Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4jjr_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): VAL 3.A N TYR 7.A O no hydrogen 2.728 N/A GLY 4.A N GLU 68.A OE1 no hydrogen 2.984 N/A ARG 6.A N VAL 3.A O no hydrogen 3.390 N/A ARG 6.A NE ASP 26.A OD1 no hydrogen 2.799 N/A TYR 7.A N VAL 3.A O no hydrogen 3.034 N/A ARG 8.A N THR 25.A O no hydrogen 2.861 N/A LEU 9.A N LEU 1.A O no hydrogen 3.263 N/A GLY 10.A N LEU 23.A O no hydrogen 2.768 N/A LYS 12.A NZ ASP 20.A OD2 no hydrogen 3.065 N/A ILE 13.A N ILE 21.A O no hydrogen 2.878 N/A GLY 14.A N ILE 21.A O no hydrogen 3.359 N/A SER 15.A OG ASP 20.A OD1 no hydrogen 3.244 N/A SER 17.A OG ASP 143.A OD1 no hydrogen 2.826 N/A SER 17.A OG ASP 143.A OD2 no hydrogen 3.201 N/A ASP 20.A N LEU 37.A O no hydrogen 3.017 N/A ILE 21.A N GLY 14.A O no hydrogen 3.120 N/A TYR 22.A N ILE 35.A O no hydrogen 2.868 N/A LEU 23.A N ARG 11.A O no hydrogen 2.854 N/A GLY 24.A N VAL 33.A O no hydrogen 2.922 N/A THR 25.A N ARG 8.A O no hydrogen 2.922 N/A THR 25.A OG1 GLU 32.A OE1 no hydrogen 3.423 N/A THR 25.A OG1 GLU 32.A OE2 no hydrogen 2.956 N/A ASP 26.A N GLU 31.A O no hydrogen 2.696 N/A ILE 27.A N ARG 6.A O no hydrogen 3.175 N/A ALA 28.A N ASP 26.A OD1 no hydrogen 3.163 N/A GLU 31.A N ASP 26.A O no hydrogen 3.009 N/A VAL 33.A N GLY 24.A O no hydrogen 2.890 N/A ALA 34.A N MET 76.A O no hydrogen 2.876 N/A ILE 35.A N TYR 22.A O no hydrogen 2.907 N/A LYS 36.A N MET 74.A O no hydrogen 2.849 N/A LYS 36.A NZ GLU 46.A OE1 no hydrogen 2.725 N/A LEU 37.A N ASP 20.A O no hydrogen 2.861 N/A GLU 38.A N ASN 72.A O no hydrogen 2.949 N/A VAL 40.A N ASP 70.A O no hydrogen 3.161 N/A GLN 42.A N GLU 38.A OE2 no hydrogen 2.477 N/A LEU 43.A N GLU 38.A OE2 no hydrogen 3.016 N/A GLU 46.A N GLN 42.A O no hydrogen 3.207 N/A SER 47.A N LEU 43.A O no hydrogen 2.924 N/A SER 47.A OG LEU 43.A O no hydrogen 3.182 N/A SER 47.A OG HIS 44.A O no hydrogen 2.535 N/A LYS 48.A N HIS 44.A O no hydrogen 2.930 N/A ILE 49.A N ILE 45.A O no hydrogen 2.998 N/A TYR 50.A N GLU 46.A O no hydrogen 2.881 N/A LYS 51.A N SER 47.A O no hydrogen 2.931 N/A MET 52.A N LYS 48.A O no hydrogen 2.958 N/A MET 53.A N ILE 49.A O no hydrogen 2.966 N/A MET 53.A N TYR 50.A O no hydrogen 3.027 N/A GLN 54.A N LYS 51.A O no hydrogen 3.440 N/A GLN 54.A NE2 TYR 50.A O no hydrogen 3.072 N/A GLN 54.A NE2 PRO 60.A O no hydrogen 2.886 N/A GLY 56.A N MET 53.A O no hydrogen 3.414 N/A THR 61.A N GLU 77.A OE2 no hydrogen 3.037 N/A THR 61.A OG1 GLU 77.A OE2 no hydrogen 3.483 N/A ILE 62.A N GLN 54.A OE1 no hydrogen 2.929 N/A ARG 63.A N VAL 75.A