Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 2rgx_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): MET 1.A N ASN 77.A OD1 no hydrogen 2.578 N/A ILE 2.A N ASP 105.A OD1 no hydrogen 2.781 N/A LEU 3.A N VAL 78.A O no hydrogen 2.890 N/A VAL 4.A N HIS 106.A O no hydrogen 2.975 N/A PHE 5.A N PHE 80.A O no hydrogen 2.808 N/A LEU 6.A N LEU 108.A O no hydrogen 2.834 N/A ALA 11.A N PRO 8.A O no hydrogen 3.031 N/A LYS 13.A NZ GLY 7.A O no hydrogen 2.972 N/A LYS 13.A NZ PRO 8.A O no hydrogen 3.200 N/A GLN 16.A N GLY 12.A O no hydrogen 3.000 N/A ALA 17.A N LYS 13.A O no hydrogen 2.843 N/A LYS 18.A N GLY 14.A O no hydrogen 2.808 N/A ARG 19.A N THR 15.A O no hydrogen 3.208 N/A ARG 19.A NE GLU 23.A OE1 no hydrogen 3.487 N/A ARG 19.A NE GLU 23.A OE2 no hydrogen 3.366 N/A ARG 19.A NH1 GLU 192.A OE1 no hydrogen 2.505 N/A ARG 19.A NH2 GLU 192.A OE1 no hydrogen 2.723 N/A LEU 20.A N GLN 16.A O no hydrogen 3.028 N/A ALA 21.A N ALA 17.A O no hydrogen 2.846 N/A LYS 22.A N LYS 18.A O no hydrogen 3.144 N/A GLU 23.A N ARG 19.A O no hydrogen 2.838 N/A LYS 24.A N LEU 20.A O no hydrogen 2.746 N/A GLY 25.A N ALA 21.A O no hydrogen 3.137 N/A VAL 27.A N ASN 77.A O no hydrogen 2.593 N/A HIS 28.A NE2 ASP 81.A OD2 no hydrogen 2.752 N/A ILE 29.A N ILE 79.A O no hydrogen 2.838 N/A THR 31.A OG1 GLY 82.A O no hydrogen 3.225 N/A ASP 33.A N SER 30.A OG no hydrogen 3.031 N/A ILE 34.A N SER 30.A O no hydrogen 3.045 N/A LEU 35.A N THR 31.A O no hydrogen 2.845 N/A ARG 36.A N GLY 32.A O no hydrogen 2.863 N/A ARG 36.A NH1 ASP 152.A OD1 no hydrogen 3.448 N/A GLU 37.A N ASP 33.A O no hydrogen 3.048 N/A ALA 38.A N ILE 34.A O no hydrogen 3.027 N/A VAL 39.A N LEU 35.A O no hydrogen 2.843 N/A GLN 40.A N ARG 36.A O no hydrogen 2.892 N/A LYS 41.A N GLU 37.A O no hydrogen 2.858 N/A LYS 41.A NZ GLU 37.A OE2 no hydrogen 2.722 N/A GLY 42.A N VAL 39.A O no hydrogen 3.102 N/A THR 43.A OG1 ALA 38.A O no hydrogen 3.544 N/A GLY 46.A N THR 43.A OG1 no hydrogen 3.119 N/A LYS 47.A N THR 43.A O no hydrogen 2.860 N/A LYS 48.A N PRO 44.A O no hydrogen 3.106 N/A ALA 49.A N LEU 45.A O no hydrogen 2.979 N/A LYS 50.A N GLY 46.A O no hydrogen 2.896 N/A TYR 52.A N ALA 49.A O no hydrogen 3.155 N/A MET 53.A N ALA 49.A O no hydrogen 3.243 N/A GLU 54.A N LYS 50.A O no hydrogen 3.011 N/A ARG 55.A N TYR 52.A O no hydrogen 3.114 N/A GLY 56.A N MET 53.A O no hydrogen 3.219 N/A GLU 57.A N TYR 52.A O no hydrogen 2.995 N/A ILE 64.A N PRO 60.A O no hydrogen 3.232 N/A ILE 65.A N ASP 61.A O no hydrogen 2.711 N/A ALA 66.A N ASP 62.A O no hydrogen 3.259 N/A LEU 67.A N LEU 63.A O no hydrogen 2.993 N/A ILE 68.A N ILE 64.A O no hydrogen 2.908 N/A GLU 69.A N ILE 65.A O no hydrogen 2.998 N/A GLU 70.A N ALA 66.A O no hydrogen 3.028 N/A VAL 71.A N LEU 67.A O no hydrogen 2.861 N/A VAL 71.A N ILE 68.A O no hydrogen 3.179 N/A PHE 72.A N ILE 68.A O no hydrogen 2.900 N/A VAL 78.A N MET 1.A O no hydrogen 3.011 N/A ILE 