Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 2x9n_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ALA 4.A N ASP 87.A OD2 no hydrogen 2.862 N/A ALA 5.A N ARG 28.A O no hydrogen 2.805 N/A VAL 6.A N VAL 88.A O no hydrogen 2.869 N/A VAL 7.A N VAL 30.A O no hydrogen 3.009 N/A THR 8.A N VAL 90.A O no hydrogen 3.036 N/A THR 8.A OG1 VAL 90.A O no hydrogen 3.428 N/A GLY 9.A N HIS 32.A ND1 no hydrogen 2.865 N/A ALA 10.A N HIS 32.A O no hydrogen 2.900 N/A LYS 12.A NZ SER 36.A OG no hydrogen 3.377 N/A ARG 13.A NH1 LEU 189.A O no hydrogen 3.042 N/A ARG 13.A NH2 LEU 188.A O no hydrogen 2.856 N/A ARG 16.A N LYS 12.A O no hydrogen 3.096 N/A ARG 16.A NH2 GLU 46.A OE1 no hydrogen 2.866 N/A ALA 17.A N ARG 13.A O no hydrogen 3.188 N/A ILE 18.A N ILE 14.A O no hydrogen 2.925 N/A ALA 19.A N GLY 15.A O no hydrogen 2.900 N/A VAL 20.A N ARG 16.A O no hydrogen 2.924 N/A LYS 21.A N ALA 17.A O no hydrogen 2.930 N/A LEU 22.A N ILE 18.A O no hydrogen 2.880 N/A HIS 23.A N ALA 19.A O no hydrogen 2.920 N/A HIS 23.A NE2 THR 54.A OG1 no hydrogen 2.643 N/A GLN 24.A N VAL 20.A O no hydrogen 2.840 N/A THR 25.A N LYS 21.A O no hydrogen 2.997 N/A THR 25.A N LEU 22.A O no hydrogen 3.084 N/A THR 25.A OG1 LYS 21.A O no hydrogen 2.807 N/A GLY 26.A N HIS 23.A O no hydrogen 2.995 N/A TYR 27.A N LEU 22.A O no hydrogen 3.002 N/A ARG 28.A N PRO 3.A O no hydrogen 2.871 N/A ARG 28.A NE ALA 2.A O no hydrogen 3.262 N/A ARG 28.A NH2 GLU 1.A OE1 no hydrogen 2.781 N/A ARG 28.A NH2 ALA 2.A O no hydrogen 2.766 N/A VAL 29.A N THR 54.A O no hydrogen 2.900 N/A VAL 30.A N ALA 5.A O no hydrogen 2.850 N/A ILE 31.A N VAL 56.A O no hydrogen 2.827 N/A HIS 32.A N VAL 7.A O no hydrogen 3.103 N/A HIS 32.A NE2 ALA 60.A O no hydrogen 2.809 N/A TYR 33.A N CYS 58.A O no hydrogen 3.070 N/A ALA 37.A N ASN 35.A O no hydrogen 3.021 N/A ALA 40.A N SER 36.A O no hydrogen 2.959 N/A VAL 41.A N ALA 37.A O no hydrogen 2.902 N/A SER 42.A N GLU 38.A O no hydrogen 2.907 N/A SER 42.A OG.B GLU 38.A O no hydrogen 3.356 N/A SER 42.A OG.B ALA 39.A O no hydrogen 3.002 N/A LEU 43.A N ALA 39.A O no hydrogen 2.981 N/A ALA 44.A N ALA 40.A O no hydrogen 2.938 N/A ASP 45.A N VAL 41.A O no hydrogen 2.809 N/A GLU 46.A N SER 42.A O no hydrogen 3.012 N/A LEU 47.A N LEU 43.A O no hydrogen 2.899 N/A ASN 48.A N ALA 44.A O no hydrogen 2.843 N/A ASN 48.A ND2 ALA 55.A O no hydrogen 2.996 N/A LYS 49.A N ASP 45.A O no hydrogen 2.930 N/A GLU 50.A N GLU 46.A O no hydrogen 