Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3pjt_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ARG 7.A NH1 HIS 3.A O no hydrogen 2.523 N/A LEU 8.A N ALA 4.A O no hydrogen 3.183 N/A LEU 9.A N TRP 5.A O no hydrogen 3.020 N/A ASP 10.A N HIS 6.A O no hydrogen 3.322 N/A GLN 11.A N ARG 7.A O no hydrogen 2.838 N/A ALA 12.A N LEU 8.A O no hydrogen 2.694 N/A LEU 13.A N LEU 9.A O no hydrogen 2.599 N/A ASN 14.A N ASP 10.A O no hydrogen 2.889 N/A GLN 15.A N GLN 11.A O no hydrogen 2.827 N/A ARG 16.A N LEU 13.A O no hydrogen 3.267 N/A ARG 17.A N ALA 12.A O no hydrogen 2.670 N/A ARG 17.A NE GLN 15.A OE1 no hydrogen 3.422 N/A ARG 17.A NH1 LEU 44.A O no hydrogen 2.471 N/A ARG 17.A NH2 GLU 46.A OE1 no hydrogen 3.442 N/A PHE 18.A N ARG 16.A O no hydrogen 2.897 N/A GLU 19.A N ARG 42.A O no hydrogen 2.838 N/A PHE 21.A N LEU 40.A O no hydrogen 2.828 N/A PHE 22.A N LYS 237.A O no hydrogen 2.797 N/A GLN 23.A N LYS 38.A O no hydrogen 3.135 N/A GLN 23.A NE2 GLY 234.A O no hydrogen 3.205 N/A VAL 25.A N HIS 36.A O no hydrogen 2.684 N/A VAL 26.A N VAL 228.A O no hydrogen 2.856 N/A ALA 27.A N LEU 33.A O no hydrogen 2.966 N/A ALA 28.A N TYR 226.A O no hydrogen 2.868 N/A ASP 30.A N ALA 27.A O no hydrogen 3.188 N/A GLN 32.A N ASP 30.A OD1 no hydrogen 2.865 N/A LEU 33.A N ASP 30.A O no hydrogen 3.027 N/A LEU 35.A N VAL 25.A O no hydrogen 2.707 N/A HIS 36.A N VAL 25.A O no hydrogen 3.227 N/A TYR 37.A N SER 87.A O no hydrogen 2.861 N/A LYS 38.A N GLN 23.A O no hydrogen 2.919 N/A LYS 38.A NZ ASN 91.A OD1 no hydrogen 3.073 N/A LYS 38.A NZ GLU 123.A OE1 no hydrogen 2.658 N/A LYS 38.A NZ GLN 152.A OE1 no hydrogen 3.006 N/A VAL 39.A N ALA 89.A O no hydrogen 2.902 N/A LEU 40.A N PHE 21.A O no hydrogen 2.833 N/A ARG 42.A N GLU 19.A O no hydrogen 2.945 N/A ARG 42.A NE SER 41.A O no hydrogen 3.384 N/A LEU 43.A N ILE 51.A O no hydrogen 2.905 N/A LEU 44.A N ARG 17.A O no hydrogen 3.387 N/A ASP 45.A N GLN 49.A O no hydrogen 2.862 N/A GLN 47.A N ASP 45.A OD1 no hydrogen 2.797 N/A GLY 48.A N ASP 45.A O no hydrogen 3.120 N/A GLN 49.A N ASP 45.A OD1 no hydrogen 3.080 N/A ILE 51.A N LEU 43.A O no hydrogen 2.752 N/A ARG 55.A N PRO 52.A O no hydrogen 2.994 N/A PHE 56.A N PRO 52.A O no hydrogen 3.428 N/A PHE 56.A N ALA 53.A O no hydrogen 3.129 N/A LEU 57.A N ALA 53.A O no hydrogen 2.835 N/A TRP 59.A N PHE 56.A O no hydrogen 3.195 N/A LEU 60.A N PHE 56.A O no hydrogen 3.319 N/A GLU 61.A N LEU 57.A O no hydrogen 3.197 N/A ARG 62.A N PRO 58.A O no hydrogen 3.188 N/A PHE 63.A N TRP 59.A O no hydrogen 2.805 N/A GLY 64.A N GLU 61.A O no hydrogen 