Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4ni5_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ARG 2.A N GLU 28.A OE1 no hydrogen 3.114 N/A ARG 2.A NE GLU 28.A OE1 no hydrogen 2.915 N/A ARG 2.A NH1 GLU 207.A OE2 no hydrogen 2.415 N/A ARG 2.A NH2 GLU 28.A OE2 no hydrogen 2.943 N/A PHE 3.A N GLU 28.A O no hydrogen 3.092 N/A LYS 4.A NZ ASP 5.A OD1 no hydrogen 3.426 N/A ASP 5.A N GLY 29.A O no hydrogen 3.003 N/A LYS 6.A N PHE 3.A O no hydrogen 3.024 N/A VAL 7.A N ASP 68.A OD2 no hydrogen 2.791 N/A VAL 8.A N LYS 31.A O no hydrogen 2.941 N/A ILE 9.A N ILE 69.A O no hydrogen 2.965 N/A VAL 10.A N VAL 33.A O no hydrogen 2.973 N/A THR 11.A N PHE 71.A O no hydrogen 3.052 N/A THR 11.A OG1 PHE 71.A O no hydrogen 3.567 N/A GLY 13.A N ALA 35.A O no hydrogen 3.005 N/A ALA 14.A N ASP 36.A OD2 no hydrogen 2.920 N/A GLU 19.A N SER 15.A O no hydrogen 3.000 N/A ALA 20.A N GLY 16.A O no hydrogen 3.014 N/A THR 21.A N ILE 17.A O no hydrogen 2.873 N/A THR 21.A OG1 ILE 17.A O no hydrogen 2.806 N/A ALA 22.A N GLY 18.A O no hydrogen 2.897 N/A ARG 23.A N GLU 19.A O no hydrogen 2.958 N/A ALA 24.A N ALA 20.A O no hydrogen 2.950 N/A PHE 25.A N THR 21.A O no hydrogen 2.939 N/A ILE 26.A N ALA 22.A O no hydrogen 2.938 N/A ARG 27.A N ARG 23.A O no hydrogen 2.978 N/A GLU 28.A N ALA 24.A O no hydrogen 3.147 N/A GLU 28.A N PHE 25.A O no hydrogen 3.113 N/A GLY 29.A N ILE 26.A O no hydrogen 3.031 N/A ALA 30.A N PHE 25.A O no hydrogen 3.076 N/A LYS 31.A N LYS 6.A O no hydrogen 2.831 N/A VAL 33.A N VAL 8.A O no hydrogen 2.815 N/A ILE 34.A N LEU 41.A O no hydrogen 2.745 N/A ALA 35.A N VAL 10.A O no hydrogen 2.986 N/A PHE 37.A N ASP 36.A OD1 no hydrogen 2.770 N/A LEU 41.A N VAL 32.A O no hydrogen 3.046 N/A ILE 43.A N ILE 34.A O no hydrogen 2.821 N/A LYS 44.A NZ PHE 37.A O no hydrogen 2.462 N/A THR 45.A N ASP 36.A O no hydrogen 2.917 N/A THR 45.A OG1 ILE 43.A O no hydrogen 3.042 N/A ALA 48.A N ASP 46.A OD1 no hydrogen 3.097 N/A ASP 49.A N ASP 46.A O no hydrogen 3.049 N/A ALA 52.A N ASP 49.A OD1.B no hydrogen 3.403 N/A ALA 52.A N ASP 49.A OD2.A no hydrogen 2.844 N/A VAL 53.A N ASP 49.A O no hydrogen 3.053 N/A GLN 54.A N THR 50.A O no hydrogen 2.946 N/A GLN 54.A NE2 THR 50.A O no hydrogen 3.315 N/A GLN 54.A NE2 THR 50.A OG1 no hydrogen 2.937 N/A ALA 55.A N ARG 51.A O no hydrogen 2.971 N/A LEU 56.A N ALA 52.A O no hydrogen 2.857 N/A ILE 57.A N VAL 53.A O no hydrogen 3.068 N/A ALA 58.A N GLN 54.A O no hydrogen 2.878 N/A ARG 59.A N ALA 55.A O no hydrogen 2.942 N/A THR 60.A N LEU 56.A O no hydrogen 3.087 N/A THR 60.A OG1 LEU 56.A O no hydrogen 2.920 N/A VAL 61.A N ILE 57.A O no hydrogen 3.046 N/A GLU 62.A N ALA 58.A O no hydrogen 2.787 N/A ASN 63.A N ARG 59.A O no hydrogen 2.907 N/A ASN 63.A ND2 ARG 59.A