O no hydrogen 2.600 N/A ARG 63.A NH2 GLU 31.A OE2 no hydrogen 3.156 N/A TRP 64.A N VAL 75.A O no hydrogen 3.056 N/A CYS 65.A SG SER 47.A OG no hydrogen 3.481 N/A GLY 66.A N VAL 73.A O no hydrogen 2.974 N/A GLU 68.A N TYR 71.A O no hydrogen 2.881 N/A TYR 71.A N GLU 68.A O no hydrogen 2.930 N/A ASN 72.A N GLU 38.A O no hydrogen 2.867 N/A ASN 72.A ND2 GLU 38.A OE1 no hydrogen 2.712 N/A VAL 73.A N GLY 66.A O no hydrogen 2.881 N/A MET 74.A N LYS 36.A O no hydrogen 2.944 N/A VAL 75.A N TRP 64.A O no hydrogen 2.823 N/A MET 76.A N ALA 34.A O no hydrogen 2.888 N/A GLU 77.A N THR 61.A O no hydrogen 3.047 N/A GLY 80.A N MET 130.A O no hydrogen 2.612 N/A SER 82.A N ASP 85.A OD2 no hydrogen 3.245 N/A SER 82.A OG ASP 126.A OD1 no hydrogen 3.126 N/A LEU 83.A N PRO 125.A O no hydrogen 3.239 N/A LEU 83.A N PHE 128.A O no hydrogen 2.866 N/A ASP 85.A N SER 82.A OG no hydrogen 3.139 N/A LEU 86.A N SER 82.A O no hydrogen 3.072 N/A PHE 87.A N LEU 83.A O no hydrogen 2.898 N/A ASN 88.A N GLU 84.A O no hydrogen 2.919 N/A PHE 89.A N ASP 85.A O no hydrogen 2.955 N/A CYS 90.A N LEU 86.A O no hydrogen 3.019 N/A CYS 90.A N PHE 87.A O no hydrogen 3.213 N/A CYS 90.A SG LEU 86.A O no hydrogen 3.428 N/A SER 91.A N ASN 88.A O no hydrogen 3.227 N/A ARG 92.A N PHE 87.A O no hydrogen 2.768 N/A ARG 92.A NH1 GLU 84.A OE2 no hydrogen 3.254 N/A ARG 92.A NH1 ASN 88.A OD1 no hydrogen 2.729 N/A ARG 92.A NH2 TYR 196.A OH no hydrogen 2.586 N/A ARG 92.A NH2 GLY 200.A O no hydrogen 3.353 N/A LYS 93.A N CYS 90.A O no hydrogen 3.213 N/A SER 95.A N ASP 274.A OD2 no hydrogen 2.459 N/A SER 95.A OG ASP 274.A OD1 no hydrogen 2.658 N/A SER 95.A OG ASP 274.A OD2 no hydrogen 3.160 N/A LYS 97.A NZ ASP 270.A OD1 no hydrogen 2.794 N/A VAL 99.A N SER 95.A O no hydrogen 3.034 N/A LEU 100.A N LEU 96.A O no hydrogen 2.943 N/A LEU 101.A N LYS 97.A O no hydrogen 2.926 N/A LEU 102.A N THR 98.A O no hydrogen 2.898 N/A ALA 103.A N VAL 99.A O no hydrogen 2.891 N/A ASP 104.A N LEU 100.A O no hydrogen 3.000 N/A GLN 105.A NE2 ASN 137.A O no hydrogen 3.009 N/A MET 106.A N LEU 102.A O no hydrogen 2.910 N/A ILE 107.A N ALA 103.A O no hydrogen 2.945 N/A SER 108.A N ASP 104.A O no hydrogen 3.061 N/A SER 108.A OG ASP 104.A O no hydrogen 3.189 N/A ARG 109.A N GLN 105.A O no hydrogen 2.878 N/A ARG 109.A NE VAL 139.A O no hydrogen 2.567 N/A ARG 109.A NH2 VAL 139.A O no hydrogen 3.414 N/A ILE 110.A N MET 106.A O no hydrogen 3.007 N/A GLU 111.A N ILE 107.A O no hydrogen 2.961 N/A TYR 112.A N SER 108.A O no hydrogen 2.938 N/A TYR 112.A OH MET 53.A O no hydrogen 2.941 N/A ILE 113.A N