Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 6upa_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): PHE 2.A N ARG 52.A O no hydrogen 2.899 N/A THR 3.A N HIS 103.A ND1 no hydrogen 3.040 N/A THR 3.A OG1 THR 54.A OG1 no hydrogen 3.129 N/A THR 3.A OG1 ARG 101.A O no hydrogen 3.455 N/A LEU 4.A N THR 54.A O no hydrogen 2.814 N/A MET 5.A N CYS 104.A O no hydrogen 2.704 N/A VAL 6.A N VAL 56.A O no hydrogen 2.892 N/A VAL 7.A N PHE 106.A O no hydrogen 2.933 N/A LYS 14.A NZ GLU 9.A O no hydrogen 3.414 N/A LEU 17.A N GLY 13.A O no hydrogen 3.044 N/A ILE 18.A N LYS 14.A O no hydrogen 3.053 N/A ASN 19.A N SER 15.A O no hydrogen 3.004 N/A SER 20.A N LEU 17.A O no hydrogen 2.962 N/A SER 20.A OG THR 16.A O no hydrogen 2.743 N/A SER 20.A OG SER 190.A O no hydrogen 2.859 N/A LEU 21.A N LEU 17.A O no hydrogen 2.922 N/A LEU 21.A N ILE 18.A O no hydrogen 3.211 N/A THR 24.A N ASN 19.A O no hydrogen 3.335 N/A LEU 26.A N ASN 19.A OD1 no hydrogen 3.176 N/A TYR 27.A OH ASP 57.A OD1 no hydrogen 3.155 N/A TYR 27.A OH ASP 57.A OD2 no hydrogen 2.837 N/A GLY 34.A N GLU 37.A OE2 no hydrogen 3.255 N/A GLU 37.A N GLY 34.A O no hydrogen 3.113 N/A LYS 38.A N GLY 34.A O no hydrogen 3.264 N/A ARG 41.A N LYS 38.A O no hydrogen 3.402 N/A GLN 44.A N PRO 59.A O no hydrogen 2.931 N/A GLU 46.A N ASP 57.A O no hydrogen 3.141 N/A SER 48.A N VAL 55.A O no hydrogen 2.932 N/A VAL 50.A N LEU 53.A O no hydrogen 2.996 N/A LEU 53.A N VAL 50.A O no hydrogen 2.955 N/A THR 54.A N PHE 2.A O no hydrogen 2.976 N/A THR 54.A OG1 PHE 2.A O no hydrogen 3.412 N/A THR 54.A OG1 THR 3.A OG1 no hydrogen 3.129 N/A VAL 55.A N SER 48.A O no hydrogen 2.762 N/A VAL 56.A N LEU 4.A O no hydrogen 2.724 N/A ASP 57.A N GLU 46.A O no hydrogen 2.685 N/A THR 58.A OG1 VAL 6.A O no hydrogen 2.873 N/A TYR 61.A N THR 58.A O no hydrogen 3.353 N/A TYR 61.A OH TYR 107.A OH no hydrogen 2.923 N/A ASP 63.A N GLY 60.A O no hydrogen 3.192 N/A ILE 65.A N ILE 39.A O no hydrogen 3.465 N/A ILE 75.A N PHE 71.A O no hydrogen 2.635 N/A SER 76.A N LYS 72.A O no hydrogen 2.868 N/A SER 76.A OG LYS 72.A O no hydrogen 2.845 N/A SER 76.A OG THR 73.A O no hydrogen 3.405 N/A ILE 78.A N ILE 74.A O no hydrogen 3.173 N/A ASP 79.A N ILE 75.A O no hydrogen 2.989 N/A GLU 80.A N SER 76.A O no hydrogen 2.718 N/A GLN 81.A N TYR 77.A O no hydrogen 3.034 N/A GLN 81.A NE2 TYR 77.A O no hydrogen 2.766 N/A PHE 82.A N ILE 78.A O no hydrogen 3.191 N/A GLU 83.A N ASP 79.A O no