Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3i4t_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): SER 2.A OG ALA 67.A O no hydrogen 2.506 N/A SER 2.A OG LYS 70.A O no hydrogen 2.713 N/A LEU 4.A N GLU 99.A O no hydrogen 2.995 N/A TYR 5.A N VAL 72.A O no hydrogen 2.735 N/A ILE 6.A N LYS 101.A O no hydrogen 2.822 N/A ILE 7.A N LEU 74.A O no hydrogen 2.861 N/A GLY 8.A N ILE 103.A O no hydrogen 2.969 N/A LEU 9.A N VAL 76.A O no hydrogen 2.850 N/A GLY 10.A N GLY 78.A O no hydrogen 3.312 N/A TYR 12.A N ASP 16.A OD2 no hydrogen 3.020 N/A ASP 13.A N ASP 16.A OD2 no hydrogen 3.268 N/A GLU 14.A N GLU 14.A OE1 no hydrogen 2.804 N/A LYS 15.A N ASP 13.A OD1 no hydrogen 2.855 N/A ASP 16.A N ASP 13.A O no hydrogen 3.032 N/A GLY 21.A N THR 18.A OG1 no hydrogen 2.964 N/A LEU 22.A N THR 18.A O no hydrogen 2.787 N/A GLU 23.A N VAL 19.A O no hydrogen 2.889 N/A ALA 24.A N ARG 20.A O no hydrogen 2.957 N/A VAL 25.A N GLY 21.A O no hydrogen 3.018 N/A LYS 26.A N LEU 22.A O no hydrogen 3.117 N/A SER 27.A N GLU 23.A O no hydrogen 2.974 N/A SER 27.A N ALA 24.A O no hydrogen 3.030 N/A SER 27.A OG ALA 24.A O no hydrogen 3.127 N/A CYS 28.A N ALA 24.A O no hydrogen 2.959 N/A CYS 28.A N VAL 25.A O no hydrogen 3.195 N/A CYS 28.A SG ALA 24.A O no hydrogen 3.381 N/A ASP 29.A N ASN 71.A O no hydrogen 2.870 N/A PHE 32.A N ALA 73.A O no hydrogen 2.700 N/A LEU 33.A N ILE 56.A O no hydrogen 2.742 N/A GLU 34.A N LEU 75.A O no hydrogen 3.042 N/A THR 37.A N GLU 34.A O no hydrogen 2.770 N/A THR 37.A OG1 GLU 34.A O no hydrogen 2.419 N/A ALA 38.A N HIS 35.A O no hydrogen 2.930 N/A ILE 39.A N TYR 36.A O no hydrogen 3.489 N/A LEU 40.A N THR 37.A O no hydrogen 3.033 N/A GLN 41.A N TYR 12.A O no hydrogen 2.750 N/A GLN 41.A NE2 ASP 207.A OD1 no hydrogen 3.309 N/A LEU 47.A N ASP 43.A O no hydrogen 2.984 N/A GLU 48.A N VAL 44.A O no hydrogen 2.867 N/A GLU 49.A N ALA 45.A O no hydrogen 3.287 N/A PHE 50.A N LYS 46.A O no hydrogen 2.955 N/A TYR 51.A N LEU 47.A O no hydrogen 2.933 N/A LYS 53.A N GLU 48.A O no hydrogen 3.053 N/A LYS 53.A NZ CYS 28.A O no hydrogen 3.031 N/A LYS 54.A NZ GLU 48.A OE1 no hydrogen 3.161 N/A VAL 55.A N GLU 48.A OE2 no hydrogen 2.823 N/A ILE 56.A N VAL 31.A O no hydrogen 2.770 N/A GLY 58.A N LEU 33.A O no hydrogen 3.324 N/A GLU 65.A N ASP 61.A O no hydrogen 2.948 N/A LYS 68.A N LEU 64.A O no hydrogen 3.094 N/A LYS 68.A N GLU 65.A O no hydrogen 3.362 N/A LYS 68.A NZ GLU 65.A OE1 no hydrogen 2.728 N/A LYS 68.A NZ GLU 65.A OE2 no hydrogen 3.023 N/A THR 69.A N PRO 66.A O no