Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3gro_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): LEU 6.A N TYR 34.A O no hydrogen 2.968 N/A VAL 7.A N ASN 77.A O no hydrogen 2.760 N/A ILE 8.A N LEU 36.A O no hydrogen 2.697 N/A HIS 10.A ND1 GLY 11.A O no hydrogen 2.689 N/A HIS 10.A NE2 ASP 46.A OD1 no hydrogen 2.929 N/A SER 14.A N ASP 13.A OD1 no hydrogen 2.753 N/A CYS 15.A N ASP 46.A OD2 no hydrogen 3.052 N/A LEU 19.A N ASN 17.A OD1 no hydrogen 2.820 N/A SER 20.A N ASN 17.A O no hydrogen 2.971 N/A SER 20.A OG ASP 13.A OD1 no hydrogen 3.542 N/A SER 20.A OG ASP 13.A OD2 no hydrogen 2.588 N/A ILE 23.A N SER 20.A O no hydrogen 3.316 N/A LYS 25.A N GLY 21.A O no hydrogen 3.023 N/A GLU 27.A N LYS 24.A O no hydrogen 2.937 N/A LYS 28.A N LYS 25.A O no hydrogen 2.999 N/A ILE 30.A N VAL 26.A O no hydrogen 3.032 N/A ILE 33.A N ILE 30.A O no hydrogen 3.390 N/A TYR 34.A OH ASP 69.A OD2 no hydrogen 2.724 N/A LEU 36.A N LEU 6.A O no hydrogen 2.856 N/A SER 37.A OG CYS 15.A O no hydrogen 2.622 N/A LEU 38.A N ILE 8.A O no hydrogen 2.730 N/A ILE 40.A N ASP 46.A OD1 no hydrogen 3.004 N/A LYS 42.A N GLU 45.A OE2 no hydrogen 2.738 N/A ASP 46.A N THR 43.A O no hydrogen 2.978 N/A VAL 47.A N LEU 44.A O no hydrogen 3.121 N/A ASN 49.A N GLU 45.A O no hydrogen 2.791 N/A ASN 49.A ND2 ILE 40.A O no hydrogen 3.018 N/A SER 50.A N ASP 46.A O no hydrogen 3.154 N/A SER 50.A N VAL 47.A O no hydrogen 3.226 N/A SER 50.A OG VAL 47.A O no hydrogen 2.527 N/A PHE 51.A N GLU 48.A O no hydrogen 3.096 N/A PHE 52.A N GLU 48.A O no hydrogen 2.913 N/A LEU 53.A N ASN 49.A O no hydrogen 3.205 N/A VAL 55.A N GLU 149.A OE1 no hydrogen 2.930 N/A ASN 56.A ND2 ILE 165.A O no hydrogen 2.820 N/A SER 57.A N ASN 54.A OD1 no hydrogen 2.995 N/A GLN 58.A N ASN 54.A O no hydrogen 3.077 N/A GLN 58.A NE2 ASN 49.A O no hydrogen 2.955 N/A GLN 58.A NE2 LEU 53.A O no hydrogen 2.805 N/A VAL 59.A N VAL 55.A O no hydrogen 2.834 N/A THR 60.A N ASN 56.A O no hydrogen 3.182 N/A THR 60.A OG1 ASN 56.A O no hydrogen 3.284 N/A THR 61.A N SER 57.A O no hydrogen 2.907 N/A THR 61.A OG1 SER 57.A O no hydrogen 2.876 N/A VAL 62.A N GLN 58.A O no hydrogen 2.947 N/A CYS 63.A N VAL 59.A O no hydrogen 2.890 N/A CYS 63.A SG VAL 59.A O no hydrogen 3.216 N/A GLN 64.A N THR 60.A O no hydrogen 2.956 N/A ALA 65.A N THR 61.A O no hydrogen 3.001 N/A LEU 66.A N VAL 62.A