Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3vbx_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): GLN 5.A N ILE 22.A O no hydrogen 2.866 N/A GLY 7.A N SER 20.A O no hydrogen 2.514 N/A LEU 10.A N VAL 18.A O no hydrogen 2.691 N/A GLY 13.A N GLY 16.A O no hydrogen 2.746 N/A GLY 16.A N GLY 13.A O no hydrogen 2.935 N/A SER 17.A N HIS 34.A O no hydrogen 3.375 N/A VAL 18.A N GLY 11.A O no hydrogen 2.899 N/A TYR 19.A N ILE 32.A O no hydrogen 2.717 N/A SER 20.A N PRO 8.A O no hydrogen 2.932 N/A GLY 21.A N VAL 30.A O no hydrogen 2.851 N/A ILE 22.A N GLN 5.A O no hydrogen 2.949 N/A ARG 23.A N LEU 28.A O no hydrogen 2.860 N/A ARG 23.A NH1 ASP 26.A OD1 no hydrogen 3.381 N/A ARG 23.A NH1 ASP 26.A OD2 no hydrogen 2.521 N/A VAL 24.A N GLN 3.A O no hydrogen 2.902 N/A ASP 26.A N ARG 23.A O no hydrogen 3.429 N/A LEU 28.A N ASP 26.A OD1 no hydrogen 3.041 N/A VAL 30.A N GLY 21.A O no hydrogen 2.934 N/A ALA 31.A N LEU 83.A O no hydrogen 2.922 N/A ILE 32.A N TYR 19.A O no hydrogen 2.789 N/A LYS 33.A N LEU 81.A O no hydrogen 2.906 N/A LYS 33.A NZ GLU 52.A OE2 no hydrogen 2.682 N/A LYS 33.A NZ ASP 149.A OD1.A no hydrogen 3.097 N/A LYS 33.A NZ ASP 149.A OD1.B no hydrogen 2.430 N/A HIS 34.A N SER 17.A O no hydrogen 2.982 N/A VAL 35.A N PHE 79.A O no hydrogen 2.830 N/A LYS 37.A N ASP 77.A O no hydrogen 2.838 N/A LYS 37.A NZ GLU 74.A OE2 no hydrogen 2.772 N/A LYS 37.A NZ ARG 75.A O no hydrogen 2.527 N/A LYS 37.A NZ PRO 76.A O no hydrogen 3.018 N/A ARG 39.A N GLU 36.A O no hydrogen 3.054 N/A ILE 40.A N LYS 37.A O no hydrogen 3.306 N/A TRP 43.A NE1 ILE 40.A O no hydrogen 2.853 N/A GLY 44.A N VAL 49.A O no hydrogen 2.827 N/A VAL 49.A N GLY 44.A O no hydrogen 3.226 N/A MET 51.A N ASP 42.A O no hydrogen 2.825 N/A VAL 53.A N PRO 50.A O no hydrogen 2.896 N/A VAL 54.A N PRO 50.A O no hydrogen 3.285 N/A LEU 55.A N MET 51.A O no hydrogen 2.923 N/A LEU 56.A N GLU 52.A O no hydrogen 2.958 N/A LYS 57.A N VAL 53.A O no hydrogen 2.943 N/A LYS 58.A N VAL 54.A O no hydrogen 3.120 N/A LYS 58.A NZ CYS 124.A O no hydrogen 3.230 N/A VAL 59.A N LEU 55.A O no hydrogen 3.050 N/A VAL 59.A N LEU 56.A O no hydrogen 3.154 N/A SER 60.A N LYS 57.A O no hydrogen 3.363 N/A SER 60.A OG LEU 56.A O no hydrogen 2.675 N/A PHE 63.A N SER 61.A O no hydrogen 3.095 N/A ILE 67.A N LEU 147.A O no hydrogen 3.080 N/A ARG 68.A N GLU 84.A