Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 1qnn_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): MET 1.A N GLU 49.A O no hydrogen 3.549 N/A HIS 3.A N ASN 40.A OD1 no hydrogen 2.754 N/A TYR 10.A OH PHE 78.A O no hydrogen 2.637 N/A ALA 14.A N ALA 11.A O no hydrogen 2.997 N/A ALA 16.A N ASP 13.A O no hydrogen 3.348 N/A ILE 19.A N LEU 15.A O no hydrogen 3.103 N/A SER 20.A OG THR 23.A OG1 no hydrogen 3.246 N/A LYS 21.A NZ GLU 25.A OE1 no hydrogen 3.047 N/A LYS 21.A NZ GLU 25.A OE2 no hydrogen 3.525 N/A THR 23.A N SER 20.A OG no hydrogen 2.978 N/A THR 23.A OG1 SER 20.A OG no hydrogen 3.246 N/A VAL 24.A N SER 20.A O no hydrogen 2.924 N/A GLU 25.A N LYS 21.A O no hydrogen 3.059 N/A PHE 26.A N GLU 22.A O no hydrogen 3.064 N/A HIS 27.A N THR 23.A O no hydrogen 2.638 N/A HIS 27.A NE2 HIS 74.A NE2 no hydrogen 2.866 N/A HIS 28.A N VAL 24.A O no hydrogen 2.770 N/A HIS 28.A NE2 ILE 6.A O no hydrogen 2.681 N/A LYS 30.A N PHE 26.A O no hydrogen 2.934 N/A HIS 31.A N PHE 26.A O no hydrogen 2.875 N/A LEU 32.A N HIS 27.A O no hydrogen 2.963 N/A LYS 33.A N HIS 28.A O no hydrogen 3.330 N/A LYS 33.A NZ ASP 37.A OD2 no hydrogen 2.691 N/A THR 34.A N LYS 30.A O no hydrogen 3.070 N/A THR 34.A OG1 LYS 30.A O no hydrogen 2.782 N/A TYR 35.A N HIS 31.A O no hydrogen 3.079 N/A VAL 36.A N LEU 32.A O no hydrogen 2.969 N/A ASP 37.A N LYS 33.A O no hydrogen 3.047 N/A ASN 38.A N THR 34.A O no hydrogen 2.917 N/A ASN 38.A ND2 ASN 67.A OD1 no hydrogen 3.284 N/A LEU 39.A N TYR 35.A O no hydrogen 2.981 N/A ASN 40.A N VAL 36.A O no hydrogen 2.991 N/A ASN 40.A ND2 HIS 3.A O no hydrogen 2.905 N/A LYS 41.A N ASP 37.A O no hydrogen 3.107 N/A LEU 42.A N ASN 38.A O no hydrogen 2.862 N/A ILE 43.A N LEU 39.A O no hydrogen 3.086 N/A GLY 45.A N GLU 49.A OE1 no hydrogen 2.795 N/A THR 46.A N ILE 43.A O no hydrogen 3.198 N/A THR 46.A OG1 ILE 43.A O no hydrogen 2.801 N/A PHE 48.A N THR 46.A OG1 no hydrogen 3.042 N/A GLU 49.A N THR 46.A O no hydrogen 3.238 N/A ALA 51.A N PHE 48.A O no hydrogen 3.269 N/A THR 55.A N ASP 52.A OD1 no hydrogen 3.047 N/A THR 55.A OG1 ASP 52.A OD1 no hydrogen 3.496 N/A THR 55.A OG1 ASP 52.A OD2 no hydrogen 3.061 N/A ILE 56.A N ASP 52.A O no hydrogen 3.269 N/A VAL 57.A N LEU 53.A O no hydrogen 3.061 N/A GLN 58.A N ASN 54.A O no hydrogen 3.049 N/A LYS 59.A N THR 55.A O no hydrogen 3.030 N/A LYS 59.A N ILE 56.A O no hydrogen 3.229 N/A SER 60.A N ILE 56.A O no hydrogen 2.779 N/A SER 60.A OG ILE 56.A O no hydrogen 2.584 N/A PHE 65.A N GLU 61.A O no hydrogen 3.425 N/A ASN 66.A N GLY 62.A O no hydrogen 2.934 N/A ASN 67.A N GLY 63.A O no hydrogen 3.175 N/A ASN 67.A ND2 GLY 63.A O no hydrogen 2.760 N/A ALA 68.A N ILE 64.A O no hydrogen 2.939 N/A GLY 69.A N PHE 65.A O no hydrogen 2.674 N/A GLN 70.A N ASN 66.A O no hydrogen 3.098 N/A GLN 70.A NE2 TYR 35.A OH no hydrogen 3.104 N/A THR 71.A N ASN 67.A O no hydrogen 2.928 N/A THR 71.A OG1 ASN 67.A O no hydrogen 2.719 N/A LEU 72.A N ALA 68.A O no hydrogen 2.952 N/A ASN 73.A N GLY 69.A O no hydrogen 2.828 