Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3b1y_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): MET 1.A N ASP 48.A O no hydrogen 2.953 N/A THR 2.A N ASP 48.A O no hydrogen 3.095 N/A GLU 3.A N ASP 80.A OD2 no hydrogen 2.722 N/A ILE 4.A N GLU 50.A O no hydrogen 2.834 N/A ALA 5.A N SER 81.A O no hydrogen 2.790 N/A LEU 6.A N GLN 52.A O no hydrogen 2.823 N/A ILE 7.A N LEU 83.A O no hydrogen 3.265 N/A ASN 9.A ND2 ILE 57.A O no hydrogen 2.909 N/A SER 12.A OG ASN 9.A O no hydrogen 2.681 N/A LYS 14.A NZ ASP 53.A OD1 no hydrogen 2.684 N/A LYS 14.A NZ ASP 53.A OD2 no hydrogen 3.074 N/A LYS 14.A NZ LEU 54.A O no hydrogen 2.530 N/A LEU 17.A N GLY 13.A O no hydrogen 2.924 N/A PHE 18.A N LYS 14.A O no hydrogen 2.735 N/A ASN 19.A N THR 15.A O no hydrogen 2.794 N/A LEU 20.A N SER 16.A O no hydrogen 3.166 N/A ILE 21.A N LEU 17.A O no hydrogen 2.976 N/A THR 22.A N PHE 18.A O no hydrogen 3.120 N/A THR 22.A OG1 PHE 18.A O no hydrogen 2.713 N/A GLY 23.A N ASN 19.A O no hydrogen 2.831 N/A ASN 25.A N THR 22.A O no hydrogen 3.075 N/A ASN 25.A ND2 THR 22.A O no hydrogen 2.758 N/A ASN 25.A ND2 LEU 42.A O no hydrogen 3.600 N/A GLN 26.A NE2 ASN 19.A OD1 no hydrogen 2.777 N/A GLN 26.A NE2 GLY 23.A O no hydrogen 3.254 N/A ARG 27.A N SER 40.A O no hydrogen 2.775 N/A GLY 29.A N ARG 38.A O no hydrogen 2.920 N/A ASN 30.A ND2 TRP 31.A O no hydrogen 2.960 N/A TRP 31.A N VAL 36.A O no hydrogen 3.129 N/A VAL 34.A N TRP 31.A O no hydrogen 3.274 N/A VAL 36.A N VAL 34.A O no hydrogen 2.931 N/A ARG 38.A N GLY 29.A O no hydrogen 3.075 N/A ARG 38.A NE GLN 52.A OE1 no hydrogen 3.375 N/A ARG 38.A NH2 GLN 52.A OE1 no hydrogen 3.475 N/A SER 40.A N ARG 27.A O no hydrogen 3.151 N/A GLY 41.A N ILE 51.A O no hydrogen 2.913 N/A VAL 43.A N LEU 49.A O no hydrogen 2.997 N/A LYS 44.A N ILE 21.A O no hydrogen 2.722 N/A LYS 45.A NZ ASP 146.A OD2 no hydrogen 2.637 N/A ASN 46.A N VAL 43.A O no hydrogen 3.044 N/A ASP 48.A N ASN 46.A OD1 no hydrogen 3.413 N/A LEU 49.A N ASN 46.A O no hydrogen 3.095 N/A GLU 50.A N THR 2.A O no hydrogen 2.964 N/A ILE 51.A N GLY 41.A O no hydrogen 2.682 N/A GLN 52.A N ILE 4.A O no hydrogen 2.761 N/A GLN 52.A NE2 ASP 53.A O no hydrogen 2.733 N/A ASP 53.A N LYS 39.A O no hydrogen 2.869 N/A LEU 54.A N LEU 6.A O no hydrogen 2.868 N/A ILE 57.A N GLY 8.A O no hydrogen 3.151 N/A MET 60.A N GLN 100.A OE1 no hydrogen 2.753 N/A SER 61.A N GLU 67.A OE1 no hydrogen 2.927 N/A SER 61.A OG GLU 67.A OE1 no hydrogen 2.424 N/A TYR 63.A N SER 61.A OG no hydrogen 3.297 N/A GLU 67.A N SER 64.A OG no hydrogen 3.393 N/A LYS 68.A N SER 64.A O no hydrogen 3.011 N/A LYS 68.A NZ ASP 72.A OD2 no hydrogen 2.570 N/A VAL 69.A N PRO 65.A O no hydrogen 3.039 N/A ALA 70.A N GLU 66.A O no hydrogen 2.935 N/A ARG 71.A N GLU 67.A O no hydrogen 2.880 N/A ARG 71.A NH1 ASP 203.A OD1 no hydrogen 3.516 N/A ARG 71.A NH1 ASP 