Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3clo_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): VAL 3.A N ASP 2.A OD1 no hydrogen 2.870 N/A GLN 5.A NE2 VAL 3.A O no hydrogen 2.964 N/A GLU 7.A N GLU 7.A OE1 no hydrogen 2.633 N/A ILE 8.A N LEU 4.A O no hydrogen 2.935 N/A ASP 9.A N GLN 5.A O no hydrogen 3.058 N/A GLU 10.A N LYS 6.A O no hydrogen 3.014 N/A VAL 11.A N GLU 7.A O no hydrogen 3.207 N/A TYR 12.A N ILE 8.A O no hydrogen 3.033 N/A ALA 13.A N ASP 9.A O no hydrogen 2.969 N/A THR 14.A N VAL 11.A O no hydrogen 3.012 N/A THR 14.A OG1 VAL 11.A O no hydrogen 2.563 N/A HIS 15.A N TYR 12.A O no hydrogen 3.058 N/A HIS 15.A NE2 PHE 108.A O no hydrogen 2.832 N/A GLU 20.A N THR 17.A O no hydrogen 3.061 N/A GLY 25.A N ASP 23.A OD1 no hydrogen 2.956 N/A ILE 26.A N ASP 23.A O no hydrogen 3.278 N/A GLU 28.A N ASN 24.A O no hydrogen 3.109 N/A GLN 29.A N GLY 25.A O no hydrogen 3.196 N/A HIS 30.A N ILE 26.A O no hydrogen 3.349 N/A HIS 30.A NE2 GLN 140.A OE1 no hydrogen 2.799 N/A GLN 31.A N VAL 27.A O no hydrogen 2.996 N/A GLN 32.A N GLU 28.A O no hydrogen 3.063 N/A PHE 33.A N GLN 29.A O no hydrogen 3.094 N/A VAL 34.A N HIS 30.A O no hydrogen 2.971 N/A ARG 35.A N GLN 31.A O no hydrogen 3.119 N/A SER 36.A N GLN 32.A O no hydrogen 3.140 N/A SER 36.A OG GLN 32.A O no hydrogen 3.397 N/A LEU 37.A N PHE 33.A O no hydrogen 2.893 N/A THR 38.A N VAL 34.A O no hydrogen 3.127 N/A THR 38.A OG1 VAL 34.A O no hydrogen 3.480 N/A THR 38.A OG1 ARG 35.A O no hydrogen 2.694 N/A GLU 39.A N ARG 35.A O no hydrogen 3.257 N/A VAL 40.A N LEU 37.A O no hydrogen 2.898 N/A ASN 41.A N LEU 37.A O no hydrogen 3.008 N/A GLY 42.A N THR 38.A O no hydrogen 2.820 N/A GLY 43.A N ASN 41.A OD1 no hydrogen 2.986 N/A CYS 44.A N TYR 154.A O no hydrogen 3.058 N/A CYS 44.A SG THR 58.A O no hydrogen 3.502 N/A ALA 45.A N THR 58.A O no hydrogen 2.919 N/A VAL 46.A N CYS 152.A O no hydrogen 2.958 N/A ILE 47.A N TYR 56.A O no hydrogen 2.985 N/A SER 48.A N ILE 150.A O no hydrogen 2.825 N/A ASP 49.A N LYS 54.A O no hydrogen 2.901 N/A LEU 50.A N TRP 148.A O no hydrogen 2.922 N/A SER 51.A N ASP 49.A OD1 no hydrogen 2.938 N/A SER 51.A OG ASP 49.A OD1 no hydrogen 2.571 N/A ASN 52.A ND2 TYR 56.A OH no hydrogen 3.211 N/A ARG 53.A NE LEU 50.A O no hydrogen 3.370 N/A LYS 54.A N ASN 52.A OD1 no hydrogen 3.139 N/A SER 55.A N ILE 78.A O no hydrogen 3.028 N/A SER 55.A OG SER 80.A O no hydrogen 2.706 N/A TYR 56.A N ILE 47.A O no hydrogen 2.888 N/A TYR 56.A OH ASP 49.A OD2 no hydrogen 2.888 N/A VAL 57.A N SER 76.A O no hydrogen 3.057 N/A THR 58.A N ALA 45.A O no hydrogen 2.818 N/A HIS 60.A N GLY 43.A O no hydrogen 2.939 N/A TRP 62.A N HIS 60.A ND1 no hydrogen 3.123 N/A ALA 63.A N HIS 60.A O no hydrogen 2.985 N/A ASN 64.A N TRP 62.A O no hydrogen 2.837 N/A LEU 66.A N ALA 63.A O no hydrogen 3.197 N/A GLY 67.A N ASN 64.A O no hydrogen 3.087 N/A THR 