N/A ASN 73.A ND2 GLN 70.A OE1 no hydrogen 3.542 N/A ASN 73.A ND2 ALA 142.A O no hydrogen 3.099 N/A ASN 73.A ND2 GLY 143.A O no hydrogen 3.023 N/A HIS 74.A N GLN 70.A O no hydrogen 3.005 N/A HIS 74.A ND1 GLN 70.A O no hydrogen 2.665 N/A HIS 74.A NE2 HIS 27.A NE2 no hydrogen 2.866 N/A ASN 75.A N THR 71.A O no hydrogen 2.987 N/A LEU 76.A N LEU 72.A O no hydrogen 3.059 N/A TYR 77.A N ASN 73.A O no hydrogen 2.844 N/A PHE 78.A N HIS 74.A O no hydrogen 2.821 N/A THR 79.A OG1 ASN 75.A O no hydrogen 2.861 N/A THR 79.A OG1 LEU 76.A O no hydrogen 3.536 N/A GLN 80.A N TYR 77.A O no hydrogen 3.381 N/A GLN 80.A NE2 GLY 155.A O no hydrogen 2.643 N/A ARG 82.A N ILE 181.A O no hydrogen 3.029 N/A ARG 82.A NH1 THR 79.A O no hydrogen 2.980 N/A ARG 82.A NH1 PHE 81.A O no hydrogen 2.766 N/A LYS 85.A NZ ASP 183.A OD1 no hydrogen 3.151 N/A LYS 85.A NZ ASP 183.A OD2 no hydrogen 3.155 N/A GLY 86.A N VAL 182.A O no hydrogen 2.873 N/A LYS 90.A N GLU 188.A OE2 no hydrogen 2.587 N/A LYS 92.A NZ TYR 191.A O no hydrogen 3.491 N/A GLY 94.A N LYS 90.A O no hydrogen 3.017 N/A GLU 95.A N GLY 91.A O no hydrogen 2.897 N/A ALA 96.A N LYS 92.A O no hydrogen 3.106 N/A ILE 97.A N LEU 93.A O no hydrogen 2.973 N/A ASP 98.A N GLY 94.A O no hydrogen 3.416 N/A LYS 99.A N GLU 95.A O no hydrogen 2.988 N/A GLN 100.A N ALA 96.A O no hydrogen 2.905 N/A GLN 100.A NE2 LEU 134.A O no hydrogen 2.986 N/A PHE 101.A N ILE 97.A O no hydrogen 2.783 N/A GLY 102.A N ASP 98.A O no hydrogen 2.595 N/A LYS 106.A N SER 103.A OG no hydrogen 3.209 N/A PHE 107.A N SER 103.A O no hydrogen 3.030 N/A LYS 108.A N PHE 104.A O no hydrogen 2.885 N/A LYS 108.A NZ GLU 105.A OE2.A no hydrogen 3.007 N/A GLU 109.A N GLU 105.A O no hydrogen 3.224 N/A GLU 110.A N LYS 106.A O no hydrogen 3.234 N/A PHE 111.A N PHE 107.A O no hydrogen 2.888 N/A ASN 112.A N LYS 108.A O no hydrogen 2.758 N/A THR 113.A N GLU 109.A O no hydrogen 2.888 N/A THR 113.A OG1 GLU 109.A O no hydrogen 2.772 N/A ALA 114.A N GLU 110.A O no hydrogen 2.990 N/A GLY 115.A N PHE 111.A O no hydrogen 2.950 N/A THR 116.A N ASN 112.A O no hydrogen 2.832 N/A THR 116.A OG1 ASN 112.A O no hydrogen 2.917 N/A THR 117.A N THR 113.A O no hydrogen 2.908 N/A THR 117.A OG1 THR 113.A O no hydrogen 2.730 N/A THR 117.A OG1 ALA 114.A O no hydrogen 3.538 N/A TRP 123.A N GLU 139.A O no hydrogen 2.672 N/A TRP 123.A NE1 GLN 70.A OE1 no hydrogen 2.864 N/A VAL 124.A N PHE 156.A O no hydrogen 3.105 N/A TRP 125.A N GLU 137.A O no hydrogen 2.761 N/A LEU 126.A N LEU 154.A O no hydrogen 2.700 N/A ALA 127.A N SER 135.A O no hydrogen 2.961 N/A SER 128.A N ASN 151.A O no hydrogen 3.006 N/A ASP 129.A N LYS 133.A O no hydrogen 3.048 N/A ASN 131.A N ASP 129.A OD1 no hydrogen 2.993 N/A GLY 132.A N ASP 129.A O no hydrogen 2.873 N/A LYS 133.A N ASP 129.A OD1 no hydrogen 2.776 N/A LEU 134.A N GLN 100.A OE1 no hydrogen 2.834 N/A SER 135.A N ALA 127.A O no hydrogen 2.943 N/A SER 135.A OG GLU 137.A OE2 no hydrogen 2.391 N/A GLU 137.A N TRP 125.A O no hydrogen 2.738 N/A LYS 138.A NZ THR 117.A