Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 1ubs_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): MET 1.A N ASN 147.A O no hydrogen 3.344 N/A ARG 3.A NE ASP 124.A OD1 no hydrogen 3.110 N/A ARG 3.A NH1 PRO 93.A O no hydrogen 2.938 N/A ARG 3.A NH2 ASP 124.A OD1 no hydrogen 3.568 N/A TYR 4.A N MET 1.A O no hydrogen 3.078 N/A TYR 4.A OH SER 125.A OG no hydrogen 2.914 N/A GLU 5.A N MET 1.A O no hydrogen 3.517 N/A ASN 6.A N GLU 2.A O no hydrogen 3.021 N/A LEU 7.A N ARG 3.A O no hydrogen 3.048 N/A PHE 8.A N TYR 4.A O no hydrogen 2.820 N/A ALA 9.A N GLU 5.A O no hydrogen 2.957 N/A GLN 10.A N ASN 6.A O no hydrogen 3.011 N/A GLN 10.A NE2.B ASN 6.A O no hydrogen 2.497 N/A LEU 11.A N LEU 7.A O no hydrogen 3.007 N/A ASN 12.A N PHE 8.A O no hydrogen 3.392 N/A ASP 13.A N ALA 9.A O no hydrogen 3.390 N/A ARG 14.A N LEU 11.A O no hydrogen 3.194 N/A ARG 15.A N ASN 12.A O no hydrogen 3.019 N/A GLU 16.A N LEU 11.A O no hydrogen 2.985 N/A GLY 17.A N SER 255.A O no hydrogen 2.801 N/A ALA 18.A N ALA 218.A O no hydrogen 2.968 N/A PHE 19.A N ASP 46.A OD2 no hydrogen 2.639 N/A VAL 20.A N ALA 220.A O no hydrogen 2.884 N/A PHE 22.A N SER 222.A O no hydrogen 3.190 N/A VAL 23.A N GLU 49.A O no hydrogen 3.233 N/A LEU 25.A N GLY 51.A O no hydrogen 2.899 N/A GLY 26.A N SER 33.A OG no hydrogen 2.978 N/A ASP 27.A N THR 24.A O no hydrogen 3.269 N/A SER 33.A N GLY 29.A O no hydrogen 2.879 N/A LEU 34.A N ILE 30.A O no hydrogen 3.031 N/A LYS 35.A N GLU 31.A O no hydrogen 2.961 N/A ILE 36.A N GLN 32.A O no hydrogen 2.808 N/A ILE 37.A N SER 33.A O no hydrogen 2.940 N/A ASP 38.A N LEU 34.A O no hydrogen 3.094 N/A THR 39.A OG1 LYS 35.A O no hydrogen 3.062 N/A LEU 40.A N ILE 36.A O no hydrogen 3.207 N/A ILE 41.A N ILE 37.A O no hydrogen 3.209 N/A ASP 42.A N ASP 38.A O no hydrogen 2.985 N/A ALA 43.A N THR 39.A O no hydrogen 2.748 N/A GLY 44.A N ILE 41.A O no hydrogen 2.880 N/A ALA 45.A N LEU 40.A O no hydrogen 2.859 N/A ASP 46.A N PHE 19.A O no hydrogen 2.942 N/A LEU 48.A N PRO 96.A O no hydrogen 3.182 N/A GLU 49.A N PRO 21.A O no hydrogen 3.236 N/A LEU 50.A N GLY 98.A O no hydrogen 3.041 N/A GLY 51.A N VAL 23.A O no hydrogen 3.168 N/A SER 55.A OG ASP 56.A OD1 no hydrogen 2.582 N/A LEU 58.A N ASP 56.A O no hydrogen 2.634 N/A ALA 59.A N TYR 102.A OH no hydrogen 3.081 N/A ASP 60.A N PRO 57.A O no hydrogen 2.855 N/A GLN 65.A N GLY 61.A O no hydrogen 2.673 N/A ASN 66.A N PRO 62.A O no hydrogen 2.758 N/A ALA 67.A N THR 63.A O no hydrogen 3.168 N/A ASN 68.A N ILE 64.A O no hydrogen 3.207 N/A LEU 69.A N GLN 65.A O no hydrogen 3.293 N/A ARG 70.A N ASN 66.A O no hydrogen 3.100 N/A ALA 71.A N ALA 67.A