Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3hpy_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): LEU 6.A N LYS 71.A O no hydrogen 2.832 N/A GLY 9.A N GLY 69.A O no hydrogen 2.504 N/A HIS 10.A N GLY 69.A O no hydrogen 2.990 N/A HIS 10.A NE2 GLU 118.A OE1 no hydrogen 3.032 N/A ALA 11.A N CYS 54.A O no hydrogen 3.065 N/A GLN 12.A N PHE 67.A O no hydrogen 2.900 N/A GLN 12.A NE2 ASP 66.A OD2 no hydrogen 3.155 N/A VAL 13.A N ILE 56.A O no hydrogen 2.818 N/A ARG 14.A N GLY 64.A O no hydrogen 2.746 N/A ARG 14.A NE THR 62.A O no hydrogen 2.713 N/A ARG 14.A NE THR 62.A OG1 no hydrogen 3.392 N/A ARG 14.A NE ALA 63.A O no hydrogen 3.290 N/A ARG 14.A NH1 ASP 66.A OD1 no hydrogen 2.755 N/A ARG 14.A NH2 ALA 63.A O no hydrogen 2.834 N/A VAL 15.A N ARG 58.A O no hydrogen 3.152 N/A LEU 16.A N SER 261.A OG no hydrogen 2.890 N/A GLU 20.A N ASN 17.A OD1 no hydrogen 2.835 N/A GLY 21.A N ASN 17.A O no hydrogen 2.816 N/A ILE 22.A N LEU 18.A O no hydrogen 2.897 N/A HIS 23.A N GLU 19.A O no hydrogen 2.969 N/A PHE 24.A N GLU 20.A O no hydrogen 3.045 N/A TYR 25.A N GLY 21.A O no hydrogen 2.990 N/A TYR 25.A OH ASP 259.A OD1 no hydrogen 2.505 N/A ARG 26.A N ILE 22.A O no hydrogen 2.909 N/A ASN 27.A N HIS 23.A O no hydrogen 2.959 N/A VAL 28.A N PHE 24.A O no hydrogen 2.924 N/A LEU 29.A N PHE 24.A O no hydrogen 3.127 N/A LEU 31.A N TYR 25.A O no hydrogen 2.910 N/A VAL 32.A N LYS 45.A O no hydrogen 2.819 N/A THR 34.A N TYR 43.A O no hydrogen 2.736 N/A THR 34.A OG1 TYR 43.A O no hydrogen 3.268 N/A THR 34.A OG1 HIS 52.A O no hydrogen 2.757 N/A ARG 36.A NE GLU 33.A OE2 no hydrogen 2.752 N/A ARG 36.A NH2 GLU 33.A OE1 no hydrogen 2.915 N/A ASP 37.A N ARG 41.A O no hydrogen 3.112 N/A GLN 39.A N ASP 37.A OD2 no hydrogen 3.194 N/A GLY 40.A N ASP 37.A O no hydrogen 2.962 N/A ARG 41.A N ASP 37.A OD2 no hydrogen 2.707 N/A ARG 41.A NE GLN 12.A OE1 no hydrogen 3.006 N/A ARG 41.A NH1 ASP 37.A OD1 no hydrogen 3.317 N/A ARG 41.A NH1 GLU 99.A O no hydrogen 3.240 N/A ARG 41.A NH2 GLN 12.A OE1 no hydrogen 2.740 N/A VAL 42.A N ILE 57.A O no hydrogen 3.007 N/A TYR 43.A N GLY 35.A O no hydrogen 2.892 N/A TYR 43.A OH ASP 37.A OD1 no hydrogen 2.964 N/A PHE 44.A N TYR 55.A O no hydrogen 2.964 N/A LYS 45.A N VAL 32.A O no hydrogen 2.994 N/A LYS 45.A NZ GLU 49.A O no hydrogen 2.798 N/A LYS 45.A NZ ASP 51.A O no hydrogen 3.006 N/A LYS 45.A NZ GLY 127.A O no hydrogen 2.740 N/A CYS 46.A N GLU 49.A OE1 no hydrogen 2.872 