OE1 no hydrogen 2.858 N/A LEU 69.A N SER 60.A OG no hydrogen 2.940 N/A LEU 70.A N ILE 82.A O no hydrogen 2.728 N/A ASP 71.A N ILE 82.A O no hydrogen 3.386 N/A TRP 72.A N ASP 71.A OD1 no hydrogen 2.919 N/A PHE 73.A N VAL 80.A O no hydrogen 2.764 N/A ARG 75.A N SER 78.A O no hydrogen 2.708 N/A PHE 79.A N VAL 35.A O no hydrogen 2.865 N/A VAL 80.A N PHE 73.A O no hydrogen 2.977 N/A LEU 81.A N LYS 33.A O no hydrogen 2.753 N/A ILE 82.A N ASP 71.A O no hydrogen 2.767 N/A LEU 83.A N ALA 31.A O no hydrogen 2.784 N/A GLU 84.A N ARG 68.A O no hydrogen 3.028 N/A ARG 85.A NE VAL 30.A O no hydrogen 2.811 N/A ARG 85.A NH1 GLU 87.A OE2 no hydrogen 3.225 N/A ARG 85.A NH2 GLY 21.A O no hydrogen 2.790 N/A GLN 90.A N ILE 138.A O no hydrogen 3.193 N/A GLN 90.A NE2 GLU 98.A OE1 no hydrogen 3.311 N/A LEU 92.A N ILE 136.A O no hydrogen 2.724 N/A PHE 93.A N ASP 133.A O no hydrogen 3.206 N/A ASP 94.A N ASP 91.A OD1 no hydrogen 2.575 N/A PHE 95.A N ASP 91.A O no hydrogen 3.064 N/A ILE 96.A N LEU 92.A O no hydrogen 2.928 N/A THR 97.A N PHE 93.A O no hydrogen 2.866 N/A THR 97.A OG1 PHE 93.A O no hydrogen 3.163 N/A GLU 98.A N ASP 94.A O no hydrogen 2.938 N/A ARG 99.A N PHE 95.A O no hydrogen 2.914 N/A ARG 99.A NH1 HIS 266.A O no hydrogen 3.152 N/A ARG 99.A NH2 HIS 266.A O no hydrogen 2.992 N/A GLY 100.A N ILE 96.A O no hydrogen 2.840 N/A LEU 102.A N MET 198.A O no hydrogen 2.839 N/A LEU 106.A N GLN 103.A O no hydrogen 2.925 N/A ALA 107.A N GLN 103.A O no hydrogen 3.004 N/A ARG 108.A N GLU 104.A O no hydrogen 2.803 N/A ARG 108.A NE TRP 252.A O no hydrogen 2.679 N/A ARG 108.A NH2 TRP 252.A O no hydrogen 3.262 N/A SER 109.A N GLU 105.A O no hydrogen 3.199 N/A SER 109.A OG THR 262.A OG1 no hydrogen 2.666 N/A PHE 110.A N LEU 106.A O no hydrogen 2.897 N/A PHE 111.A N ALA 107.A O no hydrogen 2.704 N/A TRP 112.A N ARG 108.A O no hydrogen 2.839 N/A GLN 113.A N SER 109.A O no hydrogen 3.113 N/A GLN 113.A NE2 GLY 143.A O no hydrogen 2.859 N/A VAL 114.A N PHE 110.A O no hydrogen 2.963 N/A LEU 115.A N PHE 111.A O no hydrogen 2.921 N/A GLU 116.A N TRP 112.A O no hydrogen 2.963 N/A ALA 117.A N GLN 113.A O no hydrogen 3.112 N/A VAL 118.A N VAL 114.A O no hydrogen 2.854 N/A ARG 119.A N LEU 115.A O no hydrogen 2.896 N/A ARG 119.A NH1 GLN 248.A OE1 no hydrogen 3.049 N/A HIS 120.A N GLU 116.A O no hydrogen 2.929 N/A HIS 120.A NE2 