Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 6upr_B.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): SER 3.A OG ASP 106.A O no hydrogen 2.924 N/A PHE 4.A N LYS 57.A O no hydrogen 3.035 N/A ASN 5.A N HIS 110.A ND1 no hydrogen 3.373 N/A ASN 5.A ND2 ASP 106.A O no hydrogen 2.723 N/A ASN 5.A ND2 ARG 108.A O no hydrogen 2.683 N/A ILE 6.A N THR 59.A O no hydrogen 2.853 N/A LEU 7.A N VAL 111.A O no hydrogen 2.762 N/A CYS 8.A N VAL 61.A O no hydrogen 2.728 N/A VAL 9.A N LEU 113.A O no hydrogen 3.074 N/A THR 12.A OG1 ASP 68.A OD2 no hydrogen 2.396 N/A ILE 14.A N GLU 11.A O no hydrogen 3.130 N/A LYS 16.A NZ GLY 10.A O no hydrogen 3.524 N/A LYS 16.A NZ ASP 62.A OD1 no hydrogen 2.641 N/A SER 17.A OG THR 30.A OG1 no hydrogen 3.204 N/A LEU 19.A N GLY 15.A O no hydrogen 2.975 N/A MET 20.A N LYS 16.A O no hydrogen 3.082 N/A ASN 21.A N SER 17.A O no hydrogen 3.059 N/A THR 22.A N THR 18.A O no hydrogen 2.895 N/A THR 22.A OG1 THR 18.A O no hydrogen 2.715 N/A LEU 23.A N LEU 19.A O no hydrogen 2.866 N/A PHE 24.A N MET 20.A O no hydrogen 3.274 N/A THR 26.A N ASN 21.A O no hydrogen 3.182 N/A THR 27.A N THR 26.A OG1 no hydrogen 2.591 N/A PHE 28.A N ASN 21.A OD1 no hydrogen 3.327 N/A THR 30.A OG1 SER 17.A OG no hydrogen 3.204 N/A THR 30.A OG1 GLU 31.A O no hydrogen 3.409 N/A HIS 35.A ND1 ASP 68.A OD1 no hydrogen 2.610 N/A HIS 36.A N SER 34.A OG no hydrogen 3.260 N/A ARG 41.A N VAL 64.A O no hydrogen 2.942 N/A ARG 41.A NE GLU 37.A OE2 no hydrogen 3.397 N/A ARG 43.A N ASP 62.A O no hydrogen 2.851 N/A GLN 45.A N ILE 60.A O no hydrogen 2.949 N/A THR 46.A OG1 THR 59.A OG1 no hydrogen 2.799 N/A TYR 47.A N LEU 58.A O no hydrogen 2.541 N/A LEU 49.A N LEU 56.A O no hydrogen 3.047 N/A GLU 51.A N VAL 54.A O no hydrogen 3.418 N/A GLN 55.A NE2 GLN 50.A OE1 no hydrogen 2.341 N/A LEU 56.A N LEU 49.A O no hydrogen 2.802 N/A LYS 57.A N PHE 2.A O no hydrogen 3.243 N/A LYS 57.A NZ ASP 48.A OD1 no hydrogen 2.733 N/A LYS 57.A NZ ASP 48.A OD2 no hydrogen 3.568 N/A LEU 58.A N TYR 47.A O no hydrogen 2.751 N/A THR 59.A N PHE 4.A O no hydrogen 2.914 N/A THR 59.A OG1 THR 46.A OG1 no hydrogen 2.799 N/A ILE 60.A N GLN 45.A O no hydrogen 2.824 N/A VAL 61.A N ILE 6.A O no hydrogen 2.711 N/A ASP 62.A N ARG 43.A O no hydrogen 2.984 N/A ALA 63.A N CYS 8.A O no hydrogen 3.224 N/A VAL 64.A N ARG 41.A O no hydrogen 2.496 N/A ASP 68.A N GLY 65.A O no hydrogen 3.462 N/A GLN 69.A NE2 GLU 37.A O no hydrogen 2.728 N/A GLN 69.A NE2 GLY 65.A O no hydrogen 3.356 N/A ASP 73.A N ASN 71.A OD1 no hydrogen 3.243 N/A SER 75.A OG LYS 72.A O no hydrogen 3.290 N/A ARG 77.A NE GLU 74.A OE1 no hydrogen 2.645 N/A VAL 80.A N TYR 76.A O no hydrogen 2.892 N/A ASP 81.A N ARG 77.A O no hydrogen 2.701 N/A TYR 82.A N PRO 78.A O no hydrogen 3.190 N/A ILE 83.A N ILE 79.A O