Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3k2e_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): THR 2.A N ALA 32.A O no hydrogen 2.792 N/A GLY 3.A N ALA 32.A O no hydrogen 3.243 N/A LEU 5.A N GLN 33.A OE1 no hydrogen 3.023 N/A MET 6.A N GLN 33.A O no hydrogen 2.805 N/A GLU 7.A N MET 4.A O no hydrogen 3.093 N/A LYS 9.A N MET 6.A O no hydrogen 2.957 N/A LYS 9.A NZ ASP 236.A OD1 no hydrogen 2.946 N/A LYS 10.A N ASP 88.A OD2 no hydrogen 2.861 N/A LYS 10.A NZ SER 86.A OG no hydrogen 3.039 N/A GLY 11.A N GLU 36.A O no hydrogen 2.939 N/A VAL 12.A N PHE 89.A O no hydrogen 3.195 N/A ILE 13.A N ALA 38.A O no hydrogen 2.942 N/A ILE 14.A N VAL 91.A O no hydrogen 2.809 N/A LYS 20.A N ASN 18.A OD1 no hydrogen 2.695 N/A LYS 20.A NZ ASP 19.A OD1 no hydrogen 2.697 N/A TRP 24.A N SER 21.A OG no hydrogen 3.041 N/A GLY 25.A N SER 21.A O no hydrogen 2.977 N/A ILE 26.A N LEU 22.A O no hydrogen 2.888 N/A ALA 27.A N ALA 23.A O no hydrogen 2.900 N/A LYS 28.A N TRP 24.A O no hydrogen 2.869 N/A ALA 29.A N GLY 25.A O no hydrogen 3.133 N/A VAL 30.A N ILE 26.A O no hydrogen 2.989 N/A CYS 31.A N ALA 27.A O no hydrogen 2.880 N/A CYS 31.A SG ALA 27.A O no hydrogen 3.132 N/A CYS 31.A SG LEU 57.A O no hydrogen 4.030 N/A ALA 32.A N LYS 28.A O no hydrogen 2.889 N/A GLN 33.A N ALA 29.A O no hydrogen 3.224 N/A GLN 33.A N VAL 30.A O no hydrogen 3.154 N/A GLY 34.A N CYS 31.A O no hydrogen 2.934 N/A ALA 35.A N VAL 30.A O no hydrogen 3.010 N/A GLU 36.A N LYS 9.A O no hydrogen 2.857 N/A ALA 38.A N GLY 11.A O no hydrogen 2.892 N/A LEU 39.A N LEU 61.A O no hydrogen 3.085 N/A THR 40.A N ILE 13.A O no hydrogen 3.328 N/A TYR 41.A N VAL 63.A O no hydrogen 2.962 N/A PHE 46.A N SER 43.A O no hydrogen 2.837 N/A LYS 47.A N GLU 44.A O no hydrogen 3.149 N/A LYS 47.A NZ ASP 51.A OD1 no hydrogen 2.810 N/A LYS 47.A NZ ASP 51.A OD2 no hydrogen 3.352 N/A ARG 49.A N PHE 46.A O no hydrogen 2.902 N/A VAL 50.A N PHE 46.A O no hydrogen 3.166 N/A ASP 51.A N LYS 47.A O no hydrogen 2.848 N/A ALA 54.A N VAL 50.A O no hydrogen 2.898 N/A GLU 55.A N ASP 51.A O no hydrogen 2.739 N/A SER 56.A N PRO 52.A O no hydrogen 2.923 N/A SER 56.A OG LEU 53.A O no hydrogen 2.981 N/A LEU 57.A N LEU 53.A O no hydrogen 3.066 N/A LEU 57.A N ALA 54.A O no hydrogen 3.073 N/A GLY 58.A N GLU 55.A O no hydrogen 3.056 N/A VAL 59.A N ALA 54.A O no hydrogen 2.867 N/A VAL 63.A N LEU 39.A O no