Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 2wqe_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ALA 3.A N ASP 6.A OD2 no hydrogen 2.809 N/A ASP 6.A N ALA 3.A O no hydrogen 2.845 N/A PHE 7.A N LEU 4.A O no hydrogen 2.900 N/A GLU 8.A N ARG 25.A O no hydrogen 2.902 N/A GLY 10.A N LEU 23.A O no hydrogen 2.653 N/A ARG 11.A NH1 PRO 12.A O no hydrogen 3.200 N/A LEU 13.A N VAL 21.A O no hydrogen 2.650 N/A GLY 14.A N VAL 21.A O no hydrogen 3.476 N/A GLY 16.A N GLY 19.A O no hydrogen 2.662 N/A VAL 21.A N GLY 14.A O no hydrogen 2.815 N/A TYR 22.A N LEU 35.A O no hydrogen 2.896 N/A LEU 23.A N ARG 11.A O no hydrogen 2.976 N/A ALA 24.A N LEU 33.A O no hydrogen 2.946 N/A ARG 25.A N GLU 8.A O no hydrogen 3.031 N/A GLU 26.A N PHE 31.A O no hydrogen 2.822 N/A LYS 27.A N ASP 6.A O no hydrogen 3.227 N/A LYS 27.A NZ GLU 5.A O no hydrogen 2.962 N/A LEU 33.A N ALA 24.A O no hydrogen 2.880 N/A ALA 34.A N LEU 84.A O no hydrogen 2.930 N/A LEU 35.A N TYR 22.A O no hydrogen 2.685 N/A LYS 36.A N LEU 82.A O no hydrogen 2.895 N/A VAL 37.A N ASN 20.A O no hydrogen 2.825 N/A LEU 38.A N VAL 80.A O no hydrogen 2.798 N/A PHE 39.A N PHE 18.A O no hydrogen 2.835 N/A LYS 40.A N THR 78.A O no hydrogen 3.047 N/A LYS 40.A NZ ASP 76.A O no hydrogen 2.707 N/A LEU 43.A N PHE 39.A O no hydrogen 2.972 N/A GLU 44.A N LYS 40.A O no hydrogen 2.766 N/A LYS 45.A N ALA 41.A O no hydrogen 2.967 N/A ALA 46.A N GLN 42.A O no hydrogen 3.213 N/A GLY 47.A N GLU 44.A O no hydrogen 3.022 N/A VAL 48.A N LEU 43.A O no hydrogen 2.809 N/A LEU 52.A N VAL 48.A O no hydrogen 3.027 N/A ARG 53.A N HIS 50.A O no hydrogen 3.055 N/A GLU 55.A N GLN 51.A O no hydrogen 2.874 N/A VAL 56.A N LEU 52.A O no hydrogen 2.861 N/A GLU 57.A N ARG 53.A O no hydrogen 2.993 N/A ILE 58.A N ARG 54.A O no hydrogen 3.103 N/A GLN 59.A N GLU 55.A O no hydrogen 3.085 N/A GLN 59.A NE2 LEU 68.A O no hydrogen 3.338 N/A SER 60.A N VAL 56.A O no hydrogen 3.084 N/A SER 60.A N GLU 57.A O no hydrogen 3.275 N/A SER 60.A OG VAL 56.A O no hydrogen 2.564 N/A SER 60.A OG GLU 57.A O no hydrogen 3.549 N/A HIS 61.A N ILE 58.A O no hydrogen 2.973 N/A ARG 63.A N TYR 120.A OH no hydrogen 2.808 N/A ARG 63.A NH1 SER 60.A O no hydrogen 3.150 N/A ASN 66.A N HIS 64.A ND1 no hydrogen 2.948 N/A ASN 66.A ND2 LEU 144.A O no hydrogen 2.860 N/A ILE 67.A N HIS 64.A O no hydrogen 2.986 N/A LEU 68.A N ILE 146.A O no hydrogen 2.879 N/A ARG 69.A N GLU 85.A OE2 no hydrogen 2.812 N/A TYR 71.A N ILE 83.A O no hydrogen 2.868 N/A PHE 74.A N TYR 81.A O