no hydrogen 3.085 N/A ASP 84.A N VAL 80.A O no hydrogen 2.725 N/A ALA 85.A N ASP 81.A O no hydrogen 2.940 N/A GLN 86.A N TYR 82.A O no hydrogen 3.171 N/A GLN 86.A N ILE 83.A O no hydrogen 3.246 N/A GLN 86.A NE2 TYR 82.A O no hydrogen 3.006 N/A PHE 87.A N ILE 83.A O no hydrogen 3.192 N/A GLU 88.A N ASP 84.A O no hydrogen 2.854 N/A ASN 89.A N ALA 85.A O no hydrogen 3.020 N/A TYR 90.A N GLN 86.A O no hydrogen 3.111 N/A LEU 91.A N PHE 87.A O no hydrogen 2.950 N/A GLN 92.A N GLU 88.A O no hydrogen 2.975 N/A GLN 92.A NE2 GLU 88.A OE1 no hydrogen 3.127 N/A GLU 93.A N ASN 89.A O no hydrogen 3.315 N/A GLU 94.A N TYR 90.A O no hydrogen 3.226 N/A LEU 95.A N LEU 91.A O no hydrogen 3.050 N/A LYS 96.A N GLU 93.A O no hydrogen 3.276 N/A LYS 96.A NZ GLU 93.A OE1 no hydrogen 3.300 N/A ARG 99.A NH1 GLU 94.A O no hydrogen 3.164 N/A TYR 104.A N LEU 101.A O no hydrogen 3.371 N/A THR 107.A OG1 GLN 86.A OE1 no hydrogen 2.905 N/A ARG 108.A N ASP 106.A OD1 no hydrogen 3.115 N/A ARG 108.A NE ASP 106.A OD1 no hydrogen 2.885 N/A ARG 108.A NH1 HIS 252.A ND1 no hydrogen 2.962 N/A ARG 108.A NH2 ASP 106.A OD2 no hydrogen 3.075 N/A ARG 108.A NH2 HIS 252.A ND1 no hydrogen 3.518 N/A HIS 110.A N ASN 5.A O no hydrogen 2.865 N/A HIS 110.A NE2 ASP 106.A OD2 no hydrogen 3.061 N/A VAL 111.A N ASN 5.A O no hydrogen 3.279 N/A CYS 112.A N ASN 139.A O no hydrogen 2.995 N/A LEU 113.A N LEU 7.A O no hydrogen 2.812 N/A TYR 114.A N ILE 141.A O no hydrogen 3.078 N/A TYR 114.A OH ASP 127.A OD1 no hydrogen 3.189 N/A PHE 115.A N VAL 9.A O no hydrogen 2.895 N/A ILE 116.A N ILE 143.A O no hydrogen 2.696 N/A THR 119.A N THR 117.A O no hydrogen 2.854 N/A HIS 121.A N THR 119.A OG1 no hydrogen 3.378 N/A LEU 123.A N GLU 165.A OE1 no hydrogen 3.185 N/A LYS 124.A NZ GLU 11.A OE1 no hydrogen 2.868 N/A LYS 124.A NZ GLU 11.A OE2 no hydrogen 3.343 N/A LEU 128.A N LYS 124.A O no hydrogen 3.249 N/A VAL 129.A N SER 125.A O no hydrogen 3.151 N/A THR 130.A N LEU 126.A O no hydrogen 3.051 N/A THR 130.A OG1 LEU 126.A O no hydrogen 2.738 N/A MET 131.A N ASP 127.A O no hydrogen 3.014 N/A LYS 132.A N LEU 128.A O no hydrogen 3.151 N/A LYS 133.A N VAL 129.A O no hydrogen 3.273 N/A LYS 133.A N THR 130.A O no hydrogen 2.973 N/A LEU 134.A N MET 131.A O no hydrogen 3.137 N/A LYS 137.A N LEU 134.A O no hydrogen 2.970 N/A LYS 137.A NZ ASP 84.A OD1 no hydrogen 2.752 N/A LYS 137.A NZ ASP 84.A OD2 no hydrogen 3.486 N/A VAL 138.A N LEU 134.A O no hydrogen 3.059 N/A ASN 139.A ND2 HIS 110.A O no hydrogen 3.085 N/A ILE 141.A N CYS 112.A O no hydrogen 2.805 N/A ILE 143.A N TYR 114.A O no hydrogen 3.066 N/A ILE 144.A N PHE 196.A O no hydrogen 2.743 N/A ALA 145.A N ILE 116.A O no hydrogen 2.987 N/A LYS 146.A NZ GLY 13.A O no hydrogen 3.194 N/A ALA 147.A N VAL 198.A O no hydrogen 3.057 N/A THR 