Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 2xmz_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): MET 1.A N HIS 3.A ND1 no hydrogen 3.409 N/A THR 2.A OG1 MET 1.A O no hydrogen 2.768 N/A THR 2.A OG1 GLU 53.A O no hydrogen 3.081 N/A THR 2.A OG1 GLN 55.A OE1.A no hydrogen 3.043 N/A HIS 3.A N HIS 3.A ND1 no hydrogen 2.990 N/A HIS 3.A ND1 MET 1.A O no hydrogen 3.207 N/A LYS 5.A N THR 45.A O no hydrogen 2.828 N/A TYR 7.A N VAL 43.A O no hydrogen 2.673 N/A ALA 9.A N HIS 42.A ND1 no hydrogen 3.079 N/A ASN 10.A N THR 38.A O no hydrogen 2.727 N/A THR 13.A OG1 ASN 40.A O no hydrogen 3.522 N/A GLN 15.A N THR 13.A OG1 no hydrogen 3.070 N/A VAL 16.A N SER 82.A O no hydrogen 3.027 N/A LEU 17.A N HIS 42.A O no hydrogen 2.759 N/A VAL 18.A N THR 84.A O no hydrogen 2.808 N/A PHE 19.A N ILE 44.A O no hydrogen 2.755 N/A LEU 20.A N PHE 86.A O no hydrogen 2.806 N/A HIS 21.A ND1 GLY 22.A O no hydrogen 2.806 N/A LEU 24.A N HIS 51.A NE2 no hydrogen 3.126 N/A SER 25.A OG ASP 26.A O no hydrogen 3.366 N/A SER 27.A N ASP 47.A OD1 no hydrogen 2.886 N/A SER 27.A OG ASP 47.A OD1 no hydrogen 2.721 N/A ARG 28.A N ASP 26.A OD2 no hydrogen 2.949 N/A ARG 28.A NE ASP 26.A OD1 no hydrogen 3.387 N/A ARG 28.A NE ASP 26.A OD2 no hydrogen 2.878 N/A ARG 28.A NH1 GLN 172.A OE1.A no hydrogen 2.613 N/A ARG 28.A NH2 ASP 26.A OD1 no hydrogen 2.729 N/A ARG 28.A NH2 SER 176.A OG no hydrogen 2.841 N/A THR 29.A N ASP 26.A O no hydrogen 3.072 N/A THR 29.A OG1 HIS 246.A NE2 no hydrogen 2.674 N/A TYR 30.A N SER 27.A O no hydrogen 2.990 N/A TYR 30.A OH LEU 20.A O no hydrogen 2.555 N/A HIS 31.A N ARG 28.A O no hydrogen 3.007 N/A HIS 33.A N TYR 30.A O no hydrogen 2.808 N/A HIS 33.A ND1 ASP 254.A OD1 no hydrogen 2.602 N/A HIS 33.A NE2 HIS 246.A O no hydrogen 2.790 N/A ILE 34.A N TYR 30.A O no hydrogen 3.175 N/A LYS 36.A N HIS 33.A O no hydrogen 2.894 N/A LYS 36.A NZ.A ASN 32.A O no hydrogen 2.739 N/A PHE 37.A N ILE 34.A O no hydrogen 2.948 N/A THR 38.A N ILE 34.A O no hydrogen 2.912 N/A THR 38.A OG1 ILE 34.A O no hydrogen 3.411 N/A THR 38.A OG1 GLU 35.A O no hydrogen 3.539 N/A ASN 40.A N PHE 37.A O no hydrogen 3.002 N/A TYR 41.A N PHE 37.A O no hydrogen 2.738 N/A HIS 42.A N GLN 15.A O no hydrogen 2.949 N/A VAL 43.A N TYR 7.A O no hydrogen 2.985 N/A ILE 44.A N LEU 17.A O no hydrogen 2.854 N/A THR 45.A N LYS 5.A O no hydrogen 2.935 N/A ILE 46.A N PHE 19.A O no hydrogen 3.159 N/A ASP 47.A N HIS 3.A O no hydrogen 2.752 N/A LEU 48.A N HIS 21.A NE2 no hydrogen 2.824 N/A GLY 50.A N ASP 54.A OD2 no hydrogen 2.801 N/A HIS 51.A N LEU 48.A O no hydrogen 2.874 N/A HIS 51.A ND1 PRO 49.A O no hydrogen 