ARG 109.A O no hydrogen 2.995 N/A HIS 114.A N ILE 110.A O no hydrogen 2.954 N/A HIS 114.A ND1 TYR 251.A OH no hydrogen 2.362 N/A HIS 114.A NE2 ASP 186.A OD2 no hydrogen 3.110 N/A SER 115.A N GLU 111.A O no hydrogen 2.874 N/A SER 115.A OG TYR 112.A O no hydrogen 2.559 N/A LYS 116.A N TYR 112.A O no hydrogen 3.015 N/A LYS 116.A N ILE 113.A O no hydrogen 3.138 N/A ASN 117.A N HIS 114.A O no hydrogen 3.045 N/A PHE 118.A N ILE 113.A O no hydrogen 3.291 N/A ILE 119.A N LYS 148.A O no hydrogen 2.780 N/A HIS 120.A N ASP 186.A OD2 no hydrogen 2.995 N/A HIS 120.A NE2 ILE 142.A O no hydrogen 2.883 N/A ARG 121.A N ASP 186.A OD1 no hydrogen 3.038 N/A ARG 121.A NE LEU 146.A O no hydrogen 2.994 N/A ARG 121.A NH2 LEU 146.A O no hydrogen 3.222 N/A ASP 122.A N HIS 120.A ND1 no hydrogen 3.037 N/A ASN 127.A N LYS 124.A O no hydrogen 2.958 N/A ASN 127.A ND2 ASP 122.A O no hydrogen 2.896 N/A PHE 128.A N PRO 125.A O no hydrogen 3.372 N/A LEU 129.A N TYR 140.A O no hydrogen 2.917 N/A MET 130.A N PRO 81.A O no hydrogen 2.974 N/A GLY 131.A N LEU 138.A O no hydrogen 3.081 N/A LYS 135.A N LEU 132.A O no hydrogen 3.056 N/A GLY 136.A N GLY 133.A O no hydrogen 3.125 N/A LEU 138.A N LYS 135.A O no hydrogen 3.151 N/A VAL 139.A N GLN 105.A OE1 no hydrogen 2.708 N/A TYR 140.A N LEU 129.A O no hydrogen 2.823 N/A ILE 141.A N GLY 58.A O no hydrogen 3.064 N/A ILE 142.A N ASN 127.A O no hydrogen 2.883 N/A ASP 143.A N TYR 50.A OH no hydrogen 2.637 N/A PHE 144.A N GLU 46.A OE2 no hydrogen 2.967 N/A GLY 145.A N ASP 143.A OD1 no hydrogen 3.178 N/A ALA 147.A N PHE 144.A O no hydrogen 3.125 N/A LYS 148.A N ILE 119.A O no hydrogen 3.037 N/A LYS 148.A NZ GLU 180.A OE1 no hydrogen 2.746 N/A LYS 148.A NZ GLU 180.A OE2 no hydrogen 2.914 N/A TYR 150.A N ASN 117.A O no hydrogen 3.049 N/A TYR 150.A OH HIS 114.A O no hydrogen 2.718 N/A ARG 151.A NE ASN 117.A OD1 no hydrogen 2.907 N/A ARG 151.A NH2 SER 115.A O no hydrogen 3.403 N/A ARG 151.A NH2 ASN 117.A OD1 no hydrogen 3.459 N/A ASP 152.A N GLN 157.A O no hydrogen 2.858 N/A ARG 154.A N ASP 152.A OD2 no hydrogen 2.953 N/A THR 155.A N ASP 152.A OD2 no hydrogen 2.835 N/A THR 155.A OG1 ASP 152.A OD2 no hydrogen 2.911 N/A HIS 156.A N ASP 152.A O no hydrogen 2.959 N/A GLN 157.A N THR 155.A OG1 no hydrogen 3.371 N/A HIS 158.A ND1 ILE 159.A O no hydrogen 2.932 N/A ILE 159.A N TYR 150.A O no hydrogen 2.748 N/A ARG 162.A NH1 TYR 161.A O no hydrogen 3.428 N/A ASN 164.A N GLY 178.A O no hydrogen 2.444 N/A THR 167.A N ASP 122.A OD1 no hydrogen 3.273 N/A ARG 169.A NH1 TYR 170.A OH no hydrogen 3.474 N/A ALA 171.A N ALA 