Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 1et0_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): LEU 3.A N LEU 104.A O no hydrogen 2.970 N/A ILE 4.A N HIS 7.A O no hydrogen 3.000 N/A ASN 5.A N ARG 102.A O no hydrogen 3.104 N/A HIS 7.A N ILE 4.A O no hydrogen 3.452 N/A GLN 9.A N PHE 2.A O no hydrogen 2.785 N/A GLN 9.A NE2 SER 11.A O no hydrogen 2.706 N/A SER 15.A OG SER 87.A OG no hydrogen 2.833 N/A ASP 16.A N ALA 13.A O no hydrogen 3.091 N/A ARG 17.A N GLY 86.A O no hydrogen 3.005 N/A ARG 17.A NE ASP 23.A OD2 no hydrogen 2.794 N/A ARG 17.A NH1 GLY 88.A O no hydrogen 3.351 N/A ARG 17.A NH1 GLY 91.A O no hydrogen 3.357 N/A ARG 17.A NH1 SER 93.A O no hydrogen 2.889 N/A ARG 17.A NH2 ASP 23.A OD2 no hydrogen 3.051 N/A ARG 17.A NH2 TYR 92.A O no hydrogen 3.265 N/A ALA 18.A N ASP 16.A OD1 no hydrogen 3.017 N/A THR 19.A N ASP 16.A O no hydrogen 2.913 N/A GLN 20.A N ASP 16.A O no hydrogen 3.047 N/A GLN 20.A NE2 VAL 14.A O no hydrogen 2.804 N/A PHE 21.A N ARG 17.A O no hydrogen 2.787 N/A GLY 22.A N ALA 18.A O no hydrogen 2.864 N/A ASP 23.A N ARG 17.A O no hydrogen 3.172 N/A GLY 24.A N GLY 22.A O no hydrogen 3.107 N/A CYS 25.A N ILE 83.A O no hydrogen 2.923 N/A PHE 26.A N LYS 128.A O no hydrogen 2.963 N/A THR 27.A N VAL 81.A O no hydrogen 2.951 N/A THR 27.A OG1 HIS 42.A ND1 no hydrogen 2.822 N/A ALA 29.A N LEU 79.A O no hydrogen 2.819 N/A ARG 30.A NE LEU 226.A O no hydrogen 3.211 N/A ARG 30.A NH2 MET 227.A O no hydrogen 3.436 N/A VAL 31.A N GLY 77.A O no hydrogen 2.790 N/A ILE 32.A N LYS 35.A O no hydrogen 2.789 N/A ASP 33.A N ASN 76.A OD1 no hydrogen 3.078 N/A GLY 34.A N GLN 75.A O no hydrogen 2.786 N/A LYS 35.A N ILE 32.A O no hydrogen 2.900 N/A SER 37.A N ARG 30.A O no hydrogen 2.979 N/A HIS 42.A N LEU 38.A O no hydrogen 3.109 N/A HIS 42.A ND1 THR 27.A OG1 no hydrogen 2.822 N/A ILE 43.A N LEU 39.A O no hydrogen 3.140 N/A GLN 44.A N SER 40.A O no hydrogen 3.085 N/A ARG 45.A N ALA 41.A O no hydrogen 2.975 N/A ARG 45.A NH1 THR 27.A OG1 no hydrogen 2.850 N/A LEU 46.A N HIS 42.A O no hydrogen 3.210 N/A GLN 47.A N ILE 43.A O no hydrogen 3.135 N/A ASP 48.A N GLN 44.A O no hydrogen 3.270 N/A ALA 49.A N ARG 45.A O no hydrogen 3.226 N/A CYS 50.A N LEU 46.A O no hydrogen 2.993 N/A CYS 50.A SG LEU 46.A O no hydrogen 3.253 N/A GLN 51.A N GLN 47.A O no hydrogen 2.855 N/A ARG 52.A N ASP 48.A O no hydrogen 2.975 N/A ARG 52.A NH1 HIS 123.A O no hydrogen 3.110 N/A ARG 52.A NH1 ALA 125.A O no hydrogen 2.760 N/A ARG 52.A NH2 ALA 125.A O no hydrogen 2.727 N/A LEU 53.A N ALA 49.A O no hydrogen 3.137 N/A MET 54.A N GLN 51.A O no hydrogen 3.307 N/A ILE 55.A N CYS 50.A O no hydrogen 2.803 N/A TRP 60.A NE1 CYS 57.A O no hydrogen 2.965 N/A LEU 63.A N