149.A N LYS 146.A O no hydrogen 2.914 N/A THR 149.A OG1 LYS 146.A O no hydrogen 3.320 N/A ILE 150.A N ALA 147.A O no hydrogen 3.186 N/A SER 151.A N GLU 154.A OE1 no hydrogen 3.094 N/A LEU 155.A N SER 151.A O no hydrogen 2.803 N/A HIS 156.A N LYS 152.A O no hydrogen 3.075 N/A LYS 157.A N SER 153.A O no hydrogen 3.368 N/A PHE 158.A N GLU 154.A O no hydrogen 2.747 N/A LYS 159.A N LEU 155.A O no hydrogen 2.885 N/A LYS 159.A NZ HIS 193.A O no hydrogen 3.170 N/A LYS 159.A NZ PRO 195.A O no hydrogen 3.407 N/A LYS 159.A NZ ASP 231.A OD2 no hydrogen 2.892 N/A ILE 160.A N HIS 156.A O no hydrogen 3.356 N/A LYS 161.A N LYS 157.A O no hydrogen 3.134 N/A LYS 161.A NZ GLY 120.A O no hydrogen 3.295 N/A LYS 161.A NZ HIS 121.A O no hydrogen 2.635 N/A LYS 161.A NZ LYS 157.A O no hydrogen 3.515 N/A ILE 162.A N PHE 158.A O no hydrogen 2.974 N/A MET 163.A N LYS 159.A O no hydrogen 2.918 N/A GLY 164.A N ILE 160.A O no hydrogen 2.774 N/A GLU 165.A N LYS 161.A O no hydrogen 3.096 N/A GLU 165.A N ILE 162.A O no hydrogen 3.063 N/A LEU 166.A N ILE 162.A O no hydrogen 3.037 N/A VAL 167.A N MET 163.A O no hydrogen 3.002 N/A SER 168.A N GLY 164.A O no hydrogen 3.085 N/A SER 168.A OG GLY 164.A O no hydrogen 3.018 N/A SER 168.A OG GLU 165.A O no hydrogen 3.284 N/A ASN 169.A N GLU 165.A O no hydrogen 3.022 N/A ASN 169.A ND2 GLU 165.A O no hydrogen 2.779 N/A GLY 170.A N VAL 167.A O no hydrogen 2.890 N/A VAL 171.A N LEU 166.A O no hydrogen 2.808 N/A GLN 172.A N ASP 135.A OD2 no hydrogen 3.260 N/A TYR 174.A N ILE 140.A O no hydrogen 2.817 N/A TYR 174.A OH ASP 246.A OD2 no hydrogen 2.331 N/A PHE 176.A N ASN 191.A OD1 no hydrogen 2.557 N/A VAL 183.A N ASP 180.A O no hydrogen 3.319 N/A VAL 183.A N ASP 180.A OD1 no hydrogen 3.170 N/A ASN 187.A ND2 PRO 177.A O no hydrogen 2.597 N/A ALA 188.A N ALA 184.A O no hydrogen 3.025 N/A VAL 189.A N GLU 185.A O no hydrogen 3.281 N/A MET 190.A N ILE 186.A O no hydrogen 3.068 N/A ASN 191.A N ASN 187.A O no hydrogen 2.964 N/A ASN 191.A ND2 PHE 176.A O no hydrogen 3.039 N/A ALA 192.A N ALA 188.A O no hydrogen 3.062 N/A HIS 193.A N VAL 189.A O no hydrogen 3.165 N/A HIS 193.A N MET 190.A O no hydrogen 3.286 N/A LEU 194.A N ASN 191.A O no hydrogen 3.271 N/A ALA 197.A N ASP 231.A OD2 no hydrogen 2.765 N/A VAL 198.A N ILE 144.A O no hydrogen 3.116 N/A SER 201.A N THR 22.A OG1 no hydrogen 3.130 N/A SER 201.A OG GLU 203.A O no hydrogen 3.462 N/A SER 201.A OG ALA 214.A O no hydrogen 2.499 N/A VAL 205.A N VAL 212.A O no hydrogen 2.858 N/A LYS 206.A NZ GLY 208.A O no hydrogen 2.534 N/A VAL 207.A N LYS 210.A O no hydrogen 2.865 N/A LYS 210.A N VAL 207.A O no hydrogen 3.277 N/A VAL 212.A N VAL 205.A O no hydrogen 3.004 N/A ARG 213.A NH2 THR 22.A O no hydrogen 2.278 N/A ALA 214.A N GLU 203.A O no hydrogen 2.988 N/A ARG 