Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3t0i_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): CYS 5.A SG PHE 1.A O no hydrogen 3.674 N/A TYR 7.A N ILE 4.A O no hydrogen 3.299 N/A TYR 7.A OH GLN 197.A OE1 no hydrogen 3.038 N/A PHE 8.A N ILE 4.A O no hydrogen 3.354 N/A LYS 9.A N CYS 5.A O no hydrogen 3.173 N/A LYS 9.A NZ ASP 68.A OD2 no hydrogen 3.023 N/A LEU 10.A N TYR 7.A O no hydrogen 3.250 N/A LEU 11.A N PHE 8.A O no hydrogen 2.850 N/A ARG 13.A NH2 GLU 109.A OE2 no hydrogen 2.920 N/A GLN 14.A NE2 PHE 8.A O no hydrogen 3.055 N/A GLN 14.A NE2 LEU 11.A O no hydrogen 3.030 N/A GLN 14.A NE2 THR 45.A OG1 no hydrogen 3.033 N/A GLY 17.A N CYS 188.A O no hydrogen 3.099 N/A SER 18.A OG GLU 20.A OE1 no hydrogen 3.561 N/A ALA 21.A N SER 18.A OG no hydrogen 2.942 N/A THR 22.A N SER 18.A O no hydrogen 3.061 N/A THR 22.A OG1 SER 18.A O no hydrogen 3.541 N/A THR 22.A OG1 GLU 109.A OE1 no hydrogen 2.720 N/A ARG 23.A N PRO 19.A O no hydrogen 2.928 N/A LYS 24.A N GLU 20.A O no hydrogen 2.780 N/A ALA 25.A N ALA 21.A O no hydrogen 2.992 N/A VAL 26.A N THR 22.A O no hydrogen 3.107 N/A SER 27.A N ARG 23.A O no hydrogen 3.107 N/A SER 27.A N LYS 24.A O no hydrogen 3.296 N/A SER 27.A OG LYS 24.A O no hydrogen 2.694 N/A PHE 28.A N ALA 25.A O no hydrogen 3.342 N/A ILE 29.A N VAL 26.A O no hydrogen 3.081 N/A ASP 35.A N THR 33.A OG1 no hydrogen 3.297 N/A ALA 36.A N THR 33.A O no hydrogen 3.003 N/A LYS 37.A N ASP 104.A OD2 no hydrogen 3.018 N/A ILE 38.A N GLN 59.A O no hydrogen 2.822 N/A ALA 39.A N LEU 105.A O no hydrogen 3.175 N/A ASP 40.A N THR 61.A O no hydrogen 2.980 N/A ILE 41.A N TRP 107.A O no hydrogen 2.711 N/A GLY 42.A N ILE 63.A O no hydrogen 2.639 N/A CYS 43.A N ILE 63.A O no hydrogen 3.259 N/A CYS 43.A SG GLY 44.A O no hydrogen 3.615 N/A GLY 44.A N ASP 64.A OD1 no hydrogen 3.183 N/A THR 45.A N GLN 14.A OE1 no hydrogen 2.915 N/A THR 45.A OG1 GLN 14.A OE1 no hydrogen 2.880 N/A GLY 46.A N CYS 43.A O no hydrogen 2.849 N/A GLN 48.A NE2 ASP 40.A OD2 no hydrogen 2.671 N/A GLN 48.A NE2 CYS 43.A O no hydrogen 3.087 N/A THR 49.A OG1 ASP 40.A OD2 no hydrogen 2.520 N/A LEU 50.A N GLY 46.A O no hydrogen 3.153 N/A LEU 52.A N GLN 48.A O no hydrogen 3.001 N/A ALA 53.A N THR 49.A O no hydrogen 2.938 N/A ASP 54.A N LEU 50.A O no hydrogen 3.182 N/A ASP 54.A N PHE 51.A O no hydrogen 2.925 N/A TYR 55.A N LEU 52.A O no hydrogen 2.861 N/A VAL 56.A N LEU 52.A O no hydrogen 2.989 N/A GLN 59.A N ALA 36.A O no hydrogen 2.798 N/A GLN 59.A NE2 ASP 34.A O no hydrogen 2.716 N/A ILE 60.A N ARG 85.A O no hydrogen 2.727 N/A THR 61.A N ILE 38.A O no hydrogen 2.826 N/A GLY 62.A N LYS 87.A O no hydrogen 2.705 N/A ILE 63.A N ASP 40.A O no hydrogen 2.968 N/A ASP 64.A N ILE 89.A