PHE 59.A O no hydrogen 2.702 N/A GLU 64.A N TRP 60.A O no hydrogen 2.979 N/A GLN 65.A N PRO 61.A O no hydrogen 3.256 N/A GLN 65.A NE2 PRO 61.A O no hydrogen 3.655 N/A GLU 66.A N GLN 62.A O no hydrogen 3.223 N/A MET 67.A N LEU 63.A O no hydrogen 3.072 N/A LYS 68.A N GLU 64.A O no hydrogen 3.108 N/A THR 69.A N GLN 65.A O no hydrogen 2.967 N/A THR 69.A OG1 GLU 66.A O no hydrogen 3.175 N/A LEU 70.A N GLU 66.A O no hydrogen 3.048 N/A ALA 71.A N MET 67.A O no hydrogen 2.977 N/A ALA 72.A N LYS 68.A O no hydrogen 3.066 N/A GLU 73.A N THR 69.A O no hydrogen 3.163 N/A GLN 74.A N LEU 70.A O no hydrogen 3.063 N/A GLN 74.A NE2 ASN 76.A O no hydrogen 2.949 N/A GLN 75.A N ALA 71.A O no hydrogen 2.927 N/A GLN 75.A NE2 ALA 72.A O no hydrogen 2.883 N/A ASN 76.A N GLN 74.A O no hydrogen 2.731 N/A GLY 77.A N VAL 31.A O no hydrogen 3.144 N/A VAL 78.A N THR 107.A O no hydrogen 2.790 N/A LEU 79.A N ALA 29.A O no hydrogen 2.807 N/A LYS 80.A N SER 105.A O no hydrogen 2.827 N/A VAL 81.A N THR 27.A O no hydrogen 2.952 N/A VAL 82.A N ILE 103.A O no hydrogen 2.843 N/A ILE 83.A N CYS 25.A O no hydrogen 3.005 N/A SER 84.A N THR 101.A O no hydrogen 3.035 N/A SER 84.A OG ASP 16.A OD1 no hydrogen 2.833 N/A SER 84.A OG ASP 16.A OD2 no hydrogen 3.295 N/A ARG 85.A N ASP 23.A O no hydrogen 3.178 N/A ARG 85.A NE ASP 23.A OD1 no hydrogen 3.363 N/A ARG 85.A NE ASP 23.A OD2 no hydrogen 2.887 N/A ARG 85.A NH1 LEU 53.A O no hydrogen 2.984 N/A ARG 85.A NH2 ASP 23.A OD1 no hydrogen 2.901 N/A ARG 85.A NH2 LEU 53.A O no hydrogen 2.755 N/A GLY 86.A N SER 84.A OG no hydrogen 3.213 N/A SER 87.A OG SER 15.A OG no hydrogen 2.833 N/A SER 93.A N ARG 90.A O no hydrogen 3.037 N/A LEU 95.A N SER 93.A OG no hydrogen 3.237 N/A SER 97.A N THR 94.A O no hydrogen 3.183 N/A SER 97.A OG THR 94.A O no hydrogen 2.632 N/A GLY 98.A N SER 87.A O no hydrogen 3.160 N/A THR 101.A N SER 84.A O no hydrogen 3.052 N/A THR 101.A OG1 ASP 16.A OD2 no hydrogen 2.983 N/A ARG 102.A N ASN 5.A OD1 no hydrogen 3.196 N/A ARG 102.A NE GLU 66.A OE1 no hydrogen 3.041 N/A ARG 102.A NH2 GLU 66.A OE2 no hydrogen 2.919 N/A ILE 103.A N VAL 82.A O no hydrogen 2.859 N/A LEU 104.A N LEU 3.A O no hydrogen 2.887 N/A SER 105.A N LYS 80.A O no hydrogen 3.089 N/A THR 107.A N VAL 78.A O no hydrogen 2.816 N/A THR 110.A N ASP 148.A OD2 no hydrogen 3.041 N/A LEU 111.A N ALA 234.A O no hydrogen 2.960 N/A ALA 112.A N GLU 149.A O no hydrogen 3.138 N/A SER 114.A N LEU 151.A O no hydrogen 2.844 N/A SER 114.A OG VAL 116.A O no hydrogen 3.541 N/A VAL 116.A N SER 114.A OG no hydrogen 3.357 N/A ARG 117.A NE SER 155.A O no hydrogen 3.370 N/A LEU 118.A N LEU 153.A O no hydrogen 2.852 N/A GLY 119.A N GLU 134.A OE2 no hydrogen 2.921 N/A ARG 120.A NE ASP 