OG1 no hydrogen 3.194 N/A GLU 139.A N TRP 123.A O no hydrogen 2.688 N/A ASN 141.A N SER 121.A O no hydrogen 2.913 N/A GLY 143.A N PRO 140.A O no hydrogen 3.119 N/A ARG 147.A N ASN 144.A O no hydrogen 3.095 N/A ARG 147.A NH1 VAL 57.A O no hydrogen 2.826 N/A ARG 147.A NH1 SER 60.A O no hydrogen 2.665 N/A ARG 147.A NH2 SER 60.A O no hydrogen 2.931 N/A LYS 148.A N PRO 145.A O no hydrogen 2.784 N/A LYS 148.A NZ GLU 139.A OE1 no hydrogen 3.052 N/A LYS 148.A NZ GLU 139.A OE2 no hydrogen 2.670 N/A LYS 148.A NZ ASN 144.A O no hydrogen 2.928 N/A GLY 149.A N VAL 146.A O no hydrogen 2.928 N/A LEU 150.A N PRO 145.A O no hydrogen 3.070 N/A ASN 151.A N SER 128.A O no hydrogen 2.756 N/A ASN 151.A ND2 ARG 190.A O no hydrogen 2.583 N/A LEU 153.A N LEU 126.A O no hydrogen 2.790 N/A LEU 154.A N LEU 126.A O no hydrogen 3.250 N/A GLY 155.A N GLN 80.A OE1 no hydrogen 3.350 N/A PHE 156.A N VAL 124.A O no hydrogen 2.909 N/A VAL 158.A N GLY 122.A O no hydrogen 2.971 N/A TRP 159.A N ASP 157.A OD1 no hydrogen 2.973 N/A TRP 159.A NE1 ASN 141.A O no hydrogen 2.909 N/A ALA 162.A N TRP 159.A O no hydrogen 3.008 N/A TYR 163.A N GLU 160.A O no hydrogen 3.149 N/A TYR 164.A N GLU 160.A O no hydrogen 2.819 N/A THR 166.A N TYR 163.A O no hydrogen 3.351 N/A TYR 167.A N TYR 163.A O no hydrogen 2.816 N/A TYR 167.A OH ASP 177.A OD2 no hydrogen 2.486 N/A GLN 168.A N TYR 164.A O no hydrogen 2.816 N/A GLN 168.A NE2 TYR 164.A O no hydrogen 3.208 N/A ARG 170.A N TYR 167.A O no hydrogen 2.861 N/A ARG 170.A NH1 ASP 173.A OD2 no hydrogen 2.868 N/A ARG 171.A N ASN 169.A O no hydrogen 2.939 N/A ARG 171.A NE TYR 163.A OH no hydrogen 2.995 N/A ARG 171.A NH1 GLY 115.A O no hydrogen 3.083 N/A ARG 171.A NH1 LEU 118.A O no hydrogen 2.701 N/A ARG 171.A NH2 GLY 120.A O no hydrogen 2.904 N/A HIS 174.A N ARG 170.A O no hydrogen 3.294 N/A LEU 175.A N ARG 171.A O no hydrogen 2.986 N/A LYS 176.A N ALA 172.A O no hydrogen 3.186 N/A LYS 176.A NZ ASP 177.A OD1 no hydrogen 3.344 N/A ASP 177.A N ASP 173.A O no hydrogen 3.079 N/A LEU 178.A N HIS 174.A O no hydrogen 2.955 N/A TRP 179.A NE1 ASN 112.A OD1 no hydrogen 2.912 N/A SER 180.A N ASP 177.A O no hydrogen 3.217 N/A SER 180.A OG ASP 177.A O no hydrogen 2.872 N/A ILE 181.A N LEU 178.A O no hydrogen 3.109 N/A VAL 182.A N TRP 179.A O no hydrogen 3.353 N/A ASP 183.A N GLN 80.A O no hydrogen 2.973 N/A ASP 185.A N ASP 183.A OD2 no hydrogen 2.860 N/A ILE 186.A N ASP 183.A O no hydrogen 3.120 N/A ILE 186.A N ASP 183.A OD2 no hydrogen 3.419 N/A VAL 187.A N ASP 183.A O no hydrogen 3.227 N/A GLU 188.A N TRP 184.A O no hydrogen 2.719 N/A SER 189.A N ASP 185.A O no hydrogen 3.389 N/A SER 189.A OG ILE 186.A O no hydrogen 2.787 N/A ARG 190.A N VAL 187.A O no hydrogen 2.953 N/A ARG 190.A NH1 LEU 76.A O no hydrogen 3.532 N/A ARG 190.A NH1 GLN 80.A OE1 no hydrogen 3.199 N/A ARG 190.A NH1 LEU 153.A O no hydrogen 2.769 N/A ARG 190.A NH2 LEU 76.A O no hydrogen 2.825 N/A TYR 191.A N GLU 188.A O no hydrogen 3.087 N/A TYR 191.A OH GLY 132.A O no hydrogen 2.435 N/A