N/A GLU 49.A N CYS 46.A O no hydrogen 3.182 N/A HIS 52.A N THR 124.A O no hydrogen 2.820 N/A HIS 52.A NE2 THR 34.A O no hydrogen 3.063 N/A CYS 54.A N PHE 44.A O no hydrogen 2.851 N/A CYS 54.A SG PHE 44.A O no hydrogen 4.041 N/A CYS 54.A SG GLU 49.A OE1 no hydrogen 3.205 N/A CYS 54.A SG GLU 49.A OE2 no hydrogen 3.807 N/A TYR 55.A N PHE 44.A O no hydrogen 3.212 N/A TYR 55.A OH TYR 25.A OH no hydrogen 2.981 N/A ILE 56.A N ALA 11.A O no hydrogen 2.946 N/A ILE 57.A N VAL 42.A O no hydrogen 3.060 N/A ARG 58.A N VAL 13.A O no hydrogen 3.138 N/A ARG 58.A NE ASP 66.A OD2 no hydrogen 2.799 N/A ARG 58.A NH2 ASP 66.A OD1 no hydrogen 3.058 N/A ARG 58.A NH2 ASP 66.A OD2 no hydrogen 3.349 N/A ALA 60.A N VAL 15.A O no hydrogen 2.955 N/A ASP 66.A N GLN 12.A O no hydrogen 2.681 N/A PHE 68.A N LEU 116.A O no hydrogen 3.085 N/A GLY 69.A N HIS 10.A O no hydrogen 2.736 N/A PHE 70.A N GLU 118.A O no hydrogen 2.786 N/A LYS 71.A N ARG 7.A O no hydrogen 3.132 N/A LYS 71.A NZ ALA 121.A O no hydrogen 2.834 N/A VAL 72.A N TYR 120.A O no hydrogen 2.649 N/A LEU 73.A N GLY 4.A O no hydrogen 2.902 N/A THR 77.A N ASP 74.A OD1 no hydrogen 2.781 N/A THR 77.A OG1 ASP 74.A OD1 no hydrogen 2.545 N/A LEU 78.A N ASP 74.A O no hydrogen 2.944 N/A GLU 79.A N LYS 75.A O no hydrogen 2.941 N/A LYS 80.A N ALA 76.A O no hydrogen 3.002 N/A LYS 80.A NZ ASP 84.A OD1 no hydrogen 2.777 N/A LYS 80.A NZ ASP 84.A OD2 no hydrogen 3.087 N/A LEU 81.A N THR 77.A O no hydrogen 2.855 N/A ASP 82.A N LEU 78.A O no hydrogen 3.040 N/A ALA 83.A N GLU 79.A O no hydrogen 3.112 N/A ASP 84.A N LYS 80.A O no hydrogen 2.937 N/A LEU 85.A N LEU 81.A O no hydrogen 2.774 N/A GLN 86.A N ASP 82.A O no hydrogen 2.952 N/A GLN 86.A NE2 ASP 82.A O no hydrogen 3.513 N/A GLN 86.A NE2 ASP 82.A OD2 no hydrogen 2.794 N/A ALA 87.A N ALA 83.A O no hydrogen 2.869 N/A TYR 88.A N ASP 84.A O no hydrogen 2.978 N/A GLY 89.A N GLN 86.A O no hydrogen 2.714 N/A LEU 90.A N LEU 85.A O no hydrogen 3.102 N/A THR 92.A OG1 ASP 82.A OD2 no hydrogen 2.575 N/A THR 93.A N ARG 108.A O no hydrogen 2.822 N/A ARG 94.A NE GLU 105.A OE1 no hydrogen 3.205 N/A ARG 94.A NH1 GLU 79.A OE2 no hydrogen 3.190 N/A ARG 94.A NH1 ASP 82.A OD1 no hydrogen 2.790 N/A ARG 94.A NH2 GLU 79.A OE1 no hydrogen 2.621 N/A ARG 94.A NH2 GLU 79.A OE2 no hydrogen 2.936 N/A ARG 94.A NH2 GLU 105.A OE2 no hydrogen 3.432 N/A ILE 95.A N ARG 106.A O no hydrogen 2.759 N/A GLY 98.A N THR 103.A O no hydrogen 2.792 N/A