VAL 59.A O no hydrogen 2.815 N/A CYS 121.A N ALA 117.A O no hydrogen 2.947 N/A CYS 121.A SG ALA 117.A O no hydrogen 3.417 N/A HIS 122.A N VAL 118.A O no hydrogen 2.870 N/A ASN 123.A N ARG 119.A O no hydrogen 2.732 N/A CYS 124.A N HIS 120.A O no hydrogen 2.947 N/A CYS 124.A N CYS 121.A O no hydrogen 2.969 N/A CYS 124.A SG LYS 58.A O no hydrogen 3.332 N/A CYS 124.A SG HIS 120.A O no hydrogen 3.346 N/A GLY 125.A N HIS 122.A O no hydrogen 2.960 N/A VAL 126.A N CYS 121.A O no hydrogen 2.899 N/A LEU 127.A N ALA 154.A O no hydrogen 2.803 N/A HIS 128.A NE2 ILE 148.A O no hydrogen 2.912 N/A ARG 129.A NE SER 152.A O no hydrogen 2.832 N/A ARG 129.A NH1 ASP 163.A OD1 no hydrogen 3.076 N/A ARG 129.A NH1 ASP 163.A OD2 no hydrogen 3.397 N/A ARG 129.A NH1 TYR 181.A OH no hydrogen 2.884 N/A ARG 129.A NH2 SER 152.A O no hydrogen 3.209 N/A ARG 129.A NH2 GLY 153.A O no hydrogen 3.224 N/A ARG 129.A NH2 ASP 163.A OD1 no hydrogen 3.113 N/A ASP 130.A N HIS 128.A ND1 no hydrogen 2.906 N/A LYS 132.A NZ GLU 134.A OE1 no hydrogen 2.831 N/A LYS 132.A NZ THR 167.A OG1 no hydrogen 2.789 N/A ASN 135.A N LYS 132.A O no hydrogen 2.913 N/A ASN 135.A ND2 ASP 130.A O no hydrogen 2.747 N/A ASN 135.A ND2 ASP 130.A OD2 no hydrogen 2.892 N/A ILE 136.A N ASP 133.A O no hydrogen 3.275 N/A LEU 137.A N LYS 146.A O no hydrogen 2.845 N/A ILE 138.A N GLN 90.A O no hydrogen 2.868 N/A ASP 139.A N GLU 144.A O no hydrogen 2.821 N/A LEU 140.A N PRO 88.A O no hydrogen 3.137 N/A ARG 142.A N ASP 139.A OD1 no hydrogen 3.060 N/A GLY 143.A N ASP 139.A O no hydrogen 2.797 N/A GLU 144.A N ASP 139.A O no hydrogen 3.390 N/A LEU 145.A N GLN 113.A OE1 no hydrogen 2.869 N/A LYS 146.A N LEU 137.A O no hydrogen 2.767 N/A LYS 146.A NZ SER 64.A O no hydrogen 2.160 N/A LEU 147.A N GLY 65.A O no hydrogen 2.991 N/A ILE 148.A N ASN 135.A O no hydrogen 2.976 N/A GLY 151.A N ASP 149.A OD1.A no hydrogen 2.963 N/A SER 152.A OG ASP 165.A O no hydrogen 3.234 N/A GLY 153.A N PHE 150.A O no hydrogen 2.851 N/A ALA 154.A N LEU 127.A O no hydrogen 2.795 N/A LEU 156.A N GLY 125.A O no hydrogen 2.755 N/A LYS 157.A N TYR 161.A OH no hydrogen 2.966 N/A LYS 157.A NZ VAL 160.A O no hydrogen 3.391 N/A TYR 161.A N TYR 181.A O no hydrogen 2.707 N/A TYR 161.A OH LEU 155.A O no hydrogen 2.666 N/A THR 167.A OG1 ASP 130.A OD1 no hydrogen 2.711 N/A ARG 168.A NE ASP 208.A OD1 no