Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3k1z_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ARG 1.A N VAL 178.A O no hydrogen 2.799 N/A LEU 2.A N VAL 178.A O no hydrogen 3.158 N/A LEU 3.A N ARG 123.A O no hydrogen 2.872 N/A THR 4.A N ALA 180.A O no hydrogen 2.805 N/A THR 4.A OG1 HIS 181.A ND1 no hydrogen 2.763 N/A TRP 5.A N ALA 125.A O no hydrogen 2.879 N/A ASP 6.A N VAL 182.A O no hydrogen 2.968 N/A VAL 7.A N ASP 6.A OD1 no hydrogen 2.585 N/A ASP 9.A N LEU 12.A O no hydrogen 3.089 N/A THR 10.A OG1 ASP 6.A O no hydrogen 2.563 N/A LEU 11.A N VAL 7.A O no hydrogen 2.976 N/A LEU 12.A N VAL 7.A O no hydrogen 2.899 N/A ARG 13.A N GLN 105.A O no hydrogen 3.016 N/A ARG 15.A N THR 103.A O no hydrogen 2.957 N/A ARG 15.A NE CYS 102.A O no hydrogen 3.096 N/A ARG 15.A NE TRP 104.A O no hydrogen 3.304 N/A ARG 15.A NH2 TRP 104.A O no hydrogen 2.776 N/A GLY 19.A N GLU 39.A OE1 no hydrogen 3.047 N/A ALA 21.A N PRO 17.A O no hydrogen 2.959 N/A TYR 22.A N LEU 18.A O no hydrogen 2.752 N/A ALA 23.A N GLY 19.A O no hydrogen 2.903 N/A THR 24.A N GLU 20.A O no hydrogen 2.782 N/A THR 24.A OG1 GLU 20.A O no hydrogen 2.834 N/A LYS 25.A N ALA 21.A O no hydrogen 3.059 N/A LYS 25.A NZ GLN 93.A OE1 no hydrogen 2.889 N/A LYS 25.A NZ ASP 97.A OD2 no hydrogen 2.779 N/A ALA 26.A N TYR 22.A O no hydrogen 2.861 N/A ARG 27.A N ALA 23.A O no hydrogen 2.894 N/A ARG 27.A NE GLU 32.A OE1 no hydrogen 3.262 N/A ARG 27.A NE GLU 32.A OE2 no hydrogen 3.091 N/A ARG 27.A NH2 GLU 32.A OE1 no hydrogen 2.962 N/A ALA 28.A N THR 24.A O no hydrogen 3.197 N/A HIS 29.A N LYS 25.A O no hydrogen 3.307 N/A HIS 29.A N ALA 26.A O no hydrogen 2.990 N/A HIS 29.A NE2 GLN 93.A OE1 no hydrogen 2.811 N/A GLY 30.A N ARG 27.A O no hydrogen 3.006 N/A LEU 31.A N ALA 26.A O no hydrogen 2.953 N/A LEU 38.A N GLU 34.A O no hydrogen 3.139 N/A GLU 39.A N PRO 35.A O no hydrogen 2.813 N/A GLN 40.A N SER 36.A O no hydrogen 3.092 N/A GLN 40.A NE2 SER 36.A O no hydrogen 3.526 N/A GLY 41.A N ALA 37.A O no hydrogen 2.903 N/A PHE 42.A N LEU 38.A O no hydrogen 2.767 N/A ARG 43.A N GLU 39.A O no hydrogen 3.100 N/A GLN 44.A N GLN 40.A O no hydrogen 3.145 N/A ALA 45.A N GLY 41.A O no hydrogen 2.754 N/A TYR 46.A N PHE 42.A O no hydrogen 2.739 N/A ARG 47.A N ARG 43.A O no hydrogen 3.132 N/A ALA 48.A N GLN 44.A O no hydrogen 2.944 N/A GLN 49.A N ALA 45.A O no hydrogen 2.905 N/A GLN 49.A NE2 ASP 70.A OD2 no hydrogen 3.124 N/A SER 50.A N TYR 46.A O no hydrogen 2.953 N/A SER 50.A OG TYR 46.A O no hydrogen 2.903 N/A HIS 51.A N ARG 47.A O no hydrogen 2.866 N/A SER 52.A N ALA 48.A O no hydrogen 3.381 N/A PHE 53.A N GLN 49.A O no hydrogen 2.773 N/A ASN 55.A ND2 SER 153.A O no hydrogen 3.071 N/A TYR 56.A OH ASN 129.A O.B no hydrogen 2.632 N/A GLY 57.A N PRO 54.A O no hydrogen 3.113 N/A LEU 58.A N ASN 55.A O no hydrogen 3.358 N/A HIS 60.A N GLY 