Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3jr3_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): LYS 4.A NZ ASP 8.A OD2 no hydrogen 2.866 N/A LEU 7.A N MET 3.A O no hydrogen 2.913 N/A ASP 8.A N LYS 4.A O no hydrogen 2.938 N/A LEU 9.A N GLU 5.A O no hydrogen 3.116 N/A LEU 10.A N PHE 6.A O no hydrogen 2.919 N/A ASN 11.A N LEU 7.A O no hydrogen 2.856 N/A GLU 12.A N ASP 8.A O no hydrogen 2.918 N/A SER 13.A OG THR 16.A OG1 no hydrogen 2.673 N/A SER 13.A OG SER 174.A OG no hydrogen 2.643 N/A LEU 15.A N SER 174.A OG no hydrogen 3.013 N/A THR 16.A OG1 SER 13.A OG no hydrogen 2.673 N/A VAL 17.A N LEU 175.A O no hydrogen 2.971 N/A THR 18.A N ALA 86.A O no hydrogen 3.154 N/A THR 18.A OG1 ALA 86.A O no hydrogen 3.193 N/A LEU 19.A N ILE 177.A O no hydrogen 2.875 N/A THR 20.A N ILE 88.A O no hydrogen 2.875 N/A THR 20.A OG1 THR 89.A OG1 no hydrogen 2.766 N/A THR 20.A OG1 HIS 96.A NE2 no hydrogen 2.775 N/A GLY 21.A N LEU 179.A O no hydrogen 3.120 N/A GLY 23.A N GLY 180.A O no hydrogen 2.752 N/A ILE 24.A N GLY 21.A O no hydrogen 3.152 N/A SER 25.A N ALA 22.A O no hydrogen 2.967 N/A SER 25.A OG HIS 72.A NE2 no hydrogen 3.169 N/A SER 25.A OG ASP 93.A OD2 no hydrogen 2.702 N/A THR 26.A N ALA 22.A O no hydrogen 2.908 N/A SER 28.A N SER 25.A O no hydrogen 2.851 N/A SER 28.A OG LYS 67.A O no hydrogen 2.883 N/A GLY 29.A N THR 26.A O no hydrogen 2.963 N/A ILE 30.A N SER 25.A O no hydrogen 3.345 N/A SER 36.A N GLU 51.A OE2 no hydrogen 3.172 N/A ASN 38.A N SER 36.A OG no hydrogen 3.028 N/A ASN 38.A ND2 ASP 41.A OD2 no hydrogen 3.334 N/A VAL 39.A N SER 36.A O no hydrogen 3.314 N/A ASP 41.A N ASN 38.A O no hydrogen 2.953 N/A ILE 42.A N PHE 154.A O no hydrogen 2.934 N/A PHE 45.A N ASP 41.A O no hydrogen 3.087 N/A TYR 46.A N ILE 42.A O no hydrogen 3.192 N/A SER 47.A N ASP 43.A O no hydrogen 3.085 N/A SER 47.A OG ASP 43.A O no hydrogen 2.868 N/A HIS 48.A N PHE 44.A O no hydrogen 2.776 N/A GLU 51.A N HIS 48.A O no hydrogen 3.014 N/A PHE 52.A N HIS 48.A O no hydrogen 3.064 N/A TYR 53.A N PRO 49.A O no hydrogen 2.934 N/A TYR 53.A OH ILE 147.A O no hydrogen 2.660 N/A ARG 54.A N GLU 50.A O no hydrogen 3.102 N/A PHE 55.A N GLU 51.A O no hydrogen 3.075 N/A ALA 56.A N PHE 52.A O no hydrogen 2.816 N/A LYS 57.A N TYR 53.A O no hydrogen 3.309 N/A LYS 57.A N ARG 54.A O no hydrogen 3.360 N/A GLU 58.A N PHE 55.A O no hydrogen 2.960 N/A GLY 59.A N PHE 55.A O no hydrogen 2.761 N/A ILE 60.A N ALA 56.A O no hydrogen 2.925 N/A PHE 61.A N ALA 56.A O no hydrogen 2.804 N/A MET 63.A N ILE 60.A O no hydrogen 2.852 N/A LEU 64.A N PHE 61.A O no hydrogen 3.022 N/A GLN 65.A N PRO 62.A O no hydrogen 3.160 N/A ALA 66.A N MET 63.A O no hydrogen 3.035 N/A ASN 69.A N HIS 72.A ND1 no hydrogen 3.001 