O no hydrogen 3.127 N/A PHE 72.A N ASN 68.A O no hydrogen 2.922 N/A ALA 73.A N LEU 69.A O no hydrogen 2.828 N/A ALA 74.A N ALA 71.A O no hydrogen 2.800 N/A GLY 75.A N PHE 72.A O no hydrogen 2.879 N/A VAL 76.A N ALA 71.A O no hydrogen 2.991 N/A GLN 80.A N THR 77.A OG1 no hydrogen 3.384 N/A GLN 80.A NE2 THR 77.A OG1 no hydrogen 2.713 N/A CYS 81.A N THR 77.A O no hydrogen 2.923 N/A CYS 81.A SG THR 77.A O no hydrogen 3.308 N/A PHE 82.A N PRO 78.A O no hydrogen 3.040 N/A GLU 83.A N ALA 79.A O no hydrogen 3.323 N/A MET 84.A N GLN 80.A O no hydrogen 3.235 N/A LEU 85.A N CYS 81.A O no hydrogen 2.876 N/A ALA 86.A N PHE 82.A O no hydrogen 3.167 N/A LEU 87.A N GLU 83.A O no hydrogen 3.199 N/A ILE 88.A N MET 84.A O no hydrogen 2.994 N/A ARG 89.A N LEU 85.A O no hydrogen 3.151 N/A ARG 89.A NE GLY 122.A O no hydrogen 2.919 N/A ARG 89.A NH1 ILE 95.A O no hydrogen 3.052 N/A ARG 89.A NH2 ILE 95.A O no hydrogen 2.772 N/A ARG 89.A NH2 GLY 122.A O no hydrogen 3.171 N/A GLU 90.A N ALA 86.A O no hydrogen 3.188 N/A LYS 91.A N LEU 87.A O no hydrogen 3.192 N/A LYS 91.A N ILE 88.A O no hydrogen 3.089 N/A LYS 91.A NZ ASP 38.A OD2 no hydrogen 2.908 N/A HIS 92.A N ILE 88.A O no hydrogen 2.864 N/A HIS 92.A NE2 ASP 38.A OD1 no hydrogen 2.847 N/A ILE 97.A N ASP 124.A OD2 no hydrogen 2.724 N/A GLY 98.A N LEU 48.A O no hydrogen 3.090 N/A LEU 99.A N SER 125.A O no hydrogen 2.892 N/A LEU 100.A N LEU 50.A O no hydrogen 2.716 N/A MET 101.A N LEU 127.A O no hydrogen 2.823 N/A TYR 102.A OH ASP 60.A OD2 no hydrogen 2.604 N/A ALA 103.A N ASP 130.A OD1 no hydrogen 2.713 N/A LEU 105.A N TYR 102.A O no hydrogen 3.256 N/A PHE 107.A N ALA 103.A O no hydrogen 2.880 N/A ASN 108.A N ASN 104.A O no hydrogen 2.766 N/A GLY 110.A N PHE 107.A O no hydrogen 3.037 N/A PHE 114.A N GLY 110.A O no hydrogen 3.034 N/A TYR 115.A N ILE 111.A O no hydrogen 3.107 N/A ALA 116.A N ASP 112.A O no hydrogen 2.943 N/A ARG 117.A N ALA 113.A O no hydrogen 3.182 N/A CYS 118.A N PHE 114.A O no hydrogen 3.196 N/A CYS 118.A SG PHE 114.A O no hydrogen 3.658 N/A GLU 119.A N TYR 115.A O no hydrogen 2.886 N/A GLN 120.A N ALA 116.A O no hydrogen 2.839 N/A VAL 121.A N ARG 117.A O no hydrogen 2.960 N/A GLY 122.A N GLU 119.A O no hydrogen 3.133 N/A VAL 123.A N CYS 118.A O no hydrogen 2.977 N/A ASP 124.A N ILE 97.A O no hydrogen 2.704 N/A SER 125.A N ILE 97.A O no hydrogen 3.155 N/A SER 125.A OG TYR 4.A OH no hydrogen 2.914 N/A VAL 126.A N ALA 149.A O no hydrogen 2.977 N/A LEU 127.A N LEU 99.A O no hydrogen 2.826 N/A ALA 129.A N MET 101.A O no hydrogen 2.668 N/A VAL 131.A N VAL 128.A O no hydrogen 3.336 N/A GLU 135.A N PRO 132.A O no hydrogen 3.054 