hydrogen 2.775 N/A ARG 84.A N GLU 80.A O no hydrogen 2.747 N/A TYR 85.A N GLN 81.A O no hydrogen 3.156 N/A LEU 86.A N PHE 82.A O no hydrogen 2.919 N/A HIS 87.A N GLU 83.A O no hydrogen 2.918 N/A ASP 88.A N ARG 84.A O no hydrogen 2.943 N/A GLU 89.A N TYR 85.A O no hydrogen 2.751 N/A SER 90.A N LEU 86.A O no hydrogen 3.008 N/A SER 90.A OG LEU 86.A O no hydrogen 3.195 N/A GLY 91.A N ASP 88.A O no hydrogen 3.174 N/A ARG 94.A NH1 GLU 89.A O no hydrogen 2.266 N/A ASP 99.A N GLU 1.A OE1 no hydrogen 3.361 N/A ARG 101.A N ASP 99.A OD1 no hydrogen 3.319 N/A ARG 101.A NE ASP 99.A OD1 no hydrogen 2.620 N/A ARG 101.A NH2 ASP 99.A OD1 no hydrogen 3.468 N/A ARG 101.A NH2 ASP 99.A OD2 no hydrogen 3.316 N/A HIS 103.A N THR 3.A O no hydrogen 3.050 N/A CYS 104.A N THR 3.A O no hydrogen 3.256 N/A CYS 104.A SG ASN 132.A O no hydrogen 3.962 N/A CYS 105.A N ASN 132.A O no hydrogen 3.061 N/A PHE 106.A N MET 5.A O no hydrogen 2.728 N/A TYR 107.A N VAL 134.A O no hydrogen 3.321 N/A TYR 107.A OH TYR 61.A OH no hydrogen 2.923 N/A TYR 107.A OH ASP 120.A OD1 no hydrogen 2.230 N/A PHE 108.A N VAL 7.A O no hydrogen 2.973 N/A ILE 109.A N VAL 136.A O no hydrogen 2.742 N/A PHE 112.A N SER 110.A OG no hydrogen 3.394 N/A LYS 117.A N ASP 120.A OD2 no hydrogen 2.642 N/A ASP 120.A N LYS 117.A O no hydrogen 3.045 N/A VAL 121.A N LYS 117.A O no hydrogen 3.368 N/A ALA 122.A N PRO 118.A O no hydrogen 2.975 N/A PHE 123.A N LEU 119.A O no hydrogen 3.118 N/A MET 124.A N ASP 120.A O no hydrogen 3.090 N/A LYS 125.A N VAL 121.A O no hydrogen 2.892 N/A LYS 125.A NZ HIS 162.A O no hydrogen 3.558 N/A ALA 126.A N PHE 123.A O no hydrogen 3.003 N/A ILE 127.A N PHE 123.A O no hydrogen 3.224 N/A ILE 127.A N MET 124.A O no hydrogen 3.273 N/A HIS 128.A N MET 124.A O no hydrogen 2.853 N/A LYS 130.A N ILE 127.A O no hydrogen 2.784 N/A LYS 130.A NZ ASP 79.A OD1 no hydrogen 2.879 N/A LYS 130.A NZ ASP 79.A OD2 no hydrogen 3.259 N/A VAL 131.A N ILE 127.A O no hydrogen 2.892 N/A ASN 132.A ND2 HIS 103.A O no hydrogen 3.087 N/A ASN 132.A ND2 LEU 231.A O no hydrogen 2.846 N/A VAL 134.A N CYS 105.A O no hydrogen 3.079 N/A VAL 136.A N TYR 107.A O no hydrogen 2.970 N/A ILE 137.A N PHE 185.A O no hydrogen 2.733 N/A ALA 138.A N ILE 109.A O no hydrogen 3.078 N/A LYS 139.A NZ GLY 11.A O no hydrogen 3.039 N/A ALA 140.A N VAL 187.A O no hydrogen 2.925 N/A THR 142.A N LYS 139.A O no hydrogen 3.247 N/A THR 142.A OG1 LYS 139.A O no hydrogen 3.230 