Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 6upr_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): PHE 3.A N ARG 57.A O no hydrogen 3.115 N/A THR 4.A N HIS 108.A ND1 no hydrogen 3.134 N/A LEU 5.A N THR 59.A O no hydrogen 2.688 N/A MET 6.A N CYS 109.A O no hydrogen 2.728 N/A VAL 7.A N VAL 61.A O no hydrogen 2.952 N/A VAL 8.A N PHE 111.A O no hydrogen 2.945 N/A LYS 15.A NZ GLY 9.A O no hydrogen 3.335 N/A LYS 15.A NZ GLU 10.A O no hydrogen 2.878 N/A LEU 18.A N GLY 14.A O no hydrogen 2.810 N/A ILE 19.A N LYS 15.A O no hydrogen 2.980 N/A ASN 20.A N SER 16.A O no hydrogen 3.095 N/A SER 21.A N THR 17.A O no hydrogen 3.152 N/A SER 21.A OG THR 17.A O no hydrogen 2.788 N/A SER 21.A OG SER 203.A O no hydrogen 3.476 N/A LEU 22.A N LEU 18.A O no hydrogen 3.093 N/A LEU 22.A N ILE 19.A O no hydrogen 2.997 N/A THR 25.A OG1 ASN 20.A OD1 no hydrogen 2.963 N/A LEU 27.A N ASN 20.A OD1 no hydrogen 3.316 N/A TYR 28.A OH ASP 62.A OD1 no hydrogen 3.289 N/A TYR 28.A OH ASP 62.A OD2 no hydrogen 3.324 N/A GLY 35.A N GLU 38.A OE1 no hydrogen 2.574 N/A GLU 38.A N GLY 35.A O no hydrogen 3.104 N/A LYS 39.A N GLY 35.A O no hydrogen 3.118 N/A ARG 42.A NH1 ASP 68.A OD2 no hydrogen 2.878 N/A GLN 45.A N PRO 64.A O no hydrogen 2.868 N/A GLU 47.A N ASP 62.A O no hydrogen 3.071 N/A SER 49.A N VAL 60.A O no hydrogen 2.981 N/A THR 50.A OG1 THR 59.A OG1 no hydrogen 2.552 N/A VAL 51.A N LEU 58.A O no hydrogen 2.798 N/A ILE 53.A N LEU 56.A O no hydrogen 3.034 N/A LEU 56.A N ILE 53.A O no hydrogen 2.871 N/A ARG 57.A N PHE 1.A O no hydrogen 3.201 N/A LEU 58.A N VAL 51.A O no hydrogen 2.708 N/A THR 59.A N PHE 3.A O no hydrogen 2.780 N/A THR 59.A OG1 THR 50.A OG1 no hydrogen 2.552 N/A VAL 60.A N SER 49.A O no hydrogen 2.829 N/A VAL 61.A N LEU 5.A O no hydrogen 2.749 N/A ASP 62.A N GLU 47.A O no hydrogen 2.813 N/A THR 63.A OG1 VAL 7.A O no hydrogen 3.021 N/A TYR 66.A N THR 63.A O no hydrogen 3.381 N/A TYR 66.A OH TYR 112.A OH no hydrogen 2.542 N/A ASP 68.A N GLY 65.A O no hydrogen 2.989 N/A ILE 70.A N ILE 40.A O no hydrogen 3.023 N/A ARG 73.A NE.A ARG 73.A O.A no hydrogen 3.161 N/A ARG 73.A NH2.A ARG 42.A O no hydrogen 3.393 N/A CYS 75.A SG.A CYS 72.A O.B no hydrogen 3.477 N/A LYS 77.A N ASP 74.A O.A no hydrogen 3.469 N/A THR 78.A OG1 VAL 44.A O no hydrogen 3.418 N/A ILE 80.A N PHE 76.A O.A no hydrogen 2.839 N/A ILE 80.A N PHE 76.A O.B no hydrogen 2.802 N/A SER 81.A N LYS 77.A O no hydrogen 2.676 N/A SER 81.A OG LYS 77.A O no hydrogen 3.251 N/A SER 81.A OG THR 78.A O no hydrogen 3.373 N/A TYR 82.A N THR 78.A O no hydrogen 3.140 N/A ILE 83.A N ILE 79.A O no hydrogen 3.054 N/A ASP 84.A N