Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3rpe_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): MET 4.A N.A GLY 39.A O no hydrogen 3.069 N/A SER 5.A OG HIS 40.A ND1 no hydrogen 2.967 N/A ASN 6.A N ASP 64.A OD2 no hydrogen 2.851 N/A ASN 6.A ND2 TRP 62.A O no hydrogen 3.050 N/A VAL 7.A N GLN 41.A O.A no hydrogen 2.942 N/A VAL 7.A N GLN 41.A O.B no hydrogen 2.912 N/A LEU 8.A N THR 65.A O no hydrogen 2.994 N/A ILE 9.A N LYS 43.A O no hydrogen 2.848 N/A ILE 10.A N ILE 67.A O no hydrogen 2.756 N/A ASN 11.A N THR 45.A O no hydrogen 2.782 N/A ALA 12.A N GLN 69.A O no hydrogen 2.852 N/A MET 13.A N ASN 11.A OD1 no hydrogen 2.994 N/A LYS 14.A NZ ASP 48.A OD1 no hydrogen 2.800 N/A LYS 14.A NZ ASP 48.A OD2 no hydrogen 3.556 N/A PHE 16.A N SER 19.A O no hydrogen 2.892 N/A SER 19.A N PHE 16.A O no hydrogen 2.900 N/A LYS 20.A NZ ALA 17.A O no hydrogen 3.357 N/A ASN 24.A ND2 THR 127.A OG1 no hydrogen 2.930 N/A LEU 25.A N GLY 21.A O no hydrogen 2.999 N/A THR 26.A N ALA 22.A O no hydrogen 2.928 N/A THR 26.A OG1 ALA 22.A O no hydrogen 2.782 N/A LEU 27.A N LEU 23.A O no hydrogen 2.942 N/A THR 28.A N ASN 24.A O no hydrogen 2.969 N/A THR 28.A OG1 ASN 24.A O no hydrogen 2.816 N/A ASN 29.A N LEU 25.A O no hydrogen 2.987 N/A VAL 30.A N THR 26.A O no hydrogen 2.831 N/A ALA 31.A N LEU 27.A O no hydrogen 3.050 N/A ALA 32.A N THR 28.A O no hydrogen 2.947 N/A ASP 33.A N ASN 29.A O no hydrogen 2.905 N/A PHE 34.A N VAL 30.A O no hydrogen 2.967 N/A LEU 35.A N ALA 31.A O no hydrogen 2.864 N/A ARG 36.A N ALA 32.A O no hydrogen 2.957 N/A ARG 36.A NH2 VAL 42.A O no hydrogen 2.991 N/A GLU 37.A N ASP 33.A O no hydrogen 2.948 N/A SER 38.A N PHE 34.A O no hydrogen 2.933 N/A SER 38.A OG PHE 34.A O no hydrogen 2.899 N/A GLY 39.A N ARG 36.A O no hydrogen 3.060 N/A HIS 40.A N LEU 35.A O no hydrogen 2.937 N/A HIS 40.A ND1 SER 5.A O no hydrogen 2.701 N/A HIS 40.A NE2 ASN 196.A OD1 no hydrogen 2.704 N/A LYS 43.A N VAL 7.A O no hydrogen 2.964 N/A THR 45.A N ILE 9.A O no hydrogen 2.854 N/A THR 45.A OG1 GLU 56.A OE1 no hydrogen 3.369 N/A THR 45.A OG1 GLU 56.A OE2 no hydrogen 2.684 N/A VAL 47.A N ASN 11.A O no hydrogen 2.991 N/A GLN 49.A N.A THR 46.A O no hydrogen 3.095 N/A GLN 49.A N.B THR 46.A O no hydrogen 3.102 N/A GLY 50.A N VAL 47.A O no hydrogen 2.999 N/A TYR 51.A OH GLU 87.A OE1 no hydrogen 