hydrogen 2.964 N/A CYS 65.A N TYR 41.A O no hydrogen 2.770 N/A ASP 66.A N SER 72.A OG no hydrogen 2.808 N/A SER 68.A N ASP 66.A OD1 no hydrogen 3.024 N/A SER 68.A OG ASP 66.A OD1 no hydrogen 2.973 N/A ASP 69.A N ASP 66.A O no hydrogen 2.906 N/A GLU 71.A N ASP 69.A OD1 no hydrogen 2.940 N/A SER 72.A N ASP 69.A O no hydrogen 2.940 N/A SER 72.A N ASP 69.A OD1 no hydrogen 3.400 N/A VAL 73.A N ASP 69.A O no hydrogen 3.075 N/A ASP 74.A N ALA 70.A O no hydrogen 2.812 N/A ASN 75.A N GLU 71.A O no hydrogen 2.845 N/A MET 76.A N SER 72.A O no hydrogen 3.031 N/A PHE 77.A N VAL 73.A O no hydrogen 3.072 N/A LYS 78.A N ASP 74.A O no hydrogen 2.924 N/A LYS 78.A NZ GLU 82.A OE1 no hydrogen 3.073 N/A LYS 78.A NZ GLU 82.A OE2 no hydrogen 3.017 N/A VAL 79.A N ASN 75.A O no hydrogen 2.921 N/A LEU 80.A N MET 76.A O no hydrogen 2.994 N/A ALA 81.A N PHE 77.A O no hydrogen 2.840 N/A GLU 82.A N LYS 78.A O no hydrogen 2.870 N/A GLU 83.A N VAL 79.A O no hydrogen 2.822 N/A TRP 84.A N LEU 80.A O no hydrogen 2.758 N/A LEU 87.A N LEU 135.A O no hydrogen 2.896 N/A ASP 88.A N LYS 10.A O no hydrogen 2.658 N/A PHE 89.A N LYS 10.A O no hydrogen 3.152 N/A VAL 90.A N SER 141.A O no hydrogen 3.068 N/A VAL 91.A N VAL 12.A O no hydrogen 2.879 N/A HIS 92.A N LEU 143.A O no hydrogen 2.909 N/A HIS 92.A ND1 THR 144.A OG1 no hydrogen 2.939 N/A HIS 92.A NE2 SER 124.A OG no hydrogen 2.852 N/A ALA 93.A N ILE 14.A O no hydrogen 2.873 N/A PHE 96.A N SER 121.A OG no hydrogen 2.944 N/A SER 97.A OG ASN 113.A OD1 no hydrogen 3.495 N/A SER 97.A OG SER 117.A OG.A no hydrogen 2.830 N/A ASP 98.A N ASN 113.A OD1 no hydrogen 2.866 N/A GLU 101.A N ASP 98.A O no hydrogen 3.111 N/A GLU 101.A N ASP 98.A OD1 no hydrogen 2.926 N/A LEU 102.A N LYS 99.A O no hydrogen 3.280 N/A GLY 104.A N GLU 101.A O no hydrogen 3.209 N/A ARG 105.A NE ASP 108.A OD2 no hydrogen 3.127 N/A ARG 105.A NH2 ASP 108.A OD1 no hydrogen 3.268 N/A ASP 108.A N ARG 105.A O no hydrogen 3.086 N/A THR 109.A N TYR 106.A O no hydrogen 2.861 N/A THR 109.A OG1 TYR 106.A O no hydrogen 2.582 N/A SER 110.A N GLU 101.A OE1 no hydrogen 2.912 N/A SER 110.A OG GLU 101.A OE1 no hydrogen 3.437 N/A SER 110.A OG GLU 101.A OE2 no hydrogen 2.614 N/A ASN 113.A N SER 110.A OG no hydrogen 3.180 N/A ASN 113.A ND2 GLU 101.A OE1 no hydrogen 2.864 N/A PHE 114.A N SER 110.A O no hydrogen 2.899 N/A LEU 115.A N LEU 111.A O no hydrogen 2.839 N/A THR 