69.A N GLU 72.A OE1 no hydrogen 2.862 N/A ALA 73.A N THR 69.A O no hydrogen 3.215 N/A ALA 73.A N PRO 70.A O no hydrogen 3.323 N/A ALA 74.A N PRO 70.A O no hydrogen 3.226 N/A ILE 78.A N SER 55.A O no hydrogen 2.679 N/A CYS 84.A SG.A GLU 72.A O no hydrogen 3.830 N/A ILE 85.A N GLU 82.A O no hydrogen 3.116 N/A ARG 87.A N ASP 83.A O no hydrogen 3.375 N/A ARG 88.A N ILE 85.A O no hydrogen 3.084 N/A ARG 88.A NE LEU 66.A O no hydrogen 3.113 N/A ILE 89.A N TYR 86.A O no hydrogen 3.202 N/A HIS 90.A N ARG 124.A O no hydrogen 2.953 N/A GLU 92.A N HIS 90.A ND1 no hydrogen 3.124 N/A LEU 94.A N HIS 90.A O no hydrogen 2.919 N/A VAL 95.A N PRO 91.A O no hydrogen 3.448 N/A LYS 97.A N ASP 93.A O no hydrogen 2.894 N/A LYS 97.A NZ GLU 100.A OE2 no hydrogen 2.696 N/A LYS 97.A NZ ASN 135.A OD1 no hydrogen 2.811 N/A LYS 97.A NZ TYR 154.A OH no hydrogen 3.422 N/A ARG 98.A N LEU 94.A O no hydrogen 3.090 N/A ARG 98.A NE ASP 2.A OD1 no hydrogen 2.873 N/A ARG 98.A NH1 GLU 100.A OE1 no hydrogen 2.996 N/A ARG 98.A NH1 GLU 100.A OE2 no hydrogen 3.479 N/A ARG 98.A NH2 ASP 2.A OD2 no hydrogen 2.898 N/A LEU 99.A N VAL 95.A O no hydrogen 3.118 N/A TYR 101.A N ARG 98.A O no hydrogen 2.874 N/A LYS 102.A N LEU 99.A O no hydrogen 3.067 N/A LYS 102.A NZ GLU 185.A OE2 no hydrogen 2.701 N/A PHE 104.A N GLU 100.A O no hydrogen 2.826 N/A GLN 105.A N TYR 101.A O no hydrogen 2.960 N/A LYS 106.A N LYS 102.A O no hydrogen 3.054 N/A THR 107.A N PHE 103.A O no hydrogen 2.907 N/A THR 107.A OG1 PHE 103.A O no hydrogen 2.813 N/A THR 107.A OG1 PHE 104.A O no hydrogen 3.409 N/A PHE 108.A N PHE 104.A O no hydrogen 2.873 N/A SER 109.A N LYS 106.A O no hydrogen 3.440 N/A GLU 113.A N SER 110.A OG no hydrogen 3.239 N/A ARG 114.A N SER 110.A O no hydrogen 3.018 N/A ARG 114.A NE THR 107.A O no hydrogen 3.203 N/A ARG 114.A NH1 ASN 141.A OD1 no hydrogen 2.893 N/A ARG 114.A NH1 GLY 145.A O no hydrogen 3.024 N/A ARG 114.A NH2 GLY 145.A O no hydrogen 3.229 N/A LYS 116.A N GLU 113.A O no hydrogen 2.940 N/A LYS 116.A NZ GLU 113.A OE2 no hydrogen 2.963 N/A LYS 116.A NZ GLU 173.A OE1 no hydrogen 2.870 N/A ARG 118.A N THR 171.A O no hydrogen 2.907 N/A ARG 118.A NE GLN 138.A OE1 no hydrogen 2.969 N/A ARG 118.A NH2 GLN 138.A OE1 no hydrogen 3.388 N/A GLY 119.A N VAL 137.A O no hydrogen 2.884 N/A ARG 120.A N THR 169.A O no hydrogen 2.916 N/A ARG 120.A NH2 THR 171.A OG1 no hydrogen 2.938 N/A CYS 121.A N ASN 135.A O no hydrogen 3.128 N/A CYS 121.A SG ASN 135.A OD1 no hydrogen 3.322 N/A ARG 122.A N ILE 166.A O no hydrogen 2.746 N/A ARG 122.A NH1 ASP 159.A O no hydrogen 2.673 N/A ARG 122.A NH1 ARG 161.A O no hydrogen 2.941 N/A ARG 122.A NH2 ARG 161.A O no hydrogen 2.724 N/A ARG 122.A NH2 GLU 163.A OE2 no hydrogen 3.322 N/A LEU 123.A N ILE 133.A O no hydrogen 2.836 N/A ARG 124.A N ASP 93.A OD2 no hydrogen 2.828 N/A ARG 124.A NE ASP 93.A OD2 no hydrogen 3.006 N/A ARG 