Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 1upu_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): SER 4.A N GLN 1.A O no hydrogen 3.009 N/A SER 4.A OG GLN 1.A O no hydrogen 2.285 N/A ILE 5.A N GLN 1.A O no hydrogen 3.190 N/A LEU 6.A N GLU 2.A O no hydrogen 2.842 N/A GLN 7.A N GLU 3.A O no hydrogen 2.991 N/A ASP 8.A N SER 4.A O no hydrogen 3.061 N/A ILE 9.A N ILE 5.A O no hydrogen 3.133 N/A ILE 10.A N LEU 6.A O no hydrogen 2.827 N/A THR 11.A N GLN 7.A O no hydrogen 2.676 N/A THR 11.A OG1 GLN 7.A O no hydrogen 2.891 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 2.833 N/A ARG 12.A NE ASP 8.A OD2 no hydrogen 3.370 N/A ARG 12.A NH1 GLU 183.A OE1 no hydrogen 3.246 N/A ARG 12.A NH2 ASP 8.A OD2 no hydrogen 3.394 N/A PHE 13.A N ILE 9.A O no hydrogen 2.747 N/A VAL 16.A N PHE 13.A O no hydrogen 3.168 N/A VAL 17.A N MET 194.A O no hydrogen 2.723 N/A MET 19.A N THR 196.A O no hydrogen 2.966 N/A GLN 21.A NE2 MET 19.A O no hydrogen 2.630 N/A GLN 21.A NE2 ALA 197.A O no hydrogen 2.981 N/A LEU 25.A N THR 22.A OG1 no hydrogen 2.817 N/A ARG 26.A N THR 22.A O no hydrogen 2.876 N/A ARG 26.A NH1 GLU 2.A OE1 no hydrogen 3.253 N/A ALA 27.A N ALA 23.A O no hydrogen 2.697 N/A MET 28.A N GLN 24.A O no hydrogen 2.911 N/A MET 29.A N LEU 25.A O no hydrogen 2.772 N/A THR 30.A N ARG 26.A O no hydrogen 2.629 N/A ILE 31.A N ALA 27.A O no hydrogen 3.078 N/A ILE 32.A N MET 28.A O no hydrogen 3.078 N/A ARG 33.A N MET 29.A O no hydrogen 3.036 N/A ARG 33.A NE GLY 212.A O no hydrogen 3.358 N/A ARG 33.A NH2 ASP 200.A OD1 no hydrogen 2.539 N/A ASP 34.A N THR 30.A O no hydrogen 3.126 N/A GLU 36.A N ASP 34.A OD1 no hydrogen 2.614 N/A THR 37.A N ASP 34.A O no hydrogen 3.244 N/A THR 37.A OG1 ILE 31.A O no hydrogen 2.404 N/A THR 37.A OG1 ASP 34.A O no hydrogen 3.280 N/A PHE 42.A N PRO 38.A O no hydrogen 2.814 N/A VAL 43.A N LYS 39.A O no hydrogen 2.946 N/A PHE 44.A N GLU 40.A O no hydrogen 2.967 N/A TYR 45.A N GLU 41.A O no hydrogen 3.004 N/A ALA 46.A N PHE 42.A O no hydrogen 2.995 N/A ASP 47.A N VAL 43.A O no hydrogen 3.046 N/A ARG 48.A N PHE 44.A O no hydrogen 2.968 N/A LEU 49.A N TYR 45.A O no hydrogen 2.863 N/A ILE 50.A N ALA 46.A O no hydrogen 2.644 N/A ARG 51.A N ASP 47.A O no hydrogen 2.951 N/A LEU 52.A N ARG 48.A O no hydrogen 3.343 N/A LEU 53.A N LEU 49.A O no hydrogen 2.975 N/A ILE 54.A N ILE 50.A O no hydrogen 2.745 N/A GLU 55.A N ARG 51.A O no hydrogen 3.047 N/A GLU 56.A N LEU 52.A O no hydrogen 2.901 N/A ALA 57.A N LEU 53.A O no hydrogen 2.787 N/A LEU 58.A N ILE 54.A O no hydrogen 2.939 N/A ASN 59.A N GLU 56.A O no hydrogen 3.088 N/A GLU 60.A N ALA 57.A O no hydrogen 2.771 N/A LEU 61.A N LEU 58.A O no hydrogen 3.217 N/A GLN 64.A N SER 80.A O no hydrogen 2.719 N/A LYS 65.A NZ LYS 65.A O no hydrogen 3.551 N/A LYS 66.A N GLY 78.A O no hydrogen 2.699 N/A VAL 68.A N TYR 76.A O no hydrogen 2.924 N/A THR 69.A OG1 THR 70.A O no hydrogen 3.413 N/A THR 70.A N VAL 74.A O no hydrogen 2.663 N/A ASP 73.A N THR 70.A O no hydrogen 2.688 N/A TYR 76.A N