Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 1upf_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): SER 4.A OG GLN 1.A O no hydrogen 2.280 N/A ILE 5.A N GLN 1.A O no hydrogen 3.169 N/A LEU 6.A N GLU 2.A O no hydrogen 2.736 N/A GLN 7.A N GLU 3.A O no hydrogen 2.772 N/A ASP 8.A N SER 4.A O no hydrogen 2.935 N/A ILE 9.A N ILE 5.A O no hydrogen 3.009 N/A ILE 10.A N LEU 6.A O no hydrogen 2.906 N/A THR 11.A N GLN 7.A O no hydrogen 2.606 N/A THR 11.A OG1 GLN 7.A O no hydrogen 2.690 N/A ARG 12.A N ASP 8.A O no hydrogen 2.611 N/A ARG 12.A NE ASP 8.A OD1 no hydrogen 3.027 N/A ARG 12.A NE ASP 8.A OD2 no hydrogen 3.222 N/A ARG 12.A NH2 ASP 8.A OD2 no hydrogen 3.554 N/A ARG 12.A NH2 GLU 183.A OE2 no hydrogen 2.828 N/A VAL 16.A N PHE 13.A O no hydrogen 3.213 N/A MET 19.A N THR 196.A O no hydrogen 2.671 N/A LYS 20.A NZ LYS 20.A O no hydrogen 3.165 N/A GLN 21.A NE2 MET 19.A O no hydrogen 2.298 N/A GLN 21.A NE2 ALA 197.A O no hydrogen 3.249 N/A THR 22.A N LYS 20.A O no hydrogen 2.859 N/A LEU 25.A N THR 22.A OG1 no hydrogen 2.924 N/A ARG 26.A N THR 22.A O no hydrogen 3.143 N/A ARG 26.A NH1 GLU 2.A OE1 no hydrogen 3.386 N/A ALA 27.A N ALA 23.A O no hydrogen 3.070 N/A MET 28.A N GLN 24.A O no hydrogen 2.944 N/A MET 29.A N LEU 25.A O no hydrogen 2.871 N/A THR 30.A N ARG 26.A O no hydrogen 2.441 N/A ILE 31.A N ALA 27.A O no hydrogen 3.060 N/A ILE 32.A N MET 28.A O no hydrogen 2.736 N/A ARG 33.A N MET 29.A O no hydrogen 3.012 N/A ARG 33.A NE GLY 212.A O no hydrogen 3.046 N/A ARG 33.A NH1 ASP 200.A OD1 no hydrogen 3.508 N/A ARG 33.A NH2 ASP 200.A OD1 no hydrogen 2.984 N/A ARG 33.A NH2 GLY 212.A O no hydrogen 3.172 N/A GLU 36.A N ASP 34.A OD1 no hydrogen 2.733 N/A THR 37.A OG1 ILE 31.A O no hydrogen 2.409 N/A THR 37.A OG1 ASP 34.A O no hydrogen 3.512 N/A PHE 42.A N PRO 38.A O no hydrogen 2.915 N/A VAL 43.A N LYS 39.A O no hydrogen 3.054 N/A PHE 44.A N GLU 40.A O no hydrogen 3.122 N/A TYR 45.A N GLU 41.A O no hydrogen 3.022 N/A ALA 46.A N PHE 42.A O no hydrogen 2.819 N/A ASP 47.A N VAL 43.A O no hydrogen 2.988 N/A ARG 48.A N PHE 44.A O no hydrogen 3.212 N/A ARG 48.A NH2 GLN 24.A OE1 no hydrogen 2.959 N/A LEU 49.A N TYR 45.A O no hydrogen 2.966 N/A ILE 50.A N ALA 46.A O no hydrogen 2.647 N/A ARG 51.A N ASP 47.A O no hydrogen 2.761 N/A LEU 52.A N ARG 48.A O no hydrogen 3.235 N/A LEU 53.A N LEU 49.A O no hydrogen 3.086 N/A ILE 54.A N ILE 50.A O no hydrogen 2.935 N/A GLU 55.A N ARG 51.A O no hydrogen 3.040 N/A GLU 56.A N LEU 52.A O no hydrogen 2.853 N/A ALA 57.A N LEU 53.A O no hydrogen 2.829 N/A LEU 58.A N ILE 54.A O no hydrogen 2.808 N/A ASN 59.A N GLU 56.A O no hydrogen 3.053 N/A GLU 60.A N ALA 57.A O no hydrogen 2.851 N/A LEU 61.A N LEU 58.A O no hydrogen 3.349 N/A GLN 64.A N SER 80.A O no hydrogen 2.451 N/A LYS 66.A N GLY 78.A O no hydrogen 2.794 N/A VAL 68.A N TYR 76.A O no hydrogen 2.497 N/A THR 69.A OG1 THR 70.A O no hydrogen 3.385 N/A THR 70.A N VAL 74.A O no hydrogen 2.570 N/A LEU 72.A N THR 70.A OG1 no