Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 5duf_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): HIS 2.A ND1 GLU 33.A OE2 no hydrogen 2.800 N/A MET 3.A N GLU 33.A OE1 no hydrogen 2.755 N/A GLY 5.A N GLU 16.A O no hydrogen 2.857 N/A THR 7.A N THR 14.A O no hydrogen 3.027 N/A GLN 8.A NE2 GLU 10.A O no hydrogen 2.655 N/A ALA 9.A N VAL 12.A O no hydrogen 3.057 N/A VAL 12.A N ALA 9.A O no hydrogen 3.026 N/A LEU 13.A N ALA 48.A O no hydrogen 2.963 N/A THR 14.A N THR 7.A O no hydrogen 2.773 N/A ILE 15.A N VAL 50.A O no hydrogen 2.787 N/A GLU 16.A N GLY 5.A O no hydrogen 2.817 N/A LEU 17.A N THR 52.A O no hydrogen 2.839 N/A GLN 18.A N MET 3.A O no hydrogen 2.680 N/A GLN 18.A NE2 GLU 16.A OE1 no hydrogen 2.854 N/A ARG 19.A N ASN 24.A OD1 no hydrogen 2.889 N/A ARG 19.A NH1 ALA 25.A O no hydrogen 2.940 N/A ARG 19.A NH1 ASP 63.A O no hydrogen 2.981 N/A ARG 19.A NH2 ASP 63.A O no hydrogen 3.421 N/A GLU 21.A N GLU 21.A OE1 no hydrogen 2.722 N/A ARG 22.A N ARG 19.A O no hydrogen 2.931 N/A ARG 22.A NH1 GLU 21.A O no hydrogen 2.936 N/A ARG 23.A N PRO 20.A O no hydrogen 2.982 N/A ASN 24.A N ARG 19.A O no hydrogen 2.881 N/A ASN 24.A ND2 GLN 54.A O no hydrogen 2.906 N/A ASN 24.A ND2 ALA 57.A O no hydrogen 2.994 N/A ASN 24.A ND2 PHE 58.A O no hydrogen 3.604 N/A ALA 25.A N ARG 22.A O no hydrogen 3.001 N/A LEU 26.A N GLY 61.A O no hydrogen 2.834 N/A SER 28.A N ASP 67.A OD2 no hydrogen 2.922 N/A SER 28.A OG ASP 67.A OD1 no hydrogen 2.713 N/A SER 28.A OG ASP 67.A OD2 no hydrogen 3.022 N/A GLN 29.A NE2 GLU 33.A OE2 no hydrogen 2.995 N/A LEU 30.A N ASN 27.A OD1 no hydrogen 2.956 N/A VAL 31.A N ASN 27.A O no hydrogen 3.019 N/A GLU 32.A N SER 28.A O no hydrogen 2.930 N/A GLU 33.A N GLN 29.A O no hydrogen 2.945 N/A LEU 34.A N LEU 30.A O no hydrogen 2.948 N/A THR 35.A N VAL 31.A O no hydrogen 2.960 N/A THR 35.A OG1 VAL 31.A O no hydrogen 2.857 N/A GLN 36.A N GLU 32.A O no hydrogen 3.077 N/A ALA 37.A N GLU 33.A O no hydrogen 2.994 N/A ILE 38.A N LEU 34.A O no hydrogen 2.968 N/A ARG 39.A N THR 35.A O no hydrogen 3.000 N/A LYS 40.A N GLN 36.A O no hydrogen 2.960 N/A ALA 41.A N ILE 38.A O no hydrogen 3.210 N/A ASP 43.A N LYS 40.A O no hydrogen 2.981 N/A ARG 47.A N ALA 11.A O no hydrogen 2.803 N/A ALA 48.A N ALA 11.A O no hydrogen 3.330 N/A ILE 49.A N PRO 90.A O no hydrogen 3.009 N/A VAL 50.A N LEU 13.A O no hydrogen 2.840 N/A LEU 51.A N VAL 92.A O no hydrogen 2.932 N/A THR 52.A N ILE 15.A O no hydrogen 2.976 N/A THR 52.A OG1 ALA 94.A O no hydrogen 2.848 N/A THR 52.A OG1 ASN 96.A OD1 no hydrogen 3.488 N/A GLY 53.A N ASN 96.A OD1 no hydrogen 2.959 N/A GLN 54.A N LEU 17.A O no hydrogen 2.926 N/A PHE 58.A N PRO 98.A O no hydrogen 3.061 N/A CYS 59.A N PRO 98.A O no hydrogen 3.108 N/A CYS 59.A SG ASN 24.A O no hydrogen 3.374 N/A CYS 59.A SG GLY 61.A O no hydrogen 