2.991 N/A GLY 52.A N GLN 177.A OE1 no hydrogen 2.905 N/A GLU 53.A N ASP 47.A OD2 no hydrogen 2.704 N/A ASP 54.A N HIS 51.A O no hydrogen 2.969 N/A SER 56.A N ASP 54.A OD1 no hydrogen 3.360 N/A SER 56.A N ASP 54.A OD2 no hydrogen 2.889 N/A SER 56.A OG ASP 54.A OD1 no hydrogen 2.744 N/A SER 56.A OG ASP 54.A OD2 no hydrogen 3.321 N/A SER 56.A OG TYR 66.A OH no hydrogen 3.058 N/A ASP 59.A N SER 57.A OG no hydrogen 2.874 N/A GLU 60.A N SER 57.A O no hydrogen 3.182 N/A TRP 62.A N ASP 188.A OD2 no hydrogen 2.743 N/A TRP 62.A NE1 SER 57.A O no hydrogen 2.876 N/A TYR 66.A N ASN 63.A OD1 no hydrogen 3.024 N/A TYR 66.A OH SER 56.A OG no hydrogen 3.058 N/A ILE 67.A N ASN 63.A O no hydrogen 3.029 N/A THR 68.A N PHE 64.A O no hydrogen 2.804 N/A THR 68.A OG1 PHE 64.A O no hydrogen 2.770 N/A THR 69.A N ASP 65.A O no hydrogen 2.952 N/A THR 69.A OG1 ASP 65.A O no hydrogen 3.245 N/A LEU 70.A N TYR 66.A O no hydrogen 2.958 N/A LEU 71.A N ILE 67.A O no hydrogen 2.862 N/A ASP 72.A N THR 68.A O no hydrogen 2.703 N/A ARG 73.A N THR 69.A O no hydrogen 3.036 N/A ILE 74.A N LEU 70.A O no hydrogen 3.357 N/A LEU 75.A N LEU 71.A O no hydrogen 2.814 N/A ASP 76.A N ASP 72.A O no hydrogen 2.831 N/A LYS 77.A N ILE 74.A O no hydrogen 3.241 N/A TYR 78.A N LEU 75.A O no hydrogen 2.794 N/A LYS 79.A N ASP 76.A O no hydrogen 3.410 N/A LYS 79.A NZ ASP 76.A O no hydrogen 3.462 N/A LYS 79.A NZ ASP 76.A OD1 no hydrogen 3.485 N/A LYS 79.A NZ ASP 76.A OD2 no hydrogen 3.167 N/A LYS 81.A N TYR 78.A O no hydrogen 2.888 N/A LYS 81.A NZ THR 13.A O no hydrogen 3.250 N/A LYS 81.A NZ ASN 14.A OD1 no hydrogen 3.370 N/A SER 82.A N ASN 14.A O no hydrogen 2.807 N/A SER 82.A OG.B ASN 14.A O no hydrogen 2.910 N/A SER 82.A OG.B GLN 15.A OE1.A no hydrogen 2.350 N/A THR 84.A N VAL 16.A O no hydrogen 2.809 N/A LEU 85.A N ASN 108.A O no hydrogen 2.999 N/A PHE 86.A N VAL 18.A O no hydrogen 2.737 N/A GLY 87.A N ILE 110.A O no hydrogen 2.853 N/A TYR 88.A N LEU 20.A O no hydrogen 3.185 N/A SER 89.A N GLU 112.A O no hydrogen 2.804 N/A SER 89.A OG HIS 243.A NE2 no hydrogen 2.767 N/A GLY 92.A N SER 89.A O no hydrogen 2.768 N/A ARG 93.A N SER 89.A O no hydrogen 3.094 N/A ARG 93.A N MET 90.A O no hydrogen 3.100 N/A ARG 93.A NH1 TYR 189.A O no hydrogen 2.894 N/A ARG 93.A NH2 TYR 189.A O no hydrogen 3.078 N/A VAL 94.A N MET 90.A O no hydrogen 3.226 N/A ALA 95.A N GLY 91.A O no hydrogen 2.855 N/A LEU 96.A N GLY 92.A O no hydrogen 2.822 N/A TYR 97.A N ARG 93.A O no hydrogen 3.027 N/A TYR 97.A OH ASP 65.A OD1.B no hydrogen 2.400 N/A TYR 98.A N VAL 94.A O no hydrogen 2.802 N/A TYR 98.A OH ASP 72.A OD1 no hydrogen 