N/A ASN 69.A ND2 ILE 24.A O no hydrogen 2.821 N/A ASN 69.A ND2 SER 28.A OG no hydrogen 2.935 N/A ALA 71.A N ASN 69.A OD1 no hydrogen 2.930 N/A HIS 72.A N ASN 69.A OD1 no hydrogen 3.187 N/A HIS 72.A NE2 SER 25.A OG no hydrogen 3.169 N/A VAL 73.A N ASN 69.A O no hydrogen 2.987 N/A LEU 74.A N LEU 70.A O no hydrogen 2.868 N/A LEU 75.A N ALA 71.A O no hydrogen 3.209 N/A ALA 76.A N HIS 72.A O no hydrogen 3.281 N/A LYS 77.A N VAL 73.A O no hydrogen 2.931 N/A LYS 77.A NZ SER 238.A OG no hydrogen 3.075 N/A LEU 78.A N LEU 74.A O no hydrogen 2.809 N/A GLU 79.A N LEU 75.A O no hydrogen 2.969 N/A GLU 80.A N ALA 76.A O no hydrogen 3.020 N/A LYS 81.A N LYS 77.A O no hydrogen 3.052 N/A GLY 82.A N GLU 79.A O no hydrogen 2.896 N/A LEU 83.A N LEU 78.A O no hydrogen 2.822 N/A GLU 85.A N THR 16.A O no hydrogen 2.793 N/A VAL 87.A N LYS 103.A O no hydrogen 3.034 N/A ILE 88.A N THR 18.A O no hydrogen 2.807 N/A THR 89.A N ILE 105.A O no hydrogen 2.812 N/A THR 89.A OG1 THR 20.A OG1 no hydrogen 2.766 N/A GLN 90.A N THR 20.A O no hydrogen 2.909 N/A ASN 91.A N THR 89.A OG1 no hydrogen 3.020 N/A ASN 91.A ND2 GLY 21.A O no hydrogen 2.971 N/A ARG 94.A NE GLU 106.A OE2 no hydrogen 2.867 N/A ARG 94.A NH1 GLU 112.A OE1 no hydrogen 2.922 N/A ARG 94.A NH1 GLU 113.A OE2 no hydrogen 3.438 N/A ARG 94.A NH2 GLU 106.A OE1 no hydrogen 2.937 N/A ARG 94.A NH2 GLU 113.A OE2 no hydrogen 3.086 N/A LEU 95.A N ASP 93.A OD1 no hydrogen 2.892 N/A HIS 96.A NE2 THR 20.A OG1 no hydrogen 2.775 N/A GLN 97.A N GLN 97.A OE1 no hydrogen 2.722 N/A GLN 97.A NE2 GLU 106.A OE2 no hydrogen 3.008 N/A ARG 98.A N ARG 94.A O no hydrogen 3.094 N/A ARG 98.A NH1 GLU 112.A OE2 no hydrogen 3.025 N/A ARG 98.A NH2 MET 63.A O no hydrogen 3.557 N/A ARG 98.A NH2 ALA 66.A O no hydrogen 2.992 N/A ALA 99.A N LEU 95.A O no hydrogen 3.018 N/A ALA 99.A N HIS 96.A O no hydrogen 3.171 N/A GLY 100.A N GLN 97.A O no hydrogen 3.049 N/A SER 101.A N HIS 96.A O no hydrogen 3.110 N/A SER 101.A OG HIS 96.A O no hydrogen 3.421 N/A LYS 102.A N GLU 79.A OE1 no hydrogen 2.804 N/A LYS 103.A N GLU 79.A OE2 no hydrogen 3.001 N/A LYS 103.A NZ GLU 165.A OE2 no hydrogen 2.956 N/A ILE 105.A N VAL 87.A O no hydrogen 2.748 N/A LEU 107.A N THR 89.A O no hydrogen 2.991 N/A GLY 109.A N GLU 106.A O no hydrogen 3.446 N/A ASN 110.A N ASN 150.A O no hydrogen 2.913 N/A ASN 110.A ND2 GLU 113.A OE1 no hydrogen 2.895 N/A VAL 111.A N ILE 92.A O no hydrogen 2.916 N/A GLU 112.A N ASN 110.A OD1 no hydrogen 2.910 N/A GLU 113.A N ASN 110.A OD1 no hydrogen 2.976 N/A TYR 114.A N TYR 123.A O no hydrogen 2.821 N/A TYR 115.A N ARG 148.A O no hydrogen 2.945 N/A CYS 116.A N LYS 121.A O no hydrogen 2.922 N/A VAL 117.A N LEU 146.A O no hydrogen 2.871 N/A ARG 118.A NH1 ARG 118.A