O no hydrogen 2.889 N/A ALA 67.A N CYS 63.A O no hydrogen 2.954 N/A LYS 68.A N GLN 64.A O no hydrogen 3.193 N/A LYS 68.A N ALA 65.A O no hydrogen 3.151 N/A LYS 71.A N ASP 69.A OD1 no hydrogen 3.248 N/A LEU 72.A N ASP 69.A O no hydrogen 3.140 N/A GLN 73.A N PRO 70.A O no hydrogen 3.408 N/A GLY 75.A N LEU 72.A O no hydrogen 2.808 N/A TYR 76.A N PRO 98.A O no hydrogen 3.012 N/A ASN 77.A N PRO 5.A O no hydrogen 2.757 N/A ALA 78.A N ASN 100.A O no hydrogen 2.918 N/A PHE 80.A N TRP 9.A O no hydrogen 2.915 N/A SER 81.A N VAL 104.A O no hydrogen 2.838 N/A SER 81.A OG HIS 251.A NE2 no hydrogen 2.614 N/A GLN 82.A NE2 SER 50.A O no hydrogen 2.941 N/A GLY 83.A N PHE 80.A O no hydrogen 3.004 N/A GLY 84.A N SER 81.A O no hydrogen 2.738 N/A GLN 85.A N GLN 85.A OE1 no hydrogen 3.056 N/A GLN 85.A NE2 GLN 107.A OE1 no hydrogen 2.766 N/A PHE 86.A N GLN 82.A O no hydrogen 3.113 N/A LEU 87.A N GLY 83.A O no hydrogen 2.892 N/A ARG 88.A N GLY 84.A O no hydrogen 3.090 N/A ARG 88.A NE HIS 108.A ND1 no hydrogen 2.952 N/A ARG 88.A NH1 GLN 92.A OE1 no hydrogen 2.935 N/A ARG 88.A NH1 ILE 170.A O no hydrogen 3.461 N/A ARG 88.A NH1 ASN 171.A OD1 no hydrogen 3.061 N/A ARG 88.A NH2 ASN 171.A OD1 no hydrogen 2.761 N/A ALA 89.A N GLN 85.A O no hydrogen 3.039 N/A VAL 90.A N PHE 86.A O no hydrogen 2.980 N/A ALA 91.A N LEU 87.A O no hydrogen 2.986 N/A GLN 92.A N ARG 88.A O no hydrogen 2.988 N/A GLN 92.A NE2 ILE 170.A O no hydrogen 2.878 N/A ARG 93.A N ALA 89.A O no hydrogen 2.917 N/A ARG 93.A NE TYR 180.A OH no hydrogen 2.998 N/A ARG 93.A NH1 ASN 56.A OD1 no hydrogen 2.770 N/A ARG 93.A NH2 ASN 56.A OD1 no hydrogen 3.299 N/A ARG 93.A NH2 ASP 169.A OD2 no hydrogen 2.695 N/A CYS 94.A N VAL 90.A O no hydrogen 3.015 N/A CYS 94.A SG VAL 90.A O no hydrogen 3.425 N/A ASN 100.A N ASN 77.A OD1 no hydrogen 3.012 N/A ASN 100.A ND2 PHE 266.A O no hydrogen 2.913 N/A LEU 101.A N LYS 188.A O no hydrogen 3.053 N/A ILE 102.A N ALA 78.A O no hydrogen 2.756 N/A SER 103.A N VAL 190.A O no hydrogen 2.698 N/A SER 103.A OG HIS 108.A NE2 no hydrogen 2.778 N/A VAL 104.A N GLY 79.A O no hydrogen 2.790 N/A GLY 105.A N VAL 191.A O no hydrogen 3.005 N/A GLN 107.A N GLN 85.A OE1 no hydrogen 2.628 N/A GLN 107.A NE2 SER 81.A OG no hydrogen 2.977 N/A GLN 107.A NE2 GLY 105.A O no hydrogen 3.132 N/A HIS 108.A N SER 204.A O no hydrogen 3.087 N/A HIS 108.A NE2 