Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 6pfr_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): MET 4.A N ASP 2.A OD1 no hydrogen 2.593 N/A VAL 5.A N ASP 2.A OD1 no hydrogen 3.402 N/A SER 6.A N ASP 2.A O no hydrogen 2.874 N/A SER 6.A OG ASP 2.A O no hydrogen 3.489 N/A LYS 7.A N PRO 3.A O no hydrogen 3.038 N/A GLY 8.A N MET 4.A O no hydrogen 3.014 N/A GLU 9.A N VAL 5.A O no hydrogen 2.658 N/A GLU 10.A N SER 6.A O no hydrogen 2.776 N/A LEU 11.A N LYS 7.A O no hydrogen 3.341 N/A LEU 11.A N GLY 8.A O no hydrogen 3.136 N/A PHE 12.A N GLU 9.A O no hydrogen 2.821 N/A THR 13.A OG1 GLU 10.A O no hydrogen 3.287 N/A VAL 16.A N GLY 39.A O no hydrogen 2.922 N/A ILE 18.A N GLY 37.A O no hydrogen 2.886 N/A LEU 19.A N LEU 120.A O no hydrogen 2.917 N/A VAL 20.A N GLY 35.A O no hydrogen 2.850 N/A GLU 21.A N ASN 122.A O no hydrogen 2.840 N/A LEU 22.A N VAL 33.A O no hydrogen 2.877 N/A ASP 23.A N ILE 124.A O no hydrogen 3.032 N/A GLY 24.A N PHE 31.A O no hydrogen 2.746 N/A ASP 25.A N LEU 126.A O no hydrogen 3.001 N/A VAL 26.A N HIS 29.A O no hydrogen 2.996 N/A ASN 27.A N GLY 128.A O no hydrogen 2.883 N/A ASN 27.A ND2 PHE 131.A O no hydrogen 2.751 N/A ASN 27.A ND2 GLU 133.A OE2 no hydrogen 3.366 N/A GLY 28.A N ASP 25.A OD1 no hydrogen 2.927 N/A HIS 29.A N VAL 26.A O no hydrogen 2.742 N/A HIS 29.A NE2 GLU 133.A OE1 no hydrogen 2.975 N/A LYS 30.A NZ ASP 25.A OD2 no hydrogen 2.698 N/A PHE 31.A N GLY 24.A O no hydrogen 2.981 N/A SER 32.A N THR 54.A OG1 no hydrogen 3.104 N/A SER 32.A OG ASP 23.A OD2 no hydrogen 2.936 N/A VAL 33.A N LEU 22.A O no hydrogen 2.839 N/A SER 34.A N ILE 51.A O no hydrogen 2.935 N/A GLY 35.A N VAL 20.A O no hydrogen 2.816 N/A GLU 36.A N LYS 49.A O no hydrogen 3.010 N/A GLY 37.A N ILE 18.A O no hydrogen 3.216 N/A GLU 38.A N THR 47.A O no hydrogen 3.022 N/A GLY 39.A N VAL 16.A O no hydrogen 2.869 N/A ASP 40.A N LYS 45.A O no hydrogen 2.815 N/A TYR 43.A N ASP 40.A O no hydrogen 2.988 N/A GLY 44.A N ALA 41.A O no hydrogen 3.055 N/A LYS 45.A N ASP 40.A O no hydrogen 3.067 N/A LEU 46.A N GLU 223.A O no hydrogen 2.752 N/A THR 47.A N GLU 38.A O no hydrogen 3.055 N/A THR 47.A OG1 GLU 38.A O no hydrogen 3.317 N/A LEU 48.A N LEU 221.A O no hydrogen 2.955 N/A LYS 49.A N GLU 36.A O no hydrogen 2.940 N/A LYS 49.A NZ ASP 211.A OD2 no hydrogen 2.890 N/A LYS 49.A NZ GLU 214.A OE1 no hydrogen 2.781 N/A PHE 50.A N MET 219.A O no hydrogen 2.769 N/A ILE 51.A N SER 34.A O no hydrogen 2.818 N/A CYS 52.A N ASP 217.A O no hydrogen 2.822 N/A CYS 52.A SG SER 32.A O no hydrogen 3.598 N/A CYS 52.A SG THR 54.A OG1 no hydrogen 3.384 N/A CYS 52.A SG GLY 55.A O no hydrogen 3.224 N/A THR 53.A N SER 32.A