3.509 N/A ALA 60.A N ARG 23.A O no hydrogen 3.023 N/A ASP 63.A N LEU 26.A O no hydrogen 2.947 N/A SER 65.A N ASP 63.A OD2 no hydrogen 3.168 N/A SER 65.A OG ASP 63.A OD2 no hydrogen 2.803 N/A ASP 67.A N LEU 64.A O no hydrogen 2.753 N/A PHE 69.A N ASP 67.A OD1 no hydrogen 2.950 N/A ALA 70.A N ASP 67.A O no hydrogen 3.160 N/A ASP 72.A N PHE 69.A O no hydrogen 3.047 N/A TYR 73.A N ALA 70.A O no hydrogen 3.105 N/A ARG 76.A N ASP 72.A O no hydrogen 3.035 N/A LEU 77.A N TYR 73.A O no hydrogen 2.837 N/A ILE 78.A N PRO 74.A O no hydrogen 3.194 N/A GLU 79.A N ASP 75.A O no hydrogen 3.062 N/A LEU 80.A N ARG 76.A O no hydrogen 2.977 N/A HIS 81.A N LEU 77.A O no hydrogen 3.158 N/A HIS 81.A ND1 GLN 109.A OE1 no hydrogen 2.957 N/A LYS 82.A N ILE 78.A O no hydrogen 2.952 N/A ALA 83.A N GLU 79.A O no hydrogen 2.921 N/A MET 84.A N LEU 80.A O no hydrogen 2.982 N/A ASP 85.A N HIS 81.A O no hydrogen 2.920 N/A ALA 86.A N LYS 82.A O no hydrogen 2.941 N/A SER 87.A N MET 84.A O no hydrogen 3.202 N/A MET 89.A N SER 87.A OG no hydrogen 3.138 N/A VAL 91.A N ASP 111.A OD2 no hydrogen 2.791 N/A VAL 92.A N ILE 49.A O no hydrogen 2.728 N/A GLY 93.A N LEU 112.A O no hydrogen 2.810 N/A ALA 94.A N LEU 51.A O no hydrogen 2.808 N/A ILE 95.A N VAL 114.A O no hydrogen 2.850 N/A ASN 96.A ND2 GLY 55.A O no hydrogen 2.947 N/A ASN 96.A ND2 ALA 57.A O no hydrogen 3.010 N/A ALA 99.A N PHE 120.A O no hydrogen 2.954 N/A ILE 100.A N CYS 59.A O no hydrogen 2.971 N/A GLY 101.A N GLN 122.A O no hydrogen 2.957 N/A GLY 103.A N ILE 100.A O no hydrogen 2.906 N/A GLN 105.A N GLY 101.A O no hydrogen 3.041 N/A GLN 105.A NE2 SER 136.A OG no hydrogen 2.924 N/A LEU 106.A N ALA 102.A O no hydrogen 2.943 N/A ALA 107.A N GLY 103.A O no hydrogen 2.970 N/A MET 108.A N LEU 104.A O no hydrogen 2.933 N/A GLN 109.A N GLN 105.A O no hydrogen 3.102 N/A GLN 109.A N LEU 106.A O no hydrogen 3.174 N/A GLN 109.A NE2 GLN 109.A O no hydrogen 3.546 N/A CYS 110.A N ALA 107.A O no hydrogen 3.213 N/A CYS 110.A SG LEU 106.A O no hydrogen 3.663 N/A ASP 111.A N VAL 91.A O no hydrogen 2.760 N/A LEU 112.A N VAL 91.A O no hydrogen 3.265 N/A ARG 113.A N ASN 171.A OD1 no hydrogen 2.924 N/A ARG 113.A NE MET 169.A O no hydrogen 2.923 N/A ARG 113.A NH2 ALA 107.A O no hydrogen 2.813 N/A ARG 113.A NH2 CYS 110.A O no hydrogen 2.878 N/A VAL 114.A N GLY 93.A O no hydrogen 2.824 N/A VAL 115.A N ARG 172.A O no hydrogen 2.852 N/A ALA 116.A N ILE 95.A O no hydrogen 2.927 N/A ALA 119.A N ALA 116.A O no hydrogen 3.010 N/A PHE 121.A N LEU 159.A O no hydrogen 2.895 N/A GLN 122.A N ALA 99.A O no hydrogen 3.187 N/A GLN 122.A NE2 ALA 156.A O no hydrogen 2.909 N/A LYS 127.A N PRO 124.A O no hydrogen 2.932 N/A TYR 128.A N THR 125.A O no hydrogen 3.035 N/A LEU 130.A N THR 125.A O no hydrogen 3.187 N/A ASN 134.A ND2 GLU 208.A OE1 no hydrogen 2.951 N/A ASN 