SER 103.A OG no hydrogen 2.778 N/A GLN 109.A N SER 204.A OG no hydrogen 2.962 N/A GLY 110.A N GLN 107.A O no hydrogen 3.106 N/A VAL 111.A N TYR 150.A O no hydrogen 3.166 N/A PHE 112.A N ASP 200.A O no hydrogen 2.715 N/A ARG 116.A NE SER 197.A OG no hydrogen 3.232 N/A ARG 116.A NH1 SER 197.A OG no hydrogen 3.322 N/A ARG 116.A NH1 ASP 250.A OD2 no hydrogen 3.365 N/A SER 121.A OG PRO 118.A O no hydrogen 3.146 N/A CYS 125.A N SER 121.A O no hydrogen 2.951 N/A ASP 126.A N SER 122.A O no hydrogen 2.830 N/A PHE 127.A N HIS 123.A O no hydrogen 3.062 N/A ILE 128.A N ILE 124.A O no hydrogen 2.846 N/A ARG 129.A N CYS 125.A O no hydrogen 2.800 N/A ARG 129.A NH1 LEU 114.A O no hydrogen 2.628 N/A LYS 130.A N ASP 126.A O no hydrogen 3.100 N/A THR 131.A N PHE 127.A O no hydrogen 2.974 N/A THR 131.A OG1 PHE 127.A O no hydrogen 2.899 N/A LEU 132.A N ILE 128.A O no hydrogen 2.856 N/A ASN 133.A N ARG 129.A O no hydrogen 3.005 N/A ALA 134.A N LYS 130.A O no hydrogen 2.958 N/A GLY 135.A N THR 131.A O no hydrogen 2.879 N/A ALA 136.A N LEU 132.A O no hydrogen 3.005 N/A TYR 137.A OH TRP 151.A O no hydrogen 2.601 N/A SER 138.A N GLY 135.A O no hydrogen 3.413 N/A SER 138.A OG GLY 135.A O no hydrogen 2.920 N/A GLN 142.A N SER 138.A O no hydrogen 2.835 N/A GLN 142.A NE2 ALA 136.A O no hydrogen 2.742 N/A GLN 142.A NE2 ALA 148.A O no hydrogen 2.681 N/A GLU 143.A N LYS 139.A O no hydrogen 3.097 N/A ARG 144.A N VAL 141.A O no hydrogen 3.351 N/A ARG 144.A NH2 VAL 140.A O no hydrogen 3.071 N/A LEU 145.A N VAL 141.A O no hydrogen 3.172 N/A VAL 146.A N PHE 51.A O no hydrogen 2.722 N/A GLN 147.A NE2 SER 50.A O no hydrogen 2.887 N/A GLN 147.A NE2 GLN 82.A OE1 no hydrogen 2.925 N/A ALA 148.A N LEU 145.A O no hydrogen 3.147 N/A GLU 149.A N VAL 146.A O no hydrogen 3.053 N/A TYR 150.A OH GLN 82.A OE1 no hydrogen 2.567 N/A TRP 151.A N ALA 148.A O no hydrogen 3.217 N/A HIS 152.A N VAL 111.A O no hydrogen 2.868 N/A HIS 152.A ND1 GLN 109.A O no hydrogen 2.711 N/A HIS 152.A NE2 GLU 157.A OE2 no hydrogen 3.065 N/A ASP 153.A N TYR 137.A OH no hydrogen 2.992 N/A ILE 155.A N ASP 153.A OD1 no hydrogen 2.843 N/A LYS 156.A N ASP 153.A OD1 no hydrogen 3.050 N/A TYR 160.A N LYS 156.A O no hydrogen 3.202 N/A ARG 161.A N GLU 157.A O no hydrogen 3.013 N/A ARG 161.A NE GLU 173.A OE1 no hydrogen 3.326 N/A ASN 162.A N ASP 158.A O no hydrogen 3.188 N/A