ILE 80.A O no hydrogen 2.867 N/A GLU 85.A N SER 81.A O no hydrogen 2.894 N/A GLN 86.A N TYR 82.A O no hydrogen 3.159 N/A GLN 86.A NE2 TYR 82.A O no hydrogen 3.208 N/A PHE 87.A N ILE 83.A O no hydrogen 3.267 N/A GLU 88.A N ASP 84.A O no hydrogen 2.743 N/A ARG 89.A N GLU 85.A O no hydrogen 2.850 N/A ARG 89.A NH2 GLN 86.A OE1 no hydrogen 3.025 N/A TYR 90.A N GLN 86.A O no hydrogen 3.071 N/A LEU 91.A N PHE 87.A O no hydrogen 2.983 N/A HIS 92.A N GLU 88.A O no hydrogen 3.151 N/A HIS 92.A ND1 ASP 93.A OD1 no hydrogen 3.251 N/A ASP 93.A N ARG 89.A O no hydrogen 3.017 N/A GLU 94.A N TYR 90.A O no hydrogen 2.807 N/A SER 95.A N LEU 91.A O no hydrogen 2.988 N/A SER 95.A OG LEU 91.A O no hydrogen 2.545 N/A GLY 96.A N ASP 93.A O no hydrogen 3.320 N/A ARG 99.A NH2 GLU 94.A O no hydrogen 2.806 N/A ASP 104.A N GLU 2.A OE1 no hydrogen 3.107 N/A ARG 106.A N ASP 104.A OD1 no hydrogen 3.113 N/A ARG 106.A NE ASP 104.A OD1 no hydrogen 2.710 N/A ARG 106.A NH2 ASP 104.A OD2 no hydrogen 3.046 N/A HIS 108.A N THR 4.A O no hydrogen 2.971 N/A HIS 108.A NE2 ASP 104.A OD2 no hydrogen 3.219 N/A CYS 109.A SG ASN 137.A O no hydrogen 3.895 N/A CYS 110.A N ASN 137.A O no hydrogen 2.859 N/A CYS 110.A SG MET 6.A O no hydrogen 3.967 N/A PHE 111.A N MET 6.A O no hydrogen 2.766 N/A TYR 112.A N VAL 139.A O no hydrogen 3.120 N/A TYR 112.A OH TYR 66.A OH no hydrogen 2.542 N/A TYR 112.A OH ASP 125.A OD1 no hydrogen 2.368 N/A PHE 113.A N VAL 8.A O no hydrogen 2.962 N/A ILE 114.A N VAL 141.A O no hydrogen 2.613 N/A PHE 117.A N SER 115.A OG no hydrogen 3.085 N/A LEU 121.A N GLU 163.A OE2 no hydrogen 2.873 N/A LYS 122.A N ASP 125.A OD2 no hydrogen 3.056 N/A ASP 125.A N LYS 122.A O no hydrogen 2.818 N/A VAL 126.A N LYS 122.A O no hydrogen 3.240 N/A ALA 127.A N PRO 123.A O no hydrogen 2.967 N/A PHE 128.A N LEU 124.A O no hydrogen 3.101 N/A MET 129.A N ASP 125.A O no hydrogen 3.030 N/A LYS 130.A N VAL 126.A O no hydrogen 2.939 N/A LYS 130.A NZ HIS 167.A O no hydrogen 2.922 N/A ALA 131.A N PHE 128.A O no hydrogen 2.857 N/A ILE 132.A N MET 129.A O no hydrogen 3.246 N/A LYS 135.A N ILE 132.A O no hydrogen 2.838 N/A LYS 135.A NZ ASP 84.A OD1 no hydrogen 3.267 N/A VAL 136.A N ILE 132.A O no hydrogen 3.002 N/A ASN 137.A ND2 HIS 108.A O no hydrogen 2.777 N/A VAL 139.A N CYS 110.A O no hydrogen 3.012 N/A VAL 141.A N TYR 112.A O no hydrogen 2.908 N/A ILE 142.A N PHE 198.A O no hydrogen 2.738 N/A ALA 143.A N ILE 114.A O no hydrogen 3.029 N/A LYS 144.A NZ GLY 12.A O no hydrogen 2.834 N/A ALA 145.A N VAL 200.A O no hydrogen 2.862 N/A THR 147.A N LYS 144.A O no hydrogen 3.326 N/A LEU 148.A N ALA 145.A O no hydrogen 