O no hydrogen 3.260 N/A GLU 120.A N CYS 116.A O no hydrogen 2.873 N/A TYR 123.A N TYR 114.A O no hydrogen 2.944 N/A TYR 123.A OH ASP 141.A OD2 no hydrogen 2.785 N/A THR 124.A N ASP 127.A OD2 no hydrogen 3.051 N/A VAL 125.A N GLU 112.A O no hydrogen 2.916 N/A ASP 127.A N THR 124.A OG1 no hydrogen 2.979 N/A VAL 128.A N THR 124.A O no hydrogen 3.111 N/A ILE 129.A N VAL 125.A O no hydrogen 2.874 N/A LYS 130.A N GLU 126.A O no hydrogen 3.028 N/A LYS 130.A NZ GLU 133.A OE1 no hydrogen 2.708 N/A LYS 131.A N ASP 127.A O no hydrogen 2.988 N/A LYS 131.A NZ LEU 139.A O no hydrogen 3.059 N/A LYS 131.A NZ ASP 141.A OD1 no hydrogen 3.024 N/A LYS 131.A NZ ASP 141.A OD2 no hydrogen 3.055 N/A LEU 132.A N VAL 128.A O no hydrogen 2.916 N/A GLU 133.A N LYS 130.A O no hydrogen 3.136 N/A SER 134.A N LYS 131.A O no hydrogen 3.239 N/A SER 134.A OG LYS 131.A O no hydrogen 3.562 N/A SER 135.A OG VAL 137.A O no hydrogen 2.752 N/A VAL 137.A N SER 135.A OG no hydrogen 3.417 N/A CYS 140.A N SER 145.A O no hydrogen 2.814 N/A ASP 141.A N TYR 123.A OH no hydrogen 2.821 N/A CYS 143.A SG SER 145.A OG no hydrogen 3.275 N/A ASN 144.A N CYS 140.A O no hydrogen 2.968 N/A ILE 147.A N PRO 138.A O no hydrogen 2.930 N/A ARG 148.A N TYR 115.A O no hydrogen 2.873 N/A ARG 148.A NE PRO 149.A O no hydrogen 2.953 N/A ARG 148.A NH1 TYR 46.A OH no hydrogen 3.117 N/A ARG 148.A NH1 GLU 156.A OE2 no hydrogen 2.781 N/A ARG 148.A NH2 PRO 149.A O no hydrogen 3.234 N/A ARG 148.A NH2 GLU 156.A OE1 no hydrogen 2.980 N/A ARG 148.A NH2 GLU 156.A OE2 no hydrogen 3.473 N/A ASN 150.A N GLU 113.A O no hydrogen 2.813 N/A ASN 150.A ND2 GLU 113.A OE1 no hydrogen 3.018 N/A VAL 152.A N ALA 108.A O no hydrogen 2.837 N/A PHE 153.A N GLU 156.A OE1 no hydrogen 2.925 N/A PHE 154.A N PHE 40.A O no hydrogen 2.867 N/A GLU 156.A N PHE 153.A O no hydrogen 3.060 N/A LEU 163.A N PRO 159.A O no hydrogen 2.985 N/A ARG 164.A N GLN 160.A O no hydrogen 3.006 N/A ARG 164.A NH1 GLN 160.A O no hydrogen 3.472 N/A GLU 165.A N ASP 161.A O no hydrogen 2.969 N/A ALA 166.A N ALA 162.A O no hydrogen 2.872 N/A ILE 167.A N LEU 163.A O no hydrogen 2.874 N/A GLY 168.A N ARG 164.A O no hydrogen 2.899 N/A LEU 169.A N GLU 165.A O no hydrogen 2.812 N/A SER 170.A N ALA 166.A O no hydrogen 2.930 N/A SER 170.A OG ALA 166.A O no hydrogen 2.805 N/A SER 171.A N ILE 167.A O no hydrogen 2.949 N/A SER 171.A OG ILE 167.A O no hydrogen 3.281 N/A SER 171.A OG GLY 168.A O no hydrogen 2.915 N/A ARG 172.A N GLY 168.A O no hydrogen 3.001 N/A ALA 173.A N LEU 169.A O no hydrogen 3.027 N/A SER 174.A N LEU 15.A O no hydrogen 2.844 N/A SER 174.A OG SER 13.A OG no hydrogen 2.643 N/A SER 174.A OG LEU 15.A O no hydrogen 3.081 N/A LEU 175.A N LEU 15.A O no hydrogen 3.257 N/A MET 