HIS 163.A N VAL 159.A O no hydrogen 2.988 N/A SER 164.A N TYR 160.A O no hydrogen 3.076 N/A SER 164.A OG GLU 149.A O no hydrogen 3.312 N/A ILE 165.A N GLN 142.A OE1 no hydrogen 3.058 N/A LEU 167.A N GLU 149.A O no hydrogen 3.032 N/A ALA 168.A N SER 164.A OG no hydrogen 3.222 N/A ASP 169.A N PHE 166.A O no hydrogen 2.939 N/A ILE 170.A N PHE 166.A O no hydrogen 3.104 N/A ASN 171.A N LEU 167.A O no hydrogen 2.989 N/A ASN 171.A ND2 HIS 108.A O no hydrogen 2.950 N/A GLN 172.A N ASP 169.A O no hydrogen 3.148 N/A GLN 172.A NE2 ASN 177.A O no hydrogen 2.892 N/A GLN 172.A NE2 ARG 231.A O no hydrogen 2.806 N/A GLU 173.A N ALA 168.A O no hydrogen 2.888 N/A ARG 174.A NH1 ARG 161.A O no hydrogen 2.751 N/A ARG 174.A NH1 SER 164.A O no hydrogen 2.722 N/A ARG 174.A NH2 SER 164.A O no hydrogen 3.249 N/A ASN 177.A N GLN 172.A OE1 no hydrogen 2.843 N/A SER 179.A OG ASN 177.A OD1 no hydrogen 2.712 N/A TYR 180.A N ASN 177.A O no hydrogen 3.260 N/A TYR 180.A N ASN 177.A OD1 no hydrogen 3.345 N/A TYR 180.A OH ASP 169.A OD2 no hydrogen 2.498 N/A LYS 181.A N ASN 177.A O no hydrogen 3.457 N/A LYS 181.A NZ ASP 230.A O no hydrogen 3.067 N/A LYS 182.A N GLU 178.A O no hydrogen 2.901 N/A ASN 183.A N SER 179.A O no hydrogen 2.877 N/A ASN 183.A ND2 GLN 92.A O no hydrogen 2.872 N/A LEU 184.A N TYR 180.A O no hydrogen 2.985 N/A LEU 186.A N LEU 184.A O no hydrogen 3.215 N/A LYS 187.A N ILE 99.A O no hydrogen 2.788 N/A PHE 189.A N GLN 241.A O no hydrogen 2.856 N/A VAL 190.A N LEU 101.A O no hydrogen 2.902 N/A LYS 192.A N LEU 245.A O no hydrogen 2.793 N/A PHE 193.A N GLU 205.A OE1 no hydrogen 2.906 N/A LEU 194.A N THR 247.A O no hydrogen 2.893 N/A ASN 195.A N GLY 249.A O no hydrogen 3.101 N/A ASP 196.A N PHE 193.A O no hydrogen 3.151 N/A SER 197.A N ASP 250.A OD1 no hydrogen 2.670 N/A SER 197.A OG ASP 250.A OD1 no hydrogen 3.088 N/A SER 197.A OG ASP 250.A OD2 no hydrogen 2.774 N/A ILE 198.A N ASP 196.A OD1 no hydrogen 2.751 N/A VAL 199.A N ASP 196.A OD1 no hydrogen 3.042 N/A SER 204.A N PRO 201.A O no hydrogen 3.115 N/A SER 204.A OG GLY 110.A O no hydrogen 2.621 N/A GLU 205.A N VAL 202.A O no hydrogen 3.000 N/A TRP 206.A N ASP 203.A O no hydrogen 2.908 N/A TRP 206.A NE1 LEU 245.A O no hydrogen 2.913 N/A PHE 207.A N SER 204.A O no hydrogen 3.098 N/A GLY 208.A N ASP 203.A O no hydrogen 2.842 N/A PHE 209.A N ILE 219.A O no hydrogen 