57.A O no hydrogen 2.938 N/A LEU 62.A N GLY 57.A O no hydrogen 3.053 N/A SER 64.A OG GLU 154.A OE1 no hydrogen 2.615 N/A SER 64.A OG GLU 154.A OE2 no hydrogen 3.390 N/A GLN 66.A N THR 63.A OG1 no hydrogen 3.003 N/A GLN 66.A NE2 ASP 70.A OD1 no hydrogen 2.832 N/A TRP 67.A N THR 63.A O no hydrogen 2.932 N/A TRP 67.A NE1 PHE 53.A O no hydrogen 2.822 N/A TRP 68.A N SER 64.A O no hydrogen 3.001 N/A TRP 68.A NE1 ASP 131.A OD2 no hydrogen 2.890 N/A LEU 69.A N ARG 65.A O no hydrogen 2.933 N/A ASP 70.A N GLN 66.A O no hydrogen 2.854 N/A VAL 71.A N TRP 67.A O no hydrogen 3.057 N/A VAL 72.A N TRP 68.A O no hydrogen 2.860 N/A LEU 73.A N LEU 69.A O no hydrogen 2.879 N/A GLN 74.A N ASP 70.A O no hydrogen 2.962 N/A THR 75.A N VAL 71.A O no hydrogen 2.855 N/A THR 75.A OG1 VAL 71.A O no hydrogen 2.715 N/A PHE 76.A N VAL 72.A O no hydrogen 3.063 N/A HIS 77.A N LEU 73.A O no hydrogen 2.948 N/A LEU 78.A N GLN 74.A O no hydrogen 2.878 N/A ALA 79.A N THR 75.A O no hydrogen 3.063 N/A GLY 80.A N HIS 77.A O no hydrogen 2.985 N/A VAL 81.A N PHE 76.A O no hydrogen 2.834 N/A GLN 85.A N ASP 83.A OD1 no hydrogen 2.919 N/A ALA 86.A N ASP 83.A O no hydrogen 3.045 N/A VAL 87.A N ASP 83.A O no hydrogen 3.254 N/A ALA 88.A N ALA 84.A O no hydrogen 2.924 N/A ALA 91.A N VAL 87.A O no hydrogen 2.816 N/A GLU 92.A N ALA 88.A O no hydrogen 2.964 N/A GLN 93.A N PRO 89.A O no hydrogen 3.040 N/A LEU 94.A N ILE 90.A O no hydrogen 2.926 N/A TYR 95.A N ALA 91.A O no hydrogen 2.974 N/A LYS 96.A N GLU 92.A O no hydrogen 2.983 N/A ASP 97.A N GLN 93.A O no hydrogen 2.763 N/A PHE 98.A N LEU 94.A O no hydrogen 3.105 N/A SER 99.A N LYS 96.A O no hydrogen 3.114 N/A HIS 100.A N ASP 97.A O no hydrogen 2.973 N/A CYS 102.A N HIS 100.A ND1 no hydrogen 3.040 N/A CYS 102.A SG.A HIS 100.A ND1 no hydrogen 3.079 N/A THR 103.A N HIS 100.A O no hydrogen 3.012 N/A THR 103.A OG1 ASP 97.A O no hydrogen 2.613 N/A TRP 104.A N PRO 101.A O no hydrogen 3.076 N/A TRP 104.A NE1 PHE 98.A O no hydrogen 2.838 N/A GLN 105.A N ARG 13.A O no hydrogen 2.863 N/A LEU 107.A N LEU 11.A O no hydrogen 2.885 N/A ALA 110.A N LEU 107.A O no hydrogen 3.068 N/A THR 113.A N GLY 109.A O no hydrogen 2.991 N/A THR 113.A OG1 GLY 109.A O no hydrogen 2.880 N/A LEU 114.A N ALA 110.A O no hydrogen 3.019 N/A ARG 115.A N GLU 111.A O no hydrogen 2.945 N/A GLU 116.A N ASP 112.A O no hydrogen 2.924 N/A CYS 117.A N THR 113.A O no hydrogen 2.979 N/A CYS 117.A SG THR 113.A O no hydrogen 3.293 N/A ARG 118.A N LEU 114.A O no hydrogen 3.062 N/A ARG 118.A NH1 HIS 146.A ND1 no hydrogen 3.099 N/A THR 119.A N ARG 115.A O no hydrogen 2.965 N/A THR 119.A OG1 ARG 115.A O no hydrogen 3.477 N/A THR 119.A OG1 GLU 116.A O no hydrogen 2.680 N/A ARG 120.A N GLU 116.A O no hydrogen 3.097 N/A ARG 120.A NH1 ASP 233.A OD1 no hydrogen 2.741 N/A ARG 120.A NH2 ASP 233.A OD2 no hydrogen 2.996 N/A GLY 