Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3pet_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ILE 2.A N LYS 71.A O no hydrogen 2.808 N/A SER 5.A N ASN 48.A OD1 no hydrogen 2.900 N/A SER 5.A OG ASP 47.A OD1 no hydrogen 2.441 N/A ILE 9.A N GLY 45.A O no hydrogen 2.948 N/A ARG 11.A N ILE 43.A O no hydrogen 2.802 N/A ARG 11.A NH1.B ASP 12.A O no hydrogen 3.416 N/A TYR 13.A N LEU 41.A O no hydrogen 2.857 N/A VAL 15.A N TYR 13.A O no hydrogen 2.950 N/A ASN 19.A N ASN 60.A O no hydrogen 2.958 N/A ASN 19.A ND2 ASN 87.A OD1 no hydrogen 2.949 N/A LYS 20.A NZ ASN 19.A OD1 no hydrogen 3.165 N/A ILE 21.A N GLY 88.A O no hydrogen 2.980 N/A ASP 22.A N LEU 62.A O no hydrogen 2.797 N/A ALA 23.A N SER 90.A O no hydrogen 2.980 N/A GLY 24.A N LEU 64.A O no hydrogen 2.920 N/A GLY 27.A N VAL 94.A O no hydrogen 2.804 N/A ILE 29.A N ASP 96.A O no hydrogen 2.819 N/A TYR 30.A N ILE 79.A O no hydrogen 2.850 N/A TYR 31.A N HIS 98.A O no hydrogen 2.793 N/A TYR 31.A OH SER 83.A OG no hydrogen 2.829 N/A THR 32.A N ILE 81.A O no hydrogen 2.875 N/A GLN 33.A NE2 PRO 84.A O no hydrogen 2.967 N/A GLN 33.A NE2 THR 104.A O no hydrogen 2.987 N/A SER 34.A N SER 83.A O no hydrogen 2.919 N/A SER 34.A OG.A LYS 38.A O no hydrogen 2.798 N/A SER 34.A OG.B LYS 38.A O no hydrogen 3.330 N/A ASP 36.A N SER 34.A OG.B no hydrogen 3.272 N/A LYS 38.A N SER 34.A OG.B no hydrogen 3.050 N/A LYS 38.A N ASP 36.A OD1 no hydrogen 3.364 N/A ASP 40.A N THR 82.A O no hydrogen 2.836 N/A GLN 42.A N THR 80.A O no hydrogen 2.880 N/A ILE 43.A N ARG 11.A O no hydrogen 2.936 N/A TYR 44.A N LYS 78.A O no hydrogen 2.802 N/A GLY 45.A N ILE 9.A O no hydrogen 3.004 N/A ASP 47.A N LYS 7.A O no hydrogen 3.013 N/A ASN 48.A ND2 GLN 3.A O no hydrogen 2.690 N/A ILE 49.A N PRO 46.A O no hydrogen 3.008 N/A VAL 50.A N PRO 46.A O no hydrogen 2.936 N/A ALA 51.A N ASP 47.A O no hydrogen 3.141 N/A LEU 52.A N ILE 49.A O no hydrogen 2.983 N/A ILE 53.A N VAL 50.A O no hydrogen 3.125 N/A GLN 54.A N SER 65.A O no hydrogen 2.728 N/A ALA 56.A N PHE 63.A O no hydrogen 3.113 N/A LYS 58.A N THR 61.A O no hydrogen 2.972 N/A THR 61.A N LYS 58.A O no hydrogen 2.942 N/A THR 61.A OG1 ASP 59.A O no hydrogen 3.061 N/A THR 61.A OG1 ASP 59.A OD1.A no hydrogen 3.394 N/A LEU 62.A N LYS 20.A O no hydrogen 2.819 N/A PHE 63.A N ALA 56.A O no hydrogen 2.736 N/A LEU 64.A N ASP 22.A O no hydrogen 2.923 N/A SER 65.A N GLN 54.A O no hydrogen 2.937 N/A SER 65.A OG GLN 54.A OE1 no hydrogen 3.128 N/A SER 69.A N ASP 67.A OD1 no hydrogen 3.085 N/A LYS 70.A N ASP 67.A O no hydrogen 3.115 N/A ARG 73.A N ILE 2.A O no hydrogen 2.943 N/A LYS 76.A N ASN 74.A OD1 no hydrogen 3.123 N/A ILE 79.A N ASN 28.A O no hydrogen 2.879 N/A THR 80.A N GLN 42.A O no hydrogen 2.794 N/A ILE 81.A N TYR 30.A O no hydrogen 2.895 N/A THR 82.A N ASP 40.A O no hydrogen 2.953 N/A THR 82.A OG1 THR 32.A O no hydrogen 2.851 N/A SER 83.A N THR 32.A O no hydrogen 3.416 N/A SER 83.A OG TYR 31.A OH no hydrogen 2.829 N/A SER 83.A OG THR 85.A O no hydrogen 2.703 N/A ASN 87.A N ASN 19.A O no hydrogen 2.706 N/A ASN 87.A ND2 ASN 107.A O no hydrogen 2.902 N/A