Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3i3n_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): SER 13.A OG GLU 17.A OE1 no hydrogen 2.930 N/A HIS 14.A N CYS 11.A O no hydrogen 3.028 N/A SER 16.A OG SER 13.A O no hydrogen 2.992 N/A GLU 17.A N SER 13.A O no hydrogen 3.191 N/A LEU 18.A N HIS 14.A O no hydrogen 2.866 N/A SER 19.A N CYS 15.A O no hydrogen 2.769 N/A SER 19.A OG TYR 86.A O no hydrogen 3.018 N/A TRP 20.A N SER 16.A O no hydrogen 2.952 N/A ARG 21.A N GLU 17.A O no hydrogen 2.977 N/A GLN 22.A N LEU 18.A O no hydrogen 3.044 N/A ASN 23.A N SER 19.A O no hydrogen 3.213 N/A ASN 23.A N TRP 20.A O no hydrogen 2.929 N/A ASN 23.A ND2 GLU 84.A OE1 no hydrogen 2.823 N/A GLU 24.A N TRP 20.A O no hydrogen 2.991 N/A GLN 25.A N ARG 21.A O no hydrogen 3.016 N/A ARG 26.A N GLN 22.A O no hydrogen 3.051 N/A ARG 26.A NE ASN 23.A OD1 no hydrogen 3.318 N/A ARG 26.A NH1 GLU 80.A OE1 no hydrogen 3.076 N/A ARG 26.A NH1 GLU 80.A OE2 no hydrogen 3.523 N/A ARG 26.A NH2 ASN 23.A OD1 no hydrogen 3.371 N/A ARG 26.A NH2 GLU 80.A OE2 no hydrogen 3.135 N/A ARG 27.A N ASN 23.A O no hydrogen 3.116 N/A GLN 28.A N GLN 25.A O no hydrogen 2.913 N/A GLN 28.A NE2 GLU 24.A O no hydrogen 2.897 N/A GLY 29.A N ARG 26.A O no hydrogen 2.911 N/A LEU 30.A N GLN 25.A O no hydrogen 2.920 N/A CYS 32.A SG LEU 30.A O no hydrogen 3.851 N/A ASP 33.A N ALA 44.A O no hydrogen 3.164 N/A ILE 34.A N ALA 44.A O no hydrogen 3.202 N/A LEU 36.A N PHE 42.A O no hydrogen 2.732 N/A CYS 37.A N VAL 64.A O no hydrogen 2.932 N/A CYS 37.A SG GLU 41.A OE2 no hydrogen 3.909 N/A PHE 42.A N LEU 36.A O no hydrogen 2.884 N/A ALA 44.A N ILE 34.A O no hydrogen 3.212 N/A HIS 45.A N TYR 86.A OH no hydrogen 2.833 N/A HIS 45.A ND1 TYR 86.A OH no hydrogen 2.660 N/A HIS 45.A NE2 LEU 30.A O no hydrogen 2.898 N/A ARG 46.A N ASP 33.A OD1 no hydrogen 2.696 N/A LEU 49.A N HIS 45.A O no hydrogen 3.075 N/A ALA 50.A N ARG 46.A O no hydrogen 2.902 N/A ALA 51.A N SER 47.A O no hydrogen 3.045 N/A ALA 52.A N VAL 48.A O no hydrogen 2.871 N/A ALA 52.A N LEU 49.A O no hydrogen 2.996 N/A THR 53.A N LEU 49.A O no hydrogen 3.106 N/A THR 53.A OG1 PHE 107.A O no hydrogen 2.562 N/A TYR 55.A N THR 53.A OG1 no hydrogen 3.039 N/A PHE 56.A N THR 53.A O no hydrogen 3.164 N/A THR 57.A N GLU 54.A O no hydrogen 3.246 N/A LEU 59.A N PHE 56.A O no hydrogen 3.126 N/A LEU 60.A N THR 57.A O no hydrogen 3.223 N/A VAL 64.A N THR 35.A O no hydrogen 2.868 N/A SER 69.A N GLU 102.A OE2 no hydrogen 3.069 N/A SER 69.A OG GLU 102.A OE1 no hydrogen 3.017 N/A SER 69.A