3.147 N/A ARG 51.A N LEU 47.A O no hydrogen 2.969 N/A SER 52.A OG ASN 48.A O no hydrogen 3.533 N/A THR 54.A N ASN 48.A OD1 no hydrogen 2.889 N/A THR 54.A OG1 HIS 23.A NE2 no hydrogen 2.643 N/A THR 54.A OG1 ARG 51.A O no hydrogen 2.645 N/A ALA 55.A N ASN 48.A OD1 no hydrogen 2.949 N/A VAL 56.A N VAL 29.A O no hydrogen 3.030 N/A CYS 58.A N ILE 31.A O no hydrogen 2.989 N/A CYS 58.A SG SER 78.A OG no hydrogen 3.748 N/A GLN 59.A NE2 HIS 34.A O no hydrogen 3.023 N/A ALA 60.A N TYR 33.A O no hydrogen 2.926 N/A THR 63.A N ASP 61.A OD1 no hydrogen 3.043 N/A THR 63.A OG1.A ASP 61.A OD1 no hydrogen 2.663 N/A THR 63.A OG1.B ASP 61.A OD1 no hydrogen 3.435 N/A THR 63.A OG1.B ASP 61.A OD2 no hydrogen 3.501 N/A ASN 64.A N ALA 110.A O no hydrogen 2.901 N/A VAL 67.A N SER 65.A OG no hydrogen 2.894 N/A LEU 68.A N SER 65.A O no hydrogen 3.145 N/A SER 71.A N VAL 67.A O no hydrogen 2.964 N/A SER 71.A OG VAL 67.A O no hydrogen 3.279 N/A CYS 72.A N LEU 68.A O no hydrogen 2.920 N/A CYS 72.A SG LEU 68.A O no hydrogen 3.461 N/A CYS 72.A SG ALA 119.A O no hydrogen 3.930 N/A GLU 73.A N PRO 69.A O no hydrogen 2.987 N/A GLU 74.A N ALA 70.A O no hydrogen 2.926 N/A ILE 75.A N SER 71.A O no hydrogen 3.077 N/A ILE 76.A N CYS 72.A O no hydrogen 3.228 N/A ASN 77.A N GLU 73.A O no hydrogen 2.878 N/A SER 78.A N GLU 74.A O no hydrogen 2.838 N/A SER 78.A OG ILE 75.A O no hydrogen 2.688 N/A CYS 79.A N ILE 75.A O no hydrogen 3.455 N/A CYS 79.A SG ARG 85.A O no hydrogen 3.348 N/A PHE 80.A N ILE 76.A O no hydrogen 3.325 N/A ARG 81.A N ASN 77.A O no hydrogen 2.828 N/A ARG 81.A NH1 GLU 74.A OE1 no hydrogen 3.288 N/A ARG 81.A NH1 GLU 74.A OE2 no hydrogen 2.558 N/A ARG 81.A NH2 GLU 74.A OE1 no hydrogen 2.749 N/A ALA 82.A N SER 78.A O no hydrogen 2.966 N/A PHE 83.A N CYS 79.A O no hydrogen 2.883 N/A GLY 84.A N PHE 80.A O no hydrogen 2.851 N/A ARG 85.A NE ASP 87.A OD2 no hydrogen 2.849 N/A ARG 85.A NH2 ASP 87.A OD1 no hydrogen 2.900 N/A ARG 85.A NH2 ASP 87.A OD2 no hydrogen 3.539 N/A CYS 86.A SG VAL 88.A O no hydrogen 3.977 N/A ASP 87.A N ALA 4.A O no hydrogen 2.796 N/A VAL 88.A N ALA 4.A O no hydrogen 3.159 N/A LEU 89.A N SER 135.A O no hydrogen 3.100 N/A VAL 90.A N VAL 6.A O no hydrogen 2.824 N/A ASN 91.A N VAL 137.A O no hydrogen 2.875 N/A ASN 91.A ND2 ASN 138.A OD1 no hydrogen 2.769 N/A ASN 92.A N THR 8.A OG1 no hydrogen 2.937 N/A ASN 92.A ND2 THR 8.A O no hydrogen 3.084 N/A ALA 93.A N THR 8.A OG1 no hydrogen 2.928 N/A