124.A NH2 ASP 93.A OD1 no hydrogen 2.998 N/A LYS 127.A N ASN 125.A OD1 no hydrogen 2.925 N/A GLY 128.A N ASN 125.A O no hydrogen 3.019 N/A VAL 129.A N ASN 125.A OD1 no hydrogen 3.039 N/A TYR 132.A N GLN 160.A OE1 no hydrogen 2.900 N/A ILE 133.A N LEU 123.A O no hydrogen 2.734 N/A ASP 134.A N SER 155.A O no hydrogen 2.734 N/A ASN 135.A N CYS 121.A O no hydrogen 2.946 N/A ASN 135.A ND2 LEU 153.A O no hydrogen 3.129 N/A LEU 136.A N LEU 153.A O no hydrogen 2.985 N/A VAL 137.A N GLY 119.A O no hydrogen 2.791 N/A GLN 138.A N PHE 151.A O no hydrogen 2.948 N/A GLN 140.A NE2 ASN 141.A O no hydrogen 3.180 N/A ASN 141.A ND2 PRO 111.A O no hydrogen 2.837 N/A THR 142.A N ASN 146.A O no hydrogen 2.721 N/A THR 142.A OG1 GLU 20.A OE1 no hydrogen 3.334 N/A THR 142.A OG1 GLU 20.A OE2 no hydrogen 2.629 N/A THR 142.A OG1 ASN 146.A O no hydrogen 3.489 N/A ALA 144.A N GLU 20.A OE1 no hydrogen 3.152 N/A GLY 145.A N THR 142.A O no hydrogen 2.992 N/A ASN 146.A N THR 142.A OG1 no hydrogen 3.027 N/A ASN 146.A ND2 GLU 20.A OE2 no hydrogen 2.945 N/A VAL 147.A N HIS 15.A ND1 no hydrogen 3.054 N/A TRP 148.A N GLN 140.A O no hydrogen 2.863 N/A LEU 149.A N GLN 140.A O no hydrogen 3.042 N/A ILE 150.A N SER 48.A O no hydrogen 2.872 N/A PHE 151.A N GLN 138.A O no hydrogen 2.856 N/A CYS 152.A N VAL 46.A O no hydrogen 2.803 N/A LEU 153.A N LEU 136.A O no hydrogen 3.005 N/A TYR 154.A N CYS 44.A O no hydrogen 2.854 N/A SER 155.A N ASP 134.A O no hydrogen 3.119 N/A SER 157.A N TYR 132.A O no hydrogen 2.940 N/A SER 157.A OG ASP 134.A OD1 no hydrogen 2.830 N/A SER 157.A OG ASP 134.A OD2 no hydrogen 3.522 N/A SER 157.A OG ASP 159.A O no hydrogen 3.405 N/A ASP 159.A N SER 157.A OG no hydrogen 3.016 N/A GLN 160.A NE2 TYR 132.A O no hydrogen 3.072 N/A GLN 160.A NE2 SER 157.A O no hydrogen 2.731 N/A ARG 161.A N ASP 159.A OD1 no hydrogen 2.948 N/A ARG 161.A NE ASP 159.A OD1 no hydrogen 2.940 N/A ARG 161.A NH2 ASP 159.A OD2 no hydrogen 3.029 N/A ILE 166.A N GLU 96.A OE1 no hydrogen 3.030 N/A THR 169.A N ARG 120.A O no hydrogen 2.799 N/A ILE 170.A N GLU 178.A O no hydrogen 2.858 N/A THR 171.A N ARG 118.A O no hydrogen 2.876 N/A GLN 172.A N GLU 176.A O no hydrogen 2.729 N/A ARG 174.A N GLN 172.A OE1 no hydrogen 2.924 N/A GLU 176.A N GLN 172.A O no hydrogen 3.045 N/A GLU 178.A N ILE 170.A O no hydrogen 2.824 N/A LEU 180.A N ALA 168.A O no hydrogen 2.942 N/A GLU 185.A N GLU 185.A OE1 no hydrogen 2.757 N/A HIS 186.A N LEU 182.A O no hydrogen 2.949 N/A ARG 187.A N SER 183.A O no hydrogen 3.116 N/A ASN 188.A N GLU 185.A O no hydrogen 3.012 N/A ILE 189.A N HIS 186.A O no hydrogen 3.431 N/A SER 191.A N GLU 194.A OE1 no hydrogen 3.019 N/A ARG 193.A NE GLU 196.A OE2 no hydrogen 3.036 N/A ARG 193.A NH2 GLU 196.A OE2 no hydrogen 3.181 N/A GLU 194.A N SER 191.A OG no hydrogen 2.960 N/A LYS 195.A N SER 191.A O no hydrogen 2.929 N/A LYS 195.A NZ ARG 