2.704 N/A SER 55.A N ASP 52.A OD2 no hydrogen 2.959 N/A SER 55.A OG ASP 52.A OD2 no hydrogen 2.742 N/A GLU 56.A N ASP 52.A O no hydrogen 2.987 N/A ILE 57.A N ILE 53.A O no hydrogen 2.986 N/A GLU 58.A N GLU 54.A O no hydrogen 3.058 N/A ASN 59.A N SER 55.A O no hydrogen 2.849 N/A ASN 59.A ND2 GLU 56.A OE2 no hydrogen 3.477 N/A TYR 60.A N GLU 56.A O no hydrogen 2.976 N/A TYR 60.A OH TYR 68.A OH no hydrogen 2.724 N/A LEU 61.A N ILE 57.A O no hydrogen 3.140 N/A TRP 62.A N GLU 58.A O no hydrogen 2.933 N/A ALA 63.A N ASN 59.A O no hydrogen 2.903 N/A ASP 64.A N ASN 6.A O no hydrogen 2.834 N/A THR 65.A N ASN 6.A O no hydrogen 3.093 N/A THR 65.A OG1 THR 121.A OG1 no hydrogen 2.790 N/A ILE 66.A N THR 121.A O no hydrogen 2.906 N/A ILE 67.A N LEU 8.A O no hydrogen 2.836 N/A TYR 68.A N MET 123.A O no hydrogen 2.909 N/A TYR 68.A OH TYR 60.A OH no hydrogen 2.724 N/A TYR 68.A OH ASN 158.A OD1 no hydrogen 2.632 N/A GLN 69.A N ILE 10.A O no hydrogen 2.848 N/A GLN 69.A NE2 ASN 24.A OD1 no hydrogen 2.893 N/A MET 70.A N SER 125.A O no hydrogen 2.946 N/A ALA 72.A N THR 127.A O no hydrogen 2.846 N/A TRP 73.A N GLY 76.A O no hydrogen 2.801 N/A TRP 73.A NE1 SER 19.A OG no hydrogen 3.102 N/A GLY 76.A N TRP 73.A O no hydrogen 3.112 N/A GLU 77.A N GLU 77.A OE1 no hydrogen 2.768 N/A LEU 81.A N PRO 78.A O no hydrogen 2.883 N/A LYS 82.A N PRO 78.A O no hydrogen 3.341 N/A LYS 82.A NZ ASP 86.A OD1 no hydrogen 2.677 N/A LYS 82.A NZ ASP 86.A OD2 no hydrogen 3.246 N/A LYS 83.A N TRP 79.A O no hydrogen 2.900 N/A LYS 83.A NZ GLU 87.A OE1 no hydrogen 3.565 N/A LYS 83.A NZ GLU 87.A OE2 no hydrogen 2.718 N/A TYR 84.A N ILE 80.A O no hydrogen 3.060 N/A TYR 84.A OH GLU 56.A OE2 no hydrogen 2.689 N/A ILE 85.A N.A LEU 81.A O no hydrogen 2.980 N/A ILE 85.A N.B LEU 81.A O no hydrogen 3.018 N/A ASP 86.A N LYS 82.A O no hydrogen 2.869 N/A GLU 87.A N LYS 83.A O no hydrogen 2.956 N/A VAL 88.A N TYR 84.A O no hydrogen 2.801 N/A PHE 89.A N ILE 85.A O.A no hydrogen 2.875 N/A PHE 89.A N ILE 85.A O.B no hydrogen 2.829 N/A THR 90.A OG1 ASP 86.A O no hydrogen 2.584 N/A ASP 91.A N GLU 87.A O no hydrogen 2.956 N/A GLY 92.A N VAL 88.A O no hydrogen 2.935 N/A HIS 93.A N THR 90.A O no hydrogen 3.006 N/A HIS 93.A NE2 GLN 98.A O no hydrogen 2.811 N/A GLY 94.A N TYR 97.A O no hydrogen 2.778 N/A ARG 95.A N GLY 92.A O no hydrogen 