GLU 99.A N PRO 96.A O no hydrogen 3.215 N/A LEU 101.A N TYR 43.A OH no hydrogen 3.306 N/A THR 103.A N MET 100.A O no hydrogen 2.898 N/A THR 103.A OG1 LEU 101.A O no hydrogen 2.961 N/A GLY 104.A N GLU 122.A O no hydrogen 2.805 N/A ARG 106.A N ILE 95.A O no hydrogen 2.743 N/A ARG 106.A NH1 GLU 118.A OE1 no hydrogen 2.832 N/A ARG 106.A NH2 GLU 99.A OE2 no hydrogen 2.639 N/A VAL 107.A N LEU 119.A O no hydrogen 2.777 N/A ARG 108.A N THR 93.A O no hydrogen 2.906 N/A ARG 108.A NE GLU 118.A OE2 no hydrogen 2.918 N/A ARG 108.A NH2 GLU 118.A OE2 no hydrogen 2.657 N/A PHE 109.A N ILE 117.A O no hydrogen 2.864 N/A LEU 111.A N HIS 115.A O no hydrogen 2.838 N/A SER 113.A OG HIS 115.A ND1 no hydrogen 2.853 N/A GLY 114.A N LEU 111.A O no hydrogen 2.748 N/A HIS 115.A ND1 SER 113.A OG no hydrogen 2.853 N/A HIS 115.A NE2 LYS 212.A O no hydrogen 2.911 N/A ILE 117.A N PHE 109.A O no hydrogen 2.766 N/A GLU 118.A N PHE 68.A O no hydrogen 2.954 N/A LEU 119.A N VAL 107.A O no hydrogen 2.786 N/A TYR 120.A N PHE 70.A O no hydrogen 3.025 N/A LYS 123.A NZ HIS 10.A ND1 no hydrogen 3.109 N/A LYS 123.A NZ SER 53.A O no hydrogen 3.075 N/A LYS 123.A NZ SER 53.A OG no hydrogen 2.929 N/A THR 124.A N GLU 102.A O no hydrogen 3.070 N/A THR 124.A OG1 GLU 102.A O no hydrogen 3.144 N/A THR 124.A OG1 GLU 102.A OE1 no hydrogen 2.549 N/A CYS 125.A SG ARG 50.A O no hydrogen 3.647 N/A VAL 126.A N ARG 50.A O no hydrogen 2.764 N/A GLY 127.A N ARG 50.A O no hydrogen 3.015 N/A ASN 128.A ND2 ILE 130.A O no hydrogen 3.539 N/A SER 131.A OG VAL 133.A O no hydrogen 3.109 N/A VAL 133.A N SER 131.A OG no hydrogen 3.036 N/A GLN 141.A N ASN 139.A OD1 no hydrogen 2.740 N/A ARG 142.A N ASN 139.A O no hydrogen 2.931 N/A GLU 143.A N ALA 140.A O no hydrogen 2.928 N/A HIS 144.A N GLN 141.A O no hydrogen 3.161 N/A ILE 146.A N VAL 28.A O no hydrogen 2.694 N/A ALA 147.A N LEU 29.A O no hydrogen 2.856 N/A ILE 149.A N LEU 219.A O no hydrogen 2.737 N/A GLN 150.A NE2 ASP 152.A OD1 no hydrogen 3.186 N/A LEU 151.A N GLU 49.A OE2 no hydrogen 2.887 N/A ASP 152.A N SER 217.A O no hydrogen 2.762 N/A HIS 153.A ND1 ASP 152.A OD2 no hydrogen 2.686 N/A LEU 155.A N HIS 215.A O no hydrogen 2.882 N/A LEU 156.A N ALA 203.A O no hydrogen 2.994 N/A TYR 157.A N LYS 212.A O no hydrogen 2.933 N/A GLY 158.A N VAL 205.A O no hydrogen 2.946 N/A ASN 160.A N GLU 206.A OE2 no hydrogen 3.002 N/A ASN 160.A ND2 PRO 112.A O no hydrogen 3.458 N/A ILE 161.A N GLU 206.A OE1 