O no hydrogen 3.040 N/A THR 53.A OG1 SER 32.A O no hydrogen 3.475 N/A LEU 57.A N ASP 217.A OD2 no hydrogen 2.810 N/A TRP 61.A NE1 ASP 217.A OD1 no hydrogen 2.887 N/A THR 63.A N PRO 60.A O no hydrogen 2.964 N/A THR 63.A OG1 PRO 60.A O no hydrogen 2.734 N/A THR 63.A OG1 TYR 107.A OH no hydrogen 2.823 N/A LEU 64.A N TRP 61.A O no hydrogen 2.927 N/A VAL 65.A N PRO 62.A O no hydrogen 3.334 N/A THR 66.A OG1 HIS 182.A NE2 no hydrogen 2.748 N/A LEU 68.A N LEU 64.A O no hydrogen 2.892 N/A PHE 72.A N VAL 69.A O no hydrogen 3.081 N/A SER 73.A N LEU 70.A O no hydrogen 3.085 N/A SER 73.A OG LEU 70.A O no hydrogen 2.765 N/A ARG 74.A N VAL 225.A O no hydrogen 2.851 N/A TYR 75.A OH HIS 200.A NE2 no hydrogen 2.704 N/A MET 79.A N PRO 76.A O no hydrogen 2.741 N/A LYS 80.A N ASP 77.A O no hydrogen 3.211 N/A LYS 80.A NZ GLU 9.A OE2 no hydrogen 2.963 N/A LYS 80.A NZ TYR 75.A O no hydrogen 2.780 N/A HIS 82.A N MET 79.A O no hydrogen 2.656 N/A ASP 83.A N LYS 80.A O no hydrogen 3.298 N/A PHE 84.A N HIS 82.A O no hydrogen 3.222 N/A LYS 86.A N ASP 83.A OD1 no hydrogen 3.195 N/A LYS 86.A NZ CYS 71.A O no hydrogen 2.846 N/A LYS 86.A NZ SER 73.A O no hydrogen 2.808 N/A LYS 86.A NZ ASP 83.A OD2 no hydrogen 2.714 N/A SER 87.A N ASP 83.A O no hydrogen 3.289 N/A SER 87.A OG ASP 83.A O no hydrogen 3.503 N/A SER 87.A OG PHE 84.A O no hydrogen 2.771 N/A ALA 88.A N PHE 84.A O no hydrogen 3.140 N/A MET 89.A N LYS 86.A O no hydrogen 3.019 N/A GLU 91.A N GLU 91.A OE1 no hydrogen 2.699 N/A GLY 92.A N ALA 88.A O no hydrogen 2.853 N/A TYR 93.A N VAL 113.A O no hydrogen 2.923 N/A VAL 94.A N THR 187.A O no hydrogen 2.746 N/A GLN 95.A N ALA 111.A O no hydrogen 2.902 N/A GLU 96.A N GLN 185.A O no hydrogen 2.925 N/A ARG 97.A N THR 109.A O no hydrogen 3.041 N/A ARG 97.A NE GLN 184.A OE1 no hydrogen 2.832 N/A ARG 97.A NH1 THR 66.A O no hydrogen 2.711 N/A ARG 97.A NH2 GLN 184.A OE1 no hydrogen 2.954 N/A THR 98.A N TYR 183.A O no hydrogen 2.905 N/A ILE 99.A N TYR 107.A O no hydrogen 2.818 N/A PHE 100.A N ASP 181.A O no hydrogen 2.895 N/A PHE 101.A N GLY 105.A O no hydrogen 2.942 N/A LYS 102.A N LEU 179.A O no hydrogen 2.972 N/A ASP 104.A N PHE 101.A O no hydrogen 2.850 N/A GLY 105.A N ASP 104.A OD1 no hydrogen 2.853 N/A ASN 106.A N ILE 129.A O no hydrogen 3.122 N/A TYR 107.A N ILE 99.A O no hydrogen 2.875 N/A TYR 107.A OH THR 63.A OG1 no hydrogen 2.823 N/A LYS 108.A N LYS 127.A O no hydrogen 2.658 N/A LYS 108.A NZ THR 109.A O no hydrogen 2.885 N/A THR 109.A N ARG 97.A O no hydrogen 2.848 N/A ARG 110.A N GLU 125.A O no hydrogen 2.903 N/A ARG 110.A NH2 GLU 112.A OE2 no hydrogen 3.219 N/A ALA 111.A N GLN 95.A O no hydrogen 2.800 N/A GLU 112.A