hydrogen 2.920 N/A ARG 168.A NE ASP 208.A OD2 no hydrogen 3.353 N/A ARG 168.A NH2 ASP 208.A OD2 no hydrogen 2.841 N/A TYR 170.A N THR 167.A O no hydrogen 3.177 N/A SER 171.A N ARG 168.A O no hydrogen 2.842 N/A SER 171.A OG ARG 168.A O no hydrogen 2.677 N/A GLU 174.A N GLU 174.A OE1 no hydrogen 2.654 N/A TRP 175.A N PRO 172.A O no hydrogen 2.992 N/A ILE 176.A N PRO 172.A O no hydrogen 3.028 N/A ARG 177.A N PRO 173.A O no hydrogen 2.802 N/A TYR 178.A N GLU 174.A O no hydrogen 2.971 N/A HIS 179.A N TRP 175.A O no hydrogen 2.818 N/A HIS 179.A ND1 TRP 175.A O no hydrogen 3.046 N/A TYR 181.A N TYR 161.A O no hydrogen 3.083 N/A TYR 181.A OH ASP 163.A O no hydrogen 2.535 N/A ARG 184.A NH1 ASP 158.A OD1 no hydrogen 2.831 N/A ARG 184.A NH2 ASP 158.A OD1 no hydrogen 2.724 N/A SER 185.A OG HIS 182.A O no hydrogen 3.542 N/A ALA 186.A N HIS 182.A O no hydrogen 3.103 N/A ALA 187.A N GLY 183.A O no hydrogen 2.968 N/A VAL 188.A N ARG 184.A O no hydrogen 2.894 N/A TRP 189.A N SER 185.A O no hydrogen 3.021 N/A SER 190.A N ALA 186.A O no hydrogen 3.065 N/A SER 190.A OG ALA 187.A O no hydrogen 2.725 N/A LEU 191.A N ALA 187.A O no hydrogen 2.892 N/A GLY 192.A N VAL 188.A O no hydrogen 2.928 N/A ILE 193.A N TRP 189.A O no hydrogen 3.025 N/A LEU 194.A N SER 190.A O no hydrogen 2.858 N/A LEU 195.A N LEU 191.A O no hydrogen 2.838 N/A TYR 196.A N GLY 192.A O no hydrogen 2.938 N/A TYR 196.A OH PHE 217.A O no hydrogen 2.504 N/A ASP 197.A N ILE 193.A O no hydrogen 2.883 N/A MET 198.A N LEU 194.A O no hydrogen 2.987 N/A VAL 199.A N LEU 195.A O no hydrogen 3.079 N/A CYS 200.A N TYR 196.A O no hydrogen 2.803 N/A GLY 201.A N ASP 197.A O no hydrogen 2.752 N/A ILE 203.A N ASP 202.A OD1 no hydrogen 2.801 N/A GLU 206.A N GLU 210.A OE2 no hydrogen 2.599 N/A HIS 207.A N GLU 210.A OE2 no hydrogen 2.986 N/A ILE 211.A N HIS 207.A O no hydrogen 3.213 N/A ILE 212.A N ASP 208.A O no hydrogen 2.919 N/A ARG 213.A N GLU 209.A O no hydrogen 2.953 N/A GLY 214.A N GLU 210.A O no hydrogen 2.831 N/A GLN 215.A NE2 VAL 216.A O no hydrogen 3.543 N/A ARG 219.A NE TYR 196.A OH no hydrogen 3.118 N/A SER 223.A N GLU 104.A OE2 no hydrogen 2.827 N/A SER 223.A OG GLU 104.A OE1 no hydrogen 2.674 N/A SER 223.A OG GLU 104.A OE2 no hydrogen 3.440 N/A GLU 225.A N GLU 225.A OE1 no hydrogen 2.876 N/A CYS 226.A N SER 223.A OG no hydrogen 3.114 N/A GLN 