3.232 N/A THR 149.A N GLU 152.A OE1 no hydrogen 3.136 N/A GLU 152.A N THR 149.A OG1 no hydrogen 3.122 N/A ARG 153.A N THR 149.A O no hydrogen 2.683 N/A ARG 153.A NH2 HIS 231.A O no hydrogen 2.901 N/A GLU 154.A N LEU 150.A O no hydrogen 2.952 N/A ARG 155.A N LYS 151.A O no hydrogen 3.165 N/A LEU 156.A N GLU 152.A O no hydrogen 3.100 N/A LYS 157.A N ARG 153.A O no hydrogen 3.033 N/A LYS 157.A NZ SER 195.A O no hydrogen 3.088 N/A LYS 157.A NZ ASP 233.A OD2 no hydrogen 2.765 N/A LYS 158.A N GLU 154.A O no hydrogen 3.116 N/A ARG 159.A N ARG 155.A O no hydrogen 2.971 N/A ARG 159.A NE GLU 163.A OE1 no hydrogen 3.188 N/A ILE 160.A N LEU 156.A O no hydrogen 3.010 N/A LEU 161.A N LYS 157.A O no hydrogen 3.138 N/A ASP 162.A N LYS 158.A O no hydrogen 3.059 N/A GLU 163.A N ARG 159.A O no hydrogen 2.829 N/A ILE 164.A N ILE 160.A O no hydrogen 2.928 N/A GLU 165.A N LEU 161.A O no hydrogen 3.050 N/A GLU 166.A N ASP 162.A O no hydrogen 2.831 N/A HIS 167.A N GLU 163.A O no hydrogen 3.023 N/A HIS 167.A ND1 GLU 163.A O no hydrogen 2.877 N/A ASN 168.A N GLU 165.A O no hydrogen 3.386 N/A ILE 169.A N ILE 164.A O no hydrogen 3.013 N/A LYS 170.A N HIS 133.A ND1 no hydrogen 2.889 N/A LYS 170.A NZ ASN 134.A OD1 no hydrogen 3.394 N/A TYR 172.A N ILE 138.A O no hydrogen 2.887 N/A TYR 172.A OH ASP 247.A OD2 no hydrogen 2.704 N/A ASP 180.A N GLU 178.A O no hydrogen 2.351 N/A LYS 186.A N ASP 182.A O no hydrogen 3.141 N/A GLU 187.A N GLU 183.A O no hydrogen 3.007 N/A GLN 188.A N ASP 184.A O no hydrogen 3.068 N/A THR 189.A N PHE 185.A O no hydrogen 3.198 N/A THR 189.A OG1 PHE 185.A O no hydrogen 2.707 N/A ARG 190.A N LYS 186.A O no hydrogen 3.403 N/A LEU 191.A N GLU 187.A O no hydrogen 3.091 N/A LEU 192.A N GLN 188.A O no hydrogen 3.000 N/A LYS 193.A N THR 189.A O no hydrogen 3.156 N/A ALA 194.A N ARG 190.A O no hydrogen 3.168 N/A SER 195.A N LEU 192.A O no hydrogen 3.341 N/A SER 195.A OG LEU 191.A O no hydrogen 3.119 N/A SER 199.A N ASP 233.A OD2 no hydrogen 3.017 N/A SER 199.A OG ASP 233.A OD2 no hydrogen 3.095 N/A VAL 200.A N ILE 142.A O no hydrogen 2.986 N/A VAL 201.A N ASN 232.A OD1 no hydrogen 2.704 N/A SER 203.A N SER 21.A OG no hydrogen 3.295 N/A SER 203.A OG GLN 205.A O no hydrogen 3.559 N/A SER 203.A OG GLY 216.A O no hydrogen 2.626 N/A GLN 205.A N SER 203.A OG no hydrogen 3.132 N/A ILE 207.A N VAL 214.A O no hydrogen 2.899 N/A ALA 209.A N LYS 212.A O no hydrogen 2.861 N/A LYS 212.A N ALA 209.A O no hydrogen 3.081 N/A VAL 214.A N ILE 207.A O no hydrogen 3.008 N/A ARG 215.A NH1 SER 21.A O no hydrogen 2.475 N/A GLY 216.A N GLN 205.A O no hydrogen 3.178 N/A ARG 217.A N VAL 224.A