N/A SER 136.A N VAL 133.A O no hydrogen 3.183 N/A SER 136.A OG VAL 133.A O no hydrogen 2.697 N/A PHE 139.A N SER 136.A O no hydrogen 2.748 N/A ARG 140.A N SER 136.A O no hydrogen 2.774 N/A ARG 140.A NE SER 136.A OG no hydrogen 2.938 N/A GLN 141.A N ALA 137.A O no hydrogen 2.943 N/A ALA 142.A N PRO 138.A O no hydrogen 3.483 N/A ALA 143.A N PHE 139.A O no hydrogen 3.229 N/A LEU 144.A N ARG 140.A O no hydrogen 3.021 N/A ARG 145.A N GLN 141.A O no hydrogen 3.007 N/A ARG 145.A NE ASP 112.A OD2 no hydrogen 3.213 N/A ARG 145.A NH2 ASP 112.A OD2 no hydrogen 2.380 N/A HIS 146.A N ALA 143.A O no hydrogen 3.115 N/A HIS 146.A ND1 ALA 142.A O no hydrogen 2.663 N/A ASN 147.A N LEU 144.A O no hydrogen 3.026 N/A ASN 147.A ND2 GLU 119.A OE2 no hydrogen 2.833 N/A ILE 148.A N ALA 143.A O no hydrogen 2.577 N/A ALA 149.A N ASP 124.A O no hydrogen 2.915 N/A ILE 151.A N VAL 126.A O no hydrogen 3.123 N/A CYS 154.A N TYR 175.A O no hydrogen 2.680 N/A ALA 158.A N PRO 155.A O no hydrogen 3.016 N/A LEU 162.A N ASP 159.A OD1 no hydrogen 3.039 N/A LEU 163.A N ASP 159.A O no hydrogen 3.073 N/A ARG 164.A N ASP 160.A O no hydrogen 2.913 N/A GLN 165.A N ASP 161.A O no hydrogen 3.084 N/A GLN 165.A NE2 ASP 161.A O no hydrogen 3.298 N/A VAL 166.A N LEU 162.A O no hydrogen 2.800 N/A ALA 167.A N LEU 163.A O no hydrogen 2.955 N/A SER 168.A N ARG 164.A O no hydrogen 3.104 N/A SER 168.A OG ARG 164.A O no hydrogen 3.406 N/A TYR 169.A N GLN 165.A O no hydrogen 2.909 N/A GLY 170.A N VAL 166.A O no hydrogen 3.272 N/A ARG 171.A N PRO 150.A O no hydrogen 3.328 N/A ARG 171.A NE GLY 170.A O no hydrogen 3.156 N/A ARG 171.A NH2 SER 168.A O no hydrogen 2.896 N/A TYR 173.A N ARG 171.A O no hydrogen 2.864 N/A THR 174.A N PRO 196.A O no hydrogen 2.643 N/A THR 174.A OG1 ALA 195.A O no hydrogen 2.963 N/A TYR 175.A N PHE 152.A O no hydrogen 2.851 N/A LEU 176.A N LEU 198.A O no hydrogen 2.827 N/A LEU 177.A N CYS 154.A O no hydrogen 2.886 N/A SER 178.A OG LEU 177.A O no hydrogen 3.286 N/A HIS 184.A N PRO 181.A O no hydrogen 2.686 N/A LEU 185.A N PRO 181.A O no hydrogen 2.778 N/A ILE 186.A N LEU 182.A O no hydrogen 2.708 N/A GLU 187.A N HIS 183.A O no hydrogen 3.250 N/A LYS 188.A N HIS 184.A O no hydrogen 2.638 N/A LYS 188.A NZ ASP 160.A OD1 no hydrogen 3.320 N/A LEU 189.A N LEU 185.A O no hydrogen 2.701 N/A LYS 190.A N ILE 186.A O no hydrogen 3.139 N/A GLU 191.A N GLU 187.A O no hydrogen 2.927 N/A TYR 192.A N LYS 188.A O no hydrogen 3.082 N/A TYR 192.A N LEU 189.A O no hydrogen 3.141 N/A TYR 192.A OH ASP 160.A OD1 no hydrogen 2.604 N/A HIS 193.A N LYS 190.A O no hydrogen 3.332 N/A ALA 194.A N LEU 189.A O no hydrogen 2.821 