hydrogen 2.925 N/A ASP 73.A N THR 70.A O no hydrogen 2.471 N/A TYR 76.A N VAL 68.A O no hydrogen 2.297 N/A GLY 78.A N LYS 66.A O no hydrogen 2.417 N/A CYS 86.A N TRP 139.A O no hydrogen 3.024 N/A GLY 87.A N ARG 109.A O no hydrogen 2.875 N/A VAL 88.A N MET 141.A O no hydrogen 2.760 N/A SER 89.A N GLY 111.A O no hydrogen 2.886 N/A SER 89.A OG GLU 98.A OE2 no hydrogen 2.429 N/A SER 89.A OG GLY 111.A O no hydrogen 3.412 N/A ILE 90.A N LEU 143.A O no hydrogen 2.909 N/A VAL 91.A N ILE 113.A O no hydrogen 2.808 N/A ARG 92.A NH1 THR 223.A OG1 no hydrogen 2.960 N/A ARG 92.A NH2 ASP 218.A OD1 no hydrogen 2.992 N/A GLY 94.A N ILE 90.A O no hydrogen 2.717 N/A GLU 95.A N ARG 92.A O no hydrogen 2.583 N/A SER 96.A N ALA 93.A O no hydrogen 3.035 N/A SER 96.A OG ALA 93.A O no hydrogen 2.526 N/A MET 97.A N GLY 94.A O no hydrogen 2.897 N/A GLU 98.A N GLU 95.A O no hydrogen 2.935 N/A LEU 101.A N MET 97.A O no hydrogen 3.288 N/A ARG 102.A N GLU 98.A O no hydrogen 2.791 N/A ARG 102.A NE VAL 108.A O no hydrogen 2.872 N/A ARG 102.A NH2 VAL 108.A O no hydrogen 2.739 N/A ALA 103.A N SER 99.A O no hydrogen 2.753 N/A VAL 104.A N GLY 100.A O no hydrogen 3.295 N/A CYS 105.A N LEU 101.A O no hydrogen 2.697 N/A VAL 108.A N CYS 105.A O no hydrogen 3.372 N/A GLY 111.A N GLY 87.A O no hydrogen 2.632 N/A LYS 112.A N LYS 130.A O no hydrogen 3.099 N/A LYS 112.A NZ GLU 95.A OE2 no hydrogen 3.181 N/A LYS 112.A NZ GLU 98.A OE2 no hydrogen 3.190 N/A ILE 113.A N SER 89.A O no hydrogen 3.102 N/A LEU 114.A N TYR 128.A O no hydrogen 2.772 N/A GLN 116.A N LYS 125.A O no hydrogen 3.182 N/A ARG 117.A NH1 ALA 122.A O no hydrogen 3.296 N/A ASP 118.A N GLU 123.A O no hydrogen 2.696 N/A THR 120.A N ASP 118.A OD1 no hydrogen 2.950 N/A THR 120.A OG1 ASP 118.A OD1 no hydrogen 3.370 N/A THR 121.A N ASP 118.A OD1 no hydrogen 2.709 N/A ALA 122.A N ASP 118.A O no hydrogen 2.625 N/A LYS 125.A N GLN 116.A O no hydrogen 2.903 N/A ILE 127.A N LEU 114.A O no hydrogen 2.938 N/A TYR 128.A N LEU 114.A O no hydrogen 3.305 N/A LYS 130.A N LYS 112.A O no hydrogen 2.902 N/A ILE 135.A N PRO 132.A O no hydrogen 3.147 N/A GLU 137.A N ASP 134.A O no hydrogen 2.679 N/A ARG 138.A N ILE 135.A O no hydrogen 2.955 N/A ARG 138.A NE ILE 85.A O no hydrogen 2.891 N/A ARG 138.A NH1 ASP 134.A OD1 no hydrogen 2.801 N/A ARG 138.A NH2 ILE 85.A O no hydrogen 3.524 N/A TRP 139.A N LYS 84.A O no hydrogen 2.901 N/A VAL 140.A N ARG 169.A O no hydrogen 3.021 N/A MET 141.A N CYS 86.A O no hydrogen 3.011 N/A LEU 142.A N ILE 171.A O no hydrogen 2.917 N/A LEU 143.A N VAL 88.A O no hydrogen 2.586 N/A ASP 144.A N VAL 173.A O no hydrogen 3.367 N/A CYS 147.A N LEU 176.A O no hydrogen 2.696 N/A CYS 154.A N ALA 150.A O no hydrogen 2.985 N/A CYS 154.A SG ALA 150.A O no hydrogen 3.047 N/A CYS 154.A SG GLU 188.A OE1 no hydrogen 3.876 N/A LYS 155.A N GLY 151.A O no hydrogen 3.474 N/A ALA 156.A N SER 152.A O no hydrogen 2.962 N/A ILE 157.A N VAL 153.A O no hydrogen 2.795 N/A GLU 158.A N CYS 154.A O no hydrogen 