Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 6puk_E.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): THR 4.A N ALA 23.A O no hydrogen 2.796 N/A GLN 5.A NE2 TYR 88.A O no hydrogen 3.030 N/A GLN 5.A NE2 SER 109.A OG no hydrogen 2.874 N/A THR 6.A N GLN 21.A O no hydrogen 3.063 N/A GLN 10.A N ARG 110.A O no hydrogen 3.016 N/A LEU 12.A N THR 112.A O no hydrogen 2.799 N/A LYS 13.A N GLN 16.A OE1 no hydrogen 2.629 N/A LYS 13.A NZ GLU 115.A O no hydrogen 3.333 N/A THR 14.A N LEU 114.A O no hydrogen 2.777 N/A THR 14.A OG1 LEU 114.A O no hydrogen 3.049 N/A THR 14.A OG1 GLU 115.A OE1 no hydrogen 2.667 N/A GLY 15.A N ALA 80.A O no hydrogen 2.941 N/A GLN 16.A N LYS 13.A O no hydrogen 3.035 N/A SER 17.A OG GLU 78.A O no hydrogen 2.831 N/A MET 18.A N LEU 77.A O no hydrogen 3.046 N/A LEU 20.A N LEU 75.A O no hydrogen 2.682 N/A GLN 21.A N THR 6.A O no hydrogen 2.999 N/A ALA 23.A N THR 4.A O no hydrogen 2.741 N/A GLN 24.A N ARG 71.A O no hydrogen 2.976 N/A GLN 24.A NE2 HIS 28.A O no hydrogen 2.924 N/A GLN 24.A NE2 LYS 70.A O no hydrogen 2.792 N/A MET 26.A N GLN 24.A OE1 no hydrogen 3.085 N/A HIS 28.A N GLN 24.A OE1 no hydrogen 3.200 N/A HIS 28.A ND1 SER 92.A OG no hydrogen 3.014 N/A ASN 29.A N VAL 94.A O no hydrogen 3.122 N/A ASN 29.A ND2 VAL 94.A O no hydrogen 2.980 N/A SER 30.A N SER 93.A O no hydrogen 3.175 N/A SER 30.A OG ALA 49.A O no hydrogen 2.743 N/A MET 31.A N SER 48.A O no hydrogen 2.976 N/A TYR 32.A N ALA 91.A O no hydrogen 2.794 N/A TYR 32.A OH SER 93.A OG no hydrogen 2.862 N/A TRP 33.A N TYR 46.A O no hydrogen 2.921 N/A TRP 33.A NE1 PHE 73.A O no hydrogen 2.867 N/A TYR 34.A N PHE 89.A O no hydrogen 2.636 N/A ARG 35.A N ARG 43.A O no hydrogen 3.182 N/A ARG 35.A NE ASP 37.A OD2 no hydrogen 2.778 N/A ARG 35.A NH1 SER 83.A O no hydrogen 3.559 N/A ARG 35.A NH2 ASP 37.A OD1 no hydrogen 3.054 N/A ARG 35.A NH2 ASP 37.A OD2 no hydrogen 3.097 N/A ARG 35.A NH2 SER 83.A O no hydrogen 3.063 N/A GLN 36.A N VAL 87.A O no hydrogen 2.747 N/A ARG 43.A N ARG 35.A O no hydrogen 3.321 N/A ARG 43.A NH2 ASP 37.A OD2 no hydrogen 2.784 N/A ILE 45.A N TRP 33.A O no hydrogen 2.768 N/A TYR 46.A OH TYR 63.A O no hydrogen 3.332 N/A TYR 47.A N ASP 55.A O no hydrogen 3.169 N/A SER 48.A N MET 31.A O no hydrogen 2.767 N/A SER 48.A OG SER 50.A O no hydrogen 2.990 N/A SER 48.A OG THR 53.A O no hydrogen 2.605 N/A THR 53.A N SER 50.A O no hydrogen 3.294 N/A ASP 55.A N TYR 47.A O no hydrogen 3.027 N/A LYS 56.A N ASP 55.A OD1 no hydrogen 2.821 N/A GLY 57.A N ILE 45.A O no hydrogen 2.716 N/A GLU 58.A N LEU 44.A O no hydrogen 2.582 N/A VAL 59.A N LEU 44.A O no hydrogen 3.079 N/A TYR 63.A N PRO 60.A O no hydrogen 3.036 N/A TYR 63.A OH TYR 