N/A LEU 198.A N THR 174.A O no hydrogen 2.952 N/A GLN 199.A N GLY 219.A O no hydrogen 2.944 N/A GLY 200.A N LEU 176.A O no hydrogen 2.679 N/A PHE 201.A N GLN 199.A OE1 no hydrogen 2.862 N/A SER 204.A N GLN 208.A OE1 no hydrogen 2.753 N/A SER 205.A N GLN 208.A OE1 no hydrogen 2.376 N/A SER 205.A OG GLN 208.A OE1 no hydrogen 2.398 N/A GLN 208.A N SER 205.A O no hydrogen 2.683 N/A SER 210.A N PRO 206.A O no hydrogen 3.168 N/A SER 210.A OG GLU 207.A O no hydrogen 2.724 N/A ALA 211.A N GLU 207.A O no hydrogen 3.133 N/A ALA 212.A N GLN 208.A O no hydrogen 2.912 N/A VAL 213.A N VAL 209.A O no hydrogen 3.008 N/A ARG 214.A N SER 210.A O no hydrogen 3.004 N/A ALA 215.A N ALA 211.A O no hydrogen 2.749 N/A GLY 216.A N ALA 212.A O no hydrogen 3.188 N/A ALA 217.A N ALA 212.A O no hydrogen 2.847 N/A ALA 218.A N ALA 197.A O no hydrogen 2.872 N/A ALA 220.A N ALA 18.A O no hydrogen 2.866 N/A ILE 221.A N GLN 199.A O no hydrogen 2.747 N/A SER 222.A N VAL 20.A O no hydrogen 2.856 N/A SER 222.A OG ILE 203.A O no hydrogen 2.917 N/A LYS 228.A N SER 224.A O no hydrogen 2.858 N/A ILE 230.A N ILE 226.A O no hydrogen 3.436 N/A GLU 231.A N VAL 227.A O no hydrogen 3.046 N/A LYS 232.A N LYS 228.A O no hydrogen 2.813 N/A ASN 233.A N ILE 229.A O no hydrogen 2.777 N/A ASN 233.A ND2 GLU 243.A OE1 no hydrogen 3.407 N/A ASN 233.A ND2 GLU 243.A OE2 no hydrogen 3.524 N/A LEU 234.A N GLU 231.A O no hydrogen 3.313 N/A GLN 239.A N SER 236.A OG no hydrogen 3.330 N/A MET 240.A N SER 236.A O no hydrogen 2.844 N/A LEU 241.A N PRO 237.A O no hydrogen 3.132 N/A ALA 242.A N LYS 238.A O no hydrogen 3.318 N/A GLU 243.A N GLN 239.A O no hydrogen 3.171 N/A LEU 244.A N MET 240.A O no hydrogen 3.275 N/A ARG 245.A N LEU 241.A O no hydrogen 2.802 N/A SER 246.A N ALA 242.A O no hydrogen 3.214 N/A SER 246.A OG ALA 242.A O no hydrogen 3.177 N/A PHE 247.A N GLU 243.A O no hydrogen 2.897 N/A VAL 248.A N LEU 244.A O no hydrogen 2.908 N/A SER 249.A N ARG 245.A O no hydrogen 3.091 N/A SER 249.A OG ALA 43.A O no hydrogen 3.470 N/A SER 249.A OG ARG 245.A O no hydrogen 2.912 N/A ALA 250.A N SER 246.A O no hydrogen 3.014 N/A MET 251.A N PHE 247.A O no hydrogen 2.923 N/A LYS 252.A N VAL 248.A O no hydrogen 2.851 N/A LYS 252.A NZ GLU 16.A OE2 no hydrogen 2.715 N/A LYS 252.A NZ ASP 46.A OD1 no hydrogen 3.515 N/A LYS 252.A NZ ASP 46.A OD2 no hydrogen 2.998 N/A LYS 252.A NZ SER 255.A OG no hydrogen 2.991 N/A ALA 253.A N SER 249.A O no hydrogen 2.863 N/A SER 255.A N LYS 252.A O no hydrogen 3.139 N/A SER 255.A OG GLY 17.A O no hydrogen 3.168 N/A SER 255.A OG LYS 252.A O no hydrogen 2.383 N/A ARG 256.A NH1 GLU 16.A OE1 no hydrogen 3.093 N/A