121.A N ARG 118.A O no hydrogen 2.802 N/A LEU 122.A N CYS 117.A O no hydrogen 3.150 N/A ARG 123.A N ARG 1.A O no hydrogen 2.909 N/A ARG 123.A NE ASP 148.A OD2 no hydrogen 2.888 N/A ARG 123.A NH2 ASP 148.A OD1 no hydrogen 2.866 N/A ARG 123.A NH2 ASP 148.A OD2 no hydrogen 3.473 N/A ALA 125.A N LEU 3.A O no hydrogen 3.101 N/A VAL 126.A N PHE 149.A O no hydrogen 3.092 N/A ILE 127.A N TRP 5.A O no hydrogen 2.896 N/A SER 128.A N LEU 151.A O no hydrogen 2.971 N/A SER 128.A OG ASP 6.A OD1 no hydrogen 2.695 N/A SER 128.A OG ASP 6.A OD2 no hydrogen 3.523 N/A ASN 129.A ND2 LYS 160.A O no hydrogen 2.997 N/A ARG 132.A N GLU 154.A OE1 no hydrogen 2.890 N/A ARG 133.A N ASP 131.A OD1 no hydrogen 2.950 N/A ARG 133.A NE ASP 131.A OD1 no hydrogen 2.864 N/A ARG 133.A NH1 TYR 95.A O no hydrogen 3.069 N/A ARG 133.A NH2 ASP 131.A OD2 no hydrogen 2.844 N/A LEU 134.A N ASP 131.A O no hydrogen 3.272 N/A ILE 137.A N ARG 133.A O no hydrogen 3.033 N/A LEU 138.A N LEU 134.A O no hydrogen 2.948 N/A GLY 139.A N GLU 135.A O no hydrogen 2.890 N/A GLY 140.A N GLY 136.A O no hydrogen 2.917 N/A LEU 141.A N ILE 137.A O no hydrogen 3.168 N/A LEU 141.A N LEU 138.A O no hydrogen 3.234 N/A GLY 142.A N GLY 139.A O no hydrogen 3.081 N/A LEU 143.A N LEU 138.A O no hydrogen 2.854 N/A ARG 144.A NE GLU 135.A OE1 no hydrogen 2.870 N/A ARG 144.A NE GLU 135.A OE2 no hydrogen 3.088 N/A ARG 144.A NH1 ARG 144.A O no hydrogen 2.925 N/A ARG 144.A NH1 PHE 147.A O no hydrogen 2.694 N/A HIS 146.A N LEU 143.A O no hydrogen 3.263 N/A HIS 146.A NE2 GLU 111.A OE1 no hydrogen 2.975 N/A PHE 147.A N ARG 144.A O no hydrogen 3.131 N/A ASP 148.A N LEU 124.A O no hydrogen 2.752 N/A LEU 151.A N VAL 126.A O no hydrogen 2.883 N/A SER 153.A N SER 128.A O no hydrogen 2.853 N/A SER 153.A OG ASN 55.A OD1 no hydrogen 3.032 N/A SER 153.A OG PHE 130.A O.A no hydrogen 3.453 N/A SER 153.A OG PHE 130.A O.B no hydrogen 3.348 N/A ALA 155.A N THR 152.A OG1 no hydrogen 2.930 N/A ALA 156.A N THR 152.A O no hydrogen 2.839 N/A GLY 157.A N SER 153.A O no hydrogen 2.909 N/A LYS 160.A N ASN 129.A OD1 no hydrogen 2.837 N/A LYS 160.A NZ ASP 6.A OD2 no hydrogen 2.296 N/A LYS 160.A NZ ILE 127.A O no hydrogen 3.232 N/A LYS 160.A NZ ASP 189.A OD1 no hydrogen 2.749 N/A ASP 162.A N PRO 159.A O no hydrogen 2.812 N/A ARG 164.A N ASP 162.A OD2 no hydrogen 2.863 N/A ARG 164.A NE ASP 162.A OD2 no hydrogen 2.914 N/A ARG 164.A NH2 ASP 162.A OD1 no hydrogen 2.918 N/A ILE 165.A N ASP 162.A O no hydrogen 3.231 N/A GLN 167.A N PRO 163.A O no hydrogen 2.882 N/A GLU 168.A N ARG 164.A O no hydrogen 2.987 N/A ALA 169.A N ILE 165.A O no hydrogen 3.055 N/A LEU 170.A N PHE 166.A O no hydrogen 2.963 N/A ARG 171.A N GLN 167.A O no hydrogen 2.915 N/A ARG 171.A NE GLU 168.A OE1 no hydrogen 2.859 N/A ARG 171.A NH2 GLU 168.A OE1 no hydrogen 3.565 N/A ARG 171.A NH2 GLU 168.A OE2 no hydrogen 