N/A LEU 143.A N ALA 140.A O no hydrogen 3.153 N/A THR 144.A N GLU 147.A OE1 no hydrogen 2.919 N/A GLU 147.A N THR 144.A OG1 no hydrogen 3.141 N/A ARG 148.A N THR 144.A O no hydrogen 2.624 N/A ARG 148.A NH2 HIS 214.A O no hydrogen 2.536 N/A GLU 149.A N LEU 145.A O no hydrogen 3.087 N/A ARG 150.A N LYS 146.A O no hydrogen 3.102 N/A LEU 151.A N GLU 147.A O no hydrogen 3.131 N/A LYS 152.A N ARG 148.A O no hydrogen 3.103 N/A LYS 152.A NZ SER 182.A O no hydrogen 2.880 N/A LYS 152.A NZ ASP 216.A OD2 no hydrogen 2.802 N/A LYS 153.A N GLU 149.A O no hydrogen 3.086 N/A ARG 154.A N ARG 150.A O no hydrogen 3.130 N/A ARG 154.A NE GLU 158.A OE1 no hydrogen 3.187 N/A ILE 155.A N LEU 151.A O no hydrogen 2.905 N/A LEU 156.A N LYS 152.A O no hydrogen 3.059 N/A ASP 157.A N LYS 153.A O no hydrogen 3.124 N/A GLU 158.A N ARG 154.A O no hydrogen 2.936 N/A ILE 159.A N ILE 155.A O no hydrogen 2.830 N/A GLU 160.A N LEU 156.A O no hydrogen 3.066 N/A GLU 161.A N ASP 157.A O no hydrogen 2.902 N/A HIS 162.A N GLU 158.A O no hydrogen 3.060 N/A ASN 163.A N GLU 160.A O no hydrogen 3.182 N/A ILE 164.A N ILE 159.A O no hydrogen 2.985 N/A LYS 165.A N HIS 128.A ND1 no hydrogen 3.116 N/A LYS 165.A NZ ASN 129.A OD1 no hydrogen 3.454 N/A TYR 167.A N ILE 133.A O no hydrogen 2.779 N/A TYR 167.A OH ASP 230.A OD2 no hydrogen 2.529 N/A THR 176.A N PHE 172.A O no hydrogen 3.133 N/A ARG 177.A N LYS 173.A O no hydrogen 3.070 N/A LEU 178.A N GLU 174.A O no hydrogen 2.982 N/A LEU 179.A N GLN 175.A O no hydrogen 2.972 N/A LYS 180.A N THR 176.A O no hydrogen 3.107 N/A LYS 180.A NZ LEU 169.A O no hydrogen 3.339 N/A ALA 181.A N ARG 177.A O no hydrogen 3.316 N/A SER 182.A OG LEU 178.A O no hydrogen 3.240 N/A ILE 183.A N LYS 180.A O no hydrogen 3.416 N/A SER 186.A N ASP 216.A OD2 no hydrogen 3.223 N/A SER 186.A OG ASP 216.A OD2 no hydrogen 3.343 N/A VAL 187.A N ILE 137.A O no hydrogen 3.085 N/A VAL 188.A N ASN 215.A OD1 no hydrogen 2.865 N/A SER 190.A N SER 20.A OG no hydrogen 3.152 N/A SER 190.A OG GLN 192.A O no hydrogen 3.426 N/A SER 190.A OG GLY 199.A O no hydrogen 2.505 N/A GLN 192.A N SER 190.A OG no hydrogen 2.940 N/A ILE 194.A N VAL 197.A O no hydrogen 2.708 N/A VAL 197.A N ILE 194.A O no hydrogen 2.668 N/A ARG 198.A NH1 SER 20.A O no hydrogen 3.135 N/A ARG 198.A NH2 GLU 210.A OE2 no hydrogen 3.109 N/A GLY 199.A N GLN 192.A O no hydrogen 3.264 N/A ARG 200.A N VAL 207.A O no hydrogen 3.086 N/A ARG 200.A NE TYR 202.A OH