203.A OD2 no hydrogen 3.023 N/A ARG 71.A NH2 MET 60.A O no hydrogen 2.900 N/A ARG 71.A NH2 ASP 203.A OD1 no hydrogen 2.915 N/A ASP 72.A N LYS 68.A O no hydrogen 2.744 N/A TYR 73.A N VAL 69.A O no hydrogen 2.977 N/A LEU 74.A N ALA 70.A O no hydrogen 3.172 N/A LEU 75.A N ARG 71.A O no hydrogen 2.944 N/A SER 76.A N TYR 73.A O no hydrogen 3.202 N/A SER 76.A OG TYR 73.A O no hydrogen 2.531 N/A ASP 80.A N GLU 3.A O no hydrogen 2.868 N/A SER 81.A N GLU 3.A O no hydrogen 3.199 N/A SER 81.A OG ALA 152.A O no hydrogen 3.471 N/A ILE 82.A N PRO 107.A O no hydrogen 3.024 N/A LEU 83.A N ALA 5.A O no hydrogen 2.944 N/A ASN 84.A N THR 109.A O no hydrogen 2.739 N/A ASN 84.A ND2 ILE 7.A O no hydrogen 3.319 N/A VAL 85.A N ILE 7.A O no hydrogen 2.817 N/A VAL 86.A N ALA 111.A O no hydrogen 2.870 N/A ASP 87.A N ASN 94.A OD1 no hydrogen 2.907 N/A ALA 88.A N ASN 113.A O no hydrogen 2.876 N/A THR 89.A N ASP 87.A OD1 no hydrogen 2.903 N/A THR 89.A OG1 ASP 87.A OD1 no hydrogen 2.722 N/A THR 89.A OG1 ASP 87.A OD2 no hydrogen 3.363 N/A ASN 90.A N ASP 87.A O no hydrogen 3.062 N/A GLU 92.A N GLU 92.A OE1 no hydrogen 2.581 N/A ASN 94.A N ASN 90.A O no hydrogen 3.379 N/A ASN 94.A ND2 ASN 90.A O no hydrogen 2.954 N/A LEU 95.A N LEU 91.A O no hydrogen 3.104 N/A TYR 96.A N ARG 93.A O no hydrogen 3.297 N/A THR 98.A N ASN 94.A O no hydrogen 3.509 N/A THR 98.A OG1 ASN 84.A OD1 no hydrogen 2.497 N/A THR 99.A N LEU 95.A O no hydrogen 3.045 N/A THR 99.A OG1 TYR 96.A O no hydrogen 2.835 N/A GLN 100.A NE2 SER 59.A OG no hydrogen 2.803 N/A LEU 101.A N LEU 97.A O no hydrogen 2.872 N/A ILE 102.A N THR 98.A O no hydrogen 3.017 N/A GLU 103.A N THR 99.A O no hydrogen 3.338 N/A THR 104.A N LEU 101.A O no hydrogen 3.323 N/A THR 104.A OG1 LEU 101.A O no hydrogen 2.688 N/A GLY 105.A N ILE 102.A O no hydrogen 3.111 N/A ILE 106.A N THR 104.A OG1 no hydrogen 3.307 N/A THR 109.A N ILE 82.A O no hydrogen 2.913 N/A ILE 110.A N PRO 133.A O no hydrogen 2.829 N/A ALA 111.A N ASN 84.A O no hydrogen 2.972 N/A LEU 112.A N VAL 135.A O no hydrogen 2.890 N/A ASN 113.A N VAL 86.A O no hydrogen 2.735 N/A ASN 113.A ND2 SER 12.A O no hydrogen 2.818 N/A ILE 115.A N THR 137.A O no hydrogen 3.305 N/A VAL 117.A N MET 114.A O no hydrogen 3.220 N/A LEU 118.A N MET 114.A O no hydrogen 3.433 N/A LYS 125.A N ASN 122.A OD1 no hydrogen 3.360 N/A LEU 126.A N ASN 122.A O no hydrogen 2.886 N/A SER 127.A N VAL 123.A O no hydrogen 2.935 N/A SER 127.A OG VAL 132.A O no hydrogen 2.839 N/A TYR 128.A N ASP 124.A O no hydrogen 3.145 N/A HIS 129.A N LYS 125.A O no hydrogen 3.301 N/A HIS 129.A ND1 LYS 125.A O no hydrogen 2.862 N/A LEU 130.A N LEU 126.A O no hydrogen 3.140 N/A GLY 131.A N SER 127.A O no hydrogen 2.987 N/A VAL 135.A N ILE 110.A O no hydrogen 2.924 N/A THR 137.A N LEU 112.A O no hydrogen 3.007 N/A THR 137.A OG1 ASN 113.A OD1 no hydrogen 3.124 N/A SER 