N ARG 123.A O no hydrogen 2.869 N/A VAL 113.A N TYR 93.A O no hydrogen 2.931 N/A LYS 114.A N VAL 121.A O no hydrogen 3.033 N/A LYS 114.A NZ GLU 112.A OE1 no hydrogen 3.280 N/A PHE 115.A N PRO 90.A O no hydrogen 3.266 N/A GLU 116.A N THR 119.A O no hydrogen 2.822 N/A THR 119.A N GLU 116.A O no hydrogen 3.109 N/A LEU 120.A N PRO 17.A O no hydrogen 2.916 N/A VAL 121.A N LYS 114.A O no hydrogen 2.803 N/A ASN 122.A N LEU 19.A O no hydrogen 2.828 N/A ASN 122.A ND2 THR 67.A O no hydrogen 3.530 N/A ASN 122.A ND2 LEU 68.A O no hydrogen 3.027 N/A ARG 123.A N GLU 112.A O no hydrogen 2.969 N/A ARG 123.A NH1 GLU 112.A OE1 no hydrogen 3.072 N/A ILE 124.A N GLU 21.A O no hydrogen 2.668 N/A GLU 125.A N ARG 110.A O no hydrogen 2.833 N/A LEU 126.A N ASP 23.A O no hydrogen 2.927 N/A LYS 127.A N LYS 108.A O no hydrogen 2.832 N/A GLY 128.A N ASP 25.A O no hydrogen 2.685 N/A ILE 129.A N ASN 106.A O no hydrogen 3.104 N/A PHE 131.A N ASN 27.A OD1 no hydrogen 3.029 N/A LYS 132.A N ASP 104.A OD1 no hydrogen 2.780 N/A LYS 132.A NZ ASP 103.A O no hydrogen 2.934 N/A GLY 135.A N LYS 132.A O no hydrogen 2.919 N/A ASN 136.A ND2 GLN 178.A OE1 no hydrogen 2.796 N/A GLY 139.A N GLY 135.A O no hydrogen 2.809 N/A HIS 140.A N ILE 137.A O no hydrogen 3.032 N/A LYS 141.A N ASN 136.A O no hydrogen 3.031 N/A LYS 141.A NZ ASP 134.A O no hydrogen 2.997 N/A GLU 143.A N ASN 171.A O no hydrogen 2.779 N/A TYR 144.A OH SER 209.A O no hydrogen 2.737 N/A TYR 146.A N ASN 145.A OD1.B no hydrogen 2.592 N/A HIS 149.A N THR 204.A O no hydrogen 3.243 N/A HIS 149.A N THR 204.A OG1 no hydrogen 3.187 N/A VAL 151.A N LEU 202.A O no hydrogen 2.952 N/A ILE 153.A N HIS 200.A O no hydrogen 2.687 N/A MET 154.A N LYS 163.A O no hydrogen 3.010 N/A ASP 156.A N GLY 161.A O no hydrogen 2.772 N/A LYS 159.A N ASP 156.A O no hydrogen 2.841 N/A ASN 160.A N LYS 157.A O no hydrogen 3.146 N/A GLY 161.A N ASP 156.A O no hydrogen 3.351 N/A ILE 162.A N ASN 186.A O no hydrogen 3.026 N/A LYS 163.A N MET 154.A O no hydrogen 2.887 N/A SER 164.A N GLN 184.A O no hydrogen 2.955 N/A SER 164.A OG TYR 152.A O no hydrogen 2.715 N/A PHE 166.A N HIS 182.A O no hydrogen 3.003 N/A ILE 168.A N ALA 180.A O no hydrogen 2.989 N/A HIS 170.A N GLN 178.A O no hydrogen 2.879 N/A ASN 171.A ND2 GLU 143.A OE1 no hydrogen 3.090 N/A ILE 172.A N SER 176.A O no hydrogen 2.903 N/A GLU 173.A N LYS 141.A O no hydrogen 2.863 N/A GLY 175.A N ILE 172.A O no hydrogen 2.802 N/A GLN 178.A N HIS 170.A O no hydrogen 2.709 N/A GLN 178.A NE2 LYS 102.A O no hydrogen 2.954 N/A GLN 178.A NE2 LEU 179.A O no hydrogen 3.048 N/A ALA 180.A N ILE 168.A O no hydrogen 2.690 N/A ASP 181.A N PHE 100.A O no hydrogen 2.820 