Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3tud_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): LEU 3.A N ILE 76.A O no hydrogen 2.866 N/A ARG 5.A NE GLU 80.A OE2 no hydrogen 2.707 N/A ARG 5.A NH1 LEU 8.A O no hydrogen 2.746 N/A ARG 5.A NH2 GLU 80.A OE2 no hydrogen 2.834 N/A LYS 6.A N ASP 4.A OD1 no hydrogen 3.385 N/A LEU 7.A N ASP 4.A O no hydrogen 2.917 N/A LEU 8.A N ARG 5.A O no hydrogen 2.885 N/A THR 9.A N TYR 27.A O no hydrogen 2.941 N/A GLU 11.A N LYS 25.A O no hydrogen 2.951 N/A LYS 13.A NZ GLU 14.A O no hydrogen 3.564 N/A LEU 15.A N VAL 23.A O no hydrogen 2.724 N/A GLY 16.A N VAL 23.A O no hydrogen 3.406 N/A THR 22.A N ILE 41.A O no hydrogen 3.172 N/A VAL 23.A N GLY 16.A O no hydrogen 2.963 N/A LYS 24.A N VAL 39.A O no hydrogen 2.951 N/A LYS 25.A NZ GLU 90.A OE1 no hydrogen 3.251 N/A GLY 26.A N VAL 37.A O no hydrogen 2.910 N/A TYR 27.A N THR 9.A O no hydrogen 2.880 N/A TYR 27.A OH GLU 11.A OE2 no hydrogen 2.707 N/A TYR 28.A N LYS 35.A O no hydrogen 2.774 N/A GLN 29.A N LEU 7.A O no hydrogen 2.912 N/A MET 30.A N VAL 33.A O no hydrogen 2.758 N/A LYS 32.A N MET 30.A O no hydrogen 2.648 N/A VAL 33.A N MET 30.A O no hydrogen 3.063 N/A LYS 35.A N TYR 28.A O no hydrogen 2.849 N/A VAL 37.A N GLY 26.A O no hydrogen 3.056 N/A ALA 38.A N MET 86.A O no hydrogen 2.747 N/A VAL 39.A N LYS 24.A O no hydrogen 2.739 N/A LYS 40.A N LEU 84.A O no hydrogen 2.948 N/A LYS 40.A NZ GLU 58.A OE1 no hydrogen 2.756 N/A LYS 40.A NZ GLU 58.A OE2 no hydrogen 3.539 N/A ILE 41.A N THR 22.A O no hydrogen 2.864 N/A LEU 42.A N TRP 82.A O no hydrogen 2.745 N/A LYS 43.A N PHE 20.A O no hydrogen 3.204 N/A LYS 43.A NZ GLY 18.A O no hydrogen 2.832 N/A ASN 44.A ND2 ASP 48.A O no hydrogen 2.978 N/A ASP 48.A N ASN 44.A OD1 no hydrogen 3.210 N/A LEU 51.A N ASP 48.A O no hydrogen 3.421 N/A LYS 52.A NZ PRO 49.A O no hydrogen 2.831 N/A LYS 52.A NZ ASP 53.A OD1 no hydrogen 3.101 N/A ASP 53.A N PRO 49.A O no hydrogen 3.354 N/A GLU 54.A N ALA 50.A O no hydrogen 3.039 N/A LEU 55.A N LEU 51.A O no hydrogen 3.280 N/A LEU 56.A N LYS 52.A O no hydrogen 2.943 N/A ALA 57.A N ASP 53.A O no hydrogen 2.868 N/A GLU 58.A N GLU 54.A O no hydrogen 2.875 N/A ALA 59.A N LEU 55.A O no hydrogen 3.080 N/A ASN 60.A N LEU 56.A O no hydrogen 3.160 N/A VAL 61.A N ALA 57.A O no hydrogen 2.831 N/A MET 62.A N GLU 58.A O no hydrogen 2.830 N/A GLN 63.A N ALA 59.A O no hydrogen 2.956 N/A GLN 64.A N ASN 60.A O no hydrogen 3.295 N/A GLN 64.A N VAL 61.A O no hydrogen 3.148 N/A GLN 64.A NE2 ASN 60.A O no hydrogen 3.282 N/A LEU 65.A N VAL 61.A O no hydrogen 3.172 N/A ASP 66.A N TYR 122.A OH no hydrogen 2.988 N/A TYR 69.A N ASN 67.A OD1 no hydrogen 2.796 N/A ILE 70.A N ASN 67.A O no hydrogen 3.459 N/A VAL 71.A N ILE 148.A O no hydrogen 2.802 N/A ARG 72.A N GLU 87.A OE1 no hydrogen 2.748 N/A ILE 