3.000 N/A VAL 159.A N LYS 155.A O no hydrogen 3.263 N/A LEU 160.A N ALA 156.A O no hydrogen 3.212 N/A LEU 161.A N ILE 157.A O no hydrogen 2.824 N/A ARG 162.A N GLU 158.A O no hydrogen 3.005 N/A LEU 163.A N VAL 159.A O no hydrogen 2.962 N/A LEU 163.A N LEU 160.A O no hydrogen 3.181 N/A GLY 164.A N LEU 161.A O no hydrogen 3.008 N/A VAL 165.A N LEU 160.A O no hydrogen 3.096 N/A LYS 166.A NZ GLY 164.A O no hydrogen 3.408 N/A GLU 168.A N GLU 168.A OE1 no hydrogen 2.623 N/A ARG 169.A N LYS 166.A O no hydrogen 2.904 N/A ILE 170.A N GLU 167.A O no hydrogen 3.179 N/A ILE 171.A N VAL 140.A O no hydrogen 2.755 N/A PHE 172.A N ARG 193.A O no hydrogen 2.691 N/A VAL 173.A N LEU 142.A O no hydrogen 2.865 N/A ASN 174.A N VAL 195.A O no hydrogen 2.976 N/A ASN 174.A ND2 ASP 144.A O no hydrogen 3.310 N/A ASN 174.A ND2 LEU 176.A O no hydrogen 3.011 N/A ILE 175.A N PRO 145.A O no hydrogen 3.038 N/A LEU 176.A N PRO 145.A O no hydrogen 2.825 N/A ALA 177.A N ALA 198.A O no hydrogen 3.101 N/A ALA 178.A N CYS 147.A O no hydrogen 2.825 N/A ILE 182.A N ALA 178.A O no hydrogen 2.964 N/A GLU 183.A N PRO 179.A O no hydrogen 2.893 N/A ARG 184.A N GLN 180.A O no hydrogen 2.998 N/A ARG 184.A NE GLU 188.A OE2 no hydrogen 3.165 N/A ARG 184.A NH2 GLU 188.A OE2 no hydrogen 3.079 N/A VAL 185.A N GLY 181.A O no hydrogen 3.041 N/A PHE 186.A N ILE 182.A O no hydrogen 3.066 N/A LYS 187.A N GLU 183.A O no hydrogen 2.846 N/A LYS 187.A N ARG 184.A O no hydrogen 2.803 N/A GLU 188.A N ARG 184.A O no hydrogen 2.978 N/A TYR 189.A N VAL 185.A O no hydrogen 2.661 N/A LYS 191.A N GLU 167.A OE2 no hydrogen 2.755 N/A VAL 192.A N TYR 189.A O no hydrogen 3.358 N/A ARG 193.A N ILE 170.A O no hydrogen 3.316 N/A ARG 193.A NH2 PRO 14.A O no hydrogen 3.228 N/A MET 194.A N ASN 15.A O no hydrogen 2.940 N/A VAL 195.A N PHE 172.A O no hydrogen 3.024 N/A THR 196.A N VAL 17.A O no hydrogen 2.803 N/A THR 196.A OG1 ASN 174.A O no hydrogen 3.415 N/A THR 196.A OG1 ASN 174.A OD1 no hydrogen 2.987 N/A THR 196.A OG1 ILE 175.A O no hydrogen 3.326 N/A THR 196.A OG1 ALA 198.A O no hydrogen 3.241 N/A ALA 197.A N ILE 175.A O no hydrogen 3.173 N/A ALA 198.A N THR 196.A OG1 no hydrogen 3.374 N/A ASP 200.A N ALA 177.A O no hydrogen 2.717 N/A CYS 202.A N VAL 210.A O no hydrogen 3.358 N/A ASN 204.A N TYR 208.A O no hydrogen 2.603 N/A TYR 207.A N ASN 204.A O no hydrogen 2.571 N/A TYR 208.A N ASN 204.A OD1 no hydrogen 2.923 N/A VAL 210.A N CYS 202.A O no hydrogen 2.869 N/A GLY 212.A N ASP 200.A OD2 no hydrogen 2.408 N/A ASP 218.A N ASP 215.A OD2 no hydrogen 2.901 N/A ARG 219.A N ASP 215.A O no hydrogen 2.879 N/A ARG 219.A NH1 ILE 213.A O no hydrogen 2.778 N/A ARG 219.A NH2 ASP 34.A O no hydrogen 2.717 N/A TYR 220.A N PHE 216.A O no hydrogen 2.719 N/A TYR 220.A OH ASP 47.A OD1 no hydrogen 2.576 N/A PHE 221.A N GLY 217.A O no hydrogen 2.975 N/A GLY 222.A N ASP 218.A O no hydrogen 3.018 N/A THR 223.A N ASP 218.A O no hydrogen 3.196 N/A THR 223.A OG1 ASP 218.A OD1 no hydrogen 2.526 N/A