79.A N VAL 27.A O no hydrogen 2.864 N/A PHE 80.A N LEU 3.A O no hydrogen 2.776 N/A ASP 81.A N ILE 29.A O no hydrogen 2.858 N/A GLY 82.A N PHE 5.A O no hydrogen 3.475 N/A ARG 85.A N GLN 89.A OE1 no hydrogen 2.844 N/A THR 86.A OG1 ASP 61.A OD1 no hydrogen 2.925 N/A GLN 89.A N THR 86.A OG1 no hydrogen 3.094 N/A GLN 89.A NE2 ASP 61.A OD1 no hydrogen 2.855 N/A ALA 90.A N THR 86.A O no hydrogen 2.894 N/A GLU 91.A N VAL 87.A O no hydrogen 2.840 N/A ALA 92.A N LYS 88.A O no hydrogen 3.085 N/A LEU 93.A N GLN 89.A O no hydrogen 2.961 N/A ASP 94.A N ALA 90.A O no hydrogen 2.816 N/A GLU 95.A N GLU 91.A O no hydrogen 2.976 N/A MET 96.A N ALA 92.A O no hydrogen 2.929 N/A LEU 97.A N LEU 93.A O no hydrogen 3.103 N/A GLU 98.A N ASP 94.A O no hydrogen 3.064 N/A LYS 99.A N GLU 95.A O no hydrogen 2.999 N/A LYS 99.A NZ GLU 95.A OE1 no hydrogen 2.585 N/A LYS 100.A N LEU 97.A O no hydrogen 2.747 N/A GLY 101.A N GLU 98.A O no hydrogen 2.810 N/A LEU 102.A N LEU 97.A O no hydrogen 2.878 N/A ASP 105.A N ILE 2.A O no hydrogen 2.868 N/A VAL 107.A N ILE 181.A O no hydrogen 3.091 N/A LEU 108.A N VAL 4.A O no hydrogen 2.809 N/A LEU 109.A N ARG 183.A O no hydrogen 2.876 N/A PHE 110.A N LEU 6.A O no hydrogen 2.763 N/A GLU 111.A N ILE 185.A O no hydrogen 3.015 N/A VAL 116.A N PRO 113.A O no hydrogen 3.079 N/A VAL 117.A N PRO 113.A O no hydrogen 3.110 N/A ILE 118.A N ASP 114.A O no hydrogen 3.050 N/A GLU 119.A N GLU 115.A O no hydrogen 3.112 N/A ARG 120.A N VAL 116.A O no hydrogen 2.732 N/A ARG 120.A NH1 GLY 10.A O no hydrogen 3.441 N/A ARG 120.A NH1 ALA 187.A O no hydrogen 3.115 N/A ARG 120.A NH2 ALA 187.A O no hydrogen 2.798 N/A LEU 121.A N VAL 117.A O no hydrogen 3.002 N/A SER 122.A N ILE 118.A O no hydrogen 2.978 N/A SER 122.A OG ILE 118.A O no hydrogen 3.049 N/A SER 122.A OG GLU 119.A O no hydrogen 3.246 N/A GLY 123.A N GLU 119.A O no hydrogen 3.241 N/A ARG 124.A N LEU 121.A O no hydrogen 3.074 N/A ARG 124.A NE ASP 153.A OD2 no hydrogen 2.795 N/A ARG 124.A NH2 ASP 153.A OD1 no hydrogen 2.593 N/A ARG 124.A NH2 ASP 153.A OD2 no hydrogen 3.144 N/A ARG 125.A N TYR 134.A O no hydrogen 2.984 N/A ARG 125.A NH1 SER 122.A O no hydrogen 3.049 N/A ARG 125.A NH1 ARG 124.A O no hydrogen 2.915 N/A ILE 126.A N ILE 148.A O no hydrogen 2.874 N/A ASN 127.A N GLU 132.A O no hydrogen 3.058 N/A GLU 129.A N ASN 127.A OD1 no hydrogen 2.810 N/A THR 130.A N ASN 127.A O no hydrogen 3.213 N/A THR 130.A OG1 GLU 132.A OE2 no hydrogen 2.691 N/A GLY 131.A N ASN 127.A O no hydrogen 2.810 N/A GLU 132.A N THR 130.A OG1 no hydrogen 3.134 N/A TYR 134.A N ARG 125.A O no hydrogen 2.673 N/A HIS 135.A N ASN 139.A O no hydrogen 2.816 N/A HIS 135.A NE2 GLU 119.A O no hydrogen 3.035 N/A VAL 136.A N GLY 123.A O no hydrogen 2.851 N/A LYS 137.A N HIS 135.A ND1 no hydrogen 3.073 N/A LYS 137.A NZ TYR 138.A OH no hydrogen 3.068 N/A TYR 138.A N HIS 135.A ND1 no hydrogen 3.197 N/A TYR 138.A OH GLU 119.A OE2 no