88.A OH no hydrogen 2.776 N/A ASN 64.A N ARG 76.A O no hydrogen 3.117 N/A SER 66.A N SER 74.A O no hydrogen 3.143 N/A ARG 67.A NE ASN 69.A O no hydrogen 2.836 N/A ARG 67.A NH1 ASN 29.A O no hydrogen 2.951 N/A ARG 67.A NH1 LYS 70.A O no hydrogen 2.990 N/A ARG 67.A NH2 ASN 29.A O no hydrogen 2.797 N/A ARG 67.A NH2 SER 48.A OG no hydrogen 2.879 N/A ASN 69.A ND2 GLU 72.A OE1 no hydrogen 2.767 N/A LYS 70.A NZ ASN 27.A OD1 no hydrogen 2.829 N/A ARG 71.A N ASN 69.A OD1 no hydrogen 2.734 N/A ARG 71.A NE ASP 25.A OD1.B no hydrogen 2.397 N/A ARG 71.A NH2 ASP 25.A OD2.B no hydrogen 3.125 N/A GLU 72.A N ASN 69.A OD1 no hydrogen 3.051 N/A PHE 73.A N CYS 22.A O no hydrogen 3.077 N/A SER 74.A N SER 66.A O no hydrogen 3.101 N/A LEU 75.A N LEU 20.A O no hydrogen 2.864 N/A ARG 76.A N ASN 64.A O no hydrogen 2.770 N/A ARG 76.A NH1 ASN 64.A OD1 no hydrogen 2.678 N/A ARG 76.A NH1 SER 66.A OG no hydrogen 2.953 N/A ARG 76.A NH2 SER 66.A OG no hydrogen 2.700 N/A LEU 77.A N MET 18.A O no hydrogen 2.747 N/A ALA 80.A N GLN 16.A O no hydrogen 2.952 N/A ALA 81.A N GLN 84.A OE1 no hydrogen 2.749 N/A GLN 84.A N ALA 81.A O no hydrogen 2.884 N/A GLN 84.A NE2 GLY 62.A O no hydrogen 3.149 N/A THR 85.A N PRO 82.A O no hydrogen 3.154 N/A THR 85.A OG1 PRO 82.A O no hydrogen 3.183 N/A THR 85.A OG1 VAL 113.A O no hydrogen 3.422 N/A SER 86.A N LEU 111.A O no hydrogen 3.144 N/A SER 86.A OG GLN 36.A O no hydrogen 3.001 N/A SER 86.A OG ASP 37.A OD1 no hydrogen 2.832 N/A SER 86.A OG VAL 87.A O no hydrogen 3.433 N/A VAL 87.A N GLN 36.A O no hydrogen 3.504 N/A TYR 88.A N SER 109.A O no hydrogen 2.787 N/A TYR 88.A OH TYR 63.A OH no hydrogen 2.776 N/A TYR 88.A OH GLN 84.A O no hydrogen 2.538 N/A PHE 89.A N TYR 34.A O no hydrogen 2.821 N/A CYS 90.A N GLN 5.A OE1 no hydrogen 3.037 N/A CYS 90.A SG.A TYR 32.A O no hydrogen 3.430 N/A CYS 90.A SG.A ALA 91.A O no hydrogen 3.926 N/A CYS 90.A SG.B GLN 5.A OE1 no hydrogen 3.491 N/A ALA 91.A N TYR 32.A O no hydrogen 2.966 N/A SER 92.A N PHE 104.A O no hydrogen 3.034 N/A SER 92.A OG HIS 28.A ND1 no hydrogen 3.014 N/A SER 93.A N SER 30.A O no hydrogen 2.988 N/A SER 93.A OG TYR 32.A OH no hydrogen 2.862 N/A THR 96.A OG1 TYR 32.A OH no hydrogen 3.181 N/A SER 100.A N GLU 98.A OE2.B no hydrogen 2.641 N/A SER 100.A OG GLU 98.A OE2.B no hydrogen 2.303 N/A GLU 102.A N GLU 102.A OE1 no hydrogen 2.742 N/A PHE 104.A N SER 92.A O no hydrogen 2.894 N/A GLY 106.A N CYS 90.A O no hydrogen 2.735 N/A SER 109.A N TYR 88.A O no hydrogen 2.716 N/A SER 109.A OG PRO 7.A O no hydrogen 2.603 N/A ARG 110.A N LYS 8.A O no hydrogen 2.938 N/A LEU 111.A N SER 86.A O no hydrogen 3.080 N/A THR 112.A N GLN 10.A O no hydrogen 3.129 N/A THR 112.A OG1 