O no hydrogen 3.418 N/A PHE 66.A N ASP 64.A OD2 no hydrogen 3.135 N/A PHE 69.A N PHE 66.A O no hydrogen 2.949 N/A ILE 70.A N PHE 66.A O no hydrogen 3.458 N/A GLU 71.A N PRO 67.A O no hydrogen 2.986 N/A ILE 72.A N ASP 68.A O no hydrogen 3.369 N/A PHE 73.A N PHE 69.A O no hydrogen 2.856 N/A ASN 74.A N ILE 70.A O no hydrogen 2.873 N/A ASN 74.A ND2 GLY 88.A O no hydrogen 3.187 N/A GLU 75.A N GLU 71.A O no hydrogen 3.059 N/A ASN 76.A N ILE 72.A O no hydrogen 2.752 N/A ASN 76.A ND2 THR 45.A O no hydrogen 3.635 N/A ALA 77.A N PHE 73.A O no hydrogen 3.050 N/A VAL 78.A N ASN 74.A O no hydrogen 3.248 N/A LYS 79.A N GLU 75.A O no hydrogen 3.193 N/A LYS 79.A NZ GLU 75.A O no hydrogen 3.157 N/A ALA 80.A N ASN 76.A O no hydrogen 2.793 N/A ASN 81.A N VAL 78.A O no hydrogen 2.797 N/A CYS 82.A N ALA 77.A O no hydrogen 2.993 N/A CYS 82.A SG ALA 77.A O no hydrogen 3.877 N/A ARG 85.A N CYS 82.A O no hydrogen 3.301 N/A ARG 85.A NE GLY 58.A O no hydrogen 3.028 N/A ARG 85.A NH1 ALA 53.A O no hydrogen 2.950 N/A ARG 85.A NH2 VAL 56.A O no hydrogen 2.834 N/A ARG 85.A NH2 GLY 58.A O no hydrogen 3.120 N/A VAL 86.A N CYS 82.A O no hydrogen 2.853 N/A LYS 87.A N ILE 60.A O no hydrogen 3.058 N/A LYS 87.A NZ ALA 83.A O no hydrogen 3.192 N/A LYS 87.A NZ ASP 84.A O no hydrogen 3.553 N/A GLY 88.A N ASN 74.A OD1 no hydrogen 2.740 N/A ILE 89.A N GLY 62.A O no hydrogen 2.854 N/A GLY 91.A N ASP 64.A O no hydrogen 2.852 N/A SER 92.A OG ASP 94.A OD1 no hydrogen 2.703 N/A ASN 95.A N SER 92.A O no hydrogen 3.160 N/A GLN 99.A N GLU 102.A OE1 no hydrogen 2.900 N/A GLU 101.A N LYS 126.A O no hydrogen 2.926 N/A GLU 102.A N TYR 127.A O no hydrogen 3.251 N/A LEU 103.A N TYR 127.A O no hydrogen 2.955 N/A ASP 104.A N LYS 37.A O no hydrogen 2.904 N/A ILE 106.A N PHE 133.A O no hydrogen 2.775 N/A TRP 107.A N ALA 39.A O no hydrogen 2.693 N/A TRP 107.A NE1 GLU 109.A OE1 no hydrogen 3.012 N/A SER 108.A N ALA 135.A O no hydrogen 3.068 N/A SER 108.A OG ILE 41.A O no hydrogen 2.824 N/A GLY 110.A N SER 137.A O no hydrogen 3.150 N/A GLY 110.A N SER 137.A OG no hydrogen 2.875 N/A ASN 114.A N ALA 111.A O no hydrogen 3.020 N/A ILE 115.A N ILE 112.A O no hydrogen 2.978 N/A GLY 116.A N ILE 112.A O no hydrogen 2.950 N/A GLY 116.A N TYR 113.A O no hydrogen 3.314 N/A PHE 117.A N TYR 158.A OH no hydrogen 3.188 N/A GLU 118.A N GLU 160.A OE2 no hydrogen 3.356 N/A ARG 119.A NE GLU 123.A OE2 no hydrogen 2.629 N/A GLY 120.A N GLY 116.A O no hydrogen 2.871 N/A MET 121.A N PHE 117.A O no hydrogen 2.953 N/A ASN 122.A N GLU 118.A O no hydrogen 3.154 N/A GLU 123.A N ARG 119.A O no hydrogen 2.969 N/A TRP 124.A N GLY 120.A O no hydrogen 2.907 N/A TRP 124.A NE1 MET 93.A O no hydrogen 3.342 N/A SER 125.A N ASN 122.A O no