OG GLU 102.A OE2 no hydrogen 3.482 N/A GLY 73.A N SER 70.A O no hydrogen 2.833 N/A GLU 75.A N GLU 99.A OE2 no hydrogen 2.886 N/A THR 78.A N GLU 75.A O no hydrogen 2.665 N/A VAL 79.A N GLU 75.A O no hydrogen 3.050 N/A GLU 80.A N PRO 76.A O no hydrogen 3.084 N/A ALA 81.A N ASP 77.A O no hydrogen 3.233 N/A VAL 82.A N THR 78.A O no hydrogen 3.117 N/A VAL 82.A N VAL 79.A O no hydrogen 2.947 N/A ILE 83.A N VAL 79.A O no hydrogen 2.805 N/A GLU 84.A N GLU 80.A O no hydrogen 2.827 N/A TYR 85.A N ALA 81.A O no hydrogen 3.012 N/A TYR 86.A OH HIS 45.A ND1 no hydrogen 2.660 N/A THR 87.A N GLU 84.A O no hydrogen 2.882 N/A THR 87.A N TYR 85.A O no hydrogen 3.073 N/A THR 87.A OG1 GLU 84.A O no hydrogen 3.002 N/A GLY 88.A N TYR 85.A O no hydrogen 2.547 N/A ARG 89.A N THR 87.A OG1 no hydrogen 3.186 N/A SER 93.A N SER 96.A OG no hydrogen 3.412 N/A SER 96.A N SER 93.A O no hydrogen 3.105 N/A VAL 97.A N SER 93.A O no hydrogen 2.748 N/A VAL 100.A N SER 96.A O no hydrogen 2.998 N/A LEU 101.A N VAL 97.A O no hydrogen 2.958 N/A GLU 102.A N HIS 98.A O no hydrogen 3.049 N/A LEU 103.A N GLU 99.A O no hydrogen 3.009 N/A ALA 104.A N VAL 100.A O no hydrogen 2.798 N/A ASP 105.A N LEU 101.A O no hydrogen 2.868 N/A ARG 106.A N GLU 102.A O no hydrogen 2.924 N/A PHE 107.A N LEU 103.A O no hydrogen 2.932 N/A LEU 108.A N ASP 105.A O no hydrogen 3.383 N/A LEU 109.A N ALA 104.A O no hydrogen 2.859 N/A ILE 110.A N LEU 108.A O no hydrogen 2.881 N/A LYS 113.A N LEU 109.A O no hydrogen 2.838 N/A LYS 113.A NZ ASP 105.A OD1 no hydrogen 2.825 N/A LYS 113.A NZ TYR 138.A O no hydrogen 2.878 N/A GLU 114.A N ILE 110.A O no hydrogen 2.798 N/A PHE 115.A N ARG 111.A O no hydrogen 3.002 N/A CYS 116.A N LEU 112.A O no hydrogen 2.974 N/A CYS 116.A SG LEU 112.A O no hydrogen 3.617 N/A GLY 117.A N LYS 113.A O no hydrogen 3.159 N/A GLU 118.A N GLU 114.A O no hydrogen 3.294 N/A GLU 118.A N PHE 115.A O no hydrogen 2.851 N/A PHE 119.A N PHE 115.A O no hydrogen 2.929 N/A LEU 120.A N CYS 116.A O no hydrogen 2.975 N/A LYS 121.A N GLY 117.A O no hydrogen 3.125 N/A LYS 121.A NZ GLU 118.A OE2 no hydrogen 3.181 N/A LYS 122.A N GLU 118.A O no hydrogen 3.028 N/A LYS 122.A N PHE 119.A O no hydrogen 3.234 N/A LYS 123.A N PHE 119.A O no hydrogen 3.231 N/A LYS 123.A N LEU 120.A O no hydrogen 3.020 N/A HIS 125.A N ASN 128.A OD1 no hydrogen 2.883 N/A SER 127.A N HIS 125.A ND1 no hydrogen 2.923 N/A ASN 128.A N HIS 125.A O no hydrogen 2.571 N/A ASN 128.A ND2 LYS 123.A O no hydrogen 3.322 N/A CYS 129.A N HIS 125.A O no hydrogen 2.916 N/A CYS 