O no hydrogen 3.159 N/A TYR 64.A N THR 60.A O no hydrogen 2.822 N/A GLY 65.A N VAL 61.A O no hydrogen 2.740 N/A ARG 66.A NE ASP 68.A OD1 no hydrogen 2.787 N/A ARG 66.A NH2 ASP 68.A OD1 no hydrogen 3.268 N/A LEU 67.A N GLN 115.A OE1 no hydrogen 3.077 N/A ASP 68.A N VAL 7.A O no hydrogen 2.823 N/A ILE 69.A N VAL 7.A O no hydrogen 3.112 N/A MET 70.A N VAL 119.A O no hydrogen 3.050 N/A PHE 71.A N ILE 9.A O no hydrogen 2.868 N/A ALA 72.A N VAL 121.A O no hydrogen 2.941 N/A ASN 73.A N THR 11.A OG1 no hydrogen 2.833 N/A ASN 73.A ND2 THR 11.A O no hydrogen 3.123 N/A ASN 73.A ND2 GLY 12.A O no hydrogen 3.430 N/A ALA 74.A N THR 11.A OG1 no hydrogen 2.924 N/A ILE 76.A N ASN 97.A OD1.A no hydrogen 2.954 N/A ALA 80.A N ASP 79.A OD1 no hydrogen 2.825 N/A GLU 84.A N PRO 81.A O no hydrogen 2.920 N/A LEU 85.A N ILE 82.A O no hydrogen 3.173 N/A GLU 87.A N GLU 87.A OE1 no hydrogen 2.730 N/A ALA 89.A N ASP 86.A OD1.B no hydrogen 2.985 N/A TRP 90.A N ASP 86.A O no hydrogen 2.998 N/A GLN 91.A N GLU 87.A O no hydrogen 2.849 N/A LYS 92.A N ALA 88.A O no hydrogen 2.955 N/A THR 93.A N ALA 89.A O no hydrogen 3.145 N/A THR 93.A OG1 ALA 89.A O no hydrogen 3.505 N/A ILE 94.A N TRP 90.A O no hydrogen 2.986 N/A ASP 95.A N GLN 91.A O no hydrogen 2.750 N/A ILE 96.A N LYS 92.A O no hydrogen 2.984 N/A ASN 97.A N THR 93.A O no hydrogen 2.837 N/A ASN 97.A ND2.A ILE 76.A O no hydrogen 2.913 N/A ASN 97.A ND2.B ILE 76.A O no hydrogen 2.884 N/A ASN 97.A ND2.B THR 93.A O no hydrogen 3.447 N/A LEU 98.A N ILE 94.A O no hydrogen 3.007 N/A THR 99.A N ILE 94.A O no hydrogen 2.899 N/A GLY 100.A N ASP 95.A O no hydrogen 2.888 N/A TYR 102.A N LEU 98.A O no hydrogen 3.056 N/A LEU 103.A N THR 99.A O no hydrogen 2.856 N/A CYS 104.A N GLY 100.A O no hydrogen 2.997 N/A CYS 104.A SG GLY 100.A O no hydrogen 3.312 N/A ASP 105.A N VAL 101.A O no hydrogen 2.835 N/A LYS 106.A N TYR 102.A O no hydrogen 2.717 N/A TYR 107.A N LEU 103.A O no hydrogen 3.129 N/A ALA 108.A N CYS 104.A O no hydrogen 2.944 N/A ILE 109.A N ASP 105.A O no hydrogen 2.881 N/A ASP 110.A N LYS 106.A O no hydrogen 3.042 N/A GLN 111.A N TYR 107.A O no hydrogen 3.289 N/A GLN 111.A NE2 GLN 115.A OE1 no hydrogen 2.943 N/A MET 112.A N ALA 108.A O no hydrogen 2.801 N/A ARG 113.A N ILE 109.A O no hydrogen 2.792 N/A ARG 113.A NE GLN 159.A OE1 no hydrogen 2.697 N/A ARG 113.A NH2 GLN 159.A OE1 no hydrogen 3.182 N/A SER 114.A N ASP 110.A O no hydrogen 3.118 N/A SER 114.A OG ASP 110.A O no hydrogen 3.045 N/A GLN 115.A N GLN 111.A O no hydrogen 2.961 N/A GLN 115.A NE2 LEU 67.A O no hydrogen 2.725 N/A GLN 115.A NE2 GLY 117.A O no hydrogen 2.993 N/A GLY 116.A N ARG 113.A O no hydrogen 3.378 N/A GLY 117.A N MET 112.A O no hydrogen 2.890 N/A GLY 118.A N ASN 160.A O no hydrogen 3.191 