3.006 N/A TYR 210.A OH ASP 200.A OD1 no hydrogen 2.582 N/A ARG 211.A N GLU 217.A O no hydrogen 3.038 N/A ARG 211.A NE GLU 217.A OE2 no hydrogen 2.740 N/A ARG 211.A NH2 GLU 217.A OE2 no hydrogen 3.233 N/A GLY 213.A N PRO 154.A O no hydrogen 2.709 N/A GLN 214.A NE2 ARG 211.A O no hydrogen 2.789 N/A GLN 214.A NE2 GLU 217.A O no hydrogen 2.934 N/A LYS 216.A N GLN 214.A OE1 no hydrogen 2.877 N/A GLU 217.A N GLN 214.A OE1 no hydrogen 2.830 N/A THR 218.A OG1 ASP 203.A OD1 no hydrogen 3.138 N/A THR 218.A OG1 ASP 203.A OD2 no hydrogen 2.803 N/A ILE 219.A N PHE 209.A O no hydrogen 2.749 N/A GLN 222.A N GLN 222.A OE1 no hydrogen 2.886 N/A GLN 222.A NE2 ASP 237.A OD2 no hydrogen 2.962 N/A GLU 223.A N PRO 220.A O no hydrogen 3.012 N/A THR 224.A N LEU 221.A O no hydrogen 3.014 N/A THR 224.A OG1 LEU 221.A O no hydrogen 2.620 N/A TYR 227.A N THR 224.A O no hydrogen 3.200 N/A TYR 227.A OH ASP 237.A OD2 no hydrogen 2.595 N/A THR 228.A N THR 224.A O no hydrogen 3.041 N/A THR 228.A OG1 THR 224.A O no hydrogen 3.183 N/A GLN 229.A N SER 225.A O no hydrogen 2.988 N/A ARG 231.A N LEU 226.A O no hydrogen 3.017 N/A ARG 231.A NE GLN 229.A OE1 no hydrogen 3.438 N/A GLY 233.A N ASP 230.A O no hydrogen 3.441 N/A LYS 235.A N ASP 230.A OD1 no hydrogen 2.965 N/A GLU 236.A N ASP 230.A OD2 no hydrogen 3.227 N/A ASN 238.A N LYS 235.A O no hydrogen 3.012 N/A ALA 239.A N GLU 236.A O no hydrogen 3.077 N/A GLY 240.A N ASP 237.A O no hydrogen 3.472 N/A GLN 241.A NE2 LEU 186.A O no hydrogen 2.535 N/A VAL 243.A N PHE 189.A O no hydrogen 3.017 N/A THR 247.A N LYS 192.A O no hydrogen 2.950 N/A THR 247.A OG1 GLU 248.A O no hydrogen 3.316 N/A GLY 249.A N ASN 195.A OD1 no hydrogen 2.724 N/A ASP 250.A N GLN 253.A OE1 no hydrogen 3.265 N/A HIS 251.A N ASP 250.A OD1 no hydrogen 2.765 N/A HIS 251.A ND1 ASP 196.A OD2 no hydrogen 2.689 N/A HIS 251.A NE2 SER 81.A OG no hydrogen 2.614 N/A GLN 253.A N ASP 250.A O no hydrogen 3.189 N/A TRP 258.A N SER 255.A OG no hydrogen 3.167 N/A PHE 259.A N SER 255.A O no hydrogen 3.168 N/A TYR 260.A N GLU 256.A O no hydrogen 2.949 N/A ALA 261.A N GLU 257.A O no hydrogen 2.787 N/A HIS 262.A N TRP 258.A O no hydrogen 2.794 N/A ILE 263.A N PHE 259.A O no hydrogen 2.922 N/A ILE 264.A N PHE 259.A O no hydrogen 3.229 N/A PHE 266.A N ILE 263.A O no hydrogen 3.015 N/A LEU 267.A N ILE 264.A O no hydrogen 2.803 N/A