no hydrogen 2.986 N/A ASP 76.A N ARG 79.A O no hydrogen 2.943 N/A THR 78.A N ASP 76.A OD1 no hydrogen 3.062 N/A THR 78.A OG1 ASP 76.A OD1 no hydrogen 3.237 N/A ARG 79.A N ASP 76.A OD1 no hydrogen 2.748 N/A VAL 80.A N LEU 38.A O no hydrogen 2.820 N/A TYR 81.A N PHE 74.A O no hydrogen 2.685 N/A TYR 81.A OH ASP 76.A OD2 no hydrogen 3.063 N/A LEU 82.A N LYS 36.A O no hydrogen 2.783 N/A ILE 83.A N GLY 72.A O no hydrogen 2.981 N/A LEU 84.A N ALA 34.A O no hydrogen 3.033 N/A GLU 85.A N ARG 69.A O no hydrogen 2.709 N/A LEU 89.A N LEU 138.A O no hydrogen 2.995 N/A VAL 92.A N LEU 136.A O no hydrogen 2.804 N/A TYR 93.A N PRO 133.A O no hydrogen 3.327 N/A ARG 94.A N THR 91.A OG1 no hydrogen 2.889 N/A ARG 94.A NH1 GLN 97.A OE1 no hydrogen 2.884 N/A GLU 95.A N THR 91.A O no hydrogen 3.219 N/A LEU 96.A N VAL 92.A O no hydrogen 2.822 N/A LEU 96.A N TYR 93.A O no hydrogen 3.042 N/A GLN 97.A N TYR 93.A O no hydrogen 3.154 N/A LYS 98.A N ARG 94.A O no hydrogen 2.900 N/A LEU 99.A N GLU 95.A O no hydrogen 3.170 N/A PHE 102.A N PHE 175.A O no hydrogen 2.651 N/A ARG 106.A N ASP 103.A OD1 no hydrogen 2.797 N/A ARG 106.A NE GLU 95.A OE1 no hydrogen 2.878 N/A ARG 106.A NE TYR 110.A OH no hydrogen 3.384 N/A ARG 106.A NH2 GLU 95.A OE1 no hydrogen 2.689 N/A THR 107.A N ASP 103.A O no hydrogen 2.909 N/A THR 107.A OG1 ASP 103.A O no hydrogen 2.915 N/A ALA 108.A N GLU 104.A O no hydrogen 2.723 N/A THR 109.A N GLN 105.A O no hydrogen 2.997 N/A THR 109.A OG1 GLN 105.A O no hydrogen 2.910 N/A THR 109.A OG1 SER 241.A OG no hydrogen 3.193 N/A TYR 110.A N ARG 106.A O no hydrogen 3.007 N/A TYR 110.A OH GLU 95.A OE1 no hydrogen 3.080 N/A TYR 110.A OH GLU 95.A OE2 no hydrogen 2.849 N/A ILE 111.A N THR 107.A O no hydrogen 3.104 N/A THR 112.A N ALA 108.A O no hydrogen 2.930 N/A THR 112.A OG1 ALA 108.A O no hydrogen 3.057 N/A THR 112.A OG1 SER 240.A OG no hydrogen 3.081 N/A GLU 113.A N THR 109.A O no hydrogen 2.959 N/A LEU 114.A N TYR 110.A O no hydrogen 2.707 N/A ALA 115.A N ILE 111.A O no hydrogen 2.690 N/A ASN 116.A N THR 112.A O no hydrogen 3.052 N/A ALA 117.A N GLU 113.A O no hydrogen 3.127 N/A LEU 118.A N LEU 114.A O no hydrogen 3.033 N/A SER 119.A N ALA 115.A O no hydrogen 2.814 N/A TYR 120.A N ASN 116.A O no hydrogen 2.862 N/A CYS 121.A N ALA 117.A O no hydrogen 2.856 N/A CYS 121.A SG ALA 117.A O no hydrogen 3.419 N/A HIS 122.A N LEU 118.A O no hydrogen 2.823 N/A HIS 122.A NE2 ASP 164.A OD2 no hydrogen 2.912 N/A SER 123.A N SER 119.A O no hydrogen 3.015 N/A SER 123.A OG