N/A VAL 119.A N ASP 68.A O no hydrogen 3.053 N/A ILE 120.A N ARG 162.A O no hydrogen 2.896 N/A VAL 121.A N MET 70.A O no hydrogen 2.867 N/A ASN 122.A N ASN 164.A O no hydrogen 2.795 N/A ASN 122.A ND2 ASP 105.A OD2 no hydrogen 2.940 N/A ASN 122.A ND2 THR 149.A OG1 no hydrogen 2.964 N/A CYS 123.A N ALA 72.A O no hydrogen 2.937 N/A CYS 123.A SG ASN 73.A OD1 no hydrogen 3.425 N/A CYS 123.A SG GLY 124.A O no hydrogen 3.520 N/A GLY 124.A N VAL 166.A O no hydrogen 2.747 N/A SER 125.A N SER 128.A OG no hydrogen 3.249 N/A ILE 126.A N PRO 168.A O no hydrogen 2.924 N/A HIS 127.A N SER 125.A OG no hydrogen 2.878 N/A HIS 127.A ND1 VAL 130.A O no hydrogen 2.831 N/A HIS 127.A NE2 TYR 170.A OH no hydrogen 2.841 N/A SER 128.A N SER 125.A O no hydrogen 2.847 N/A SER 128.A OG SER 125.A O no hydrogen 3.332 N/A SER 128.A OG LYS 142.A O no hydrogen 2.768 N/A HIS 129.A N ILE 126.A O no hydrogen 2.946 N/A VAL 130.A N ILE 126.A O no hydrogen 2.917 N/A VAL 135.A N LYS 132.A O no hydrogen 3.022 N/A THR 136.A N ASP 79.A OD1 no hydrogen 3.038 N/A THR 136.A OG1 ALA 80.A O no hydrogen 2.675 N/A ALA 137.A N ASP 79.A OD1 no hydrogen 3.009 N/A TYR 138.A N ASP 79.A OD2 no hydrogen 2.739 N/A ALA 140.A N THR 136.A O no hydrogen 3.139 N/A ALA 141.A N ALA 137.A O no hydrogen 2.891 N/A LYS 142.A N TYR 138.A O no hydrogen 2.868 N/A LYS 142.A NZ CYS 123.A O no hydrogen 2.782 N/A LYS 142.A NZ GLY 124.A O no hydrogen 3.452 N/A GLY 143.A N ALA 139.A O no hydrogen 2.814 N/A GLY 144.A N ALA 140.A O no hydrogen 3.032 N/A VAL 145.A N ALA 141.A O no hydrogen 2.902 N/A LYS 146.A N LYS 142.A O no hydrogen 3.047 N/A LYS 146.A NZ GLN 150.A OE1 no hydrogen 2.582 N/A LEU 147.A N GLY 143.A O no hydrogen 3.254 N/A LEU 148.A N GLY 144.A O no hydrogen 2.899 N/A THR 149.A N VAL 145.A O no hydrogen 2.877 N/A THR 149.A OG1 VAL 145.A O no hydrogen 2.678 N/A GLN 150.A N LYS 146.A O no hydrogen 3.052 N/A THR 151.A N LEU 147.A O no hydrogen 2.980 N/A LEU 152.A N LEU 148.A O no hydrogen 2.993 N/A ALA 153.A N THR 149.A O no hydrogen 2.929 N/A ILE 154.A N GLN 150.A O no hydrogen 3.095 N/A ASP 155.A N THR 151.A O no hydrogen 2.925 N/A TYR 156.A N LEU 152.A O no hydrogen 2.816 N/A GLY 157.A N ALA 153.A O no hydrogen 2.884 N/A GLN 159.A N TYR 156.A O no hydrogen 2.844 N/A GLN 159.A NE2 ASP 155.A O no hydrogen 3.297 N/A ASN 160.A ND2 GLY 116.A O no hydrogen 3.018 N/A ILE 161.A N TYR 156.A O no hydrogen 3.252 N/A ARG 162.A N GLY 118.A O no hydrogen 3.179 N/A ARG 162.A NH1 LEU 203.A O no hydrogen 3.004 N/A ARG 162.A NH1 VAL 211.A O no hydrogen 3.051 N/A ARG 162.A NH2 LEU 203.A O no hydrogen 3.059 N/A VAL 163.A N ASN 212.A OD1 no hydrogen 2.991 N/A ASN 164.A N ILE 120.A O no hydrogen 3.156 N/A ASN 164.A ND2 VAL 211.A O no hydrogen 2.921 N/A ALA 