215.A N VAL 222.A O no hydrogen 3.069 N/A ARG 215.A NE ASP 148.A OD2 no hydrogen 2.955 N/A ARG 215.A NE TYR 217.A OH no hydrogen 3.145 N/A ARG 215.A NH2 TYR 217.A OH no hydrogen 2.924 N/A TYR 217.A N GLY 220.A O no hydrogen 2.856 N/A TYR 217.A OH ASP 148.A OD2 no hydrogen 2.750 N/A GLY 220.A N TYR 217.A O no hydrogen 3.281 N/A VAL 222.A N ARG 215.A O no hydrogen 3.091 N/A GLN 223.A N HIS 229.A ND1 no hydrogen 2.951 N/A VAL 224.A N ARG 213.A O no hydrogen 2.965 N/A ASN 226.A N GLN 223.A O no hydrogen 3.217 N/A ASN 228.A N ASN 226.A OD1 no hydrogen 2.826 N/A HIS 229.A N ASN 226.A O no hydrogen 3.061 N/A CYS 230.A N ASN 226.A O no hydrogen 3.135 N/A CYS 230.A SG VAL 224.A O no hydrogen 3.275 N/A ASP 231.A N ALA 197.A O no hydrogen 2.544 N/A LEU 235.A N ASP 231.A O no hydrogen 2.964 N/A ARG 236.A N PHE 232.A O no hydrogen 2.846 N/A ARG 236.A NH1 GLU 225.A OE2 no hydrogen 3.128 N/A GLU 237.A N VAL 233.A O no hydrogen 3.325 N/A GLU 237.A N LYS 234.A O no hydrogen 3.202 N/A MET 238.A N LEU 235.A O no hydrogen 2.937 N/A LEU 239.A N ARG 236.A O no hydrogen 2.799 N/A ILE 240.A N GLU 237.A O no hydrogen 3.450 N/A ASN 243.A ND2 GLU 237.A O no hydrogen 2.736 N/A MET 244.A N ILE 240.A O no hydrogen 3.038 N/A GLU 245.A N ARG 241.A O no hydrogen 3.105 N/A ASP 246.A N VAL 242.A O no hydrogen 3.107 N/A LEU 247.A N ASN 243.A O no hydrogen 2.899 N/A ARG 248.A N MET 244.A O no hydrogen 3.029 N/A ARG 248.A NE SER 3.A O no hydrogen 2.972 N/A GLU 249.A N GLU 245.A O no hydrogen 2.936 N/A GLN 250.A N ASP 246.A O no hydrogen 2.901 N/A THR 251.A N LEU 247.A O no hydrogen 3.198 N/A THR 251.A OG1 LEU 247.A O no hydrogen 2.545 N/A HIS 252.A N ARG 248.A O no hydrogen 2.985 N/A SER 253.A N GLU 249.A O no hydrogen 2.715 N/A SER 253.A OG GLU 249.A O no hydrogen 2.865 N/A ARG 254.A N GLN 250.A O no hydrogen 2.880 N/A ARG 254.A NE GLN 250.A OE1 no hydrogen 3.304 N/A HIS 255.A N GLN 250.A O no hydrogen 3.374 N/A HIS 255.A NE2 ASN 139.A OD1 no hydrogen 3.126 N/A TYR 256.A N THR 251.A O no hydrogen 2.792 N/A TYR 256.A OH GLU 94.A OE2 no hydrogen 2.973 N/A LEU 258.A N ARG 254.A O no hydrogen 3.107 N/A TYR 259.A N HIS 255.A O no hydrogen 3.127 N/A TYR 259.A OH GLU 88.A OE2 no hydrogen 2.704 N/A ARG 260.A N TYR 256.A O no hydrogen 2.677 N/A ARG 260.A NH1 GLU 257.A OE1 no hydrogen 3.265 N/A ARG 261.A N GLU 257.A O no hydrogen 2.924 N/A CYS 262.A N LEU 258.A O no hydrogen 3.253 N/A LYS 263.A N TYR 259.A O no hydrogen 2.913 N/A LYS 263.A NZ GLU 266.A OE1 no hydrogen 2.455 N/A LEU 264.A N ARG 260.A O no hydrogen 2.946 N/A GLU 265.A N ARG 261.A O no hydrogen 3.228 N/A GLU 266.A N CYS 262.A O no hydrogen 2.999 N/A MET 267.A N LYS 263.A O no hydrogen 2.724 N/A GLY 268.A N GLU 265.A O no hydrogen 3.175 N/A PHE 269.A N LEU 264.A O no hydrogen 2.901 N/A