2.713 N/A TRP 65.A N LEU 60.A O no hydrogen 2.530 N/A ARG 68.A N TRP 65.A O no hydrogen 2.941 N/A ARG 68.A NH1 ASP 10.A OD2 no hydrogen 3.099 N/A ARG 68.A NH2 ASP 10.A OD2 no hydrogen 3.004 N/A LEU 69.A N TRP 65.A O no hydrogen 3.360 N/A ASP 70.A N THR 66.A O no hydrogen 2.930 N/A ARG 71.A N ALA 67.A O no hydrogen 3.084 N/A ARG 71.A NH1 GLU 75.A OE2 no hydrogen 3.235 N/A LEU 72.A N ARG 68.A O no hydrogen 3.192 N/A MET 73.A N LEU 69.A O no hydrogen 2.764 N/A LEU 74.A N ASP 70.A O no hydrogen 2.904 N/A GLU 75.A N ARG 71.A O no hydrogen 3.037 N/A ARG 76.A N LEU 72.A O no hydrogen 3.018 N/A ARG 76.A NH2 PHE 18.A O no hydrogen 3.397 N/A VAL 77.A N MET 73.A O no hydrogen 2.817 N/A LEU 78.A N LEU 74.A O no hydrogen 2.907 N/A GLU 79.A N GLU 75.A O no hydrogen 2.900 N/A GLN 80.A N ARG 76.A O no hydrogen 2.892 N/A MET 81.A N VAL 77.A O no hydrogen 3.165 N/A ALA 82.A N GLU 79.A O no hydrogen 3.286 N/A GLY 83.A N GLN 80.A O no hydrogen 3.136 N/A HIS 84.A N MET 81.A O no hydrogen 3.416 N/A HIS 84.A NE2 GLN 80.A OE1 no hydrogen 2.545 N/A GLU 86.A N HIS 84.A ND1 no hydrogen 2.842 N/A LEU 88.A N ARG 119.A O no hydrogen 2.827 N/A ALA 89.A N TYR 37.A O no hydrogen 2.934 N/A LEU 90.A N THR 121.A O no hydrogen 2.835 N/A ASN 91.A ND2 GLU 123.A O no hydrogen 3.403 N/A ASN 91.A ND2 GLN 152.A OE1 no hydrogen 2.904 N/A LEU 92.A N GLU 123.A O no hydrogen 2.919 N/A SER 93.A N ASP 70.A OD2 no hydrogen 2.741 N/A SER 93.A OG ASP 70.A OD2 no hydrogen 2.433 N/A SER 94.A N GLN 128.A OE1 no hydrogen 3.069 N/A SER 94.A OG GLN 128.A OE1 no hydrogen 3.520 N/A THR 96.A N SER 93.A O no hydrogen 3.074 N/A THR 96.A OG1 ASP 70.A OD2 no hydrogen 2.623 N/A LEU 97.A N SER 93.A O no hydrogen 3.456 N/A ALA 98.A N SER 94.A O no hydrogen 2.952 N/A ASP 99.A N THR 96.A O no hydrogen 3.062 N/A ALA 102.A N ASP 99.A OD1 no hydrogen 3.189 N/A LEU 103.A N ASP 99.A O no hydrogen 2.681 N/A ASN 104.A N PRO 100.A O no hydrogen 2.884 N/A LYS 105.A N GLN 101.A O no hydrogen 2.936 N/A VAL 106.A N ALA 102.A O no hydrogen 3.008 N/A PHE 107.A N LEU 103.A O no hydrogen 3.027 N/A GLU 108.A N ASN 104.A O no hydrogen 2.684 N/A ILE 109.A N LYS 105.A O no hydrogen 2.808 N/A LEU 110.A N VAL 106.A O no hydrogen 2.972 N/A ARG 111.A N PHE 107.A O no hydrogen 2.807 N/A ALA 112.A N GLU 108.A O no hydrogen 3.084 N/A HIS 113.A N LEU 110.A O no hydrogen 2.792 N/A HIS 113.A ND1 ILE 109.A O no hydrogen 2.990 N/A SER 114.A OG ARG 111.A O no hydrogen 3.280 N/A LEU 116.A N HIS 113.A O no hydrogen 2.928 N/A GLY 117.A N SER 114.A O no hydrogen 2.843 N/A ARG 119.A N LEU 116.A O no hydrogen 