138.A N THR 143.A O no hydrogen 2.798 N/A SER 138.A OG ASP 116.A OD1 no hydrogen 2.638 N/A ALA 139.A N ASN 113.A OD1 no hydrogen 3.336 N/A LYS 141.A N SER 138.A OG no hydrogen 3.250 N/A GLN 142.A NE2 ALA 139.A O no hydrogen 2.803 N/A THR 143.A N SER 138.A O no hydrogen 2.961 N/A GLN 147.A N GLN 147.A OE1 no hydrogen 2.682 N/A VAL 148.A N GLY 144.A O no hydrogen 2.925 N/A VAL 149.A N VAL 145.A O no hydrogen 3.073 N/A LYS 150.A N ASP 146.A O no hydrogen 2.997 N/A LYS 151.A N GLN 147.A O no hydrogen 2.876 N/A ALA 152.A N VAL 148.A O no hydrogen 2.918 N/A ALA 153.A N VAL 149.A O no hydrogen 2.937 N/A HIS 154.A N LYS 150.A O no hydrogen 3.234 N/A HIS 154.A N LYS 151.A O no hydrogen 3.053 N/A HIS 154.A ND1 LYS 150.A O no hydrogen 2.696 N/A THR 155.A N ALA 152.A O no hydrogen 3.067 N/A THR 155.A OG1 LYS 151.A O no hydrogen 2.791 N/A THR 156.A N THR 159.A OG1 no hydrogen 2.871 N/A THR 156.A OG1 SER 158.A OG no hydrogen 3.368 N/A THR 156.A OG1 THR 159.A OG1 no hydrogen 3.292 N/A THR 157.A N ASP 80.A O no hydrogen 3.092 N/A SER 158.A N THR 156.A OG1 no hydrogen 3.256 N/A SER 158.A OG THR 156.A OG1 no hydrogen 3.368 N/A THR 159.A N THR 156.A O no hydrogen 3.266 N/A THR 159.A N THR 156.A OG1 no hydrogen 3.125 N/A THR 159.A OG1 HIS 154.A O no hydrogen 3.010 N/A THR 159.A OG1 THR 156.A O no hydrogen 3.414 N/A THR 159.A OG1 THR 156.A OG1 no hydrogen 3.292 N/A VAL 160.A N THR 156.A O no hydrogen 2.949 N/A TYR 168.A N GLU 173.A OE2 no hydrogen 2.802 N/A TYR 168.A OH GLU 103.A OE2 no hydrogen 2.861 N/A ASP 169.A N GLU 242.A OE1 no hydrogen 3.130 N/A ARG 171.A N ASP 169.A OD1 no hydrogen 2.862 N/A ARG 171.A NE ASP 169.A OD1 no hydrogen 2.885 N/A ARG 171.A NH2 ASP 169.A OD2 no hydrogen 3.245 N/A LEU 172.A N ASP 169.A O no hydrogen 3.004 N/A GLU 173.A N ASP 169.A O no hydrogen 2.980 N/A ALA 174.A N ASP 170.A O no hydrogen 2.853 N/A ILE 176.A N LEU 172.A O no hydrogen 2.946 N/A SER 177.A N GLU 173.A O no hydrogen 2.751 N/A SER 177.A OG GLU 173.A O no hydrogen 3.281 N/A GLN 178.A N ALA 174.A O no hydrogen 2.926 N/A ILE 179.A N ALA 175.A O no hydrogen 2.960 N/A LEU 180.A N ILE 176.A O no hydrogen 2.829 N/A GLU 181.A N SER 177.A O no hydrogen 2.928 N/A VAL 182.A N GLN 178.A O no hydrogen 3.021 N/A LEU 183.A N ILE 179.A O no hydrogen 2.780 N/A GLY 184.A N LEU 180.A O no hydrogen 2.877 N/A SER 186.A N LEU 183.A O no hydrogen 3.037 N/A SER 186.A OG LEU 183.A O no hydrogen 3.302 N/A ARG 190.A NH1 GLY 105.A O no hydrogen 2.827 N/A ARG 193.A NH1 GLU 173.A OE1 no hydrogen 3.010 N/A ARG 193.A NH2 PRO 166.A O no hydrogen 2.962 N/A ARG 193.A NH2 GLU 173.A OE1 no hydrogen 3.517 N/A ARG 193.A NH2 GLU 173.A OE2 no hydrogen 2.714 N/A TYR 195.A N SER 191.A O no hydrogen 3.162 N/A TYR 195.A OH GLU 209.A OE2 no hydrogen 3.067 N/A ALA 196.A N ALA 192.A O no hydrogen 2.883 N/A ILE 197.A N ARG 193.A O no hydrogen 