74.A N VAL 85.A O no hydrogen 2.762 N/A GLY 75.A N VAL 85.A O no hydrogen 3.107 N/A ILE 76.A N VAL 1.A O no hydrogen 3.411 N/A CYS 77.A N MET 83.A O no hydrogen 2.792 N/A CYS 77.A SG LEU 3.A O no hydrogen 3.518 N/A ALA 79.A N SER 81.A O no hydrogen 3.080 N/A MET 83.A N CYS 77.A O no hydrogen 2.739 N/A LEU 84.A N LYS 40.A O no hydrogen 2.887 N/A VAL 85.A N GLY 75.A O no hydrogen 2.737 N/A MET 86.A N ALA 38.A O no hydrogen 2.884 N/A GLU 87.A N ARG 72.A O no hydrogen 3.137 N/A LEU 91.A N LEU 140.A O no hydrogen 2.865 N/A GLY 92.A N ALA 89.A O no hydrogen 3.376 N/A LEU 94.A N VAL 138.A O no hydrogen 2.633 N/A TYR 97.A N PRO 93.A O no hydrogen 3.131 N/A TYR 97.A OH GLN 143.A OE1 no hydrogen 2.620 N/A LEU 98.A N LEU 94.A O no hydrogen 3.092 N/A GLN 99.A N ASN 95.A O no hydrogen 3.009 N/A GLN 99.A NE2 GLY 189.A O no hydrogen 2.799 N/A GLN 100.A N LYS 96.A O no hydrogen 3.220 N/A GLN 100.A N TYR 97.A O no hydrogen 3.200 N/A ASN 101.A ND2 TYR 97.A O no hydrogen 2.793 N/A HIS 103.A NE2 ASN 101.A OD1 no hydrogen 2.936 N/A VAL 104.A N ASN 101.A O no hydrogen 3.065 N/A LYS 107.A NZ HIS 256.A NE2 no hydrogen 3.143 N/A ASN 108.A ND2 GLN 143.A O no hydrogen 2.891 N/A ILE 109.A N LYS 105.A O no hydrogen 3.048 N/A ILE 110.A N ASP 106.A O no hydrogen 3.073 N/A GLU 111.A N LYS 107.A O no hydrogen 3.355 N/A LEU 112.A N ASN 108.A O no hydrogen 3.222 N/A VAL 113.A N ILE 109.A O no hydrogen 3.117 N/A HIS 114.A N ILE 110.A O no hydrogen 2.983 N/A HIS 114.A NE2 GLU 243.A OE2 no hydrogen 2.824 N/A GLN 115.A N GLU 111.A O no hydrogen 3.111 N/A GLN 115.A NE2 HIS 144.A O no hydrogen 2.764 N/A VAL 116.A N LEU 112.A O no hydrogen 3.041 N/A SER 117.A N VAL 113.A O no hydrogen 2.839 N/A SER 117.A OG HIS 114.A O no hydrogen 2.539 N/A MET 118.A N HIS 114.A O no hydrogen 2.879 N/A GLY 119.A N GLN 115.A O no hydrogen 3.112 N/A MET 120.A N VAL 116.A O no hydrogen 2.948 N/A LYS 121.A N SER 117.A O no hydrogen 2.732 N/A TYR 122.A N MET 118.A O no hydrogen 3.025 N/A TYR 122.A OH GLN 64.A O no hydrogen 3.250 N/A LEU 123.A N GLY 119.A O no hydrogen 3.057 N/A GLU 124.A N MET 120.A O no hydrogen 2.866 N/A GLU 125.A N LYS 121.A O no hydrogen 2.997 N/A SER 126.A N TYR 122.A O no hydrogen 3.135 N/A SER 126.A OG TYR 122.A O no hydrogen 2.901 N/A ASN 127.A N GLU 124.A O no hydrogen 3.020 N/A PHE 128.A N LEU 123.A O no hydrogen 2.782 N/A HIS 130.A N ASP 174.A OD2 no hydrogen 2.769 N/A HIS 130.A NE2 SER 149.A O no hydrogen 2.763 N/A ARG 131.A N ASP 174.A OD1 no hydrogen 2.895 N/A ASP 132.A N HIS 130.A ND1 no hydrogen 3.043 N/A ALA 135.A N GLU 184.A OE1 no hydrogen 2.970 N/A ARG 136.A NH2 ASP 132.A OD1 no hydrogen 2.773 N/A ASN 137.A N ALA 134.A O no hydrogen 3.143 N/A ASN 137.A ND2 ASP 132.A O no hydrogen 2.809 N/A VAL 138.A N ALA 135.A O no hydrogen 3.012 N/A LEU 139.A N LYS 147.A O no hydrogen 