116.A N GLY 112.A O no hydrogen 2.932 N/A THR 116.A OG1 GLY 112.A O no hydrogen 2.931 N/A SER 117.A N ASN 113.A O no hydrogen 2.859 N/A SER 117.A OG.A PHE 96.A O no hydrogen 3.439 N/A SER 117.A OG.A SER 97.A OG no hydrogen 2.830 N/A SER 117.A OG.A ASN 113.A O no hydrogen 2.717 N/A SER 117.A OG.A ASN 113.A OD1 no hydrogen 2.876 N/A SER 117.A OG.B ASN 113.A O no hydrogen 2.941 N/A SER 117.A OG.B PHE 114.A O no hydrogen 2.803 N/A MET 118.A N PHE 114.A O no hydrogen 2.893 N/A HIS 119.A N LEU 115.A O no hydrogen 2.887 N/A ILE 120.A N THR 116.A O no hydrogen 3.003 N/A SER 121.A N SER 117.A O no hydrogen 2.836 N/A SER 121.A OG PHE 96.A O no hydrogen 2.991 N/A SER 121.A OG SER 117.A O no hydrogen 2.986 N/A CYS 122.A N MET 118.A O no hydrogen 2.955 N/A TYR 123.A N MET 118.A O no hydrogen 2.894 N/A SER 124.A N HIS 119.A O no hydrogen 2.860 N/A SER 124.A OG HIS 92.A NE2 no hydrogen 2.852 N/A SER 124.A OG ILE 120.A O no hydrogen 2.480 N/A PHE 125.A N CYS 122.A O no hydrogen 3.079 N/A TYR 127.A N TYR 123.A O no hydrogen 3.098 N/A TYR 127.A OH ASP 74.A OD1 no hydrogen 2.621 N/A TYR 127.A OH ASP 74.A OD2 no hydrogen 3.204 N/A ILE 128.A N SER 124.A O no hydrogen 2.895 N/A ALA 129.A N PHE 125.A O no hydrogen 2.782 N/A SER 130.A N THR 126.A O no hydrogen 2.899 N/A SER 130.A OG TYR 127.A O no hydrogen 2.681 N/A LYS 131.A N TYR 127.A O no hydrogen 3.052 N/A LYS 131.A NZ ASP 74.A OD1 no hydrogen 3.134 N/A ALA 132.A N ILE 128.A O no hydrogen 2.888 N/A GLU 133.A N ALA 129.A O no hydrogen 3.000 N/A LEU 135.A N ALA 132.A O no hydrogen 2.906 N/A MET 136.A N GLU 133.A O no hydrogen 3.080 N/A GLY 140.A N GLN 182.A O no hydrogen 3.282 N/A SER 141.A N ASP 88.A O no hydrogen 3.013 N/A SER 141.A OG LEU 233.A O no hydrogen 2.708 N/A ILE 142.A N ARG 184.A O no hydrogen 2.812 N/A LEU 143.A N VAL 90.A O no hydrogen 2.908 N/A THR 144.A N ASN 186.A O no hydrogen 2.934 N/A THR 144.A OG1 HIS 92.A ND1 no hydrogen 2.939 N/A THR 144.A OG1 HIS 92.A O no hydrogen 3.232 N/A LEU 145.A N THR 144.A OG1 no hydrogen 2.733 N/A SER 146.A N ILE 188.A O no hydrogen 2.678 N/A SER 146.A OG GLU 168.A OE2 no hydrogen 2.592 N/A TYR 147.A N SER 146.A OG no hydrogen 2.665 N/A ALA 150.A N TYR 147.A O no hydrogen 2.859 N/A GLU 151.A N TYR 148.A O no hydrogen 2.851 N/A LYS 152.A N TYR 148.A O no hydrogen 2.979 N/A HIS 156.A ND1 ASP 203.A OD2 no hydrogen 2.820 N/A ASN 158.A ND2 GLU 