129.A SG LEU 126.A O no hydrogen 3.523 N/A ILE 132.A N ASN 128.A O no hydrogen 2.817 N/A HIS 133.A N CYS 129.A O no hydrogen 2.750 N/A SER 134.A N VAL 130.A O no hydrogen 3.030 N/A LEU 135.A N ALA 131.A O no hydrogen 3.257 N/A ALA 136.A N ILE 132.A O no hydrogen 2.862 N/A HIS 137.A N HIS 133.A O no hydrogen 3.058 N/A THR 139.A N HIS 137.A O no hydrogen 3.205 N/A LEU 140.A N ALA 136.A O no hydrogen 2.612 N/A ALA 144.A N LEU 140.A O no hydrogen 2.737 N/A LEU 145.A N SER 141.A O no hydrogen 3.103 N/A LYS 146.A N GLN 142.A O no hydrogen 3.227 N/A ALA 147.A N LEU 143.A O no hydrogen 2.905 N/A ALA 148.A N ALA 144.A O no hydrogen 2.766 N/A ASP 149.A N LEU 145.A O no hydrogen 2.831 N/A ARG 151.A N ALA 148.A O no hydrogen 2.923 N/A ARG 151.A NE ASP 177.A OD1 no hydrogen 3.194 N/A ARG 151.A NH2 ASP 177.A OD1 no hydrogen 3.294 N/A ARG 152.A N ASP 149.A O no hydrogen 3.088 N/A PHE 154.A N ARG 151.A O no hydrogen 3.091 N/A HIS 155.A N THR 181.A O no hydrogen 3.233 N/A LYS 156.A N ASN 153.A O no hydrogen 2.776 N/A VAL 157.A N ASN 153.A O no hydrogen 2.954 N/A ILE 158.A N PHE 154.A O no hydrogen 3.066 N/A GLN 159.A N LYS 156.A O no hydrogen 3.128 N/A ASP 160.A N VAL 157.A O no hydrogen 3.265 N/A TYR 164.A N GLU 161.A O no hydrogen 3.011 N/A TYR 164.A OH ILE 158.A O no hydrogen 2.535 N/A THR 165.A N GLU 162.A O no hydrogen 2.874 N/A THR 165.A OG1 GLU 162.A O no hydrogen 2.578 N/A LEU 166.A N PHE 163.A O no hydrogen 3.336 N/A LEU 170.A N PRO 167.A O no hydrogen 3.048 N/A ILE 171.A N PRO 167.A O no hydrogen 3.269 N/A ARG 172.A N PHE 168.A O no hydrogen 2.775 N/A ARG 172.A NH1 ASP 173.A OD1 no hydrogen 2.864 N/A ASP 173.A N HIS 169.A O no hydrogen 3.190 N/A TRP 174.A N LEU 170.A O no hydrogen 2.904 N/A LEU 175.A N ILE 171.A O no hydrogen 3.039 N/A SER 176.A N ARG 172.A O no hydrogen 3.098 N/A SER 176.A N ASP 173.A O no hydrogen 3.242 N/A SER 176.A OG ARG 172.A O no hydrogen 2.702 N/A ASP 177.A N TRP 174.A O no hydrogen 2.995 N/A ILE 180.A N ASP 177.A OD2 no hydrogen 3.171 N/A THR 181.A N ARG 151.A O no hydrogen 3.094 N/A THR 181.A OG1 ARG 151.A O no hydrogen 3.190 N/A THR 181.A OG1 ARG 152.A O no hydrogen 2.857 N/A GLU 186.A N GLU 186.A OE2 no hydrogen 2.678 N/A VAL 187.A N SER 184.A O no hydrogen 3.229 N/A PHE 189.A N GLU 185.A O no hydrogen 3.423 N/A PHE 189.A N GLU 186.A O no hydrogen 3.037 N/A GLU 190.A N GLU 186.A O no hydrogen 3.208 N/A THR 191.A N VAL 187.A O no hydrogen 2.775 N/A THR 191.A OG1 VAL 187.A O no hydrogen 2.861 N/A VAL 192.A N LEU 188.A O no hydrogen 3.014 N/A