hydrogen 3.368 N/A TYR 127.A N TRP 124.A O no hydrogen 3.195 N/A LEU 128.A N SER 125.A O no hydrogen 3.157 N/A LYS 129.A N LEU 103.A O no hydrogen 2.823 N/A GLY 131.A N LYS 244.A O no hydrogen 2.932 N/A GLY 132.A N LYS 129.A O no hydrogen 2.676 N/A PHE 133.A N ASP 104.A O no hydrogen 2.901 N/A ILE 134.A N GLY 242.A O no hydrogen 2.852 N/A ALA 135.A N ILE 106.A O no hydrogen 2.778 N/A VAL 136.A N TYR 240.A O no hydrogen 3.017 N/A SER 137.A N SER 108.A O no hydrogen 3.083 N/A GLU 138.A N VAL 238.A O no hydrogen 2.739 N/A SER 140.A N GLY 236.A O no hydrogen 2.931 N/A SER 140.A OG TYR 240.A OH no hydrogen 3.025 N/A TRP 141.A N SER 162.A O no hydrogen 2.777 N/A PHE 142.A N TYR 234.A O no hydrogen 3.225 N/A THR 143.A OG1 GLU 145.A O no hydrogen 2.959 N/A ARG 146.A NE GLU 151.A OE1 no hydrogen 2.828 N/A GLU 151.A N PRO 147.A O no hydrogen 3.318 N/A ASP 152.A N ALA 148.A O no hydrogen 2.742 N/A PHE 153.A N GLU 149.A O no hydrogen 3.234 N/A TRP 154.A N ILE 150.A O no hydrogen 3.108 N/A MET 155.A N GLU 151.A O no hydrogen 2.824 N/A ASP 156.A N PHE 153.A O no hydrogen 3.211 N/A ALA 157.A N PHE 153.A O no hydrogen 2.887 N/A TYR 158.A N TRP 154.A O no hydrogen 2.662 N/A TYR 158.A OH GLU 138.A OE1 no hydrogen 2.433 N/A ILE 161.A N TYR 158.A O no hydrogen 3.156 N/A SER 162.A OG VAL 163.A O no hydrogen 3.387 N/A THR 166.A N VAL 163.A O no hydrogen 3.132 N/A CYS 167.A N VAL 163.A O no hydrogen 3.345 N/A CYS 167.A SG SER 140.A OG no hydrogen 3.770 N/A CYS 167.A SG SER 162.A OG no hydrogen 3.601 N/A ILE 168.A N ILE 164.A O no hydrogen 3.096 N/A ASP 169.A N PRO 165.A O no hydrogen 2.987 N/A LYS 170.A N THR 166.A O no hydrogen 3.126 N/A LYS 170.A NZ GLU 160.A OE2 no hydrogen 2.841 N/A MET 171.A N CYS 167.A O no hydrogen 3.325 N/A MET 171.A N ILE 168.A O no hydrogen 3.069 N/A GLU 172.A N ILE 168.A O no hydrogen 3.239 N/A ARG 173.A N ASP 169.A O no hydrogen 3.125 N/A ARG 173.A NE ASP 169.A OD2 no hydrogen 2.637 N/A ALA 174.A N LYS 170.A O no hydrogen 2.909 N/A GLY 175.A N GLU 172.A O no hydrogen 2.736 N/A TYR 176.A N MET 171.A O no hydrogen 2.911 N/A TYR 176.A OH MET 121.A O no hydrogen 2.874 N/A THR 177.A N GLN 243.A O no hydrogen 2.812 N/A THR 179.A N THR 177.A O no hydrogen 2.664 N/A THR 179.A OG1 THR 177.A O no hydrogen 3.231 N/A ALA 180.A N ILE 241.A O no hydrogen 3.206 N/A PHE 182.A N PHE 239.A O no hydrogen 3.058 N/A LEU 184.A N TYR 237.A O no hydrogen 3.077 N/A CYS 188.A N PRO 185.A O no hydrogen 2.995 N/A CYS 188.A SG SER 18.A OG no hydrogen 3.573 N/A CYS 188.A SG ASN 187.A OD1 no hydrogen 3.976 N/A TRP 189.A N GLU 186.A O no hydrogen 2.751 N/A THR 190.A N GLU 186.A O no hydrogen 3.169 N/A HIS 192.A N ASN 187.A O no hydrogen 3.176 N/A PHE 194.A N TRP 189.A