101.A O no hydrogen 2.879 N/A ASN 158.A ND2 GLY 104.A O no hydrogen 2.800 N/A MET 160.A N TYR 157.A O no hydrogen 2.864 N/A GLY 161.A N ASN 158.A O no hydrogen 2.892 N/A CYS 163.A N VAL 159.A O no hydrogen 2.889 N/A CYS 163.A SG SER 117.A OG.B no hydrogen 3.082 N/A CYS 163.A SG VAL 159.A O no hydrogen 3.373 N/A LYS 164.A N MET 160.A O no hydrogen 2.807 N/A LYS 164.A NZ LEU 145.A O no hydrogen 2.788 N/A ALA 165.A N GLY 161.A O no hydrogen 2.943 N/A ALA 166.A N VAL 162.A O no hydrogen 3.086 N/A LEU 167.A N CYS 163.A O no hydrogen 2.878 N/A GLU 168.A N LYS 164.A O no hydrogen 2.901 N/A ALA 169.A N ALA 165.A O no hydrogen 2.977 N/A SER 170.A N ALA 166.A O no hydrogen 2.782 N/A SER 170.A OG LEU 167.A O no hydrogen 2.610 N/A VAL 171.A N LEU 167.A O no hydrogen 2.935 N/A LYS 172.A N ALA 169.A O no hydrogen 3.031 N/A TYR 173.A N ALA 169.A O no hydrogen 3.346 N/A LEU 174.A N SER 170.A O no hydrogen 2.772 N/A ALA 175.A N VAL 171.A O no hydrogen 2.908 N/A VAL 176.A N LYS 172.A O no hydrogen 3.239 N/A ASP 177.A N TYR 173.A O no hydrogen 3.073 N/A LEU 178.A N LEU 174.A O no hydrogen 2.788 N/A GLN 182.A N GLY 179.A O no hydrogen 2.848 N/A ILE 183.A N LEU 178.A O no hydrogen 3.207 N/A ARG 184.A N GLY 140.A O no hydrogen 2.978 N/A ARG 184.A NH1 LEU 233.A O no hydrogen 3.068 N/A ARG 184.A NH1 SER 235.A O no hydrogen 2.769 N/A VAL 185.A N THR 242.A OG1 no hydrogen 2.984 N/A ASN 186.A N ILE 142.A O no hydrogen 2.997 N/A ASN 186.A ND2 THR 241.A O no hydrogen 3.051 N/A ALA 187.A N GLU 244.A O no hydrogen 2.782 N/A ILE 188.A N THR 144.A O no hydrogen 3.013 N/A SER 189.A N VAL 246.A O no hydrogen 2.824 N/A ALA 190.A N SER 146.A O no hydrogen 3.115 N/A GLY 191.A N VAL 248.A O no hydrogen 2.822 N/A ARG 194.A NE LEU 196.A O no hydrogen 3.204 N/A ILE 201.A N SER 199.A OG no hydrogen 3.210 N/A PHE 204.A N ILE 201.A O no hydrogen 2.982 N/A HIS 205.A N ILE 201.A O no hydrogen 3.230 N/A TYR 206.A N SER 202.A O no hydrogen 2.904 N/A ILE 207.A N ASP 203.A O no hydrogen 2.836 N/A LEU 208.A N PHE 204.A O no hydrogen 3.065 N/A THR 209.A N HIS 205.A O no hydrogen 2.970 N/A THR 209.A OG1 HIS 205.A O no hydrogen 3.103 N/A THR 209.A OG1 TYR 206.A O no hydrogen 3.146 N/A TRP 210.A N TYR 206.A O no hydrogen 2.812 N/A ASN 211.A N ILE 207.A O no hydrogen 2.964 N/A ASN 211.A ND2 ILE 207.A O no hydrogen 2.869 N/A LYS 212.A N LEU 208.A O no hydrogen 2.968 N/A