2.787 N/A ARG 119.A NE GLU 86.A O no hydrogen 3.110 N/A ARG 119.A NH1 MET 81.A O no hydrogen 3.287 N/A ARG 119.A NH2 MET 81.A O no hydrogen 3.111 N/A ARG 119.A NH2 GLU 86.A O no hydrogen 3.017 N/A THR 121.A N LEU 88.A O no hydrogen 3.015 N/A LEU 122.A N SER 148.A O no hydrogen 3.021 N/A GLU 123.A N LEU 90.A O no hydrogen 2.748 N/A ILE 124.A N SER 150.A O no hydrogen 2.984 N/A GLU 126.A N GLN 152.A O no hydrogen 2.813 N/A GLN 128.A N GLY 125.A O no hydrogen 2.893 N/A GLN 128.A NE2 GLU 127.A OE1 no hydrogen 2.742 N/A LEU 129.A N GLU 126.A O no hydrogen 3.178 N/A GLN 132.A N GLU 131.A OE2 no hydrogen 3.092 N/A GLN 132.A NE2 GLU 136.A OE1 no hydrogen 3.178 N/A GLN 132.A NE2 ASN 163.A O no hydrogen 3.178 N/A LEU 135.A N GLU 131.A O no hydrogen 3.100 N/A GLU 136.A N GLN 132.A O no hydrogen 2.972 N/A GLN 137.A N ALA 133.A O no hydrogen 2.868 N/A LEU 138.A N VAL 134.A O no hydrogen 2.823 N/A THR 139.A N LEU 135.A O no hydrogen 2.850 N/A THR 139.A OG1 LEU 135.A O no hydrogen 2.771 N/A ARG 140.A N GLU 136.A O no hydrogen 3.062 N/A ARG 141.A N GLN 137.A O no hydrogen 3.151 N/A LEU 142.A N LEU 138.A O no hydrogen 3.034 N/A ARG 143.A N THR 139.A O no hydrogen 3.199 N/A ARG 143.A NH1 LEU 167.A O no hydrogen 2.788 N/A GLU 144.A N ARG 140.A O no hydrogen 3.112 N/A LEU 145.A N ARG 141.A O no hydrogen 3.343 N/A GLY 146.A N ARG 143.A O no hydrogen 2.899 N/A PHE 147.A N LEU 142.A O no hydrogen 3.054 N/A SER 150.A N LEU 122.A O no hydrogen 2.749 N/A SER 150.A OG TYR 171.A O no hydrogen 3.162 N/A GLN 152.A N ILE 124.A O no hydrogen 2.893 N/A GLN 152.A NE2 GLU 209.A OE2 no hydrogen 2.960 N/A ARG 153.A N GLU 209.A OE2 no hydrogen 2.805 N/A ARG 153.A NE GLU 127.A OE2 no hydrogen 2.743 N/A ARG 153.A NH2 GLU 127.A OE1 no hydrogen 3.322 N/A ARG 153.A NH2 GLU 127.A OE2 no hydrogen 3.336 N/A PHE 154.A N LYS 173.A O no hydrogen 2.948 N/A GLY 155.A N GLU 126.A OE1 no hydrogen 3.078 N/A ARG 157.A N GLU 126.A OE1 no hydrogen 2.864 N/A MET 160.A N ARG 157.A O no hydrogen 3.000 N/A ILE 161.A N PHE 158.A O no hydrogen 2.804 N/A ASN 163.A N MET 160.A O no hydrogen 2.951 N/A LEU 167.A N LEU 164.A O no hydrogen 2.998 N/A GLY 168.A N ALA 165.A O no hydrogen 3.219 N/A ALA 170.A N LEU 149.A O no hydrogen 2.816 N/A TYR 171.A N SER 150.A OG no hydrogen 3.055 N/A TYR 171.A OH GLU 123.A OE2 no hydrogen 2.436 N/A LEU 172.A N PRO 205.A O no hydrogen 3.059 N/A LYS 173.A N LEU 151.A O no hydrogen 2.850 N/A LYS 173.A NZ HIS 36.A NE2 no hydrogen 3.288 N/A LYS 173.A NZ GLU 123.A OE2 no hydrogen 2.928 N/A ILE 174.A N ILE 207.A O no hydrogen 2.728 N/A ASP 