3.024 N/A LYS 198.A N PHE 194.A O no hydrogen 3.095 N/A LYS 198.A NZ GLU 201.A OE1 no hydrogen 2.783 N/A LEU 199.A N TYR 195.A O no hydrogen 2.872 N/A PHE 200.A N ALA 196.A O no hydrogen 3.000 N/A GLU 201.A N ILE 197.A O no hydrogen 2.970 N/A GLN 202.A N LEU 199.A O no hydrogen 2.882 N/A ASP 203.A N LYS 198.A O no hydrogen 2.956 N/A VAL 206.A N ASP 203.A OD2 no hydrogen 3.076 N/A GLU 207.A N ASP 203.A O no hydrogen 3.053 N/A ALA 208.A N SER 204.A O no hydrogen 3.098 N/A GLU 209.A N VAL 206.A O no hydrogen 3.282 N/A LEU 210.A N VAL 206.A O no hydrogen 3.213 N/A SER 213.A N GLN 216.A OE1 no hydrogen 3.225 N/A SER 213.A OG GLN 216.A OE1 no hydrogen 3.257 N/A GLN 216.A N SER 213.A OG no hydrogen 3.194 N/A GLN 216.A NE2 VAL 182.A O no hydrogen 3.131 N/A GLN 216.A NE2 SER 186.A OG no hydrogen 3.030 N/A ARG 217.A N SER 213.A O no hydrogen 2.824 N/A LYS 218.A N GLN 214.A O no hydrogen 2.947 N/A LYS 218.A NZ ASP 222.A OD1 no hydrogen 3.367 N/A GLU 219.A N PHE 215.A O no hydrogen 3.298 N/A ILE 220.A N GLN 216.A O no hydrogen 3.175 N/A GLU 221.A N ARG 217.A O no hydrogen 3.100 N/A ASP 222.A N LYS 218.A O no hydrogen 3.025 N/A ILE 223.A N GLU 219.A O no hydrogen 3.039 N/A ILE 224.A N ILE 220.A O no hydrogen 3.069 N/A ARG 225.A N GLU 221.A O no hydrogen 2.836 N/A ILE 226.A N ASP 222.A O no hydrogen 2.964 N/A THR 227.A N ILE 223.A O no hydrogen 3.093 N/A THR 227.A OG1 ILE 223.A O no hydrogen 2.583 N/A GLU 228.A N ILE 224.A O no hydrogen 3.165 N/A ILE 230.A N ILE 226.A O no hydrogen 3.071 N/A PHE 231.A N THR 227.A O no hydrogen 3.065 N/A THR 232.A OG1 GLU 229.A O no hydrogen 3.502 N/A ALA 235.A N GLU 228.A OE2 no hydrogen 2.812 N/A SER 237.A N ASP 234.A OD2 no hydrogen 3.012 N/A SER 237.A OG ASP 234.A OD1 no hydrogen 2.793 N/A SER 237.A OG ASP 234.A OD2 no hydrogen 3.282 N/A ILE 238.A N ASP 234.A O no hydrogen 2.924 N/A VAL 239.A N ALA 235.A O no hydrogen 3.243 N/A ILE 240.A N GLU 236.A O no hydrogen 2.929 N/A ASN 241.A N SER 237.A O no hydrogen 2.979 N/A GLU 242.A N ILE 238.A O no hydrogen 2.931 N/A ARG 243.A N VAL 239.A O no hydrogen 3.017 N/A ARG 243.A NH1 THR 99.A OG1 no hydrogen 2.906 N/A ARG 243.A NH1 GLU 103.A OE1 no hydrogen 3.013 N/A ARG 243.A NH1 GLU 103.A OE2 no hydrogen 3.104 N/A ARG 243.A NH2 GLU 103.A OE1 no hydrogen 2.739 N/A TYR 244.A N ILE 240.A O no hydrogen 3.229 N/A ALA 245.A N ASN 241.A O no hydrogen 2.956 N/A PHE 246.A N GLU 242.A O no hydrogen 3.036 N/A ILE 247.A N ARG 243.A O no hydrogen 3.040 N/A GLU 248.A N TYR 244.A O no hydrogen 2.731 N/A ARG 249.A N ALA 245.A O no hydrogen 2.954 N/A ARG 249.A NH2 ILE 167.A O no hydrogen 3.440 N/A VAL 250.A N PHE 246.A O no hydrogen 3.142 N/A CYS 251.A N ILE 247.A O no hydrogen 3.101 N/A CYS 251.A SG ILE 247.A O no hydrogen 3.185 N/A GLN 252.A N GLU 248.A O no hydrogen 3.170 N/A MET 253.A N ARG 249.A O no hydrogen 2.904 N/A