HIS 154.A NE2 no hydrogen 2.812 N/A VAL 113.A N THR 85.A OG1 no hydrogen 2.722 N/A LEU 114.A N LEU 12.A O no hydrogen 2.730 N/A ASN 119.A ND2 ASP 185.A O no hydrogen 2.827 N/A VAL 120.A N LEU 117.A O no hydrogen 3.379 N/A PHE 121.A N TYR 151.A O no hydrogen 2.880 N/A GLU 124.A N THR 148.A O no hydrogen 3.046 N/A ALA 126.A N LEU 146.A O no hydrogen 3.011 N/A PHE 128.A N VAL 144.A O no hydrogen 2.732 N/A ALA 133.A N SER 131.A OG no hydrogen 3.178 N/A ILE 135.A N SER 131.A O no hydrogen 3.266 N/A SER 136.A N GLU 132.A O no hydrogen 3.088 N/A SER 136.A OG GLU 132.A O no hydrogen 3.213 N/A HIS 137.A N ALA 133.A O no hydrogen 2.921 N/A THR 138.A N GLU 134.A O no hydrogen 2.972 N/A THR 138.A OG1 GLU 134.A O no hydrogen 2.773 N/A THR 138.A OG1 LYS 140.A O no hydrogen 3.557 N/A GLN 139.A N ILE 135.A O no hydrogen 3.055 N/A GLN 139.A NE2 SER 136.A O no hydrogen 3.530 N/A LYS 140.A N THR 138.A OG1 no hydrogen 3.324 N/A LYS 140.A NZ THR 138.A O no hydrogen 3.487 N/A ALA 141.A N VAL 196.A O no hydrogen 2.831 N/A THR 142.A N GLU 134.A OE1 no hydrogen 3.056 N/A THR 142.A OG1 GLU 134.A OE1 no hydrogen 3.410 N/A THR 142.A OG1 GLU 134.A OE2 no hydrogen 2.429 N/A LEU 143.A N LEU 194.A O no hydrogen 2.749 N/A VAL 144.A N PHE 128.A O no hydrogen 3.226 N/A CYS 145.A N SER 192.A O no hydrogen 2.934 N/A LEU 146.A N ALA 126.A O no hydrogen 2.959 N/A ALA 147.A N LEU 190.A O no hydrogen 2.831 N/A THR 148.A N GLU 124.A O no hydrogen 3.028 N/A THR 148.A OG1 GLU 124.A O no hydrogen 3.522 N/A GLY 149.A N GLU 179.A OE2 no hydrogen 3.026 N/A PHE 150.A N TYR 188.A O no hydrogen 3.313 N/A TYR 151.A N PHE 121.A O no hydrogen 2.934 N/A HIS 154.A N PRO 152.A O no hydrogen 2.917 N/A HIS 154.A NE2 THR 112.A OG1 no hydrogen 2.812 N/A GLU 156.A N GLN 213.A O no hydrogen 3.028 N/A SER 158.A N GLN 211.A O no hydrogen 2.880 N/A TRP 159.A NE1 SER 192.A OG no hydrogen 2.857 N/A TRP 160.A N ARG 209.A O no hydrogen 2.801 N/A TRP 160.A NE1 SER 158.A OG no hydrogen 2.863 N/A VAL 161.A N LYS 164.A O no hydrogen 2.692 N/A ASN 162.A N HIS 207.A O no hydrogen 2.757 N/A ASN 162.A ND2 ASN 206.A OD1 no hydrogen 3.016 N/A LYS 164.A N VAL 161.A O no hydrogen 3.032 N/A VAL 166.A N TRP 159.A O no hydrogen 3.110 N/A CYS 171.A N ARG 193.A O no hydrogen 3.082 N/A THR 172.A OG1 SER 192.A OG no hydrogen 2.630 N/A ASP 173.A N SER 191.A O no hydrogen 3.147 N/A LEU 177.A N ALA 189.A O no hydrogen 3.020 N/A GLU 179.A N ARG 187.A O no hydrogen 2.912 N/A GLN 180.A N SER 186.A OG no hydrogen 2.881 N/A LEU 183.A N GLN 180.A O no hydrogen 2.960 N/A SER 186.A OG GLN 180.A OE1.A no hydrogen 3.429 N/A SER 186.A OG ARG 187.A O no hydrogen 2.924 N/A ARG 187.A N GLN 180.A OE1.A no hydrogen 