LEU 193.A N PHE 189.A O no hydrogen 3.109 N/A LYS 194.A N GLU 190.A O no hydrogen 3.204 N/A TRP 195.A N THR 191.A O no hydrogen 2.987 N/A TRP 195.A NE1 LEU 166.A O no hydrogen 3.044 N/A VAL 196.A N VAL 192.A O no hydrogen 3.049 N/A GLN 197.A N LEU 193.A O no hydrogen 2.760 N/A ASN 199.A N VAL 196.A O no hydrogen 3.120 N/A GLU 202.A N ASN 199.A OD1 no hydrogen 2.946 N/A ARG 203.A N ASN 199.A O no hydrogen 3.091 N/A ARG 203.A N ALA 200.A O no hydrogen 3.336 N/A ARG 203.A NH1 TYR 164.A O no hydrogen 3.071 N/A ARG 203.A NH1 TRP 195.A O no hydrogen 2.754 N/A ARG 203.A NH2 TYR 164.A O no hydrogen 3.557 N/A GLU 204.A N ALA 200.A O no hydrogen 3.016 N/A TYR 206.A N ARG 203.A O no hydrogen 2.753 N/A LEU 210.A N TYR 206.A O no hydrogen 3.092 N/A PHE 211.A N PHE 207.A O no hydrogen 2.661 N/A LYS 212.A N GLU 208.A O no hydrogen 3.120 N/A LEU 213.A N LEU 210.A O no hydrogen 2.844 N/A LEU 214.A N PHE 211.A O no hydrogen 3.017 N/A GLN 218.A N ARG 215.A O no hydrogen 2.922 N/A LEU 223.A N LYS 219.A O no hydrogen 2.994 N/A THR 224.A N PRO 220.A O no hydrogen 3.113 N/A THR 224.A OG1 PRO 220.A O no hydrogen 3.155 N/A THR 224.A OG1 THR 221.A O no hydrogen 3.334 N/A ARG 225.A N THR 221.A O no hydrogen 2.769 N/A HIS 226.A N TYR 222.A O no hydrogen 2.718 N/A VAL 227.A N TYR 222.A O no hydrogen 2.995 N/A LYS 228.A N LEU 223.A O no hydrogen 2.909 N/A GLU 230.A N VAL 227.A O no hydrogen 3.226 N/A VAL 233.A N GLU 230.A O no hydrogen 2.970 N/A ALA 234.A N GLU 230.A O no hydrogen 2.977 N/A ASN 235.A N ARG 231.A O no hydrogen 2.994 N/A ASN 235.A ND2 ARG 231.A O no hydrogen 2.503 N/A ASN 236.A N VAL 233.A O no hydrogen 3.225 N/A ASN 236.A ND2 GLU 208.A OE2 no hydrogen 2.659 N/A CYS 239.A N ASN 236.A O no hydrogen 3.114 N/A CYS 239.A N ASN 236.A OD1 no hydrogen 3.127 N/A VAL 240.A N ASN 236.A O no hydrogen 3.012 N/A LYS 241.A N GLU 237.A O no hydrogen 2.902 N/A LEU 242.A N VAL 238.A O no hydrogen 3.273 N/A VAL 243.A N CYS 239.A O no hydrogen 2.976 N/A ALA 244.A N VAL 240.A O no hydrogen 2.969 N/A ASP 245.A N LYS 241.A O no hydrogen 2.982 N/A ALA 246.A N LEU 242.A O no hydrogen 3.045 N/A VAL 247.A N VAL 243.A O no hydrogen 2.847 N/A GLU 248.A N ALA 244.A O no hydrogen 2.851 N/A ARG 249.A N ASP 245.A O no hydrogen 2.815 N/A HIS 250.A N ALA 246.A O no hydrogen 2.955 N/A ALA 251.A N VAL 247.A O no hydrogen 3.307 N/A LEU 252.A N GLU 248.A O no hydrogen 3.004 N/A ARG 253.A N ARG 249.A O no hydrogen 2.739 N/A ARG 253.A NE HIS 250.A ND1 no hydrogen 3.551 N/A ALA 254.A N ALA 251.A O no hydrogen 2.956 N/A