hydrogen 2.776 N/A THR 69.A OG1 PRO 66.A O no hydrogen 3.034 N/A LYS 70.A N PRO 66.A O no hydrogen 2.800 N/A VAL 72.A N MET 3.A O no hydrogen 2.929 N/A ALA 73.A N LEU 30.A O no hydrogen 2.880 N/A LEU 74.A N TYR 5.A O no hydrogen 2.663 N/A LEU 75.A N PHE 32.A O no hydrogen 2.720 N/A VAL 76.A N ILE 7.A O no hydrogen 2.992 N/A GLY 78.A N GLY 10.A O no hydrogen 2.707 N/A GLY 82.A N ASP 79.A OD2 no hydrogen 2.945 N/A ALA 83.A N ASP 79.A O no hydrogen 2.916 N/A THR 84.A N VAL 80.A O no hydrogen 3.467 N/A THR 85.A OG1 ALA 83.A O no hydrogen 3.552 N/A HIS 86.A ND1 VAL 80.A O no hydrogen 2.760 N/A HIS 86.A NE2 GLU 34.A OE2 no hydrogen 3.121 N/A SER 87.A OG THR 84.A O no hydrogen 3.310 N/A VAL 91.A N SER 87.A O no hydrogen 3.508 N/A ARG 92.A N ASP 88.A O no hydrogen 2.904 N/A CYS 93.A N ILE 89.A O no hydrogen 2.845 N/A CYS 93.A SG ILE 89.A O no hydrogen 3.353 N/A GLN 94.A N PHE 90.A O no hydrogen 2.960 N/A LYS 95.A N VAL 91.A O no hydrogen 2.903 N/A MET 96.A N CYS 93.A O no hydrogen 3.115 N/A GLY 97.A N GLN 94.A O no hydrogen 3.229 N/A ILE 98.A N CYS 93.A O no hydrogen 2.949 N/A LYS 101.A N LEU 4.A O no hydrogen 2.797 N/A ILE 103.A N ILE 6.A O no hydrogen 2.798 N/A ASN 105.A N ASP 79.A OD1 no hydrogen 3.254 N/A ASN 105.A ND2 GLY 8.A O no hydrogen 2.843 N/A ASN 105.A ND2 ASP 16.A O no hydrogen 2.662 N/A ALA 106.A N ASN 105.A OD1 no hydrogen 2.656 N/A MET 109.A N SER 107.A OG no hydrogen 2.968 N/A ASN 110.A N SER 107.A O no hydrogen 3.156 N/A ALA 111.A N SER 107.A O no hydrogen 2.909 N/A ILE 112.A N ILE 108.A O no hydrogen 3.197 N/A GLY 113.A N ASN 110.A O no hydrogen 2.905 N/A CYS 114.A N ALA 111.A O no hydrogen 3.123 N/A CYS 114.A SG ALA 111.A O no hydrogen 3.259 N/A SER 115.A N ILE 112.A O no hydrogen 3.120 N/A SER 115.A OG ILE 112.A O no hydrogen 2.696 N/A GLY 116.A N GLY 113.A O no hydrogen 3.175 N/A LEU 117.A N SER 115.A OG no hydrogen 3.196 N/A GLN 118.A N.A GLU 241.A OE2 no hydrogen 2.756 N/A GLN 118.A N.B GLU 241.A OE2 no hydrogen 2.753 N/A ARG 121.A N GLN 118.A O.A no hydrogen 3.096 N/A ARG 121.A N GLN 118.A O.B no hydrogen 2.949 N/A ARG 121.A NH1 GLN 236.A O no hydrogen 3.020 N/A ARG 121.A NH1 ASP 238.A OD2 no hydrogen 3.263 N/A ARG 121.A NH2 ASN 151.A O no hydrogen 2.903 N/A ARG 121.A NH2 GLN 236.A O no hydrogen 2.907 N/A PHE 122.A N LEU 119.A O no hydrogen 3.252 N/A GLY 123.A N HIS 153.A O no hydrogen 2.836 N/A GLN 124.A N ASN 147.A OD1 no hydrogen 3.290 N/A VAL 126.A N LEU 155.A O no hydrogen 3.096 N/A VAL 128.A N LEU 157.A O no hydrogen 2.929 N/A PHE 130.A N