176.A N LYS 201.A O no hydrogen 2.907 N/A ILE 177.A N VAL 17.A O no hydrogen 2.915 N/A VAL 178.A N VAL 203.A O no hydrogen 2.847 N/A LEU 179.A N LEU 19.A O no hydrogen 2.823 N/A GLY 180.A N VAL 205.A O no hydrogen 2.774 N/A SER 181.A OG GLN 90.A OE1 no hydrogen 2.822 N/A LEU 183.A N SER 181.A OG no hydrogen 3.143 N/A ALA 189.A N VAL 185.A O no hydrogen 2.866 N/A GLU 190.A N PRO 187.A O no hydrogen 3.018 N/A LEU 191.A N ALA 188.A O no hydrogen 3.042 N/A ILE 194.A N GLU 190.A O no hydrogen 3.004 N/A THR 195.A N LEU 191.A O no hydrogen 3.058 N/A THR 195.A OG1 SER 170.A O no hydrogen 2.755 N/A VAL 196.A N PRO 192.A O no hydrogen 2.980 N/A ARG 197.A N LEU 193.A O no hydrogen 2.859 N/A SER 198.A N ILE 194.A O no hydrogen 2.977 N/A SER 198.A N THR 195.A O no hydrogen 3.171 N/A SER 198.A OG ILE 194.A O no hydrogen 2.638 N/A GLY 199.A N THR 195.A O no hydrogen 3.150 N/A GLY 199.A N VAL 196.A O no hydrogen 3.222 N/A GLY 200.A N THR 195.A O no hydrogen 2.930 N/A LYS 201.A N SER 174.A O no hydrogen 2.854 N/A VAL 203.A N MET 176.A O no hydrogen 2.961 N/A ILE 204.A N LEU 218.A O no hydrogen 2.949 N/A VAL 205.A N VAL 178.A O no hydrogen 2.738 N/A ASN 206.A N TYR 220.A O no hydrogen 3.067 N/A GLY 208.A N ASN 206.A O no hydrogen 2.866 N/A THR 210.A N ASP 213.A OD2 no hydrogen 3.004 N/A THR 210.A OG1 ASP 213.A OD1 no hydrogen 2.827 N/A PHE 212.A N THR 210.A OG1 no hydrogen 3.170 N/A ASP 213.A N THR 210.A O no hydrogen 3.299 N/A ILE 215.A N PHE 212.A O no hydrogen 3.061 N/A ALA 216.A N ASP 213.A O no hydrogen 3.125 N/A THR 217.A N LEU 202.A O no hydrogen 2.720 N/A LEU 218.A N LEU 202.A O no hydrogen 3.402 N/A LYS 219.A NZ GLY 208.A O no hydrogen 2.926 N/A LYS 219.A NZ ASP 213.A OD1 no hydrogen 3.216 N/A LYS 219.A NZ ASP 213.A OD2 no hydrogen 3.086 N/A TYR 220.A N ILE 204.A O no hydrogen 2.759 N/A TYR 220.A OH LYS 2.A O no hydrogen 3.125 N/A MET 222.A N TYR 220.A O no hydrogen 3.117 N/A GLU 226.A N ASP 223.A OD2 no hydrogen 2.910 N/A PHE 227.A N ASP 223.A O no hydrogen 3.040 N/A ALA 228.A N VAL 224.A O no hydrogen 3.008 N/A ARG 229.A N VAL 225.A O no hydrogen 2.923 N/A ARG 229.A NE GLU 226.A OE1 no hydrogen 2.883 N/A ARG 229.A NH2 GLU 226.A OE2 no hydrogen 2.699 N/A ARG 230.A N GLU 226.A O no hydrogen 3.062 N/A ARG 230.A NE MET 1.A O no hydrogen 3.141 N/A ARG 230.A NH1 MET 1.A O no hydrogen 2.714 N/A ARG 230.A NH1 GLU 234.A OE2 no hydrogen 3.195 N/A ARG 230.A NH2 GLU 234.A OE2 no hydrogen 2.920 N/A VAL 231.A N PHE 227.A O no hydrogen 2.922 N/A MET 232.A N ALA 228.A O no hydrogen 3.050 N/A GLU 233.A N ARG 229.A O no hydrogen 3.056 N/A GLU 234.A N ARG 230.A O no hydrogen 2.906 N/A GLY 235.A N VAL 231.A O no hydrogen 2.656 N/A ILE 237.A N MET 232.A O no hydrogen 3.026 N/A