SER 94.A OG ALA 95.A O no hydrogen 3.312 N/A SER 94.A OG ASN 116.A OD1 no hydrogen 2.660 N/A ALA 95.A N THR 115.A OG1 no hydrogen 2.945 N/A TYR 97.A OH GLU 111.A OE1 no hydrogen 2.667 N/A THR 99.A N ALA 150.A O no hydrogen 2.761 N/A THR 99.A OG1 THR 99.A O no hydrogen 2.716 N/A LYS 103.A NZ GLU 111.A OE1 no hydrogen 2.709 N/A THR 104.A OG1 THR 107.A OG1 no hydrogen 3.004 N/A GLU 106.A N GLU 106.A OE1 no hydrogen 2.800 N/A THR 107.A N THR 104.A OG1 no hydrogen 3.201 N/A THR 107.A OG1 THR 104.A OG1 no hydrogen 3.004 N/A GLN 108.A N THR 104.A O no hydrogen 3.003 N/A VAL 109.A N VAL 105.A O no hydrogen 2.844 N/A ALA 110.A N GLU 106.A O no hydrogen 2.975 N/A GLU 111.A N THR 107.A O no hydrogen 2.938 N/A LEU 112.A N GLN 108.A O no hydrogen 2.852 N/A ILE 113.A N VAL 109.A O no hydrogen 2.876 N/A GLY 114.A N ALA 110.A O no hydrogen 2.925 N/A THR 115.A N GLU 111.A O no hydrogen 2.980 N/A THR 115.A OG1 GLU 111.A O no hydrogen 2.774 N/A ASN 116.A N LEU 112.A O no hydrogen 3.300 N/A ASN 116.A ND2 ALA 95.A O no hydrogen 3.045 N/A ASN 116.A ND2 LEU 112.A O no hydrogen 2.891 N/A ALA 117.A N ILE 113.A O no hydrogen 3.007 N/A ILE 118.A N ILE 113.A O no hydrogen 2.973 N/A ALA 119.A N GLY 114.A O no hydrogen 2.780 N/A PHE 121.A N ALA 117.A O no hydrogen 2.997 N/A LEU 122.A N ILE 118.A O no hydrogen 2.903 N/A LEU 123.A N ALA 119.A O no hydrogen 2.797 N/A THR 124.A N PRO 120.A O no hydrogen 2.849 N/A THR 124.A OG1 PRO 120.A O no hydrogen 2.689 N/A MET 125.A N PHE 121.A O no hydrogen 2.921 N/A SER 126.A N LEU 122.A O no hydrogen 2.926 N/A SER 126.A OG LEU 122.A O no hydrogen 3.332 N/A PHE 127.A N LEU 123.A O no hydrogen 2.817 N/A ALA 128.A N THR 124.A O no hydrogen 2.910 N/A GLN 129.A N MET 125.A O no hydrogen 2.881 N/A ARG 130.A N SER 126.A O no hydrogen 3.113 N/A ARG 130.A NH1 ASN 77.A OD1 no hydrogen 2.694 N/A GLN 131.A N ALA 128.A O no hydrogen 2.808 N/A GLN 131.A NE2 CYS 86.A O no hydrogen 2.862 N/A GLN 131.A NE2 PHE 127.A O no hydrogen 3.168 N/A SER 135.A N ASP 87.A O no hydrogen 3.005 N/A ILE 136.A N ARG 178.A O no hydrogen 2.836 N/A VAL 137.A N LEU 89.A O no hydrogen 2.840 N/A ASN 138.A N ASN 180.A O no hydrogen 2.823 N/A ASN 138.A ND2 THR 165.A OG1 no hydrogen 2.935 N/A LEU 139.A N ASN 91.A O no hydrogen 2.950 N/A CYS 140.A N VAL 182.A O no hydrogen 2.796 N/A CYS 140.A SG ASN 138.A O no hydrogen 3.603 N/A ALA 142.A N PRO 184.A O no hydrogen 2.812 N/A MET 143.A N ASP 141.A OD1 no hydrogen 