ILE 89.A N ASP 109.A O no hydrogen 2.846 N/A SER 90.A N ILE 21.A O no hydrogen 2.801 N/A PHE 91.A N GLU 111.A O no hydrogen 2.825 N/A LYS 92.A N ALA 23.A O no hydrogen 2.748 N/A LYS 92.A NZ ASP 22.A OD2 no hydrogen 3.130 N/A LYS 92.A NZ SER 90.A OG no hydrogen 3.269 N/A VAL 94.A N THR 25.A O no hydrogen 3.005 N/A GLY 95.A N VAL 115.A O no hydrogen 2.889 N/A ASP 96.A N ASN 28.A OD1 no hydrogen 2.800 N/A VAL 97.A N ASN 117.A O no hydrogen 2.812 N/A HIS 98.A N ILE 29.A O no hydrogen 2.778 N/A ILE 99.A N ASP 119.A O no hydrogen 3.014 N/A LEU 103.A N SER 122.A O no hydrogen 3.181 N/A THR 104.A N GLN 33.A OE1 no hydrogen 2.861 N/A THR 105.A N THR 124.A O no hydrogen 3.022 N/A THR 105.A OG1 LEU 86.A O no hydrogen 2.821 N/A THR 105.A OG1 ASN 107.A O no hydrogen 3.492 N/A ASN 107.A N ASP 106.A OD1 no hydrogen 2.756 N/A LEU 108.A N LYS 127.A O no hydrogen 2.924 N/A ASP 109.A N ASN 87.A O no hydrogen 2.838 N/A ILE 110.A N ASN 129.A O no hydrogen 2.800 N/A GLU 111.A N ILE 89.A O no hydrogen 2.818 N/A SER 112.A N GLN 131.A O no hydrogen 3.091 N/A LYS 113.A N PHE 91.A O no hydrogen 2.729 N/A VAL 115.A N GLY 93.A O no hydrogen 2.913 N/A GLY 116.A N VAL 134.A O no hydrogen 2.883 N/A ASN 117.A N ASP 96.A OD1 no hydrogen 2.834 N/A VAL 118.A N ASP 136.A O no hydrogen 2.837 N/A ASP 119.A N VAL 97.A O no hydrogen 2.822 N/A ILE 120.A N LYS 138.A O no hydrogen 2.835 N/A GLN 121.A N ILE 99.A O no hydrogen 2.881 N/A GLN 121.A NE2.B ASP 119.A OD1 no hydrogen 3.365 N/A GLN 121.A NE2.B ILE 120.A O no hydrogen 3.661 N/A SER 122.A N GLU 140.A OE1 no hydrogen 2.771 N/A LEU 123.A N GLU 140.A O no hydrogen 2.930 N/A THR 124.A N LEU 103.A O no hydrogen 2.839 N/A CYS 125.A N THR 142.A O no hydrogen 3.167 N/A CYS 125.A SG THR 142.A O no hydrogen 3.778 N/A GLN 126.A N ASP 106.A O no hydrogen 2.758 N/A LYS 127.A N ASP 106.A O no hydrogen 3.011 N/A LEU 128.A N ILE 145.A O no hydrogen 2.857 N/A ASN 129.A N LEU 108.A O no hydrogen 2.908 N/A ASN 129.A ND2 ASP 109.A OD1 no hydrogen 2.982 N/A VAL 130.A N ALA 147.A O no hydrogen 2.792 N/A GLN 131.A N ILE 110.A O no hydrogen 2.820 N/A SER 132.A N HIS 149.A O no hydrogen 2.914 N/A VAL 134.A N GLY 114.A O no hydrogen 2.914 N/A GLY 135.A N VAL 153.A O no hydrogen 2.901 N/A ASP 136.A N ASN 117.A OD1 no hydrogen 2.870 N/A VAL 137.A N ASN 155.A O no hydrogen 2.874 N/A LYS 138.A N VAL 118.A O no hydrogen 2.649 N/A LEU 139.A N GLU 157.A O no hydrogen 2.955 N/A GLU 140.A N ILE 120.A O no hydrogen 2.984 N/A GLY 141.A N ASN 160.A O no hydrogen 3.003 N/A THR 142.A N LEU 123.A O no hydrogen 2.790 N/A ALA 143.A N ARG 162.A O no hydrogen 3.007 N/A GLN 144.A N GLN 126.A O no hydrogen 2.879 N/A ILE 145.A N GLN 126.A O no hydrogen 2.941 N/A ALA 146.A N ALA 165.A O no hydrogen 2.899 N/A ALA 147.A N LEU 128.A O no hydrogen 2.784 N/A LEU 148.A N GLU 167.A O no hydrogen 2.708 N/A HIS 149.A N VAL 130.A O no hydrogen 2.860 N/A HIS 149.A ND1 SER 169.A OG.B no hydrogen 2.657 N/A SER 150.A N SER 169.A O no hydrogen 2.935 N/A SER 150.A OG SER 169.A O no hydrogen 3.526 N/A LYS 151.A N SER 132.A O no hydrogen 2.696 N/A LYS 151.A NZ GLN 