O no hydrogen 2.653 N/A ALA 195.A N THR 190.A O no hydrogen 2.647 N/A GLN 197.A N PHE 194.A O no hydrogen 2.988 N/A GLN 197.A NE2 TYR 193.A O no hydrogen 2.872 N/A ASP 198.A N PHE 194.A O no hydrogen 3.233 N/A ASP 198.A N ALA 195.A O no hydrogen 2.942 N/A GLU 199.A N ALA 195.A O no hydrogen 3.308 N/A ARG 201.A N ASP 198.A O no hydrogen 3.006 N/A ARG 201.A NE ASP 198.A OD1 no hydrogen 3.265 N/A ARG 201.A NH2 ASP 198.A OD1 no hydrogen 3.252 N/A THR 203.A OG1 VAL 200.A O no hydrogen 3.083 N/A PHE 204.A N VAL 200.A O no hydrogen 3.063 N/A MET 205.A N ARG 201.A O no hydrogen 2.991 N/A LYS 206.A N GLU 202.A O no hydrogen 3.081 N/A LYS 206.A NZ GLU 202.A O no hydrogen 3.531 N/A GLU 207.A N THR 203.A O no hydrogen 3.170 N/A HIS 208.A N PHE 204.A O no hydrogen 3.009 N/A ASN 211.A N HIS 208.A O no hydrogen 2.951 N/A ASN 211.A ND2 THR 213.A OG1 no hydrogen 3.094 N/A LYS 212.A NZ ASP 216.A OD1 no hydrogen 3.560 N/A LYS 212.A NZ ASP 216.A OD2 no hydrogen 2.800 N/A MET 215.A N ASN 211.A O no hydrogen 2.886 N/A ASP 216.A N LYS 212.A O no hydrogen 2.808 N/A PHE 217.A N THR 213.A O no hydrogen 3.130 N/A MET 218.A N ALA 214.A O no hydrogen 3.188 N/A LYS 219.A N MET 215.A O no hydrogen 3.079 N/A GLY 220.A N ASP 216.A O no hydrogen 3.046 N/A GLN 221.A N PHE 217.A O no hydrogen 3.024 N/A GLN 221.A NE2 GLN 197.A OE1 no hydrogen 2.828 N/A GLN 222.A N MET 218.A O no hydrogen 2.910 N/A TYR 223.A N LYS 219.A O no hydrogen 2.822 N/A TYR 223.A OH GLU 149.A OE2 no hydrogen 3.055 N/A GLU 224.A N GLY 220.A O no hydrogen 2.970 N/A GLU 224.A N GLN 221.A O no hydrogen 3.247 N/A ARG 225.A N GLN 221.A O no hydrogen 3.353 N/A SER 226.A N GLN 222.A O no hydrogen 3.114 N/A LEU 227.A N TYR 223.A O no hydrogen 2.980 N/A TYR 228.A N GLU 224.A O no hydrogen 3.000 N/A SER 229.A N ARG 225.A O no hydrogen 2.742 N/A LYS 230.A N LEU 227.A O no hydrogen 3.316 N/A LYS 230.A NZ GLU 149.A OE1 no hydrogen 3.324 N/A TYR 231.A N LEU 227.A O no hydrogen 2.777 N/A TYR 231.A OH GLU 149.A OE1 no hydrogen 2.700 N/A LYS 232.A N TYR 228.A O no hydrogen 2.987 N/A LYS 232.A NZ GLU 186.A OE2 no hydrogen 3.318 N/A TYR 234.A N TYR 231.A O no hydrogen 2.633 N/A GLY 236.A N SER 140.A O no hydrogen 3.300 N/A VAL 238.A N GLU 138.A O no hydrogen 2.691 N/A PHE 239.A N PHE 182.A O no hydrogen 2.884 N/A TYR 240.A N VAL 136.A O no hydrogen 2.753 N/A TYR 240.A OH SER 140.A OG no hydrogen 3.025 N/A ILE 241.A N ALA 180.A O no hydrogen 2.816 N/A GLY 242.A N ILE 134.A O no hydrogen 2.929 N/A GLN 243.A N THR 177.A O no hydrogen 3.123 N/A LYS 244.A N GLY 132.A O no hydrogen 2.889 N/A LYS 244.A NZ SER 125.A O no hydrogen 2.950 N/A LYS 244.A NZ LEU 128.A O no hydrogen 2.567 N/A ARG 245.A N GLY 175.A O no hydrogen 2.962 N/A