O no hydrogen 2.835 N/A ARG 217.A NE ASP 146.A OD2 no hydrogen 3.116 N/A ARG 217.A NE TYR 219.A OH no hydrogen 3.154 N/A ARG 217.A NH2 TYR 219.A OH no hydrogen 3.132 N/A TYR 219.A N GLY 222.A O no hydrogen 2.876 N/A TYR 219.A OH ASP 146.A OD2 no hydrogen 2.623 N/A GLY 222.A N TYR 219.A O no hydrogen 3.352 N/A VAL 224.A N ARG 217.A O no hydrogen 2.872 N/A GLU 225.A N HIS 231.A ND1 no hydrogen 3.031 N/A VAL 226.A N ARG 215.A O no hydrogen 3.028 N/A ASN 228.A N GLU 225.A O no hydrogen 3.488 N/A ASN 228.A ND2 GLU 225.A OE2 no hydrogen 3.098 N/A GLU 230.A N ASN 228.A OD1 no hydrogen 2.927 N/A HIS 231.A N ASN 228.A O no hydrogen 2.932 N/A ASN 232.A N ASN 228.A O no hydrogen 3.230 N/A ASN 232.A ND2 VAL 226.A O no hydrogen 3.060 N/A ASN 232.A ND2 ASN 228.A O no hydrogen 3.645 N/A ASP 233.A N SER 199.A O no hydrogen 2.767 N/A PHE 234.A N ASN 232.A OD1 no hydrogen 3.301 N/A LYS 236.A NZ SER 195.A OG no hydrogen 3.170 N/A LEU 237.A N ASP 233.A O no hydrogen 2.840 N/A ARG 238.A N PHE 234.A O no hydrogen 2.832 N/A ARG 238.A NE LEU 22.A O no hydrogen 3.123 N/A THR 239.A N LEU 235.A O no hydrogen 2.785 N/A THR 239.A OG1 LEU 235.A O no hydrogen 3.004 N/A MET 240.A N LYS 236.A O no hydrogen 3.077 N/A LEU 241.A N LEU 237.A O no hydrogen 2.955 N/A ILE 242.A N ARG 238.A O no hydrogen 3.069 N/A THR 243.A N THR 239.A O no hydrogen 3.019 N/A THR 243.A OG1 THR 239.A O no hydrogen 2.630 N/A HIS 244.A N MET 240.A O no hydrogen 3.125 N/A MET 245.A N ILE 242.A O no hydrogen 3.532 N/A GLN 246.A NE2 GLU 250.A OE2 no hydrogen 2.914 N/A LEU 248.A N HIS 244.A O no hydrogen 2.926 N/A GLN 249.A N MET 245.A O no hydrogen 2.961 N/A GLU 250.A N GLN 246.A O no hydrogen 2.811 N/A VAL 251.A N ASP 247.A O no hydrogen 2.898 N/A THR 252.A N LEU 248.A O no hydrogen 3.070 N/A THR 252.A OG1 LEU 248.A O no hydrogen 2.453 N/A GLN 253.A N GLN 249.A O no hydrogen 3.025 N/A ASP 254.A N GLU 250.A O no hydrogen 2.807 N/A LEU 255.A N VAL 251.A O no hydrogen 2.855 N/A HIS 256.A N VAL 251.A O no hydrogen 3.450 N/A HIS 256.A NE2 ASN 137.A OD1 no hydrogen 3.251 N/A TYR 257.A N THR 252.A O no hydrogen 2.863 N/A TYR 257.A OH GLU 94.A OE2 no hydrogen 2.724 N/A ASN 259.A N LEU 255.A O no hydrogen 2.992 N/A PHE 260.A N HIS 256.A O no hydrogen 2.834 N/A ARG 261.A N TYR 257.A O no hydrogen 2.682 N/A SER 262.A N GLU 258.A O no hydrogen 2.984 N/A SER 262.A OG GLU 258.A O no hydrogen 3.392 N/A GLU 263.A N ASN 259.A O no hydrogen 2.917 N/A ARG 264.A N ARG 261.A O no hydrogen 3.259 N/A ARG 264.A NE GLU 88.A OE2 no hydrogen 2.861 N/A LEU 265.A N ARG 261.A O no hydrogen 2.671 N/A LYS 266.A N SER 262.A O no hydrogen 3.491 N/A