ASP 159.A OD2 no hydrogen 2.902 N/A TRP 131.A NE1 PRO 137.A O no hydrogen 2.833 N/A SER 132.A N TRP 135.A O no hydrogen 2.959 N/A TRP 135.A N SER 132.A O no hydrogen 2.893 N/A TYR 140.A OH GLN 178.A OE1 no hydrogen 2.654 N/A TYR 141.A N SER 138.A O no hydrogen 3.022 N/A TYR 141.A OH GLU 183.A OE1 no hydrogen 2.631 N/A ILE 144.A N TYR 140.A O no hydrogen 2.918 N/A LYS 145.A N TYR 141.A O no hydrogen 3.089 N/A LYS 145.A NZ ASP 149.A OD1 no hydrogen 3.407 N/A LYS 145.A NZ ASP 149.A OD2 no hydrogen 2.649 N/A ILE 146.A N PRO 142.A O no hydrogen 3.085 N/A ASN 147.A N LYS 143.A O no hydrogen 3.189 N/A ASN 147.A ND2 GLN 124.A O no hydrogen 2.989 N/A ASN 147.A ND2 THR 154.A OG1 no hydrogen 2.813 N/A ARG 148.A N ILE 144.A O no hydrogen 2.955 N/A ARG 148.A NE VAL 190.A O no hydrogen 2.842 N/A ARG 148.A NH1 PRO 233.A O no hydrogen 2.615 N/A ARG 148.A NH2 VAL 190.A O no hydrogen 3.276 N/A ASP 149.A N LYS 145.A O no hydrogen 2.764 N/A ASN 150.A N ILE 146.A O no hydrogen 3.081 N/A ASN 150.A ND2 ILE 146.A O no hydrogen 2.671 N/A ASN 151.A N ARG 148.A O no hydrogen 2.978 N/A ASN 151.A ND2 GLN 236.A OE1 no hydrogen 2.811 N/A MET 152.A N ASN 147.A O no hydrogen 2.650 N/A HIS 153.A N ARG 121.A O no hydrogen 2.808 N/A HIS 153.A NE2 GLU 241.A OE2 no hydrogen 2.880 N/A THR 154.A N ILE 232.A O no hydrogen 2.805 N/A VAL 156.A N LEU 230.A O no hydrogen 2.770 N/A LEU 157.A N VAL 126.A O no hydrogen 2.772 N/A ILE 160.A N ASP 159.A OD1 no hydrogen 2.810 N/A LYS 161.A N ARG 168.A O no hydrogen 3.001 N/A ARG 168.A N LYS 161.A O no hydrogen 2.998 N/A MET 170.A N ASP 159.A O no hydrogen 3.054 N/A THR 171.A N GLN 174.A OE1 no hydrogen 2.963 N/A THR 171.A OG1 GLN 174.A OE1 no hydrogen 3.133 N/A ILE 172.A N HIS 228.A ND1 no hydrogen 3.318 N/A ASN 173.A ND2 LEU 219.A O no hydrogen 2.805 N/A ASN 173.A ND2 TYR 221.A O no hydrogen 2.701 N/A GLN 174.A N THR 171.A OG1 no hydrogen 2.963 N/A CYS 175.A N THR 171.A O no hydrogen 2.874 N/A ILE 176.A N ILE 172.A O no hydrogen 2.801 N/A GLU 177.A N ASN 173.A O no hydrogen 2.981 N/A GLN 178.A N GLN 174.A O no hydrogen 3.192 N/A GLN 178.A NE2 CYS 129.A O no hydrogen 2.853 N/A LEU 179.A N CYS 175.A O no hydrogen 3.021 N/A LEU 180.A N ILE 176.A O no hydrogen 2.957 N/A GLU 181.A N GLU 177.A O no hydrogen 3.114 N/A VAL 182.A N GLN 178.A O no hydrogen 2.958 N/A GLU 183.A N LEU 179.A O no hydrogen 3.030 N/A LYS 184.A N LEU 180.A O no hydrogen 3.092 N/A GLU 185.A N GLU 181.A O no hydrogen 3.040 N/A GLN 186.A N VAL 182.A O no hydrogen 2.811 N/A HIS 187.A N GLU 183.A