2.913 N/A ARG 95.A NH1 GLU 54.A OE2 no hydrogen 2.882 N/A ARG 95.A NH2 GLU 54.A OE1 no hydrogen 2.792 N/A LEU 96.A N GLY 92.A O no hydrogen 2.806 N/A GLN 98.A N GLY 114.A O no hydrogen 2.815 N/A GLN 98.A NE2 GLN 98.A O no hydrogen 3.221 N/A SER 99.A N GLY 114.A O no hydrogen 3.208 N/A GLY 101.A N SER 99.A OG no hydrogen 2.983 N/A ARG 102.A N ASP 100.A OD1 no hydrogen 3.017 N/A ARG 102.A NE ASP 100.A OD2 no hydrogen 2.868 N/A ARG 102.A NH1 ASP 100.A OD2 no hydrogen 3.206 N/A ARG 102.A NH2 ALA 107.A O no hydrogen 2.817 N/A ASP 106.A N THR 103.A O no hydrogen 3.274 N/A ASP 106.A N THR 103.A OG1 no hydrogen 3.115 N/A LYS 109.A N ASP 106.A O no hydrogen 3.249 N/A GLY 112.A N ASP 100.A O no hydrogen 2.795 N/A SER 113.A N GLY 110.A O no hydrogen 3.118 N/A SER 113.A OG GLY 110.A O no hydrogen 2.647 N/A LEU 116.A N LEU 96.A O no hydrogen 3.079 N/A ILE 117.A N LEU 161.A O no hydrogen 2.994 N/A GLN 118.A N GLN 118.A OE1 no hydrogen 2.822 N/A GLN 118.A NE2 GLY 115.A O no hydrogen 2.985 N/A LYS 120.A N ILE 117.A O no hydrogen 3.210 N/A LYS 120.A NZ TYR 60.A O no hydrogen 3.300 N/A LYS 120.A NZ LEU 61.A O no hydrogen 2.902 N/A LYS 120.A NZ ALA 63.A O no hydrogen 2.685 N/A THR 121.A N ASP 64.A O no hydrogen 2.999 N/A THR 121.A OG1 THR 65.A OG1 no hydrogen 2.790 N/A TYR 122.A N LYS 164.A O no hydrogen 3.093 N/A TYR 122.A OH HIS 155.A ND1 no hydrogen 2.656 N/A MET 123.A N ILE 66.A O no hydrogen 2.850 N/A SER 125.A N TYR 68.A O no hydrogen 2.870 N/A SER 125.A OG GLN 69.A OE1 no hydrogen 2.722 N/A VAL 126.A N PHE 169.A O no hydrogen 2.917 N/A THR 127.A N MET 70.A O no hydrogen 3.105 N/A TRP 128.A N CYS 171.A O no hydrogen 2.892 N/A TRP 128.A NE1 TYR 151.A OH no hydrogen 2.935 N/A GLU 133.A N GLU 133.A OE1 no hydrogen 2.850 N/A ALA 134.A N PRO 131.A O no hydrogen 3.059 N/A PHE 135.A N ARG 132.A O no hydrogen 3.108 N/A THR 136.A N GLU 133.A O no hydrogen 3.325 N/A ASP 137.A N GLU 133.A O no hydrogen 2.993 N/A GLU 139.A N ASP 137.A OD1 no hydrogen 2.930 N/A GLN 140.A N ASP 137.A O no hydrogen 2.898 N/A PHE 142.A N ALA 134.A O no hydrogen 3.202 N/A HIS 143.A N.A GLN 140.A O no hydrogen 2.945 N/A HIS 143.A N.B GLN 140.A O no hydrogen 2.909 N/A VAL 145.A N PHE 142.A O no hydrogen 3.162 N/A GLY 146.A N PHE 135.A O no hydrogen 2.945 N/A VAL 150.A N GLY 146.A O no hydrogen 3.158 N/A TYR 151.A