N/A HIS 182.A N PHE 166.A O no hydrogen 2.786 N/A HIS 182.A ND1 ALA 180.A O no hydrogen 2.989 N/A HIS 182.A NE2 THR 66.A OG1 no hydrogen 2.748 N/A TYR 183.A N THR 98.A O no hydrogen 2.846 N/A TYR 183.A OH ASP 181.A OD2 no hydrogen 3.337 N/A GLN 184.A N SER 164.A O no hydrogen 2.674 N/A GLN 184.A NE2 ASN 186.A OD1 no hydrogen 2.925 N/A GLN 185.A N GLU 96.A O no hydrogen 2.916 N/A GLN 185.A NE2 GLU 96.A OE1 no hydrogen 2.916 N/A ASN 186.A N ILE 162.A O no hydrogen 2.891 N/A ASN 186.A ND2 GLN 95.A OE1 no hydrogen 2.816 N/A THR 187.A N VAL 94.A O no hydrogen 3.015 N/A ILE 189.A N GLY 92.A O no hydrogen 2.995 N/A LEU 195.A N SER 87.A OG no hydrogen 2.887 N/A ASP 198.A N HIS 82.A ND1 no hydrogen 2.965 N/A ASN 199.A ND2 TYR 152.A OH.B no hydrogen 3.040 N/A HIS 200.A N ILE 153.A O no hydrogen 3.088 N/A HIS 200.A ND1 ASP 198.A O no hydrogen 2.835 N/A HIS 200.A NE2 TYR 75.A OH no hydrogen 2.704 N/A TYR 201.A N ALA 228.A O no hydrogen 2.790 N/A LEU 202.A N VAL 151.A O no hydrogen 2.821 N/A SER 203.A N THR 226.A O no hydrogen 2.766 N/A SER 203.A OG ASN 150.A OD1 no hydrogen 3.466 N/A THR 204.A N HIS 149.A O no hydrogen 2.850 N/A THR 204.A OG1 HIS 149.A O no hydrogen 3.387 N/A GLN 205.A N PHE 224.A O no hydrogen 2.945 N/A SER 206.A OG GLU 223.A OE1 no hydrogen 2.814 N/A LYS 207.A N LEU 222.A O no hydrogen 2.824 N/A SER 209.A N VAL 220.A O no hydrogen 2.909 N/A LYS 210.A NZ HIS 218.A O no hydrogen 2.704 N/A ASP 211.A N HIS 218.A NE2 no hydrogen 2.874 N/A ASN 213.A N ASP 211.A OD1 no hydrogen 2.958 N/A GLU 214.A N ASP 211.A O no hydrogen 3.089 N/A ARG 216.A N GLU 214.A OE2 no hydrogen 2.910 N/A ARG 216.A NE GLU 214.A OE2 no hydrogen 2.635 N/A ARG 216.A NH1 GLU 214.A OE1 no hydrogen 2.909 N/A ARG 216.A NH1 GLU 214.A OE2 no hydrogen 3.466 N/A HIS 218.A ND1 ARG 216.A O no hydrogen 2.635 N/A MET 219.A N PHE 50.A O no hydrogen 2.898 N/A VAL 220.A N SER 209.A O no hydrogen 3.026 N/A LEU 221.A N LEU 48.A O no hydrogen 2.745 N/A LEU 222.A N LYS 207.A O no hydrogen 2.980 N/A GLU 223.A N LEU 46.A O no hydrogen 3.013 N/A PHE 224.A N GLN 205.A O no hydrogen 2.864 N/A VAL 225.A N GLY 44.A O no hydrogen 2.946 N/A THR 226.A N SER 203.A O no hydrogen 2.967 N/A ALA 227.A N ARG 74.A O no hydrogen 2.837 N/A ALA 228.A N TYR 201.A O no hydrogen 2.886 N/A THR 231.A OG1 THR 231.A O no hydrogen 2.602 N/A THR 231.A OG1 ASP 235.A OD1 no hydrogen 2.537 N/A ASP 235.A N THR 231.A O no hydrogen 2.810 N/A GLU 236.A N LEU 232.A O no hydrogen 3.260 N/A LEU 237.A N MET 234.A O no hydrogen 3.014 N/A TYR 238.A N ASP 235.A O no hydrogen 3.193 N/A LYS 239.A N GLU 236.A O no hydrogen 3.080 N/A LYS 239.A NZ GLU 236.A O no hydrogen 2.999 N/A