no hydrogen 3.044 N/A GLU 163.A N ASN 160.A O no hydrogen 3.209 N/A VAL 164.A N ASN 160.A O no hydrogen 3.219 N/A GLN 165.A N ILE 161.A O no hydrogen 2.822 N/A LYS 166.A N ALA 162.A O no hydrogen 3.256 N/A ILE 167.A N GLU 163.A O no hydrogen 3.257 N/A PHE 168.A N VAL 164.A O no hydrogen 3.143 N/A THR 169.A N GLN 165.A O no hydrogen 2.901 N/A THR 169.A OG1 GLN 165.A O no hydrogen 2.927 N/A THR 169.A OG1 LYS 166.A O no hydrogen 3.431 N/A GLU 170.A N LYS 166.A O no hydrogen 2.715 N/A VAL 171.A N ILE 167.A O no hydrogen 2.921 N/A LEU 172.A N ILE 167.A O no hydrogen 3.142 N/A PHE 174.A N PHE 168.A O no hydrogen 2.892 N/A TYR 175.A N SER 194.A O no hydrogen 2.888 N/A TYR 175.A OH SER 196.A O no hydrogen 2.913 N/A VAL 177.A N TRP 192.A O no hydrogen 2.848 N/A GLU 178.A N TRP 192.A O no hydrogen 3.432 N/A ARG 179.A N LEU 281.A O no hydrogen 2.908 N/A ARG 179.A NH1 ASP 188.A OD1 no hydrogen 3.514 N/A VAL 180.A N GLY 190.A O no hydrogen 2.978 N/A LEU 181.A N TRP 283.A O no hydrogen 2.619 N/A SER 182.A N SER 187.A O no hydrogen 3.039 N/A SER 182.A OG SER 187.A OG no hydrogen 3.264 N/A SER 187.A N SER 182.A OG no hydrogen 2.915 N/A SER 187.A OG SER 182.A OG no hydrogen 3.264 N/A MET 189.A N VAL 180.A O no hydrogen 2.795 N/A ILE 191.A N PHE 204.A O no hydrogen 2.835 N/A TRP 192.A N GLU 178.A O no hydrogen 3.066 N/A LEU 193.A N ILE 202.A O no hydrogen 2.957 N/A SER 194.A N TYR 175.A O no hydrogen 2.965 N/A SER 194.A OG SER 196.A O no hydrogen 3.132 N/A SER 194.A OG LYS 198.A O no hydrogen 2.874 N/A SER 194.A OG ASP 201.A OD2 no hydrogen 3.426 N/A CYS 195.A N ASP 201.A OD2 no hydrogen 2.863 N/A CYS 195.A SG VAL 5.A O no hydrogen 3.607 N/A CYS 195.A SG LEU 6.A O no hydrogen 3.616 N/A SER 196.A N SER 194.A OG no hydrogen 3.115 N/A SER 196.A OG ASP 201.A OD2 no hydrogen 2.847 N/A LYS 198.A N SER 196.A OG no hydrogen 3.261 N/A LYS 198.A NZ ASP 201.A OD1 no hydrogen 2.733 N/A ASP 201.A N LEU 193.A O no hydrogen 2.711 N/A ILE 202.A N LEU 193.A O no hydrogen 3.307 N/A ALA 203.A N CYS 154.A O no hydrogen 3.088 N/A PHE 204.A N ILE 191.A O no hydrogen 2.797 N/A VAL 205.A N LEU 156.A O no hydrogen 2.901 N/A GLU 206.A N MET 189.A O no hydrogen 2.889 N/A TYR 207.A N GLY 158.A O no hydrogen 2.695 N/A GLY 211.A N SER 113.A O no hydrogen 2.913 N/A LYS 212.A NZ GLU 209.A OE1 no hydrogen 2.708 N/A HIS 214.A N LEU 155.A O no hydrogen 2.884 N/A HIS 215.A N LEU 155.A O no hydrogen 3.450 N/A CYS 216.A N ARG 