VAL 68.A O no hydrogen 2.447 N/A GLY 78.A N LYS 66.A O no hydrogen 2.491 N/A CYS 86.A N TRP 139.A O no hydrogen 3.046 N/A GLY 87.A N ARG 109.A O no hydrogen 2.839 N/A VAL 88.A N MET 141.A O no hydrogen 2.735 N/A SER 89.A N GLY 111.A O no hydrogen 2.981 N/A SER 89.A OG GLU 98.A OE2 no hydrogen 2.607 N/A SER 89.A OG GLY 111.A O no hydrogen 3.437 N/A ILE 90.A N LEU 143.A O no hydrogen 3.111 N/A VAL 91.A N ILE 113.A O no hydrogen 3.071 N/A ARG 92.A NH1 THR 223.A OG1 no hydrogen 2.959 N/A ARG 92.A NH2 ASP 218.A OD1 no hydrogen 2.759 N/A GLY 94.A N ILE 90.A O no hydrogen 2.608 N/A GLU 95.A N ARG 92.A O no hydrogen 2.555 N/A SER 96.A N ALA 93.A O no hydrogen 3.259 N/A SER 96.A OG ALA 93.A O no hydrogen 2.697 N/A MET 97.A N GLY 94.A O no hydrogen 2.928 N/A GLU 98.A N GLU 95.A O no hydrogen 2.854 N/A SER 99.A OG SER 96.A O no hydrogen 3.370 N/A LEU 101.A N MET 97.A O no hydrogen 3.169 N/A ARG 102.A N GLU 98.A O no hydrogen 2.949 N/A ARG 102.A NE VAL 108.A O no hydrogen 3.038 N/A ARG 102.A NH2 VAL 108.A O no hydrogen 2.724 N/A ALA 103.A N SER 99.A O no hydrogen 2.965 N/A VAL 104.A N GLY 100.A O no hydrogen 3.304 N/A VAL 104.A N LEU 101.A O no hydrogen 3.285 N/A CYS 105.A N LEU 101.A O no hydrogen 2.862 N/A VAL 108.A N CYS 105.A O no hydrogen 3.070 N/A GLY 111.A N GLY 87.A O no hydrogen 2.781 N/A LYS 112.A N LYS 130.A O no hydrogen 2.925 N/A LYS 112.A NZ GLU 95.A OE2 no hydrogen 2.567 N/A LYS 112.A NZ GLU 98.A OE2 no hydrogen 3.035 N/A ILE 113.A N SER 89.A O no hydrogen 3.080 N/A LEU 114.A N TYR 128.A O no hydrogen 2.577 N/A GLN 116.A N LYS 125.A O no hydrogen 2.861 N/A ARG 117.A NH1 ALA 122.A O no hydrogen 2.940 N/A ASP 118.A N GLU 123.A O no hydrogen 2.711 N/A THR 120.A N ASP 118.A OD1 no hydrogen 2.504 N/A THR 121.A N ASP 118.A OD1 no hydrogen 2.264 N/A ALA 122.A N ASP 118.A O no hydrogen 2.560 N/A LYS 125.A N GLN 116.A O no hydrogen 2.899 N/A ILE 127.A N LEU 114.A O no hydrogen 2.746 N/A TYR 128.A N LEU 114.A O no hydrogen 3.241 N/A LYS 130.A N LYS 112.A O no hydrogen 2.869 N/A ILE 135.A N PRO 132.A O no hydrogen 3.128 N/A GLU 137.A N ASP 134.A O no hydrogen 2.765 N/A ARG 138.A N ILE 135.A O no hydrogen 3.097 N/A ARG 138.A NE ILE 85.A O no hydrogen 2.974 N/A ARG 138.A NH1 ASP 134.A OD1 no hydrogen 2.891 N/A ARG 138.A NH2 ILE 85.A O no hydrogen 2.951 N/A TRP 139.A N LYS 84.A O no hydrogen 2.848 N/A VAL 140.A N ARG 169.A O no hydrogen 2.896 N/A MET 141.A N CYS 86.A O no hydrogen 2.964 N/A LEU 142.A N ILE 171.A O no hydrogen 2.817 N/A LEU 143.A N VAL 88.A O no hydrogen 2.751 N/A ASP 144.A N VAL 173.A O no hydrogen 3.304 N/A CYS 147.A N LEU 176.A O no hydrogen 2.956 N/A GLY 151.A N THR 149.A OG1 no hydrogen 3.179 N/A CYS 154.A N ALA 150.A O no hydrogen 2.939 N/A LYS 155.A N GLY 151.A O no hydrogen 3.059 N/A LYS 155.A NZ GLU 158.A OE2 no hydrogen 3.248 N/A ALA 156.A N SER 152.A O no hydrogen 2.893 N/A ILE 157.A N VAL 153.A O no hydrogen 2.820 N/A GLU 158.A N CYS 154.A O no hydrogen 2.947 N/A VAL 159.A N LYS 155.A O no hydrogen 2.984 N/A LEU 