187.A O no hydrogen 2.714 N/A LYS 195.A NZ GLU 192.A OE2 no hydrogen 2.835 N/A GLU 196.A N GLU 192.A O no hydrogen 2.947 N/A ILE 197.A N ARG 193.A O no hydrogen 2.980 N/A LEU 198.A N GLU 194.A O no hydrogen 3.024 N/A ARG 199.A N LYS 195.A O no hydrogen 3.011 N/A ARG 199.A NH2 LEU 249.A O no hydrogen 2.817 N/A CYS 200.A N GLU 196.A O no hydrogen 3.132 N/A CYS 200.A SG GLU 196.A O no hydrogen 3.467 N/A ILE 201.A N ILE 197.A O no hydrogen 3.032 N/A ARG 202.A N LEU 198.A O no hydrogen 2.910 N/A ARG 202.A NH1 GLU 245.A OE2 no hydrogen 3.487 N/A LYS 203.A N ARG 199.A O no hydrogen 2.933 N/A GLY 204.A N ILE 201.A O no hydrogen 2.747 N/A LEU 205.A N CYS 200.A O no hydrogen 2.966 N/A SER 206.A N GLU 209.A OE1 no hydrogen 2.984 N/A SER 207.A OG ASN 222.A OD1 no hydrogen 2.928 N/A GLU 209.A N SER 206.A OG no hydrogen 3.268 N/A ILE 210.A N SER 206.A O no hydrogen 2.871 N/A ALA 211.A N SER 207.A O no hydrogen 2.761 N/A ALA 212.A N LYS 208.A O no hydrogen 3.070 N/A THR 213.A N GLU 209.A O no hydrogen 3.100 N/A THR 213.A OG1 GLU 209.A O no hydrogen 2.604 N/A LEU 214.A N ILE 210.A O no hydrogen 2.959 N/A ILE 216.A N ALA 211.A O no hydrogen 3.164 N/A SER 217.A OG THR 220.A OG1 no hydrogen 2.907 N/A THR 220.A N SER 217.A OG no hydrogen 3.182 N/A THR 220.A OG1 SER 217.A OG no hydrogen 2.907 N/A VAL 221.A N SER 217.A O no hydrogen 2.945 N/A ASN 222.A N VAL 218.A O no hydrogen 2.822 N/A ARG 223.A N ASN 219.A O no hydrogen 2.976 N/A ARG 223.A NE ASN 219.A OD1 no hydrogen 2.897 N/A HIS 224.A N THR 220.A O no hydrogen 3.033 N/A ARG 225.A N VAL 221.A O no hydrogen 2.943 N/A ARG 225.A NH2 SER 237.A OG no hydrogen 3.038 N/A GLN 226.A N ASN 222.A O no hydrogen 3.074 N/A GLN 226.A NE2 GLU 230.A OE2 no hydrogen 3.352 N/A ASN 227.A N ARG 223.A O no hydrogen 2.949 N/A ILE 228.A N HIS 224.A O no hydrogen 2.904 N/A LEU 229.A N ARG 225.A O no hydrogen 3.029 N/A GLU 230.A N GLN 226.A O no hydrogen 3.171 N/A LYS 231.A N ASN 227.A O no hydrogen 2.934 N/A LYS 231.A NZ ILE 189.A O no hydrogen 2.922 N/A LYS 231.A NZ GLU 194.A OE1 no hydrogen 2.672 N/A LYS 231.A NZ GLU 194.A OE2 no hydrogen 3.444 N/A LEU 232.A N ILE 228.A O no hydrogen 3.074 N/A SER 233.A N GLU 230.A O no hydrogen 3.248 N/A VAL 234.A N LEU 229.A O no hydrogen 3.054 N/A GLY 235.A N GLU 239.A OE1 no hydrogen 2.976 N/A GLU 239.A N ASN 236.A OD1 no hydrogen 2.863 N/A ALA 240.A N ASN 236.A O no hydrogen 3.032 N/A CYS 241.A N SER 237.A O no hydrogen 3.084 N/A CYS 241.A SG LEU 198.A O no hydrogen 3.860 N/A CYS 241.A SG SER 237.A O no hydrogen 3.372 N/A ARG 242.A N ILE 238.A O no hydrogen 3.092 N/A ALA 243.A N GLU 239.A O no hydrogen 2.887 N/A ALA 244.A N ALA 240.A O no hydrogen 2.918 N/A GLU 245.A N CYS 241.A O no hydrogen 3.126 N/A LEU 246.A N ARG 242.A O no hydrogen 2.995 N/A LYS 247.A NZ GLU 245.A O no hydrogen 3.274 N/A LEU 248.A N ALA 244.A O no hydrogen 2.916 N/A