154.A OD2 no hydrogen 2.915 N/A ARG 120.A NH2 ASP 154.A OD2 no hydrogen 2.909 N/A ASN 121.A N GLN 182.A O no hydrogen 2.952 N/A HIS 123.A N ASN 121.A OD1 no hydrogen 3.061 N/A LEU 124.A N ASN 121.A O no hydrogen 3.006 N/A GLY 126.A N GLY 184.A O no hydrogen 2.844 N/A LEU 130.A N GLY 24.A O no hydrogen 2.964 N/A ASN 131.A N HIS 129.A ND1 no hydrogen 3.309 N/A ASN 131.A ND2 PHE 21.A O no hydrogen 3.072 N/A ARG 132.A N LEU 130.A O no hydrogen 2.930 N/A ARG 132.A NE GLN 135.A OE1 no hydrogen 2.980 N/A ARG 132.A NH1 ILE 127.A O no hydrogen 3.432 N/A VAL 136.A N ARG 132.A O no hydrogen 3.169 N/A LEU 137.A N LEU 133.A O no hydrogen 3.103 N/A ILE 138.A N GLU 134.A O no hydrogen 2.979 N/A ARG 139.A N GLN 135.A O no hydrogen 3.010 N/A ARG 139.A NE GLU 143.A OE2 no hydrogen 3.044 N/A SER 140.A N VAL 136.A O no hydrogen 3.070 N/A SER 140.A OG VAL 136.A O no hydrogen 2.956 N/A HIS 141.A N LEU 137.A O no hydrogen 3.124 N/A HIS 141.A ND1 LEU 137.A O no hydrogen 2.964 N/A LEU 142.A N ILE 138.A O no hydrogen 2.918 N/A GLU 143.A N ARG 139.A O no hydrogen 3.035 N/A GLN 144.A N HIS 141.A O no hydrogen 2.997 N/A THR 145.A N LEU 142.A O no hydrogen 3.104 N/A THR 145.A OG1 LEU 142.A O no hydrogen 2.553 N/A ALA 147.A N THR 145.A OG1 no hydrogen 3.331 N/A ASP 148.A N THR 110.A O no hydrogen 3.062 N/A GLU 149.A N THR 110.A O no hydrogen 3.263 N/A ALA 150.A N GLU 149.A OE1 no hydrogen 2.823 N/A LEU 151.A N ALA 112.A O no hydrogen 2.793 N/A VAL 152.A N GLU 161.A O no hydrogen 2.740 N/A ASP 154.A N TRP 158.A O no hydrogen 2.813 N/A GLY 157.A N ASP 154.A O no hydrogen 2.916 N/A TRP 158.A NE1 GLU 156.A OE1 no hydrogen 3.092 N/A VAL 159.A N ALA 209.A O no hydrogen 2.847 N/A THR 160.A N VAL 152.A O no hydrogen 2.993 N/A THR 160.A OG1 TRP 158.A O no hydrogen 3.198 N/A GLU 161.A N VAL 152.A O no hydrogen 3.300 N/A CYS 162.A N ALA 165.A O no hydrogen 2.978 N/A CYS 163.A N GLU 149.A OE1 no hydrogen 3.131 N/A CYS 163.A SG GLN 135.A O no hydrogen 3.535 N/A ALA 164.A N GLU 149.A OE2 no hydrogen 3.249 N/A ASN 166.A N CYS 223.A O no hydrogen 2.905 N/A ASN 166.A ND2 VAL 185.A O no hydrogen 2.915 N/A PHE 168.A N VAL 221.A O no hydrogen 2.956 N/A TRP 169.A N TYR 176.A O no hydrogen 3.097 N/A ARG 170.A N GLU 219.A O no hydrogen 2.974 N/A ARG 170.A NE GLU 219.A OE1 no hydrogen 3.204 N/A ARG 170.A NH1 GLY 172.A O no hydrogen 3.085 N/A ARG 170.A NH2 GLU 219.A OE1 no hydrogen 3.331 N/A LYS 171.A N VAL 174.A O no hydrogen 3.166 N/A GLY 172.A N ASP 218.A OD2 no hydrogen 2.931 N/A VAL 174.A N LYS 171.A O no hydrogen 3.347 N/A VAL 175.A N GLN 203.A O no hydrogen 2.666 N/A TYR 176.A N TRP 169.A O no hydrogen 2.742 N/A THR 177.A N VAL 205.A O no hydrogen 3.078 N/A ARG 179.A N VAL 207.A O