168.A O no hydrogen 3.279 N/A SER 172.A OG THR 175.A OG1 no hydrogen 2.902 N/A SER 172.A OG ASP 185.A OD1 no hydrogen 2.674 N/A ILE 173.A N GLU 188.A OE2 no hydrogen 3.040 N/A ASN 174.A ND2 ASP 185.A OD1 no hydrogen 3.201 N/A THR 175.A N SER 172.A O no hydrogen 3.134 N/A THR 175.A N SER 172.A OG no hydrogen 3.296 N/A THR 175.A OG1 SER 172.A OG no hydrogen 2.902 N/A HIS 176.A N SER 172.A O no hydrogen 3.349 N/A LEU 177.A N ILE 173.A O no hydrogen 3.024 N/A GLY 178.A N THR 175.A O no hydrogen 3.086 N/A ILE 179.A N ASN 174.A O no hydrogen 2.785 N/A GLU 180.A N ARG 162.A O no hydrogen 3.144 N/A SER 182.A N ASP 185.A OD2 no hydrogen 2.722 N/A SER 182.A OG ASP 185.A OD2 no hydrogen 3.540 N/A SER 182.A OG PHE 245.A O no hydrogen 2.780 N/A ARG 183.A NH2 ASP 246.A O no hydrogen 3.120 N/A ARG 184.A NH1 LEU 243.A O no hydrogen 2.767 N/A ASP 185.A N SER 182.A O no hydrogen 2.992 N/A LEU 187.A N ARG 183.A O no hydrogen 3.123 N/A GLU 188.A N ARG 184.A O no hydrogen 2.876 N/A SER 189.A N ASP 185.A O no hydrogen 2.968 N/A SER 189.A OG TYR 170.A O no hydrogen 2.792 N/A SER 189.A OG ASP 185.A O no hydrogen 3.222 N/A LEU 190.A N ASP 186.A O no hydrogen 3.003 N/A GLY 191.A N LEU 187.A O no hydrogen 2.994 N/A TYR 192.A N GLU 188.A O no hydrogen 3.007 N/A TYR 192.A OH GLU 188.A OE2 no hydrogen 2.634 N/A VAL 193.A N SER 189.A O no hydrogen 2.937 N/A LEU 194.A N LEU 190.A O no hydrogen 2.923 N/A MET 195.A N GLY 191.A O no hydrogen 2.985 N/A TYR 196.A N TYR 192.A O no hydrogen 2.921 N/A TYR 196.A OH GLU 84.A OE1 no hydrogen 3.039 N/A PHE 197.A N VAL 193.A O no hydrogen 2.925 N/A ASN 198.A N LEU 194.A O no hydrogen 2.969 N/A LEU 199.A N MET 195.A O no hydrogen 2.902 N/A GLY 200.A N TYR 196.A O no hydrogen 2.984 N/A LEU 202.A N GLN 205.A OE1 no hydrogen 2.725 N/A TRP 204.A NE1 ARG 169.A O no hydrogen 2.704 N/A GLN 205.A N LEU 202.A O no hydrogen 3.095 N/A GLU 211.A N GLN 208.A O no hydrogen 3.124 N/A ILE 213.A N LYS 209.A O no hydrogen 2.928 N/A SER 214.A N TYR 210.A O no hydrogen 2.879 N/A SER 214.A OG HIS 176.A ND1 no hydrogen 2.783 N/A SER 214.A OG TYR 210.A O no hydrogen 2.260 N/A GLU 215.A N GLU 211.A O no hydrogen 2.924 N/A LYS 216.A N ARG 212.A O no hydrogen 2.924 N/A LYS 217.A N ILE 213.A O no hydrogen 2.911 N/A LYS 217.A NZ ALA 168.A O no hydrogen 2.505 N/A LYS 217.A NZ ALA 171.A O no hydrogen 2.760 N/A LYS 217.A NZ HIS 176.A NE2 no hydrogen 2.896 N/A MET 218.A N SER 214.A O no hydrogen 2.930 N/A SER 219.A N GLU 215.A O no hydrogen 2.906 N/A SER 219.A OG GLU 215.A O no hydrogen 3.108 N/A SER 219.A OG LYS 216.A O no