TYR 120.A O no hydrogen 2.506 N/A LYS 124.A N CYS 121.A O no hydrogen 2.714 N/A ARG 125.A N HIS 122.A O no hydrogen 3.151 N/A VAL 126.A N CYS 121.A O no hydrogen 3.071 N/A LYS 132.A NZ THR 150.A OG1 no hydrogen 3.061 N/A ASN 135.A N LYS 132.A O no hydrogen 2.757 N/A LEU 136.A N PRO 133.A O no hydrogen 2.983 N/A LEU 137.A N LYS 145.A O no hydrogen 2.827 N/A LEU 138.A N GLY 90.A O no hydrogen 2.708 N/A GLY 139.A N GLU 143.A O no hydrogen 2.676 N/A ALA 141.A N GLU 143.A OE1 no hydrogen 2.640 N/A GLY 142.A N GLY 139.A O no hydrogen 2.879 N/A GLU 143.A N GLU 143.A OE1 no hydrogen 2.572 N/A LEU 144.A N GLU 113.A OE1 no hydrogen 2.549 N/A LYS 145.A N LEU 137.A O no hydrogen 2.795 N/A LYS 145.A NZ PRO 65.A O no hydrogen 2.686 N/A LYS 145.A NZ GLU 85.A OE1 no hydrogen 2.886 N/A ILE 146.A N ASN 66.A O no hydrogen 3.023 N/A ALA 147.A N ASN 135.A O no hydrogen 2.778 N/A TYR 153.A N THR 150.A O no hydrogen 3.075 N/A TYR 153.A OH GLU 174.A OE1 no hydrogen 2.540 N/A TYR 153.A OH GLU 174.A OE2 no hydrogen 3.158 N/A LEU 154.A N LEU 151.A O no hydrogen 2.835 N/A GLU 157.A N GLU 157.A OE1 no hydrogen 3.104 N/A MET 158.A N PRO 155.A O no hydrogen 2.976 N/A LYS 162.A NZ ARG 224.A O no hydrogen 2.966 N/A LYS 162.A NZ PRO 225.A O no hydrogen 2.953 N/A ASP 164.A N GLU 161.A O no hydrogen 3.251 N/A LEU 165.A N LYS 162.A O no hydrogen 3.335 N/A SER 167.A N VAL 163.A O no hydrogen 3.089 N/A SER 167.A OG VAL 163.A O no hydrogen 3.456 N/A LEU 168.A N ASP 164.A O no hydrogen 3.251 N/A GLY 169.A N LEU 165.A O no hydrogen 3.197 N/A VAL 170.A N TRP 166.A O no hydrogen 2.893 N/A LEU 171.A N SER 167.A O no hydrogen 2.934 N/A CYS 172.A N LEU 168.A O no hydrogen 2.779 N/A TYR 173.A N GLY 169.A O no hydrogen 3.207 N/A TYR 173.A OH THR 200.A O no hydrogen 2.691 N/A GLU 174.A N VAL 170.A O no hydrogen 2.954 N/A PHE 175.A N LEU 171.A O no hydrogen 2.731 N/A LEU 176.A N CYS 172.A O no hydrogen 3.371 N/A LEU 176.A N TYR 173.A O no hydrogen 3.155 N/A VAL 177.A N TYR 173.A O no hydrogen 2.866 N/A GLY 178.A N GLU 174.A O no hydrogen 2.700 N/A GLU 183.A N PRO 180.A O no hydrogen 3.479 N/A THR 186.A OG1 GLU 189.A OE1 no hydrogen 2.905 N/A GLU 189.A N THR 186.A OG1 no hydrogen 3.263 N/A THR 190.A N THR 186.A O no hydrogen 3.090 N/A THR 190.A OG1 THR 186.A O no hydrogen 2.945 N/A TYR 191.A N TYR 187.A O no hydrogen 2.764 N/A LYS 192.A N GLN 188.A O no hydrogen 3.086 N/A ARG 193.A N GLU 189.A O no hydrogen 3.063 N/A ARG 193.A NE GLU 198.A O no hydrogen 2.839 N/A ARG 193.A NH1 GLU 183.A