2.871 N/A VAL 144.A N ASP 141.A O no hydrogen 3.303 N/A GLN 146.A N MET 143.A O no hydrogen 2.961 N/A GLN 146.A NE2 SER 244.A O no hydrogen 2.933 N/A PHE 151.A N CYS 148.A O no hydrogen 3.265 N/A LEU 153.A N THR 99.A OG1 no hydrogen 3.287 N/A TYR 154.A OH ASP 141.A OD2 no hydrogen 2.619 N/A ASN 155.A N PHE 151.A O no hydrogen 2.916 N/A ASN 155.A ND2 VAL 144.A O no hydrogen 3.623 N/A MET 156.A N SER 152.A O no hydrogen 2.799 N/A GLY 157.A N LEU 153.A O no hydrogen 2.916 N/A LYS 158.A N TYR 154.A O no hydrogen 2.943 N/A LYS 158.A NZ ASN 116.A OD1 no hydrogen 2.956 N/A LYS 158.A NZ LEU 139.A O no hydrogen 2.803 N/A HIS 159.A N ASN 155.A O no hydrogen 2.874 N/A HIS 159.A NE2 VAL 144.A O no hydrogen 2.954 N/A ALA 160.A N MET 156.A O no hydrogen 2.898 N/A LEU 161.A N GLY 157.A O no hydrogen 2.963 N/A VAL 162.A N LYS 158.A O no hydrogen 3.108 N/A GLY 163.A N HIS 159.A O no hydrogen 3.073 N/A LEU 164.A N ALA 160.A O no hydrogen 2.827 N/A THR 165.A N LEU 161.A O no hydrogen 2.909 N/A THR 165.A OG1 LEU 161.A O no hydrogen 2.807 N/A GLN 166.A N VAL 162.A O no hydrogen 3.028 N/A SER 167.A N GLY 163.A O no hydrogen 2.857 N/A SER 167.A OG GLY 163.A O no hydrogen 3.232 N/A ALA 168.A N LEU 164.A O no hydrogen 2.776 N/A ALA 169.A N THR 165.A O no hydrogen 2.957 N/A LEU 170.A N GLN 166.A O no hydrogen 3.085 N/A GLU 171.A N SER 167.A O no hydrogen 3.023 N/A LEU 172.A N ALA 168.A O no hydrogen 2.801 N/A ALA 173.A N ALA 169.A O no hydrogen 3.145 N/A TYR 175.A N LEU 172.A O no hydrogen 2.923 N/A GLY 176.A N ALA 173.A O no hydrogen 2.893 N/A ILE 177.A N LEU 172.A O no hydrogen 3.323 N/A ARG 178.A N LEU 134.A O no hydrogen 3.124 N/A ARG 178.A NH1 LEU 224.A O no hydrogen 2.864 N/A ARG 178.A NH1 ILE 232.A O no hydrogen 3.160 N/A ARG 178.A NH2 ASN 133.A OD1 no hydrogen 3.008 N/A ARG 178.A NH2 LEU 224.A O no hydrogen 2.882 N/A VAL 179.A N THR 233.A OG1 no hydrogen 2.946 N/A ASN 180.A N ILE 136.A O no hydrogen 2.974 N/A ASN 180.A ND2 ILE 232.A O no hydrogen 2.990 N/A GLY 181.A N SER 235.A O no hydrogen 2.831 N/A VAL 182.A N ASN 138.A O no hydrogen 2.994 N/A ALA 183.A N ILE 237.A O no hydrogen 2.852 N/A SER 187.A OG ALA 212.A O no hydrogen 2.850 N/A MET 193.A N PRO 190.A O no hydrogen 2.979 N/A GLU 196.A N GLU 196.A OE1 no hydrogen 2.956 N/A LYS 198.A N GLY 194.A O no hydrogen 2.872 N/A LYS 198.A NZ VAL 191.A O no hydrogen 3.086 N/A LYS 198.A NZ MET 193.A O no hydrogen 2.663 N/A LYS 198.A NZ GLU 195.A