O no hydrogen 2.596 N/A LEU 188.A N TYR 141.A OH no hydrogen 3.102 N/A GLY 189.A N GLU 183.A OE2 no hydrogen 2.786 N/A VAL 190.A N GLU 183.A OE1 no hydrogen 3.028 N/A TYR 191.A OH LEU 179.A O no hydrogen 2.614 N/A ASP 192.A N THR 195.A OG1 no hydrogen 2.752 N/A THR 195.A N ASP 192.A O no hydrogen 2.645 N/A THR 195.A OG1 ASP 192.A O no hydrogen 3.112 N/A THR 195.A OG1 ASP 192.A OD1 no hydrogen 3.305 N/A VAL 197.A N GLY 213.A O no hydrogen 2.793 N/A VAL 198.A N LEU 231.A O no hydrogen 2.989 N/A GLY 199.A N VAL 211.A O no hydrogen 2.838 N/A MET 200.A N CYS 229.A O no hydrogen 2.926 N/A ALA 201.A N LYS 209.A O no hydrogen 2.818 N/A ARG 202.A N MET 227.A O no hydrogen 2.890 N/A ARG 202.A NE ASP 207.A O no hydrogen 3.017 N/A ARG 202.A NH1 PHE 223.A O no hydrogen 2.768 N/A ARG 202.A NH1 ALA 225.A O no hydrogen 2.673 N/A ARG 202.A NH2 ASP 207.A O no hydrogen 3.133 N/A ARG 202.A NH2 PHE 223.A O no hydrogen 3.214 N/A ALA 204.A N GLN 208.A OE1 no hydrogen 2.785 N/A CYS 205.A N ARG 202.A O no hydrogen 3.009 N/A CYS 205.A SG LEU 11.A O no hydrogen 3.514 N/A CYS 205.A SG VAL 203.A O no hydrogen 3.739 N/A GLN 208.A N CYS 205.A O no hydrogen 3.218 N/A LYS 209.A N ALA 201.A O no hydrogen 2.906 N/A VAL 211.A N GLY 199.A O no hydrogen 2.958 N/A TYR 212.A N PHE 248.A O no hydrogen 2.795 N/A GLY 213.A N VAL 197.A O no hydrogen 2.947 N/A MET 215.A N THR 195.A O no hydrogen 3.128 N/A LYS 216.A N GLU 193.A O no hydrogen 2.980 N/A LYS 216.A NZ ASP 194.A OD1 no hydrogen 3.368 N/A ASP 217.A N LYS 214.A O no hydrogen 3.068 N/A LEU 218.A N LYS 214.A O no hydrogen 2.886 N/A LEU 219.A N MET 215.A O no hydrogen 2.886 N/A TYR 221.A N LEU 218.A O no hydrogen 3.107 N/A GLY 224.A N ASP 222.A OD1 no hydrogen 3.035 N/A CYS 229.A N MET 200.A O no hydrogen 2.927 N/A LEU 230.A N VAL 156.A O no hydrogen 3.200 N/A LEU 231.A N VAL 198.A O no hydrogen 2.840 N/A ILE 232.A N THR 154.A O no hydrogen 2.852 N/A ALA 234.A N HIS 153.A ND1 no hydrogen 2.745 N/A GLN 236.A N ASN 151.A OD1 no hydrogen 3.336 N/A ASP 238.A N GLU 241.A OE1 no hydrogen 2.961 N/A LEU 242.A N ASP 238.A O no hydrogen 2.897 N/A ASP 243.A N ASP 239.A O no hydrogen 2.893 N/A GLN 244.A N GLU 241.A O no hydrogen 3.111 N/A LEU 245.A N GLU 241.A O no hydrogen 3.029 N/A GLU 246.A N LEU 242.A O no hydrogen 3.061 N/A TYR 247.A N GLN 244.A O no hydrogen 3.287 N/A PHE 248.A N LEU 245.A O no hydrogen 2.830 N/A LYS 249.A N GLU 246.A O no hydrogen 3.093 N/A LYS 249.A NZ GLU 246.A OE1 no hydrogen 3.309 N/A TYR 250.A N TYR 212.A O no hydrogen 2.904 N/A