165.A N ALA 214.A O no hydrogen 2.873 N/A VAL 166.A N ASN 122.A O no hydrogen 2.938 N/A CYS 167.A N LEU 216.A O no hydrogen 2.793 N/A CYS 167.A SG HIS 129.A NE2 no hydrogen 3.572 N/A GLY 169.A N VAL 218.A O no hydrogen 2.889 N/A TYR 170.A N HIS 185.A NE2 no hydrogen 3.115 N/A TYR 170.A OH HIS 127.A NE2 no hydrogen 2.841 N/A ASP 172.A N GLY 191.A O no hydrogen 2.790 N/A LYS 177.A N PRO 174.A O no hydrogen 2.663 N/A LYS 178.A N PRO 174.A O no hydrogen 3.172 N/A LYS 178.A NZ ASP 172.A OD1 no hydrogen 3.447 N/A LYS 178.A NZ ASP 172.A OD2 no hydrogen 2.736 N/A GLN 179.A N ASP 175.A O no hydrogen 2.821 N/A ALA 180.A N ASP 176.A O no hydrogen 3.100 N/A LEU 181.A N LYS 177.A O no hydrogen 3.078 N/A VAL 182.A N LYS 178.A O no hydrogen 2.844 N/A ALA 183.A N GLN 179.A O no hydrogen 2.873 N/A LEU 184.A N LEU 181.A O no hydrogen 3.132 N/A HIS 185.A N VAL 182.A O no hydrogen 2.965 N/A HIS 185.A ND1 LEU 181.A O no hydrogen 2.758 N/A MET 187.A N GLY 220.A O no hydrogen 3.100 N/A GLY 188.A N HIS 185.A O no hydrogen 2.829 N/A ARG 189.A NH1 LEU 190.A O no hydrogen 3.255 N/A ARG 189.A NH1 GLU 195.A OE1 no hydrogen 2.887 N/A ARG 189.A NH1 GLU 195.A OE2 no hydrogen 3.509 N/A ARG 189.A NH2 GLU 195.A OE2 no hydrogen 2.861 N/A GLY 191.A N TYR 170.A O no hydrogen 2.910 N/A ARG 192.A N GLU 195.A OE1 no hydrogen 2.825 N/A GLU 194.A N GLU 194.A OE1 no hydrogen 2.773 N/A GLU 195.A N ARG 192.A O no hydrogen 2.930 N/A VAL 196.A N ARG 192.A O no hydrogen 3.333 N/A ALA 197.A N ALA 193.A O no hydrogen 2.945 N/A ASN 198.A N GLU 194.A O no hydrogen 2.959 N/A ALA 199.A N GLU 195.A O no hydrogen 3.350 N/A VAL 200.A N VAL 196.A O no hydrogen 2.997 N/A LEU 201.A N ALA 197.A O no hydrogen 2.890 N/A PHE 202.A N ASN 198.A O no hydrogen 3.081 N/A LEU 203.A N ALA 199.A O no hydrogen 2.951 N/A ALA 204.A N VAL 200.A O no hydrogen 2.842 N/A SER 205.A N PHE 202.A O no hydrogen 3.045 N/A SER 205.A OG PHE 202.A O no hydrogen 2.789 N/A SER 205.A OG GLU 207.A OE2 no hydrogen 2.921 N/A GLU 207.A N SER 205.A OG no hydrogen 3.046 N/A ALA 208.A N SER 205.A O no hydrogen 3.039 N/A SER 209.A N ASP 206.A O no hydrogen 3.253 N/A SER 209.A OG ASP 206.A O no hydrogen 3.367 N/A VAL 211.A N ALA 208.A O no hydrogen 2.904 N/A ASN 212.A ND2 ALA 153.A O no hydrogen 3.061 N/A GLY 213.A N VAL 163.A O no hydrogen 2.738 N/A ALA 214.A N ASN 164.A OD1 no hydrogen 2.868 N/A LEU 216.A N ALA 165.A O no hydrogen 2.861 N/A VAL 218.A N CYS 167.A O no hydrogen 2.934 N/A GLY 221.A N ASP 219.A OD1 no hydrogen 2.982 N/A TYR 222.A N ASP 219.A O no hydrogen 3.045 N/A THR 223.A N ASP 219.A OD2 no hydrogen 2.930 N/A THR 223.A OG1 ASP 219.A OD2 no hydrogen 2.802 N/A ALA 224.A N GLY 221.A O no hydrogen 3.053 N/A GLN 225.A NE2 LEU 184.A O no hydrogen 3.440 N/A