O no hydrogen 3.248 N/A ARG 193.A NH2 GLU 198.A O no hydrogen 3.005 N/A ILE 194.A N THR 190.A O no hydrogen 3.054 N/A SER 195.A N TYR 191.A O no hydrogen 2.901 N/A ARG 196.A N LYS 192.A O no hydrogen 2.864 N/A VAL 197.A N ILE 194.A O no hydrogen 3.168 N/A GLU 198.A N ARG 193.A O no hydrogen 2.779 N/A VAL 205.A N PRO 202.A O no hydrogen 3.090 N/A THR 206.A OG1 GLU 104.A OE2 no hydrogen 2.573 N/A ARG 210.A N THR 206.A O no hydrogen 3.099 N/A ARG 210.A NE VAL 205.A O no hydrogen 2.797 N/A ARG 210.A NH2 PRO 202.A O no hydrogen 3.049 N/A ARG 210.A NH2 VAL 205.A O no hydrogen 3.369 N/A ASP 211.A N GLU 207.A O no hydrogen 3.099 N/A LEU 212.A N GLY 208.A O no hydrogen 3.194 N/A ILE 213.A N ALA 209.A O no hydrogen 3.017 N/A SER 214.A N ARG 210.A O no hydrogen 2.975 N/A SER 214.A OG ARG 210.A O no hydrogen 2.867 N/A ARG 215.A N ASP 211.A O no hydrogen 3.129 N/A ARG 215.A NE ASP 211.A OD2 no hydrogen 3.070 N/A LEU 216.A N LEU 212.A O no hydrogen 3.051 N/A LEU 216.A N ILE 213.A O no hydrogen 2.927 N/A LEU 217.A N ILE 213.A O no hydrogen 2.774 N/A GLN 223.A N ASN 220.A O no hydrogen 3.078 N/A ARG 224.A N PRO 221.A O no hydrogen 3.056 N/A ARG 224.A NE LYS 218.A O no hydrogen 2.762 N/A ARG 224.A NH1 GLU 157.A OE1 no hydrogen 3.444 N/A ARG 224.A NH1 GLU 157.A OE2 no hydrogen 2.762 N/A ARG 224.A NH1 LYS 162.A O no hydrogen 2.972 N/A ARG 224.A NH2 GLU 157.A OE1 no hydrogen 2.707 N/A ARG 224.A NH2 LYS 218.A O no hydrogen 2.985 N/A ARG 224.A NH2 HIS 219.A O no hydrogen 3.239 N/A MET 226.A N GLU 229.A OE1 no hydrogen 2.593 N/A GLU 229.A N MET 226.A O no hydrogen 2.874 N/A VAL 230.A N MET 226.A O no hydrogen 3.238 N/A LEU 231.A N LEU 227.A O no hydrogen 3.133 N/A GLU 232.A N ARG 228.A O no hydrogen 3.186 N/A HIS 233.A N VAL 230.A O no hydrogen 3.098 N/A HIS 233.A NE2 ASP 211.A OD2 no hydrogen 2.821 N/A TRP 235.A N HIS 233.A ND1 no hydrogen 3.050 N/A TRP 235.A NE1 GLU 104.A OE2 no hydrogen 3.178 N/A THR 237.A N HIS 233.A O no hydrogen 2.849 N/A THR 237.A OG1 HIS 233.A O no hydrogen 3.290 N/A THR 237.A OG1 PRO 234.A O no hydrogen 3.213 N/A ALA 238.A N PRO 234.A O no hydrogen 2.893 N/A ASN 239.A N TRP 235.A O no hydrogen 3.096 N/A ASN 239.A N ILE 236.A O no hydrogen 2.878 N/A ASN 239.A ND2 TRP 235.A O no hydrogen 2.959 N/A SER 240.A N ILE 236.A O no hydrogen 2.807 N/A SER 240.A OG THR 112.A OG1 no hydrogen 3.081 N/A SER 240.A OG SER 241.A O no hydrogen 3.282 N/A SER 241.A N THR 109.A OG1 no hydrogen 3.095 N/A SER 241.A OG THR 109.A OG1 no hydrogen 3.193 N/A