no hydrogen 3.298 N/A ARG 200.A NH2 TYR 202.A OH no hydrogen 3.485 N/A TYR 202.A N GLY 205.A O no hydrogen 3.102 N/A TYR 202.A OH ASP 141.A OD2 no hydrogen 2.514 N/A GLY 205.A N TYR 202.A O no hydrogen 3.398 N/A VAL 207.A N ARG 200.A O no hydrogen 2.952 N/A GLU 208.A N HIS 214.A ND1 no hydrogen 3.038 N/A VAL 209.A N ARG 198.A O no hydrogen 3.156 N/A ASN 211.A N GLU 208.A O no hydrogen 3.401 N/A ASN 211.A ND2 GLU 208.A OE1 no hydrogen 3.320 N/A GLU 213.A N ASN 211.A OD1 no hydrogen 2.959 N/A HIS 214.A N ASN 211.A O no hydrogen 2.945 N/A ASN 215.A N ASN 211.A O no hydrogen 3.190 N/A ASN 215.A ND2 VAL 209.A O no hydrogen 2.969 N/A ASP 216.A N SER 186.A O no hydrogen 2.841 N/A PHE 217.A N ASN 215.A OD1 no hydrogen 2.863 N/A LEU 220.A N ASP 216.A O no hydrogen 3.013 N/A ARG 221.A N PHE 217.A O no hydrogen 2.862 N/A THR 222.A N LEU 218.A O no hydrogen 2.699 N/A THR 222.A OG1 LEU 218.A O no hydrogen 2.751 N/A MET 223.A N LYS 219.A O no hydrogen 2.772 N/A LEU 224.A N LEU 220.A O no hydrogen 3.034 N/A ILE 225.A N ARG 221.A O no hydrogen 3.081 N/A THR 226.A N THR 222.A O no hydrogen 3.009 N/A THR 226.A OG1 THR 222.A O no hydrogen 2.858 N/A THR 226.A OG1 MET 223.A O no hydrogen 3.383 N/A THR 226.A OG1 HIS 227.A ND1 no hydrogen 2.764 N/A HIS 227.A N MET 223.A O no hydrogen 2.954 N/A HIS 227.A ND1 THR 226.A OG1 no hydrogen 2.764 N/A LEU 231.A N HIS 227.A O no hydrogen 2.828 N/A GLN 232.A N MET 228.A O no hydrogen 3.405 N/A GLU 233.A N GLN 229.A O no hydrogen 3.160 N/A VAL 234.A N ASP 230.A O no hydrogen 2.926 N/A THR 235.A N LEU 231.A O no hydrogen 3.060 N/A THR 235.A OG1 HIS 103.A O no hydrogen 3.312 N/A THR 235.A OG1 LEU 231.A O no hydrogen 2.943 N/A GLN 236.A N GLN 232.A O no hydrogen 3.044 N/A ASP 237.A N GLU 233.A O no hydrogen 2.914 N/A LEU 238.A N VAL 234.A O no hydrogen 2.897 N/A HIS 239.A N VAL 234.A O no hydrogen 3.262 N/A HIS 239.A NE2 ASN 132.A OD1 no hydrogen 2.669 N/A TYR 240.A N THR 235.A O no hydrogen 2.855 N/A TYR 240.A OH GLU 89.A OE1 no hydrogen 2.500 N/A ASN 242.A N LEU 238.A O no hydrogen 3.034 N/A PHE 243.A N HIS 239.A O no hydrogen 3.202 N/A ARG 244.A N TYR 240.A O no hydrogen 2.918 N/A SER 245.A N GLU 241.A O no hydrogen 3.026 N/A SER 245.A OG GLU 241.A O no hydrogen 3.215 N/A GLU 246.A N ASN 242.A O no hydrogen 2.924 N/A ARG 247.A N PHE 243.A O no hydrogen 2.679 N/A LEU 248.A N ARG 244.A O no hydrogen 3.338 N/A LYS 249.A N GLU 246.A O no hydrogen 3.306 N/A