175.A N PHE 154.A O no hydrogen 2.815 N/A SER 177.A N ASP 175.A OD1 no hydrogen 3.175 N/A SER 177.A OG ASP 175.A OD1 no hydrogen 2.723 N/A TYR 178.A N ASP 175.A O no hydrogen 3.155 N/A ILE 179.A N GLY 176.A O no hydrogen 2.830 N/A ARG 180.A NH1 ARG 210.A O no hydrogen 3.000 N/A ARG 180.A NH1 GLU 216.A OE2 no hydrogen 3.085 N/A ARG 180.A NH2 ARG 210.A O no hydrogen 3.066 N/A ALA 181.A N GLU 216.A OE2 no hydrogen 2.667 N/A ILE 182.A N ILE 179.A O no hydrogen 2.952 N/A GLN 184.A N ALA 181.A O no hydrogen 2.919 N/A GLU 185.A N ALA 181.A O no hydrogen 2.825 N/A LYS 188.A N GLU 185.A O no hydrogen 2.981 N/A LYS 188.A NZ SER 177.A O no hydrogen 2.824 N/A LYS 188.A NZ ARG 180.A O no hydrogen 2.817 N/A ARG 189.A N SER 186.A O no hydrogen 3.317 N/A ILE 192.A N LYS 188.A O no hydrogen 3.486 N/A GLU 193.A N ARG 189.A O no hydrogen 2.729 N/A ALA 194.A N LEU 190.A O no hydrogen 2.995 N/A ILE 195.A N PHE 191.A O no hydrogen 2.884 N/A GLN 196.A N ILE 192.A O no hydrogen 2.862 N/A GLN 196.A NE2 GLN 196.A O no hydrogen 3.004 N/A ARG 197.A N GLU 193.A O no hydrogen 2.865 N/A ALA 198.A N ALA 194.A O no hydrogen 3.143 N/A ALA 199.A N ILE 195.A O no hydrogen 2.841 N/A HIS 200.A N GLN 196.A O no hydrogen 2.954 N/A SER 201.A N ARG 197.A O no hydrogen 3.298 N/A SER 201.A OG ALA 198.A O no hydrogen 2.816 N/A ILE 202.A N ALA 198.A O no hydrogen 3.195 N/A ASP 203.A N HIS 200.A O no hydrogen 3.117 N/A LEU 204.A N ALA 199.A O no hydrogen 2.964 N/A ILE 207.A N LEU 172.A O no hydrogen 2.945 N/A ALA 208.A N GLY 227.A O no hydrogen 2.930 N/A GLU 209.A N ILE 174.A O no hydrogen 3.081 N/A VAL 211.A N GLN 229.A O no hydrogen 2.757 N/A GLU 212.A N GLU 216.A OE1 no hydrogen 2.842 N/A LEU 217.A N THR 213.A O no hydrogen 2.903 N/A SER 218.A N GLU 214.A O no hydrogen 2.825 N/A VAL 219.A N GLY 215.A O no hydrogen 3.191 N/A ILE 220.A N GLU 216.A O no hydrogen 2.900 N/A ARG 221.A N LEU 217.A O no hydrogen 2.825 N/A GLU 222.A N SER 218.A O no hydrogen 2.942 N/A MET 223.A N VAL 219.A O no hydrogen 3.061 N/A MET 223.A N ILE 220.A O no hydrogen 3.163 N/A GLY 224.A N ARG 221.A O no hydrogen 3.129 N/A LEU 225.A N ILE 220.A O no hydrogen 3.415 N/A TYR 226.A N LEU 206.A O no hydrogen 3.061 N/A GLY 227.A N LEU 206.A O no hydrogen 3.115 N/A VAL 228.A N VAL 26.A O no hydrogen 2.729 N/A GLN 229.A N ALA 208.A O no hydrogen 3.047 N/A LEU 232.A N VAL 211.A O no hydrogen 3.140 N/A PHE 233.A N GLY 230.A O no hydrogen 2.910 N/A GLY 234.A N GLN 231.A O no hydrogen 2.939 N/A LYS 237.A N PHE 22.A O no hydrogen 2.865 N/A LYS 237.A NZ TRP 239.A O no hydrogen 3.526 N/A