264.A O no hydrogen 3.407 N/A SER 217.A N HIS 153.A O no hydrogen 2.805 N/A SER 217.A OG GLU 266.A OE1 no hydrogen 2.559 N/A PHE 218.A N GLU 266.A O no hydrogen 2.632 N/A LEU 219.A N GLN 150.A O no hydrogen 3.004 N/A LEU 220.A N PHE 268.A O no hydrogen 2.653 N/A VAL 226.A N SER 222.A O no hydrogen 3.283 N/A LEU 227.A N TRP 223.A O no hydrogen 3.162 N/A ARG 228.A N GLU 224.A O no hydrogen 2.936 N/A ARG 228.A NH1 GLY 145.A O no hydrogen 3.032 N/A ARG 228.A NH1 ILE 146.A O no hydrogen 3.171 N/A ARG 228.A NH2 GLY 145.A O no hydrogen 3.117 N/A ALA 229.A N GLN 225.A O no hydrogen 2.818 N/A GLY 230.A N VAL 226.A O no hydrogen 3.037 N/A ASP 231.A N LEU 227.A O no hydrogen 3.054 N/A ILE 232.A N ARG 228.A O no hydrogen 2.991 N/A MET 233.A N ALA 229.A O no hydrogen 3.100 N/A SER 234.A N GLY 230.A O no hydrogen 3.191 N/A MET 235.A N ASP 231.A O no hydrogen 3.033 N/A ASN 236.A N ILE 232.A O no hydrogen 3.104 N/A ASN 236.A N MET 233.A O no hydrogen 3.067 N/A GLU 237.A N SER 234.A O no hydrogen 3.045 N/A VAL 238.A N MET 233.A O no hydrogen 2.746 N/A ASP 241.A N TYR 256.A O no hydrogen 2.799 N/A THR 245.A N THR 254.A O no hydrogen 3.046 N/A ARG 246.A NH1 ARG 251.A O no hydrogen 2.871 N/A HIS 247.A N GLY 252.A O no hydrogen 2.882 N/A HIS 247.A NE2 GLU 266.A OE2 no hydrogen 2.764 N/A ARG 251.A N GLY 248.A O no hydrogen 3.305 N/A CYS 253.A N MET 269.A O no hydrogen 3.208 N/A THR 254.A N THR 245.A O no hydrogen 2.640 N/A THR 254.A OG1 GLU 266.A OE2 no hydrogen 2.892 N/A ILE 255.A N THR 267.A O no hydrogen 3.140 N/A TYR 256.A N ILE 242.A O no hydrogen 2.879 N/A ALA 257.A N PHE 265.A O no hydrogen 2.963 N/A TRP 258.A N ASN 239.A O no hydrogen 2.772 N/A ASP 259.A N ASN 263.A O no hydrogen 2.732 N/A GLY 262.A N ASP 259.A O no hydrogen 2.916 N/A ARG 264.A NE ASP 241.A OD2 no hydrogen 2.787 N/A ARG 264.A NH1 HIS 214.A O no hydrogen 2.781 N/A ARG 264.A NH2 ASP 241.A OD2 no hydrogen 3.155 N/A PHE 265.A N ALA 257.A O no hydrogen 2.827 N/A GLU 266.A N CYS 216.A O no hydrogen 2.928 N/A THR 267.A N ILE 255.A O no hydrogen 3.248 N/A PHE 268.A N PHE 218.A O no hydrogen 3.062 N/A TYR 272.A OH GLU 178.A OE2 no hydrogen 2.851 N/A TYR 278.A N TYR 275.A O no hydrogen 2.782 N/A LEU 281.A N VAL 177.A O no hydrogen 2.876 N/A TRP 283.A N ARG 179.A O no hydrogen 2.716 N/A TRP 283.A NE1 GLU 178.A OE1 no hydrogen 2.552 N/A THR 284.A OG1 ASP 286.A OD1 no hydrogen 2.764 N/A PHE 288.A N TYR 285.A O no hydrogen 2.872 N/A