134.A ND2 HIS 214.A ND1 no hydrogen 3.107 N/A SER 136.A N ASP 133.A OD2 no hydrogen 3.091 N/A SER 136.A OG ASP 133.A OD1 no hydrogen 2.657 N/A SER 136.A OG ASP 133.A OD2 no hydrogen 3.464 N/A ARG 138.A N ASN 134.A O no hydrogen 2.860 N/A ARG 138.A NE GLU 208.A OE1 no hydrogen 3.025 N/A ARG 138.A NH2 GLU 208.A OE1 no hydrogen 2.933 N/A ARG 139.A N TRP 135.A O no hydrogen 2.754 N/A ARG 139.A NH1 SER 142.A OG no hydrogen 2.917 N/A ARG 139.A NH1 ASP 204.A OD2 no hydrogen 2.930 N/A ARG 139.A NH2 ASP 204.A OD1 no hydrogen 2.931 N/A LEU 140.A N SER 136.A O no hydrogen 3.083 N/A SER 141.A N ILE 137.A O no hydrogen 2.979 N/A SER 141.A OG ILE 137.A O no hydrogen 2.938 N/A SER 142.A N ARG 138.A O no hydrogen 3.018 N/A SER 142.A OG ARG 139.A O no hydrogen 2.758 N/A LEU 143.A N ARG 139.A O no hydrogen 3.081 N/A LEU 143.A N LEU 140.A O no hydrogen 3.026 N/A VAL 144.A N LEU 140.A O no hydrogen 2.925 N/A GLY 145.A N SER 141.A O no hydrogen 2.885 N/A ALA 149.A N GLY 145.A O no hydrogen 3.011 N/A ARG 150.A N HIS 146.A O no hydrogen 2.985 N/A ARG 150.A NH1 HIS 146.A NE2 no hydrogen 2.931 N/A ALA 151.A N GLY 147.A O no hydrogen 3.350 N/A MET 152.A N ARG 148.A O no hydrogen 2.859 N/A LEU 153.A N ALA 149.A O no hydrogen 2.908 N/A LEU 154.A N ARG 150.A O no hydrogen 2.853 N/A SER 155.A N ALA 151.A O no hydrogen 3.065 N/A SER 155.A OG ALA 151.A O no hydrogen 2.688 N/A GLU 157.A N ALA 151.A O no hydrogen 3.458 N/A LEU 159.A N PHE 121.A O no hydrogen 2.868 N/A ILE 163.A N THR 160.A OG1 no hydrogen 3.257 N/A ALA 164.A N THR 160.A O no hydrogen 2.849 N/A LEU 165.A N ALA 161.A O no hydrogen 2.930 N/A HIS 166.A N GLU 162.A O no hydrogen 3.176 N/A THR 167.A N ILE 163.A O no hydrogen 2.929 N/A THR 167.A OG1 LEU 143.A O no hydrogen 2.944 N/A THR 167.A OG1 ALA 164.A O no hydrogen 3.374 N/A GLY 168.A N ALA 164.A O no hydrogen 3.000 N/A MET 169.A N THR 167.A OG1 no hydrogen 3.270 N/A ALA 170.A N ALA 164.A O no hydrogen 3.002 N/A ASN 171.A N ARG 113.A O no hydrogen 2.835 N/A ARG 172.A N ARG 113.A O no hydrogen 3.335 N/A GLY 174.A N VAL 115.A O no hydrogen 2.919 N/A THR 175.A N ASP 178.A OD2 no hydrogen 2.884 N/A ASP 178.A N THR 175.A OG1 no hydrogen 3.279 N/A ALA 179.A N THR 175.A O no hydrogen 2.911 N/A GLN 180.A N LEU 176.A O no hydrogen 2.878 N/A GLN 180.A NE2 THR 14.A OG1 no hydrogen 3.006 N/A ALA 181.A N ALA 177.A O no hydrogen 2.960 N/A TRP 182.A N ASP 178.A O no hydrogen 3.086 N/A ALA 183.A N ALA 179.A O no hydrogen 2.905 N/A ALA 184.A N GLN 180.A O no hydrogen 3.004 N/A GLU 185.A N ALA 181.A O no hydrogen 3.257 N/A ILE 186.A N TRP 182.A O no hydrogen 2.938 N/A ALA 187.A N ALA 183.A O no hydrogen 2.817 N/A ARG 188.A N GLU 185.A O no hydrogen 3.081 N/A LEU 189.A N ILE 186.A O no hydrogen 2.969 N/A ILE 194.A N ALA 190.A O no hydrogen 3.265 N/A GLN 195.A N PRO 191.A O no