2.953 N/A LEU 140.A N GLY 92.A O no hydrogen 2.902 N/A VAL 141.A N TYR 145.A O no hydrogen 2.864 N/A GLN 143.A NE2 ASN 108.A OD1 no hydrogen 3.289 N/A HIS 144.A N THR 142.A OG1 no hydrogen 3.176 N/A HIS 144.A ND1 GLU 111.A OE1 no hydrogen 2.836 N/A TYR 145.A N THR 142.A O no hydrogen 3.369 N/A TYR 145.A OH PRO 68.A O no hydrogen 2.694 N/A ALA 146.A N GLN 115.A OE1 no hydrogen 2.732 N/A LYS 147.A N LEU 139.A O no hydrogen 2.881 N/A LYS 147.A NZ PRO 68.A O no hydrogen 2.969 N/A LYS 147.A NZ ILE 70.A O no hydrogen 3.464 N/A LYS 147.A NZ GLU 87.A OE1 no hydrogen 2.688 N/A LYS 147.A NZ TYR 145.A OH no hydrogen 3.264 N/A ILE 148.A N TYR 69.A O no hydrogen 2.777 N/A SER 149.A N ASN 137.A O no hydrogen 2.896 N/A SER 149.A OG ASN 137.A O no hydrogen 2.974 N/A VAL 156.A N TRP 154.A O no hydrogen 2.897 N/A LYS 157.A NZ TYR 193.A O no hydrogen 3.032 N/A LYS 157.A NZ MET 196.A O no hydrogen 3.064 N/A TRP 158.A N PRO 155.A O no hydrogen 3.143 N/A TRP 158.A NE1 GLU 184.A OE1 no hydrogen 2.753 N/A TYR 159.A N VAL 156.A O no hydrogen 3.063 N/A GLU 162.A N GLU 162.A OE1 no hydrogen 2.918 N/A CYS 163.A N ALA 160.A O no hydrogen 3.027 N/A CYS 163.A SG LYS 168.A O no hydrogen 3.552 N/A ILE 164.A N ALA 160.A O no hydrogen 3.479 N/A ASN 165.A N PRO 161.A O no hydrogen 3.011 N/A TYR 166.A N GLU 162.A O no hydrogen 3.164 N/A LYS 168.A N GLU 162.A O no hydrogen 3.063 N/A SER 170.A N SER 173.A OG no hydrogen 2.879 N/A LYS 172.A NZ VAL 233.A O no hydrogen 3.290 N/A LYS 172.A NZ ARG 236.A O no hydrogen 2.829 N/A SER 173.A N SER 170.A O no hydrogen 3.045 N/A SER 173.A OG SER 170.A O no hydrogen 2.737 N/A ASP 174.A N SER 170.A O no hydrogen 3.130 N/A VAL 175.A N SER 171.A O no hydrogen 2.964 N/A TRP 176.A N LYS 172.A O no hydrogen 3.384 N/A SER 177.A N SER 173.A O no hydrogen 3.329 N/A SER 177.A OG TRP 158.A O no hydrogen 2.608 N/A SER 177.A OG SER 173.A O no hydrogen 3.561 N/A PHE 178.A N ASP 174.A O no hydrogen 2.955 N/A GLY 179.A N VAL 175.A O no hydrogen 3.124 N/A VAL 180.A N TRP 176.A O no hydrogen 3.171 N/A LEU 181.A N SER 177.A O no hydrogen 2.808 N/A MET 182.A N PHE 178.A O no hydrogen 2.766 N/A TRP 183.A N GLY 179.A O no hydrogen 3.096 N/A TRP 183.A NE1 GLY 212.A O no hydrogen 3.018 N/A GLU 184.A N VAL 180.A O no hydrogen 2.984 N/A ALA 185.A N LEU 181.A O no hydrogen 2.946 N/A PHE 186.A N MET 182.A O no hydrogen 3.036 N/A SER 187.A N TRP 183.A O no hydrogen 3.001 N/A SER 187.A OG TRP 183.A O no hydrogen 2.735 N/A TYR 188.A N ALA 185.A O no hydrogen 3.273 N/A TYR 188.A OH VAL 104.A O no hydrogen 2.455 N/A TYR 188.A OH ASP 106.A OD1 no hydrogen 3.095 N/A GLY 189.A N GLU 184.A O no hydrogen 2.782 N/A GLN 190.A N SER 187.A O no hydrogen 3.363 N/A MET 196.A N TYR 193.A O no hydrogen 2.969 N/A LYS 197.A N GLU 200.A OE2 no hydrogen 3.336 N/A VAL 201.A N LYS 197.A