no hydrogen 2.932 N/A ARG 179.A NH1 GLU 206.A O no hydrogen 3.325 N/A ASP 181.A N ASP 181.A OD1 no hydrogen 2.688 N/A VAL 185.A N GLU 161.A OE2 no hydrogen 2.925 N/A ASN 186.A N GLY 126.A O no hydrogen 3.000 N/A GLY 187.A N ASN 166.A OD1 no hydrogen 3.169 N/A GLY 187.A N VAL 185.A O no hydrogen 2.948 N/A ARG 190.A NH1 ASN 186.A OD1 no hydrogen 2.801 N/A ARG 190.A NH2 PRO 178.A O no hydrogen 3.392 N/A GLN 191.A N GLY 187.A O no hydrogen 3.072 N/A GLN 191.A NE2 ASN 186.A O no hydrogen 3.159 N/A GLN 191.A NE2 GLY 187.A O no hydrogen 3.355 N/A PHE 192.A N ILE 188.A O no hydrogen 3.141 N/A CYS 193.A N MET 189.A O no hydrogen 2.908 N/A CYS 193.A SG MET 189.A O no hydrogen 3.247 N/A ILE 194.A N ARG 190.A O no hydrogen 3.027 N/A ARG 195.A N GLN 191.A O no hydrogen 3.241 N/A LEU 196.A N PHE 192.A O no hydrogen 3.200 N/A LEU 197.A N CYS 193.A O no hydrogen 2.912 N/A ALA 198.A N ILE 194.A O no hydrogen 2.856 N/A GLN 199.A NE2 ARG 195.A O no hydrogen 3.039 N/A SER 200.A N LEU 196.A O no hydrogen 3.030 N/A SER 200.A OG LEU 197.A O no hydrogen 3.182 N/A TYR 202.A N SER 200.A OG no hydrogen 3.124 N/A GLN 203.A N ASN 173.A O no hydrogen 2.759 N/A GLN 203.A NE2 ASN 173.A OD1 no hydrogen 2.661 N/A VAL 205.A N VAL 175.A O no hydrogen 2.881 N/A VAL 207.A N THR 177.A O no hydrogen 2.833 N/A GLU 213.A N SER 210.A O no hydrogen 3.202 N/A GLU 213.A N SER 210.A OG no hydrogen 3.389 N/A SER 214.A N SER 210.A O no hydrogen 3.340 N/A SER 214.A OG LEU 211.A O no hydrogen 3.052 N/A LEU 215.A N LEU 211.A O no hydrogen 3.027 N/A ASP 218.A N ARG 170.A O no hydrogen 2.733 N/A GLU 219.A N ARG 170.A O no hydrogen 3.263 N/A VAL 221.A N PHE 168.A O no hydrogen 2.825 N/A ILE 222.A N MET 230.A O no hydrogen 3.067 N/A CYS 223.A N ASN 166.A O no hydrogen 3.148 N/A ASN 224.A N PRO 228.A O no hydrogen 3.042 N/A ASN 224.A ND2 ALA 164.A O no hydrogen 3.232 N/A LEU 226.A N ASN 224.A OD1 no hydrogen 2.733 N/A MET 227.A N ASN 224.A OD1 no hydrogen 2.862 N/A MET 230.A N ILE 222.A O no hydrogen 2.803 N/A VAL 232.A N MET 220.A O no hydrogen 3.186 N/A CYS 233.A N ILE 109.A O no hydrogen 2.716 N/A CYS 235.A N VAL 238.A O no hydrogen 3.001 N/A SER 239.A OG CYS 233.A O no hydrogen 3.536 N/A PHE 240.A N CYS 233.A O no hydrogen 2.992 N/A LEU 245.A N GLU 219.A OE1 no hydrogen 3.024 N/A TYR 246.A N GLU 219.A OE2 no hydrogen 3.017 N/A GLU 247.A N ALA 243.A O no hydrogen 2.963 N/A TYR 248.A N THR 244.A O no hydrogen 2.953 N/A LEU 249.A N LEU 245.A O no hydrogen 3.011 N/A ALA 250.A N TYR 246.A O no hydrogen 3.028 N/A CYS 253.A N LEU 249.A O no hydrogen 2.687 N/A CYS 253.A N ALA 250.A O no hydrogen 3.084 N/A CYS 253.A SG LEU 249.A O no hydrogen 3.156 N/A GLU 254.A N ALA 250.A O no hydrogen 2.983 N/A