hydrogen 3.297 N/A THR 220.A N LYS 217.A O no hydrogen 3.342 N/A THR 220.A OG1 LYS 216.A O no hydrogen 2.518 N/A GLU 223.A N GLU 223.A OE1 no hydrogen 2.704 N/A VAL 224.A N PRO 221.A O no hydrogen 2.941 N/A LEU 225.A N PRO 221.A O no hydrogen 2.929 N/A CYS 226.A N ILE 222.A O no hydrogen 2.843 N/A CYS 226.A SG ILE 222.A O no hydrogen 3.386 N/A LYS 227.A N VAL 224.A O no hydrogen 3.279 N/A TYR 229.A N CYS 226.A O no hydrogen 3.248 N/A TYR 229.A OH ASN 198.A O no hydrogen 2.834 N/A SER 231.A OG GLU 232.A OE1 no hydrogen 3.475 N/A GLU 232.A N GLU 232.A OE1 no hydrogen 2.606 N/A PHE 233.A N PRO 230.A O no hydrogen 3.241 N/A THR 235.A N SER 231.A O no hydrogen 2.945 N/A THR 235.A OG1 SER 231.A O no hydrogen 3.005 N/A TYR 236.A N GLU 232.A O no hydrogen 2.906 N/A TYR 236.A OH LEU 187.A O no hydrogen 2.777 N/A LEU 237.A N PHE 233.A O no hydrogen 2.964 N/A ASN 238.A N ALA 234.A O no hydrogen 2.917 N/A PHE 239.A N THR 235.A O no hydrogen 2.921 N/A CYS 240.A N TYR 236.A O no hydrogen 2.949 N/A CYS 240.A SG TYR 236.A O no hydrogen 3.419 N/A ARG 241.A N LEU 237.A O no hydrogen 2.936 N/A ARG 241.A NE TYR 192.A OH no hydrogen 3.516 N/A ARG 241.A NH2 TYR 192.A OH no hydrogen 2.877 N/A SER 242.A N ASN 238.A O no hydrogen 2.927 N/A SER 242.A N PHE 239.A O no hydrogen 3.160 N/A SER 242.A OG ASN 238.A O no hydrogen 2.902 N/A LEU 243.A N CYS 240.A O no hydrogen 3.459 N/A ARG 244.A N ASP 247.A OD2 no hydrogen 2.901 N/A ASP 247.A N ARG 244.A O no hydrogen 3.080 N/A TYR 251.A OH HIS 114.A ND1 no hydrogen 2.362 N/A TYR 253.A N ASP 250.A OD1 no hydrogen 3.223 N/A LEU 254.A N ASP 250.A O no hydrogen 3.262 N/A ARG 255.A N TYR 251.A O no hydrogen 2.922 N/A ARG 255.A NH1 GLU 111.A OE1 no hydrogen 3.062 N/A ARG 255.A NH2 GLU 111.A OE1 no hydrogen 2.922 N/A GLN 256.A N SER 252.A O no hydrogen 2.900 N/A LEU 257.A N TYR 253.A O no hydrogen 2.963 N/A ARG 259.A N ARG 255.A O no hydrogen 2.911 N/A ARG 259.A NH1 GLN 256.A OE1 no hydrogen 3.117 N/A ASN 260.A N GLN 256.A O no hydrogen 2.913 N/A LEU 261.A N LEU 257.A O no hydrogen 3.023 N/A PHE 262.A N PHE 258.A O no hydrogen 2.855 N/A HIS 263.A N ARG 259.A O no hydrogen 2.925 N/A ARG 264.A N ASN 260.A O no hydrogen 2.954 N/A ARG 264.A NH2 GLU 232.A OE2 no hydrogen 2.636 N/A GLN 265.A N LEU 261.A O no hydrogen 3.169 N/A GLY 266.A N HIS 263.A O no hydrogen 3.159 N/A ASP 270.A N SER 268.A O no hydrogen 2.823 N/A PHE 273.A N ASN 276.A OD1 no hydrogen 3.160 N/A ASP 274.A N THR 98.A OG1 no hydrogen 2.953 N/A ASN 276.A N PHE 273.A O no hydrogen 3.056 N/A MET 277.A N ASP 274.A O no hydrogen 2.903 N/A