3.251 N/A ARG 187.A NE ASN 119.A OD1 no hydrogen 3.293 N/A ARG 187.A NH1 ASN 119.A OD1 no hydrogen 3.482 N/A TYR 188.A N PHE 150.A O no hydrogen 2.823 N/A ALA 189.A N LEU 177.A O no hydrogen 2.994 N/A LEU 190.A N ALA 147.A O no hydrogen 2.677 N/A SER 191.A N ASP 173.A OD2 no hydrogen 3.058 N/A SER 191.A OG ASP 173.A OD1 no hydrogen 3.136 N/A SER 191.A OG ASP 173.A OD2 no hydrogen 2.303 N/A SER 192.A N CYS 145.A O no hydrogen 3.086 N/A SER 192.A OG CYS 171.A O no hydrogen 3.415 N/A SER 192.A OG THR 172.A OG1 no hydrogen 2.630 N/A ARG 193.A N CYS 171.A O no hydrogen 3.004 N/A ARG 193.A NH2 ASP 173.A OD1 no hydrogen 2.489 N/A LEU 194.A N LEU 143.A O no hydrogen 2.827 N/A ARG 195.A N GLY 169.A O no hydrogen 2.824 N/A VAL 196.A N ALA 141.A O no hydrogen 2.731 N/A ALA 198.A N GLN 139.A O no hydrogen 3.024 N/A PHE 200.A N SER 197.A OG no hydrogen 3.235 N/A TRP 201.A N SER 197.A O no hydrogen 3.067 N/A GLN 202.A N ALA 198.A O no hydrogen 2.944 N/A ARG 205.A N ASN 203.A OD1 no hydrogen 3.123 N/A ASN 206.A N ASN 203.A O no hydrogen 3.379 N/A ASN 206.A ND2 PHE 200.A O no hydrogen 2.777 N/A HIS 207.A N ASN 162.A OD1 no hydrogen 2.748 N/A HIS 207.A NE2 GLU 238.A OE1 no hydrogen 2.539 N/A PHE 208.A N ALA 239.A O no hydrogen 3.021 N/A ARG 209.A N TRP 160.A O no hydrogen 2.782 N/A ARG 209.A NH2 GLN 211.A OE1 no hydrogen 2.506 N/A CYS 210.A N ALA 237.A O no hydrogen 2.838 N/A GLN 211.A N SER 158.A O no hydrogen 2.847 N/A VAL 212.A N VAL 235.A O no hydrogen 3.010 N/A GLN 213.A N GLU 156.A O no hydrogen 2.986 N/A GLN 213.A NE2 PHE 214.A O no hydrogen 3.345 N/A PHE 214.A N GLN 233.A O no hydrogen 2.831 N/A TYR 215.A N HIS 154.A O no hydrogen 2.926 N/A TYR 215.A OH GLU 156.A OE2 no hydrogen 2.758 N/A GLY 216.A N THR 232.A OG1 no hydrogen 3.080 N/A LEU 217.A N PRO 230.A O no hydrogen 3.068 N/A SER 218.A N ASP 221.A OD2 no hydrogen 2.697 N/A SER 218.A OG ASN 220.A OD1 no hydrogen 2.670 N/A SER 218.A OG ASP 221.A OD2 no hydrogen 3.231 N/A ASP 221.A N SER 218.A O no hydrogen 3.461 N/A TRP 223.A NE1 ARG 227.A O no hydrogen 2.934 N/A THR 224.A OG1 GLN 225.A OE1 no hydrogen 3.317 N/A ARG 227.A NH1 VAL 120.A O no hydrogen 3.046 N/A ARG 227.A NH2 LYS 118.A O no hydrogen 2.534 N/A ARG 227.A NH2 VAL 120.A O no hydrogen 3.130 N/A LYS 229.A NZ SER 218.A O no hydrogen 2.957 N/A LYS 229.A NZ ASP 221.A O no hydrogen 2.629 N/A VAL 231.A N LYS 229.A O no hydrogen 2.776 N/A THR 232.A N LEU 217.A O no hydrogen 3.084 N/A GLN 233.A N PHE 214.A O no hydrogen 3.075 N/A GLN 233.A NE2 VAL 231.A O no hydrogen 3.094 N/A VAL 235.A N VAL 212.A O no hydrogen 3.071 N/A ALA 237.A N CYS 210.A O no hydrogen 3.103 N/A ALA 239.A N PHE 208.A O no hydrogen 2.901 N/A