TYR 213.A N THR 209.A O no hydrogen 2.948 N/A ASN 214.A N TRP 210.A O no hydrogen 2.930 N/A ASN 214.A ND2 TRP 210.A O no hydrogen 3.036 N/A SER 215.A N ASN 211.A O no hydrogen 2.958 N/A SER 215.A OG ASN 211.A O no hydrogen 2.873 N/A SER 215.A OG ARG 219.A O no hydrogen 3.143 N/A LEU 217.A N CYS 250.A O no hydrogen 3.207 N/A ARG 218.A N SER 215.A O no hydrogen 2.851 N/A ARG 219.A NH1 ASN 220.A O no hydrogen 3.001 N/A ARG 219.A NH1 ASP 225.A OD2 no hydrogen 2.807 N/A ARG 219.A NH2 ASP 225.A OD1 no hydrogen 3.086 N/A ARG 219.A NH2 ASP 225.A OD2 no hydrogen 3.373 N/A ASN 220.A ND2 LEU 208.A O no hydrogen 2.847 N/A THR 221.A OG1 VAL 248.A O no hydrogen 3.303 N/A THR 222.A N ASP 225.A OD2 no hydrogen 3.018 N/A ASP 225.A N THR 222.A OG1 no hydrogen 3.023 N/A VAL 226.A N THR 222.A O no hydrogen 3.239 N/A GLY 227.A N LEU 223.A O no hydrogen 2.806 N/A GLY 228.A N ASP 224.A O no hydrogen 2.935 N/A ALA 229.A N ASP 225.A O no hydrogen 3.188 N/A ALA 230.A N VAL 226.A O no hydrogen 2.910 N/A LEU 231.A N GLY 227.A O no hydrogen 2.816 N/A TYR 232.A N GLY 228.A O no hydrogen 3.080 N/A TYR 232.A OH THR 241.A OG1 no hydrogen 2.836 N/A LEU 233.A N ALA 229.A O no hydrogen 2.990 N/A LEU 234.A N ALA 230.A O no hydrogen 2.799 N/A SER 235.A N LEU 231.A O no hydrogen 3.070 N/A SER 235.A OG LEU 231.A O no hydrogen 2.690 N/A SER 235.A OG TYR 232.A O no hydrogen 3.546 N/A LEU 237.A N SER 235.A OG no hydrogen 3.124 N/A GLY 238.A N SER 235.A O no hydrogen 3.228 N/A ARG 239.A N ASP 236.A O no hydrogen 3.285 N/A THR 241.A N GLY 238.A O no hydrogen 3.134 N/A THR 241.A OG1 TYR 232.A OH no hydrogen 2.836 N/A THR 242.A OG1 VAL 185.A O no hydrogen 3.415 N/A GLY 243.A N VAL 185.A O no hydrogen 2.741 N/A GLU 244.A N ASN 186.A OD1 no hydrogen 2.961 N/A THR 245.A N GLU 244.A OE1 no hydrogen 2.907 N/A VAL 246.A N ALA 187.A O no hydrogen 2.872 N/A HIS 247.A NE2 GLU 151.A OE2 no hydrogen 2.605 N/A VAL 248.A N SER 189.A O no hydrogen 2.816 N/A CYS 250.A SG ARG 219.A O no hydrogen 3.660 N/A GLY 251.A N ASP 249.A OD1 no hydrogen 2.844 N/A TYR 252.A N ASP 249.A O no hydrogen 3.165 N/A HIS 253.A N ASP 249.A OD2 no hydrogen 2.888 N/A HIS 253.A ND1 ASP 249.A OD1 no hydrogen 3.267 N/A HIS 253.A ND1 ASP 249.A OD2 no hydrogen 3.102 N/A VAL 254.A N GLY 251.A O no hydrogen 2.964 N/A VAL 255.A N TYR 252.A O no hydrogen 2.925 N/A SER 259.A N ASN 214.A OD1 no hydrogen 2.847 N/A