2.663 N/A ALA 99.A N ALA 95.A O no hydrogen 2.800 N/A ILE 100.A N LEU 96.A O no hydrogen 3.134 N/A ILE 100.A N TYR 97.A O no hydrogen 3.257 N/A ASN 101.A N TYR 97.A O no hydrogen 2.758 N/A ASN 101.A ND2 TYR 97.A O no hydrogen 3.331 N/A GLY 102.A N TYR 98.A O no hydrogen 2.677 N/A HIS 103.A N ASP 72.A OD1 no hydrogen 2.852 N/A HIS 103.A ND1 ASP 72.A OD2 no hydrogen 2.644 N/A ILE 104.A N TYR 98.A OH no hydrogen 3.122 N/A SER 107.A N ILE 83.A O no hydrogen 2.632 N/A ASN 108.A N ILE 83.A O no hydrogen 3.179 N/A ASN 108.A ND2 THR 84.A OG1 no hydrogen 3.208 N/A LEU 109.A N PRO 207.A O no hydrogen 2.888 N/A ILE 110.A N LEU 85.A O no hydrogen 2.782 N/A LEU 111.A N LEU 209.A O no hydrogen 2.933 N/A GLU 112.A N GLY 87.A O no hydrogen 2.928 N/A SER 113.A N LEU 211.A O no hydrogen 2.834 N/A SER 113.A OG HIS 243.A O no hydrogen 2.542 N/A THR 114.A OG1 SER 89.A O no hydrogen 2.697 N/A GLY 117.A N SER 115.A OG no hydrogen 3.218 N/A ALA 122.A N GLU 120.A OE1.B no hydrogen 2.941 N/A GLN 124.A N GLU 120.A O no hydrogen 2.987 N/A GLN 124.A NE2 ILE 118.A O no hydrogen 2.777 N/A LEU 125.A N GLU 121.A O no hydrogen 2.929 N/A GLU 126.A N ALA 122.A O no hydrogen 2.965 N/A ARG 127.A N ASN 123.A O no hydrogen 3.129 N/A ARG 127.A NE ASP 131.A OD1 no hydrogen 3.407 N/A ARG 127.A NE ASP 131.A OD2 no hydrogen 2.802 N/A ARG 128.A N GLN 124.A O no hydrogen 2.929 N/A ARG 128.A NH2 GLY 192.A O no hydrogen 2.973 N/A LEU 129.A N LEU 125.A O no hydrogen 2.936 N/A VAL 130.A N GLU 126.A O no hydrogen 3.178 N/A ASP 131.A N ARG 127.A O no hydrogen 2.868 N/A ASP 132.A N ARG 128.A O no hydrogen 2.708 N/A ALA 133.A N LEU 129.A O no hydrogen 2.827 N/A ARG 134.A N VAL 130.A O no hydrogen 2.828 N/A ARG 134.A NH1 ASP 131.A OD1 no hydrogen 3.011 N/A ALA 135.A N ASP 131.A O no hydrogen 2.835 N/A LYS 136.A N ASP 132.A O no hydrogen 2.942 N/A VAL 137.A N ALA 133.A O no hydrogen 2.916 N/A LEU 138.A N ARG 134.A O no hydrogen 2.947 N/A ASP 139.A N ALA 135.A O no hydrogen 2.979 N/A ILE 140.A N LYS 136.A O no hydrogen 3.156 N/A ALA 141.A N VAL 137.A O no hydrogen 2.718 N/A GLY 142.A N LEU 138.A O no hydrogen 3.175 N/A VAL 147.A N ILE 143.A O no hydrogen 2.916 N/A ASN 148.A N GLU 144.A O no hydrogen 2.943 N/A ASP 149.A N LEU 145.A O no hydrogen 3.189 N/A TRP 150.A N PHE 146.A O no hydrogen 2.746 N/A GLU 151.A N VAL 147.A O no hydrogen 2.811 N/A LYS 152.A N ASP 149.A O no hydrogen 3.015 N/A LEU 153.A N TRP 150.A O no hydrogen 3.144 N/A PHE 156.A N LEU 153.A O no hydrogen 2.896 N/A GLN 157.A N PRO 154.A O no hydrogen 3.047 N/A SER 158.A OG GLU 248.A OE1 no hydrogen 3.250 N/A SER 158.A OG GLU 248.A OE2 