2.746 N/A LEU 172.A N GLU 168.A O no hydrogen 2.923 N/A ALA 173.A N ALA 169.A O no hydrogen 2.970 N/A HIS 174.A N ARG 171.A O no hydrogen 3.116 N/A VAL 178.A N GLU 175.A O no hydrogen 3.277 N/A ALA 179.A N PRO 176.A O no hydrogen 2.957 N/A ALA 180.A N LEU 2.A O no hydrogen 2.907 N/A HIS 181.A N HIS 198.A O no hydrogen 2.898 N/A HIS 181.A ND1 THR 4.A OG1 no hydrogen 2.763 N/A HIS 181.A NE2 ASP 189.A OD1 no hydrogen 2.801 N/A VAL 182.A N THR 4.A O no hydrogen 2.810 N/A GLY 183.A N PHE 200.A O no hydrogen 3.294 N/A ASN 185.A N ASP 189.A OD2 no hydrogen 2.924 N/A CYS 188.A N ASN 185.A OD1 no hydrogen 2.856 N/A CYS 188.A SG LYS 160.A O no hydrogen 3.539 N/A CYS 188.A SG ASN 185.A OD1 no hydrogen 3.508 N/A ASP 189.A N ASN 185.A O no hydrogen 2.745 N/A TYR 190.A N ASN 185.A O no hydrogen 3.255 N/A TYR 190.A N TYR 186.A O no hydrogen 3.096 N/A TYR 190.A OH HIS 220.A ND1 no hydrogen 2.758 N/A GLN 191.A N TYR 186.A O no hydrogen 2.929 N/A GLY 192.A N LEU 187.A O no hydrogen 2.984 N/A ARG 194.A NE SER 199.A O no hydrogen 3.448 N/A ARG 194.A NE SER 199.A OG no hydrogen 2.852 N/A ARG 194.A NH2 SER 199.A O no hydrogen 2.809 N/A ALA 195.A N GLN 191.A O no hydrogen 3.066 N/A ALA 195.A N GLY 192.A O no hydrogen 3.290 N/A VAL 196.A N PRO 193.A O no hydrogen 3.084 N/A GLY 197.A N ARG 194.A O no hydrogen 3.115 N/A HIS 198.A N ALA 179.A O no hydrogen 2.941 N/A HIS 198.A NE2 VAL 177.A O no hydrogen 3.034 N/A SER 199.A OG TYR 190.A O no hydrogen 2.799 N/A PHE 200.A N HIS 181.A O no hydrogen 2.873 N/A LEU 201.A N HIS 220.A O no hydrogen 2.940 N/A VAL 202.A N GLY 183.A O no hydrogen 2.896 N/A VAL 203.A N LEU 222.A O no hydrogen 2.882 N/A ARG 213.A N ASP 209.A O no hydrogen 2.939 N/A ARG 213.A NE.A ASP 214.A OD1 no hydrogen 2.483 N/A ARG 213.A NE.B ASP 214.A OD1 no hydrogen 2.967 N/A ARG 213.A NH2.A ASP 214.A OD2 no hydrogen 2.737 N/A ASP 214.A N PRO 210.A O no hydrogen 2.829 N/A SER 215.A N VAL 212.A O no hydrogen 3.362 N/A SER 215.A OG VAL 211.A O no hydrogen 3.069 N/A VAL 216.A N VAL 212.A O no hydrogen 2.916 N/A GLU 219.A N GLU 219.A OE1 no hydrogen 2.701 N/A HIS 220.A N PRO 217.A O no hydrogen 2.875 N/A HIS 220.A ND1 TYR 190.A OH no hydrogen 2.758 N/A ILE 221.A N LYS 218.A O no hydrogen 3.171 N/A LEU 222.A N LEU 201.A O no hydrogen 2.751 N/A HIS 227.A N SER 224.A O no hydrogen 3.017 N/A LEU 228.A N LEU 225.A O no hydrogen 3.116 N/A ALA 231.A N HIS 227.A O no hydrogen 2.955 N/A LEU 232.A N LEU 228.A O no hydrogen 2.882 N/A ASP 233.A N LEU 229.A O no hydrogen 2.898 N/A CYS 234.A N PRO 230.A O no hydrogen 3.113 N/A CYS 234.A SG PRO 230.A O no hydrogen 3.756 N/A LEU 235.A N ALA 231.A O no hydrogen 3.088 N/A GLU 236.A N LEU 232.A O no hydrogen 2.870 N/A GLY 237.A N ASP 233.A O no hydrogen 2.802 N/A SER 238.A N LEU 235.A O no hydrogen 3.230 N/A SER 238.A OG LEU 235.A O no hydrogen 2.534 N/A