OE2 no hydrogen 2.886 N/A ASP 199.A N GLU 195.A O no hydrogen 2.828 N/A LYS 200.A N GLU 196.A O no hydrogen 3.324 N/A LYS 200.A N GLU 197.A O no hydrogen 3.033 N/A TRP 201.A N GLU 197.A O no hydrogen 3.402 N/A ARG 202.A N LYS 198.A O no hydrogen 2.905 N/A ARG 202.A NE GLU 211.A OE1 no hydrogen 2.813 N/A ARG 202.A NH1 GLU 195.A OE1 no hydrogen 2.792 N/A ARG 202.A NH1 ASP 199.A OD1 no hydrogen 3.066 N/A ARG 202.A NH2 GLU 211.A OE2 no hydrogen 2.911 N/A ARG 203.A N ASP 199.A O no hydrogen 2.906 N/A LYS 204.A N TRP 201.A O no hydrogen 3.085 N/A VAL 205.A N ARG 202.A O no hydrogen 3.088 N/A LEU 207.A N GLY 241.A O no hydrogen 2.989 N/A GLY 208.A N PRO 206.A O no hydrogen 3.093 N/A ARG 209.A N VAL 205.A O no hydrogen 3.105 N/A ARG 209.A NH1 ARG 203.A O no hydrogen 2.724 N/A ARG 210.A NE GLY 208.A O no hydrogen 2.972 N/A ARG 210.A NH2 GLY 208.A O no hydrogen 3.308 N/A GLU 211.A N GLU 211.A OE1 no hydrogen 2.730 N/A ALA 212.A N VAL 186.A O no hydrogen 2.924 N/A SER 213.A N GLN 216.A OE1 no hydrogen 2.986 N/A GLU 215.A N GLU 215.A OE1 no hydrogen 2.795 N/A GLN 216.A N SER 213.A OG no hydrogen 2.948 N/A ILE 217.A N SER 213.A O no hydrogen 3.312 N/A ALA 218.A N ALA 214.A O no hydrogen 2.877 N/A ASP 219.A N GLU 215.A O no hydrogen 2.832 N/A ALA 220.A N ILE 217.A O no hydrogen 3.069 N/A VAL 221.A N ILE 217.A O no hydrogen 3.347 N/A ILE 222.A N ALA 218.A O no hydrogen 2.901 N/A PHE 223.A N ASP 219.A O no hydrogen 3.034 N/A LEU 224.A N ALA 220.A O no hydrogen 3.058 N/A VAL 225.A N VAL 221.A O no hydrogen 3.066 N/A SER 226.A N PHE 223.A O no hydrogen 2.997 N/A SER 226.A OG PHE 223.A O no hydrogen 2.686 N/A SER 228.A N SER 226.A OG no hydrogen 3.035 N/A ALA 229.A N SER 226.A O no hydrogen 3.182 N/A GLN 230.A NE2 GLY 227.A O no hydrogen 3.479 N/A ILE 232.A N ALA 229.A O no hydrogen 2.926 N/A THR 233.A OG1 VAL 179.A O no hydrogen 3.528 N/A GLY 234.A N VAL 179.A O no hydrogen 2.694 N/A SER 235.A N ASN 180.A OD1 no hydrogen 2.946 N/A ILE 237.A N GLY 181.A O no hydrogen 2.902 N/A LYS 238.A NZ SER 244.A OG no hydrogen 3.202 N/A VAL 239.A N ALA 183.A O no hydrogen 2.925 N/A GLY 242.A N ASP 240.A OD1 no hydrogen 2.941 N/A LEU 243.A N ASP 240.A O no hydrogen 3.016 N/A SER 244.A N ASP 240.A OD2 no hydrogen 2.937 N/A SER 244.A OG ASP 240.A OD2 no hydrogen 2.721 N/A LEU 245.A N GLY 242.A O no hydrogen 2.940 N/A VAL 246.A N LEU 243.A O no hydrogen 3.140 N/A HIS 247.A ND1 ALA 248.A O no hydrogen 2.660 N/A