148.A N LYS 70.A O no hydrogen 2.940 N/A ILE 149.A N ASN 138.A O no hydrogen 3.310 N/A PHE 151.A N GLU 57.A OE2 no hydrogen 2.737 N/A GLY 152.A N ASP 150.A OD2 no hydrogen 3.197 N/A ALA 154.A N GLU 57.A OE1 no hydrogen 2.883 N/A MET 160.A N VAL 157.A O no hydrogen 3.244 N/A GLU 163.A N GLU 163.A OE2 no hydrogen 2.958 N/A ALA 164.A N PRO 161.A O no hydrogen 3.207 N/A ILE 165.A N PRO 162.A O no hydrogen 3.164 N/A LYS 166.A N PRO 162.A O no hydrogen 3.101 N/A LYS 173.A NZ PRO 235.A O no hydrogen 2.870 N/A LYS 173.A NZ ARG 238.A O no hydrogen 2.789 N/A SER 174.A N SER 171.A O no hydrogen 2.901 N/A SER 174.A OG GLU 163.A OE1 no hydrogen 2.525 N/A SER 174.A OG SER 171.A O no hydrogen 3.420 N/A ASP 175.A N PRO 172.A O no hydrogen 3.074 N/A TRP 177.A N LYS 173.A O no hydrogen 3.196 N/A SER 178.A N SER 174.A O no hydrogen 3.256 N/A SER 178.A OG TYR 159.A O no hydrogen 2.572 N/A SER 178.A OG SER 174.A O no hydrogen 3.545 N/A LEU 179.A N ASP 175.A O no hydrogen 2.896 N/A GLY 180.A N VAL 176.A O no hydrogen 2.879 N/A CYS 181.A N TRP 177.A O no hydrogen 3.033 N/A CYS 181.A SG ASN 158.A O no hydrogen 3.760 N/A CYS 181.A SG TRP 177.A O no hydrogen 3.482 N/A ILE 182.A N SER 178.A O no hydrogen 3.242 N/A LEU 183.A N LEU 179.A O no hydrogen 3.016 N/A TYR 184.A N GLY 180.A O no hydrogen 3.021 N/A TYR 184.A OH GLU 214.A O no hydrogen 2.662 N/A TYR 185.A N CYS 181.A O no hydrogen 3.002 N/A MET 186.A N ILE 182.A O no hydrogen 2.803 N/A THR 187.A N TYR 184.A O no hydrogen 3.030 N/A THR 187.A OG1 LEU 183.A O no hydrogen 2.919 N/A TYR 188.A N TYR 184.A O no hydrogen 2.691 N/A TYR 188.A OH PRO 216.A O no hydrogen 2.732 N/A GLY 189.A N TYR 185.A O no hydrogen 2.654 N/A LYS 190.A NZ GLN 195.A OE1 no hydrogen 2.978 N/A THR 191.A N GLN 194.A OE1 no hydrogen 3.020 N/A THR 191.A OG1 ASN 158.A OD1 no hydrogen 3.091 N/A GLN 194.A N THR 191.A O no hydrogen 3.397 N/A ILE 196.A N PHE 193.A O no hydrogen 3.078 N/A SER 201.A N ASN 198.A OD1 no hydrogen 2.714 N/A LYS 202.A N ASN 198.A O no hydrogen 2.906 N/A LYS 202.A NZ ASN 158.A OD1 no hydrogen 2.535 N/A LEU 203.A N GLN 199.A O no hydrogen 3.393 N/A HIS 204.A N ILE 200.A O no hydrogen 3.000 N/A ALA 205.A N SER 201.A O no hydrogen 2.907 N/A ILE 206.A N LYS 202.A O no hydrogen 2.788 N/A HIS 211.A N ASP 208.A O no hydrogen 3.134 N/A LYS 221.A NZ ILE 218.A O no hydrogen 3.023 N/A GLN 224.A N GLU 220.A O no hydrogen 3.362 N/A GLN 224.A NE2 PHE 215.A O no hydrogen 3.113 N/A GLN 224.A NE2 PRO 216.A O no hydrogen 3.087 N/A ASP 225.A N LYS 221.A O no hydrogen 3.116 N/A VAL 226.A N ASP 222.A O no hydrogen 2.815 N/A LEU 227.A N LEU 223.A O no hydrogen 2.947 N/A LYS 228.A N GLN 224.A O no hydrogen 3.005 N/A CYS 229.A N ASP 225.A O no hydrogen 2.945 N/A CYS 229.A N VAL 226.A O no hydrogen 3.021 N/A CYS 229.A SG ASP 225.A O no hydrogen 3.203 N/A CYS 229.A SG ASP 225.A OD1 no hydrogen 3.699 N/A CYS 230.A N VAL 226.A O no hydrogen 3.039 N/A CYS 230.A SG VAL 226.A O no hydrogen 3.359 N/A LEU 231.A N LEU 227.A O no hydrogen 3.118 N/A ARG 233.A NE ILE 206.A O no hydrogen 2.786 N/A ARG 233.A NH1 HIS 211.A O no hydrogen 3.002 N/A ARG 233.A NH2 HIS 211.A O no hydrogen 2.959 N/A LYS 236.A N ASP 234.A OD1 no hydrogen 3.421 N/A GLN 237.A N ASP 234.A O no hydrogen 2.787 N/A ARG 238.A N ASP 234.A O no hydrogen 2.902 N/A ARG 238.A NE LYS 232.A O no hydrogen 2.936 N/A ARG 238.A NH1 GLU 163.A OE1 no hydrogen 2.756 N/A ARG 238.A NH1 GLU 163.A OE2 no hydrogen 3.338 N/A ARG 238.A NH1 LYS 173.A O no hydrogen 2.926 N/A ARG 238.A NH2 GLU 163.A OE2 no hydrogen 3.046 N/A ARG 238.A NH2 LYS 232.A O no hydrogen 3.113 N/A ILE 239.A N CYS 229.A O no hydrogen 3.367 N/A GLU 243.A N SER 240.A OG no hydrogen 3.157 N/A LEU 244.A N SER 240.A O no hydrogen 2.892 N/A LEU 245.A N ILE 241.A O no hydrogen 3.092 N/A ALA 246.A N GLU 243.A O no hydrogen 2.722 N/A HIS 247.A N LEU 244.A O no hydrogen 3.296 N/A HIS 247.A NE2 ASP 225.A OD1 no hydrogen 2.676 N/A TYR 249.A N HIS 247.A ND1 no hydrogen 2.889 N/A GLN 251.A N HIS 247.A O no hydrogen 3.171 N/A GLN 251.A N PRO 248.A O no hydrogen 3.256 N/A GLN 251.A NE2 LEU 245.A O no hydrogen 3.140 N/A ILE 252.A N PRO 248.A O no hydrogen 2.856 N/A