N VAL 147.A O no hydrogen 3.006 N/A LEU 152.A N.A GLY 149.A O no hydrogen 3.254 N/A LEU 152.A N.B GLY 149.A O no hydrogen 3.253 N/A HIS 155.A N TYR 151.A O no hydrogen 2.908 N/A HIS 155.A ND1 TYR 122.A OH no hydrogen 2.656 N/A HIS 155.A NE2 ASP 148.A OD1 no hydrogen 2.845 N/A LYS 156.A N LEU 152.A O.A no hydrogen 2.902 N/A LYS 156.A N LEU 152.A O.B no hydrogen 2.837 N/A LYS 156.A NZ GLN 159.A OE1 no hydrogen 2.909 N/A ALA 157.A N PRO 153.A O no hydrogen 2.963 N/A ASN 158.A N PHE 154.A O no hydrogen 3.356 N/A ASN 158.A ND2 PHE 154.A O no hydrogen 2.943 N/A GLN 159.A N HIS 155.A O no hydrogen 2.915 N/A GLN 159.A NE2 TYR 122.A OH no hydrogen 2.963 N/A PHE 160.A N LYS 156.A O no hydrogen 2.924 N/A LEU 161.A N ASN 158.A O no hydrogen 3.226 N/A GLY 162.A N GLN 159.A O no hydrogen 2.868 N/A LYS 164.A N LYS 120.A O no hydrogen 3.266 N/A LEU 166.A N TYR 122.A O no hydrogen 2.804 N/A THR 168.A OG1 ASP 148.A OD1 no hydrogen 2.642 N/A PHE 169.A N LEU 124.A O no hydrogen 2.892 N/A CYS 171.A N VAL 126.A O no hydrogen 2.934 N/A ASN 172.A ND2 ALA 130.A O no hydrogen 2.943 N/A ASP 173.A N ALA 130.A O no hydrogen 3.162 N/A VAL 174.A N TRP 128.A O no hydrogen 3.090 N/A GLN 177.A N ASP 173.A O no hydrogen 2.959 N/A GLY 182.A N ASP 179.A OD1 no hydrogen 3.098 N/A ASP 183.A N ASP 179.A O no hydrogen 2.828 N/A ILE 184.A N ILE 180.A O.A no hydrogen 2.946 N/A ILE 184.A N ILE 180.A O.B no hydrogen 2.945 N/A ALA 185.A N GLU 181.A O no hydrogen 2.975 N/A ARG 186.A N.A GLY 182.A O no hydrogen 2.927 N/A ARG 186.A N.B GLY 182.A O no hydrogen 2.928 N/A ARG 186.A NH1.A MET 170.A O no hydrogen 3.207 N/A ARG 186.A NH2.A MET 170.A O no hydrogen 2.997 N/A ARG 186.A NH2.B ASP 179.A OD2 no hydrogen 2.965 N/A TYR 187.A N ASP 183.A O no hydrogen 2.841 N/A ARG 188.A N ILE 184.A O no hydrogen 2.919 N/A GLN 189.A N ALA 185.A O no hydrogen 3.077 N/A HIS 190.A N ARG 186.A O.A no hydrogen 2.899 N/A HIS 190.A N ARG 186.A O.B no hydrogen 2.965 N/A HIS 190.A NE2 PRO 167.A O no hydrogen 2.820 N/A LEU 191.A N TYR 187.A O no hydrogen 2.818 N/A ALA 192.A N ARG 188.A O no hydrogen 2.842 N/A GLU 193.A N GLN 189.A O no hydrogen 3.040 N/A ASN 194.A N HIS 190.A O no hydrogen 2.903 N/A VAL 195.A N LEU 191.A O no hydrogen 2.861 N/A ASN 196.A N LEU 191.A O no hydrogen 3.011 N/A ASN 196.A ND2 SER 38.A OG no hydrogen 3.064 N/A