131.A OE1 no hydrogen 2.900 N/A VAL 153.A N GLY 133.A O no hydrogen 2.949 N/A GLY 154.A N VAL 173.A O no hydrogen 2.923 N/A ASN 155.A N ASP 136.A OD1 no hydrogen 2.824 N/A ILE 156.A N ASP 175.A O no hydrogen 2.949 N/A GLU 157.A N VAL 137.A O no hydrogen 2.727 N/A ALA 158.A N THR 177.A O no hydrogen 2.841 N/A LEU 161.A N ALA 158.A O no hydrogen 3.158 N/A ARG 162.A N GLY 141.A O no hydrogen 2.866 N/A ARG 162.A NH2 GLU 140.A OE2 no hydrogen 2.687 N/A ARG 162.A NH2 ASN 160.A O no hydrogen 3.108 N/A ALA 163.A N ASN 179.A O no hydrogen 3.077 N/A ASN 164.A N ALA 143.A O no hydrogen 3.324 N/A ASN 164.A N GLN 144.A O no hydrogen 3.178 N/A ASN 164.A ND2 GLN 144.A OE1 no hydrogen 2.665 N/A ALA 165.A N GLN 144.A O no hydrogen 3.019 N/A VAL 166.A N SER 183.A O no hydrogen 2.969 N/A GLU 167.A N ALA 146.A O no hydrogen 2.877 N/A ALA 168.A N ASP 185.A O no hydrogen 2.731 N/A SER 169.A N LEU 148.A O no hydrogen 2.905 N/A SER 169.A OG.B HIS 149.A ND1 no hydrogen 2.657 N/A SER 170.A N ALA 187.A O no hydrogen 3.041 N/A GLN 171.A N SER 150.A O no hydrogen 2.840 N/A VAL 173.A N GLY 152.A O no hydrogen 2.941 N/A GLY 174.A N VAL 191.A O no hydrogen 2.876 N/A ASP 175.A N ASN 155.A OD1 no hydrogen 2.817 N/A ILE 176.A N SER 193.A O no hydrogen 2.883 N/A THR 177.A N ILE 156.A O no hydrogen 2.908 N/A CYS 178.A N LYS 195.A O no hydrogen 2.798 N/A CYS 178.A SG LYS 195.A O no hydrogen 3.708 N/A ASN 179.A ND2 GLY 159.A O no hydrogen 3.041 N/A ALA 180.A N LYS 197.A O no hydrogen 3.070 N/A THR 181.A N ALA 163.A O no hydrogen 2.917 N/A THR 181.A OG1 ASN 164.A OD1 no hydrogen 2.687 N/A GLU 182.A N ASN 164.A O no hydrogen 2.850 N/A SER 183.A N ASN 164.A O no hydrogen 3.042 N/A SER 183.A OG.A ILE 202.A O no hydrogen 3.458 N/A ILE 184.A N ILE 202.A O no hydrogen 3.001 N/A ASP 185.A N VAL 166.A O no hydrogen 2.901 N/A ALA 186.A N SER 204.A O no hydrogen 2.801 N/A ALA 187.A N ALA 168.A O no hydrogen 2.847 N/A VAL 188.A N SER 206.A O no hydrogen 2.813 N/A ARG 189.A N SER 170.A O no hydrogen 2.697 N/A ARG 189.A NH1 VAL 188.A O no hydrogen 3.491 N/A ARG 189.A NH1 SER 206.A OG no hydrogen 2.715 N/A ARG 189.A NH2 SER 206.A OG no hydrogen 3.120 N/A VAL 191.A N GLY 172.A O no hydrogen 2.994 N/A GLY 192.A N VAL 210.A O no hydrogen 2.794 N/A SER 193.A N ASP 175.A OD1 no hydrogen 2.867 N/A ILE 194.A N THR 212.A O no hydrogen 2.896 N/A LYS 195.A N ILE 176.A O no hydrogen 2.810 N/A TYR 196.A N LYS 214.A O no hydrogen 2.943 N/A LYS 197.A N CYS 178.A O no hydrogen 2.895 N/A LYS 197.A NZ GLY 159.A O no hydrogen 3.435 N/A LYS 197.A NZ ASN 160.A OD1 no hydrogen 3.344 N/A ILE 202.A N GLU 182.A O no hydrogen 3.262 N/A LYS 203.A NZ TYR 196.A OH no hydrogen 3.281 N/A SER 204.A N ILE 184.A O no hydrogen 2.856 N/A SER 206.A N ALA 186.A O no hydrogen 2.964 N/A LYS 208.A N VAL 188.A O no hydrogen 2.750 N/A VAL 210.A N GLY 190.A O no hydrogen 2.768 N/A THR 212.A N SER 193.A OG no hydrogen 3.109 N/A LYS 214.A N ILE 194.A O no hydrogen 2.957 N/A ASN 215.A ND2 TYR 196.A O no hydrogen 2.874 N/A ASN 215.A ND2 GLY 198.A O no hydrogen 2.843 N/A ILE 216.A N TYR 196.A O no hydrogen 2.833 N/A