hydrogen 2.451 N/A ASN 139.A N HIS 135.A O no hydrogen 2.930 N/A VAL 145.A N PRO 142.A O no hydrogen 3.205 N/A ILE 148.A N ILE 126.A O no hydrogen 2.869 N/A ARG 150.A NE ASP 152.A OD1 no hydrogen 2.988 N/A ARG 150.A NH2 ASP 152.A OD2 no hydrogen 3.235 N/A ASP 153.A N ARG 150.A O no hydrogen 3.024 N/A LYS 154.A N GLU 151.A O no hydrogen 3.354 N/A GLU 156.A N GLU 156.A OE1 no hydrogen 2.732 N/A ILE 158.A N LYS 154.A O no hydrogen 3.060 N/A LYS 159.A N PRO 155.A O no hydrogen 3.222 N/A LYS 160.A N GLU 156.A O no hydrogen 3.132 N/A LYS 160.A NZ GLU 163.A OE1 no hydrogen 2.758 N/A LYS 160.A NZ GLU 163.A OE2 no hydrogen 3.522 N/A ARG 161.A N VAL 157.A O no hydrogen 2.815 N/A ARG 161.A NH2 ASP 152.A O no hydrogen 3.011 N/A ARG 161.A NH2 ASP 153.A OD1 no hydrogen 2.694 N/A LEU 162.A N ILE 158.A O no hydrogen 2.822 N/A GLU 163.A N LYS 159.A O no hydrogen 2.987 N/A VAL 164.A N LYS 160.A O no hydrogen 3.000 N/A TYR 165.A N ARG 161.A O no hydrogen 2.958 N/A ARG 166.A N LEU 162.A O no hydrogen 2.914 N/A ARG 166.A NE ASP 114.A OD1 no hydrogen 2.914 N/A ARG 166.A NH2 VAL 112.A O no hydrogen 2.803 N/A ARG 166.A NH2 ASP 114.A OD1 no hydrogen 2.966 N/A GLU 167.A N GLU 163.A O no hydrogen 3.005 N/A GLN 168.A N VAL 164.A O no hydrogen 2.900 N/A THR 169.A N TYR 165.A O no hydrogen 2.956 N/A THR 169.A OG1 TYR 165.A O no hydrogen 2.723 N/A ILE 173.A N THR 169.A O no hydrogen 2.730 N/A GLU 174.A N ALA 170.A O no hydrogen 3.122 N/A TYR 175.A N PRO 171.A O no hydrogen 2.857 N/A TYR 175.A OH ASP 94.A OD2 no hydrogen 2.576 N/A TYR 176.A N LEU 172.A O no hydrogen 3.139 N/A TYR 176.A N ILE 173.A O no hydrogen 3.129 N/A LYS 177.A N ILE 173.A O no hydrogen 2.877 N/A LYS 178.A N GLU 174.A O no hydrogen 2.983 N/A LYS 179.A N TYR 176.A O no hydrogen 3.092 N/A LYS 179.A NZ ASP 94.A OD2 no hydrogen 2.678 N/A GLY 180.A N LYS 177.A O no hydrogen 2.855 N/A ARG 183.A N VAL 107.A O no hydrogen 2.762 N/A ARG 183.A NE HIS 106.A ND1 no hydrogen 2.992 N/A ARG 183.A NH1 GLY 180.A O no hydrogen 3.271 N/A ARG 183.A NH2 HIS 106.A ND1 no hydrogen 2.994 N/A ILE 185.A N LEU 109.A O no hydrogen 2.812 N/A ASP 186.A N GLN 197.A OE1 no hydrogen 2.965 N/A ALA 187.A N GLU 111.A O no hydrogen 2.946 N/A SER 188.A N ASP 186.A OD1 no hydrogen 3.001 N/A SER 188.A OG ASP 186.A OD1 no hydrogen 2.369 N/A VAL 194.A N PRO 190.A O no hydrogen 2.987 N/A TYR 195.A N VAL 191.A O no hydrogen 2.903 N/A TYR 195.A OH GLU 23.A OE1 no hydrogen 3.277 N/A ARG 196.A N GLU 192.A O no hydrogen 3.126 N/A GLN 197.A N GLU 193.A O no hydrogen 3.277 N/A GLN 197.A NE2 ASP 186.A O no hydrogen 2.937 N/A GLN 197.A NE2 GLU 193.A O no hydrogen 3.494 N/A VAL 198.A N VAL 194.A O no hydrogen 2.962 N/A LEU 199.A N TYR 195.A O no hydrogen 2.995 N/A GLU 200.A N ARG 196.A O no hydrogen 2.894 N/A VAL 201.A N GLN 197.A O no hydrogen 2.911 N/A ILE 202.A N VAL 198.A O no hydrogen 3.042 N/A GLY 203.A N LEU 199.A O no hydrogen 2.923 N/A