O no hydrogen 3.189 N/A THR 202.A N GLY 198.A O no hydrogen 3.142 N/A THR 202.A OG1 GLY 198.A O no hydrogen 3.302 N/A ALA 203.A N SER 199.A O no hydrogen 3.313 N/A MET 204.A N GLU 200.A O no hydrogen 3.062 N/A LEU 205.A N VAL 201.A O no hydrogen 3.027 N/A GLU 206.A N THR 202.A O no hydrogen 3.269 N/A LYS 207.A N MET 204.A O no hydrogen 3.130 N/A GLY 208.A N LEU 205.A O no hydrogen 3.095 N/A GLU 209.A N MET 204.A O no hydrogen 3.234 N/A ARG 210.A NE TRP 229.A O no hydrogen 3.113 N/A ARG 210.A NH1 LEU 205.A O no hydrogen 3.008 N/A ARG 210.A NH1 GLU 209.A O no hydrogen 2.916 N/A ARG 210.A NH2 TRP 229.A O no hydrogen 3.089 N/A CYS 213.A SG PRO 214.A O no hydrogen 3.561 N/A CYS 213.A SG CYS 217.A O no hydrogen 3.560 N/A CYS 217.A N PRO 214.A O no hydrogen 3.052 N/A CYS 217.A SG PRO 218.A O no hydrogen 3.384 N/A GLU 220.A N GLU 220.A OE1 no hydrogen 2.796 N/A TYR 222.A N PRO 218.A O no hydrogen 3.159 N/A TYR 222.A OH MET 211.A O no hydrogen 2.505 N/A ASP 223.A N ARG 219.A O no hydrogen 2.891 N/A LEU 224.A N GLU 220.A O no hydrogen 3.046 N/A MET 225.A N MET 221.A O no hydrogen 3.104 N/A ASN 226.A N TYR 222.A O no hydrogen 3.044 N/A ASN 226.A ND2 TYR 222.A O no hydrogen 3.160 N/A LEU 227.A N ASP 223.A O no hydrogen 3.006 N/A CYS 228.A N LEU 224.A O no hydrogen 2.807 N/A CYS 228.A SG LEU 224.A O no hydrogen 3.534 N/A TRP 229.A N MET 225.A O no hydrogen 2.938 N/A THR 230.A N LEU 227.A O no hydrogen 3.170 N/A THR 230.A OG1 LEU 227.A O no hydrogen 2.556 N/A TYR 231.A OH GLU 206.A OE1 no hydrogen 3.133 N/A ASN 235.A N ASP 232.A O no hydrogen 3.266 N/A ARG 236.A N ASP 232.A O no hydrogen 3.242 N/A ARG 236.A N VAL 233.A O no hydrogen 3.334 N/A ARG 236.A NE THR 230.A O no hydrogen 2.799 N/A ARG 236.A NH1 GLU 162.A OE2 no hydrogen 2.889 N/A ARG 236.A NH1 LYS 172.A O no hydrogen 2.858 N/A ARG 236.A NH2 GLU 162.A OE1 no hydrogen 2.867 N/A ARG 236.A NH2 THR 230.A O no hydrogen 3.167 N/A ARG 236.A NH2 TYR 231.A O no hydrogen 3.397 N/A PHE 239.A N GLU 124.A OE2 no hydrogen 3.308 N/A VAL 242.A N GLY 238.A O no hydrogen 3.120 N/A GLU 243.A N PHE 239.A O no hydrogen 2.769 N/A LEU 244.A N ALA 240.A O no hydrogen 3.109 N/A ARG 245.A N ALA 241.A O no hydrogen 3.042 N/A LEU 246.A N VAL 242.A O no hydrogen 2.904 N/A ARG 247.A N GLU 243.A O no hydrogen 2.748 N/A ARG 247.A NE GLU 243.A OE1 no hydrogen 3.365 N/A ARG 247.A NE GLU 243.A OE2 no hydrogen 3.101 N/A ARG 247.A NH1 GLU 243.A OE1 no hydrogen 2.700 N/A ASN 248.A N LEU 244.A O no hydrogen 3.125 N/A TYR 249.A N ARG 245.A O no hydrogen 3.306 N/A TYR 250.A N LEU 246.A O no hydrogen 2.976 N/A TYR 251.A N ARG 247.A O no hydrogen 2.804 N/A ASP 252.A N ASN 248.A O no hydrogen 2.935 N/A VAL 253.A N TYR 249.A O no hydrogen 2.790 N/A VAL 254.A N TYR 250.A O no hydrogen 3.002 N/A HIS 256.A ND1 ASN 255.A O no hydrogen 3.053 N/A