160.A N ALA 156.A O no hydrogen 3.063 N/A LEU 161.A N ILE 157.A O no hydrogen 2.880 N/A ARG 162.A N GLU 158.A O no hydrogen 3.102 N/A LEU 163.A N VAL 159.A O no hydrogen 3.269 N/A LEU 163.A N LEU 160.A O no hydrogen 2.997 N/A GLY 164.A N LEU 161.A O no hydrogen 3.038 N/A VAL 165.A N LEU 160.A O no hydrogen 3.190 N/A LYS 166.A NZ GLY 164.A O no hydrogen 2.693 N/A GLU 168.A N GLU 168.A OE1 no hydrogen 2.976 N/A ARG 169.A N LYS 166.A O no hydrogen 2.677 N/A ILE 170.A N GLU 167.A O no hydrogen 3.212 N/A ILE 171.A N VAL 140.A O no hydrogen 2.665 N/A PHE 172.A N ARG 193.A O no hydrogen 2.715 N/A VAL 173.A N LEU 142.A O no hydrogen 2.762 N/A ASN 174.A N VAL 195.A O no hydrogen 2.858 N/A ASN 174.A ND2 ASP 144.A O no hydrogen 3.160 N/A ASN 174.A ND2 LEU 176.A O no hydrogen 2.957 N/A ILE 175.A N PRO 145.A O no hydrogen 2.844 N/A LEU 176.A N PRO 145.A O no hydrogen 2.834 N/A ALA 177.A N ALA 198.A O no hydrogen 3.079 N/A ALA 178.A N CYS 147.A O no hydrogen 2.971 N/A ILE 182.A N ALA 178.A O no hydrogen 3.185 N/A GLU 183.A N PRO 179.A O no hydrogen 2.846 N/A ARG 184.A N GLN 180.A O no hydrogen 2.817 N/A ARG 184.A NE GLU 188.A OE2 no hydrogen 3.093 N/A ARG 184.A NH2 GLU 188.A OE2 no hydrogen 3.525 N/A VAL 185.A N GLY 181.A O no hydrogen 2.918 N/A PHE 186.A N ILE 182.A O no hydrogen 3.166 N/A LYS 187.A N GLU 183.A O no hydrogen 2.958 N/A GLU 188.A N ARG 184.A O no hydrogen 3.006 N/A TYR 189.A N VAL 185.A O no hydrogen 2.607 N/A LYS 191.A N GLU 167.A OE2 no hydrogen 2.876 N/A VAL 192.A N TYR 189.A O no hydrogen 3.303 N/A ARG 193.A N ILE 170.A O no hydrogen 3.188 N/A MET 194.A N ASN 15.A O no hydrogen 3.019 N/A VAL 195.A N PHE 172.A O no hydrogen 2.789 N/A THR 196.A N VAL 17.A O no hydrogen 2.952 N/A THR 196.A OG1 ASN 174.A O no hydrogen 3.433 N/A THR 196.A OG1 ASN 174.A OD1 no hydrogen 2.807 N/A THR 196.A OG1 ILE 175.A O no hydrogen 3.136 N/A THR 196.A OG1 ALA 198.A O no hydrogen 3.456 N/A ALA 197.A N ILE 175.A O no hydrogen 3.072 N/A ALA 198.A N ILE 175.A O no hydrogen 2.986 N/A ASP 200.A N ALA 177.A O no hydrogen 2.732 N/A ILE 201.A N VAL 210.A O no hydrogen 3.089 N/A CYS 202.A N VAL 210.A O no hydrogen 3.329 N/A CYS 202.A SG LEU 203.A O no hydrogen 3.561 N/A ASN 204.A N TYR 208.A O no hydrogen 2.619 N/A ARG 206.A N ASN 204.A OD1 no hydrogen 3.309 N/A TYR 207.A N ASN 204.A O no hydrogen 2.466 N/A TYR 208.A N ASN 204.A OD1 no hydrogen 2.978 N/A VAL 210.A N CYS 202.A O no hydrogen 2.766 N/A GLY 212.A N ASP 200.A OD2 no hydrogen 2.600 N/A ASP 218.A N ASP 215.A O no hydrogen 3.000 N/A ASP 218.A N ASP 215.A OD1 no hydrogen 2.895 N/A ARG 219.A N ASP 215.A O no hydrogen 3.021 N/A ARG 219.A NH1 ILE 213.A O no hydrogen 2.838 N/A ARG 219.A NH2 ASP 34.A O no hydrogen 2.819 N/A TYR 220.A N PHE 216.A O no hydrogen 2.736 N/A TYR 220.A OH ASP 47.A OD1 no hydrogen 2.698 N/A PHE 221.A N GLY 217.A O no hydrogen 3.115 N/A GLY 222.A N ASP 218.A O no hydrogen 2.830 N/A THR 223.A N ASP 218.A O no hydrogen 3.072 N/A THR 223.A OG1 ASP 218.A OD1 no hydrogen 2.674 N/A