no hydrogen 2.480 N/A GLN 159.A N PHE 156.A O no hydrogen 2.860 N/A LEU 160.A N GLN 157.A O no hydrogen 3.049 N/A GLU 161.A N SER 158.A O no hydrogen 3.311 N/A LEU 162.A N GLN 159.A O no hydrogen 2.847 N/A GLN 167.A N PRO 163.A O no hydrogen 3.130 N/A GLN 167.A NE2 LEU 160.A O no hydrogen 3.353 N/A GLN 167.A NE2 LEU 162.A O no hydrogen 2.744 N/A HIS 168.A N VAL 164.A O no hydrogen 2.867 N/A GLN 169.A N GLU 165.A O no hydrogen 2.925 N/A ILE 170.A N ILE 166.A O no hydrogen 2.992 N/A ARG 171.A N GLN 167.A O no hydrogen 2.905 N/A ARG 171.A NH1 ASN 148.A OD1 no hydrogen 2.856 N/A ARG 171.A NH2 ASN 148.A OD1 no hydrogen 2.766 N/A ARG 171.A NH2 GLU 151.A OE2 no hydrogen 2.666 N/A GLN 172.A N HIS 168.A O no hydrogen 2.819 N/A GLN 172.A NE2.A GLN 169.A O no hydrogen 3.348 N/A GLN 173.A N GLN 169.A O no hydrogen 2.973 N/A ARG 174.A N ILE 170.A O no hydrogen 3.014 N/A ARG 174.A NH2 GLN 159.A OE1 no hydrogen 3.520 N/A LEU 175.A N ARG 171.A O no hydrogen 2.900 N/A SER 176.A N GLN 172.A O no hydrogen 2.988 N/A SER 176.A OG GLN 172.A O no hydrogen 3.463 N/A SER 176.A OG GLN 173.A O no hydrogen 2.951 N/A GLN 177.A N ARG 174.A O no hydrogen 3.054 N/A GLN 177.A NE2 ASP 26.A OD1 no hydrogen 2.841 N/A GLN 177.A NE2 GLN 173.A O no hydrogen 2.873 N/A MET 182.A N SER 178.A O no hydrogen 2.829 N/A ALA 183.A N PRO 179.A O no hydrogen 2.879 N/A LYS 184.A N HIS 180.A O no hydrogen 3.078 N/A LYS 184.A NZ MET 58.A O no hydrogen 3.491 N/A LYS 184.A NZ GLU 60.A O no hydrogen 2.705 N/A LYS 184.A NZ ASP 188.A OD2 no hydrogen 2.719 N/A ALA 185.A N LYS 181.A O no hydrogen 2.848 N/A LEU 186.A N MET 182.A O no hydrogen 3.006 N/A ARG 187.A N ALA 183.A O no hydrogen 2.954 N/A ARG 187.A NH2 ASP 139.A OD2 no hydrogen 3.154 N/A ASP 188.A N LYS 184.A O no hydrogen 2.860 N/A TYR 189.A N ALA 185.A O no hydrogen 2.838 N/A TYR 189.A OH PRO 49.A O no hydrogen 2.727 N/A GLY 190.A N LEU 186.A O no hydrogen 3.009 N/A GLN 193.A N GLY 190.A O no hydrogen 2.809 N/A MET 194.A N GLY 190.A O no hydrogen 3.188 N/A MET 194.A N THR 191.A O no hydrogen 3.208 N/A LEU 197.A N PRO 116.A O no hydrogen 2.864 N/A TRP 198.A N ASN 196.A OD1 no hydrogen 3.048 N/A TRP 198.A NE1 GLY 117.A O no hydrogen 2.740 N/A ARG 200.A N LEU 197.A O no hydrogen 3.005 N/A ARG 200.A NH2 GLU 203.A OE1 no hydrogen 2.794 N/A LEU 201.A N TRP 198.A O no hydrogen 3.391 N/A LYS 202.A NZ PRO 199.A O no hydrogen 3.333 N/A GLU 203.A N ARG 200.A O no hydrogen 2.983 N/A ILE 204.A N LEU 201.A O no hydrogen 3.084 N/A LYS 205.A NZ LYS 202.A O no hydrogen 2.609 N/A THR 208.A N ASN 232.A O no hydrogen 2.791 N/A THR 208.A OG1 VAL 206.A O no hydrogen 