227.A N SER 223.A O no hydrogen 2.967 N/A GLN 227.A NE2 VAL 222.A O no hydrogen 3.282 N/A HIS 228.A N SER 224.A O no hydrogen 2.900 N/A HIS 228.A ND1 HIS 250.A NE2 no hydrogen 2.853 N/A LEU 229.A N GLU 225.A O no hydrogen 2.990 N/A ILE 230.A N CYS 226.A O no hydrogen 2.977 N/A ARG 231.A N GLN 227.A O no hydrogen 2.814 N/A ARG 231.A NH1 GLN 227.A OE1 no hydrogen 2.835 N/A ARG 231.A NH2 VAL 216.A O no hydrogen 2.571 N/A TRP 232.A N HIS 228.A O no hydrogen 2.752 N/A CYS 233.A N LEU 229.A O no hydrogen 2.944 N/A CYS 233.A SG LEU 229.A O no hydrogen 3.490 N/A LEU 234.A N ILE 230.A O no hydrogen 2.946 N/A ALA 235.A N TRP 232.A O no hydrogen 3.082 N/A ASP 240.A N ARG 237.A O no hydrogen 2.905 N/A ARG 241.A N PRO 238.A O no hydrogen 3.087 N/A ARG 241.A NE ALA 235.A O no hydrogen 2.835 N/A ARG 241.A NH1 GLU 174.A OE2 no hydrogen 2.699 N/A ARG 241.A NH1 SER 185.A O no hydrogen 2.934 N/A ARG 241.A NH2 GLU 174.A OE1 no hydrogen 2.809 N/A ARG 241.A NH2 GLU 174.A OE2 no hydrogen 3.550 N/A ARG 241.A NH2 ALA 235.A O no hydrogen 3.116 N/A THR 243.A N GLU 246.A OE1 no hydrogen 2.899 N/A THR 243.A OG1 GLU 246.A OE1 no hydrogen 3.460 N/A GLU 246.A N THR 243.A OG1 no hydrogen 3.052 N/A ILE 247.A N THR 243.A O no hydrogen 2.998 N/A GLN 248.A N PHE 244.A O no hydrogen 2.962 N/A GLN 248.A NE2 GLU 116.A OE2 no hydrogen 2.727 N/A ASN 249.A N GLU 245.A O no hydrogen 2.966 N/A HIS 250.A N ILE 247.A O no hydrogen 2.913 N/A HIS 250.A NE2 HIS 228.A ND1 no hydrogen 2.853 N/A TRP 252.A N HIS 250.A ND1 no hydrogen 2.885 N/A TRP 252.A NE1 GLU 104.A OE1 no hydrogen 2.743 N/A MET 253.A N HIS 250.A O no hydrogen 2.825 N/A GLN 254.A N PRO 251.A O no hydrogen 3.402 N/A GLN 254.A NE2 GLN 248.A O no hydrogen 3.046 N/A GLN 254.A NE2 HIS 250.A O no hydrogen 3.086 N/A LEU 258.A N GLU 261.A OE1 no hydrogen 2.818 N/A GLN 260.A NE2 ASN 141.A O no hydrogen 3.107 N/A GLN 260.A NE2 GLN 260.A O no hydrogen 3.186 N/A THR 262.A N LEU 258.A O no hydrogen 2.988 N/A THR 262.A OG1 SER 109.A OG no hydrogen 2.666 N/A THR 262.A OG1 LEU 258.A O no hydrogen 2.802 N/A ALA 263.A N PRO 259.A O no hydrogen 2.859 N/A GLU 264.A N GLN 260.A O no hydrogen 3.038 N/A ILE 265.A N GLU 261.A O no hydrogen 2.939 N/A HIS 266.A N THR 262.A O no hydrogen 3.021 N/A HIS 266.A NE2 GLU 105.A OE1 no hydrogen 2.632 N/A LEU 267.A N ALA 263.A O no hydrogen 2.839 N/A