hydrogen 2.908 N/A HIS 196.A N LEU 192.A O no hydrogen 3.071 N/A ALA 197.A N ALA 193.A O no hydrogen 3.112 N/A LYS 198.A N ILE 194.A O no hydrogen 2.920 N/A LYS 198.A NZ MET 84.A O no hydrogen 2.972 N/A LYS 198.A NZ SER 87.A O no hydrogen 3.070 N/A LYS 198.A NZ MET 89.A O no hydrogen 3.009 N/A LYS 198.A NZ ASP 111.A OD2 no hydrogen 2.910 N/A ARG 199.A N GLN 195.A O no hydrogen 3.133 N/A ARG 199.A NE ASP 203.A OD1 no hydrogen 3.448 N/A ARG 199.A NE ASP 203.A OD2 no hydrogen 3.009 N/A ARG 199.A NH1 ASP 85.A O no hydrogen 3.139 N/A ARG 199.A NH1 ASP 85.A OD2 no hydrogen 3.222 N/A ARG 199.A NH2 ASP 85.A OD1 no hydrogen 2.908 N/A ARG 199.A NH2 ASP 85.A OD2 no hydrogen 3.347 N/A ARG 199.A NH2 ASP 203.A OD1 no hydrogen 2.914 N/A VAL 200.A N HIS 196.A O no hydrogen 3.039 N/A LEU 201.A N ALA 197.A O no hydrogen 2.869 N/A ASN 202.A N LYS 198.A O no hydrogen 2.959 N/A ASN 202.A ND2 ASP 85.A OD1 no hydrogen 3.032 N/A ASP 203.A N ARG 199.A O no hydrogen 3.053 N/A ASP 203.A N VAL 200.A O no hydrogen 3.072 N/A ASP 204.A N LEU 201.A O no hydrogen 3.296 N/A ALA 206.A N ASP 204.A OD1 no hydrogen 3.051 N/A TRP 211.A N HIS 214.A ND1 no hydrogen 3.159 N/A LYS 215.A N TRP 211.A O no hydrogen 3.020 N/A LYS 215.A NZ ASP 219.A OD2 no hydrogen 2.969 N/A GLU 216.A N PRO 212.A O no hydrogen 3.075 N/A LEU 217.A N ALA 213.A O no hydrogen 3.124 N/A PHE 218.A N HIS 214.A O no hydrogen 2.839 N/A ASP 219.A N LYS 215.A O no hydrogen 2.893 N/A LYS 220.A N GLU 216.A O no hydrogen 3.001 N/A ALA 221.A N LEU 217.A O no hydrogen 2.991 N/A TRP 222.A N PHE 218.A O no hydrogen 2.997 N/A TRP 222.A NE1 ALA 131.A O no hydrogen 2.969 N/A GLY 223.A N ASP 219.A O no hydrogen 3.001 N/A SER 224.A N ALA 221.A O no hydrogen 3.132 N/A SER 224.A OG ALA 221.A O no hydrogen 2.659 N/A GLN 225.A N ALA 245.A OXT no hydrogen 2.902 N/A ASP 226.A N ALA 245.A O no hydrogen 2.888 N/A VAL 227.A N SER 224.A OG no hydrogen 3.406 N/A GLU 229.A N GLN 225.A O no hydrogen 2.852 N/A ALA 230.A N ASP 226.A O no hydrogen 2.961 N/A GLN 231.A N VAL 227.A O no hydrogen 3.421 N/A VAL 232.A N ILE 228.A O no hydrogen 2.901 N/A ALA 233.A N GLU 229.A O no hydrogen 2.862 N/A ARG 234.A N ALA 230.A O no hydrogen 3.180 N/A MET 235.A N GLN 231.A O no hydrogen 3.109 N/A GLU 236.A N VAL 232.A O no hydrogen 2.914 N/A LYS 237.A N ARG 234.A O no hydrogen 3.022 N/A ARG 238.A N ALA 233.A O no hydrogen 2.967 N/A ARG 238.A NE GLU 236.A OE1 no hydrogen 2.886 N/A ARG 238.A NH1 GLU 229.A OE2 no hydrogen 2.790 N/A ARG 238.A NH1 PRO 239.A O no hydrogen 3.254 N/A ARG 238.A NH2 GLU 229.A OE1 no hydrogen 3.203 N/A ARG 238.A NH2 GLU 229.A OE2 no hydrogen 3.540 N/A LYS 241.A N GLU 229.A OE2 no hydrogen 2.793 N/A GLN 243.A N ASP 226.A OD1 no hydrogen 2.846 N/A GLN 243.A NE2 LYS 241.A O no hydrogen 3.355 N/A GLY 244.A N ASP 226.A OD2 no hydrogen 2.801 N/A