3.061 N/A LEU 209.A N LEU 109.A O no hydrogen 2.838 N/A ILE 210.A N LYS 234.A O no hydrogen 2.684 N/A LEU 211.A N LEU 111.A O no hydrogen 2.746 N/A ALA 212.A N LYS 236.A O no hydrogen 3.262 N/A GLU 214.A N ILE 238.A O no hydrogen 3.013 N/A TYR 215.A N THR 241.A O no hydrogen 2.913 N/A ASP 216.A N GLY 213.A O no hydrogen 2.779 N/A LYS 218.A N GLU 217.A OE2.A no hydrogen 3.019 N/A VAL 220.A N ASP 216.A O no hydrogen 2.875 N/A GLN 221.A N GLU 217.A O no hydrogen 2.937 N/A ILE 222.A N LYS 218.A O no hydrogen 3.093 N/A ALA 223.A N PHE 219.A O no hydrogen 2.716 N/A LYS 224.A N VAL 220.A O no hydrogen 2.978 N/A LYS 225.A N GLN 221.A O no hydrogen 3.184 N/A MET 226.A N ILE 222.A O no hydrogen 2.863 N/A ALA 227.A N ALA 223.A O no hydrogen 2.925 N/A ASN 228.A N LYS 224.A O no hydrogen 3.151 N/A LEU 229.A N MET 226.A O no hydrogen 2.944 N/A ILE 230.A N MET 226.A O no hydrogen 2.942 N/A ASN 232.A ND2.A LYS 205.A O no hydrogen 2.747 N/A SER 233.A OG ALA 227.A O no hydrogen 2.685 N/A SER 233.A OG ILE 230.A O no hydrogen 2.867 N/A LYS 234.A N THR 208.A O no hydrogen 2.736 N/A LYS 236.A N ILE 210.A O no hydrogen 2.702 N/A ILE 238.A N ALA 212.A O no hydrogen 2.933 N/A ALA 240.A N GLU 214.A OE2 no hydrogen 3.098 N/A THR 241.A OG1 ILE 238.A O no hydrogen 2.920 N/A GLY 242.A N GLU 248.A OE1 no hydrogen 2.763 N/A HIS 243.A ND1 ASP 216.A OD2 no hydrogen 2.637 N/A HIS 243.A NE2 SER 89.A OG no hydrogen 2.767 N/A THR 244.A OG1 TYR 88.A OH no hydrogen 2.591 N/A HIS 246.A N GLU 112.A OE2 no hydrogen 2.855 N/A HIS 246.A ND1 GLU 112.A OE1 no hydrogen 2.587 N/A HIS 246.A NE2 THR 29.A OG1 no hydrogen 2.674 N/A VAL 247.A N THR 244.A O no hydrogen 3.085 N/A GLU 248.A N THR 244.A O no hydrogen 3.161 N/A GLU 248.A N ILE 245.A O no hydrogen 2.985 N/A ASP 249.A N ILE 245.A O no hydrogen 2.961 N/A SER 250.A OG.A ASN 32.A OD1 no hydrogen 3.457 N/A SER 250.A OG.A HIS 246.A O no hydrogen 2.699 N/A GLU 252.A N ASP 249.A OD1 no hydrogen 3.353 N/A PHE 253.A N ASP 249.A O no hydrogen 2.970 N/A ASP 254.A N SER 250.A O no hydrogen 2.802 N/A THR 255.A N ASP 251.A O no hydrogen 2.764 N/A THR 255.A OG1 ASP 251.A O no hydrogen 2.802 N/A MET 256.A N GLU 252.A O no hydrogen 2.829 N/A ILE 257.A N PHE 253.A O no hydrogen 3.145 N/A LEU 258.A N ASP 254.A O no hydrogen 2.951 N/A GLY 259.A N THR 255.A O no hydrogen 3.005 N/A PHE 260.A N MET 256.A O no hydrogen 3.127 N/A LEU 261.A N ILE 257.A O no hydrogen 2.783 N/A LYS 262.A N LEU 258.A O no hydrogen 2.684 N/A GLU 263.A N GLY 259.A O no hydrogen 2.941 N/A GLU 264.A N PHE 260.A O no hydrogen 2.957 N/A GLN 265.A N LYS 262.A O no hydrogen 3.297 N/A