Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 6xpn_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): LEU 2.A N ARG 22.A O no hydrogen 3.080 N/A ASP 3.A N ASP 52.A OD2 no hydrogen 2.933 N/A VAL 4.A N ARG 24.A O no hydrogen 2.815 N/A VAL 5.A N VAL 53.A O no hydrogen 2.975 N/A ALA 6.A N ASN 26.A O no hydrogen 2.779 N/A THR 7.A N LEU 55.A O no hydrogen 3.071 N/A THR 7.A OG1 LEU 55.A O no hydrogen 3.564 N/A THR 7.A OG1 GLU 62.A OE2 no hydrogen 2.489 N/A GLY 12.A N PHE 8.A O no hydrogen 2.975 N/A ASP 13.A N SER 9.A O no hydrogen 2.988 N/A ASP 13.A N ILE 10.A O no hydrogen 3.057 N/A PHE 14.A N ILE 10.A O no hydrogen 3.292 N/A ALA 15.A N ILE 11.A O.A no hydrogen 2.840 N/A ALA 15.A N ILE 11.A O.B no hydrogen 2.835 N/A ALA 16.A N GLY 12.A O no hydrogen 3.091 N/A LYS 17.A N ASP 13.A O no hydrogen 3.165 N/A LYS 17.A NZ ASP 13.A OD1 no hydrogen 2.871 N/A VAL 18.A N PHE 14.A O no hydrogen 3.075 N/A GLY 19.A N ALA 15.A O no hydrogen 2.803 N/A GLY 20.A N ALA 16.A O no hydrogen 2.959 N/A ARG 22.A N GLY 19.A O no hydrogen 3.125 N/A ARG 22.A NE ASP 119.A OD2 no hydrogen 3.262 N/A ARG 22.A NE TYR 126.A OH no hydrogen 3.436 N/A ARG 22.A NH2 ASP 119.A OD1 no hydrogen 3.372 N/A ARG 22.A NH2 ASP 119.A OD2 no hydrogen 2.931 N/A ARG 24.A N LEU 2.A O no hydrogen 2.747 N/A ASN 26.A N VAL 4.A O no hydrogen 2.847 N/A LEU 28.A N ALA 6.A O no hydrogen 2.982 N/A VAL 29.A N THR 7.A O no hydrogen 2.795 N/A ASP 32.A N LEU 231.A O no hydrogen 3.071 N/A SER 33.A OG GLY 30.A O no hydrogen 3.542 N/A SER 33.A OG PRO 31.A O no hydrogen 3.018 N/A HIS 36.A N ASP 34.A OD2 no hydrogen 2.976 N/A HIS 36.A NE2 HIS 96.A NE2 no hydrogen 3.290 N/A TYR 38.A N THR 35.A O no hydrogen 3.062 N/A TYR 38.A OH ASP 44.A OD2 no hydrogen 2.501 N/A ARG 41.A N ASP 44.A OD2 no hydrogen 3.130 N/A ARG 41.A NH1 ASP 44.A OD1 no hydrogen 3.293 N/A ASP 44.A N ARG 41.A O no hydrogen 2.987 N/A ALA 45.A N PRO 42.A O no hydrogen 3.159 N/A ILE 46.A N PRO 42.A O no hydrogen 3.353 N/A ALA 47.A N ALA 43.A O no hydrogen 2.908 N/A LEU 48.A N ASP 44.A O no hydrogen 2.908 N/A ALA 49.A N ALA 45.A O no hydrogen 2.862 N/A GLY 50.A N ILE 46.A O no hydrogen 3.108 N/A GLY 50.A N ALA 47.A O no hydrogen 3.146 N/A ALA 51.A N LEU 48.A O no hydrogen 3.023 N/A ASP 52.A N ASP 3.A O no hydrogen 3.030 N/A VAL 53.A N ASP 3.A O no hydrogen 3.073 N/A VAL 54.A N ALA 77.A O no hydrogen 2.871 N/A LEU 55.A N VAL 5.A O no hydrogen 2.775 N/A THR 56.A N.A ALA 79.A O no hydrogen 2.914 N/A THR 56.A N.B ALA 79.A O no hydrogen 2.893 N/A THR 56.A OG1.A GLU 62.A OE2 no hydrogen 2.714 N/A THR 56.A OG1.B ALA 79.A O no hydrogen 3.188 N/A ASN 57.A N GLU 62.A OE2 no hydrogen 2.697 N/A ASN 57.A ND2 GLY 58.A O no hydrogen 3.182 N/A ASN 57.A ND2 PRO 95.A O no hydrogen 3.098 N/A GLY 58.A N GLU 62.A OE1 no hydrogen 3.182 N/A PHE 61.A N GLY 58.A O no hydrogen 3.059 N/A GLU 62.A N GLU 62.A OE1 no hydrogen 2.939 N/A LEU 65.A N GLU 62.A O no hydrogen 3.297 N/A LEU 68.A N PHE 64.A O no hydrogen 3.206 N/A ILE 69.A N LEU 65.A O no hydrogen 2.943 N/A ALA 70.A N THR 66.A O no hydrogen 3.417 N/A ALA 71.A N ARG 67.A O no hydrogen 2.952 N/A SER 72.A N LEU 68.A O no hydrogen 3.042 N/A SER 72.A OG LEU 68.A O no hydrogen 3.046 N/A SER 72.A OG ILE 69.A O no hydrogen 3.064 N/A GLY 73.A N ILE 69.A O no hydrogen 3.111 N/A GLY 73.A N ALA 70.A O no hydrogen 3.072 N/A THR 74.A N SER 72.A OG no hydrogen 3.343 N/A THR 74.A OG1 LEU 48.A O no hydrogen 2.712 N/A ALA 76.A N THR 74.A OG1 no hydrogen 2.894 N/A ALA 77.A N ASP 52.A O no hydrogen 3.167 N/A ALA 79.A N VAL 54.A O no hydrogen 2.802 N/A LEU 81.A N THR 56.A O.A no hydrogen 2.777 N/A LEU 81.A N THR 56.A O.B no hydrogen 2.774 N/A THR 82.A OG1 ASN 57.A O no hydrogen 2.608 N/A ASP 83.A N THR 80.A O no hydrogen 3.192 N/A VAL 85.A N THR 82.A O no hydrogen 2.912 N/A THR 87.A OG1 HIS 93.A ND1 no hydrogen 2.802 N/A MET 88.A N TYR 167.A OH no hydrogen 3.029 N/A GLU 90.A N ALA 92.A O no hydrogen 3.157 N/A ASP 94.A N MET 88.A O no hydrogen 2.566 N/A HIS 96.A N ASP 94.A OD1 no hydrogen 3.071 N/A HIS 96.A ND1 ASP 94.A OD1 no hydrogen 2.649 N/A ALA 97.A N PRO 95.A O no hydrogen 2.795 N/A TRP 98.A NE1 SER 228.A O no hydrogen 3.011 N/A GLN 99.A N HIS 96.A O no hydrogen 3.326 N/A GLN 99.A NE2 TYR 227.A O no hydrogen 3.641 N/A GLN 99.A NE2 SER 228.A O no hydrogen 2.864 N/A ALA 100.A N ALA 97.A O no hydrogen 3.343 N/A VAL 101.A N TYR 172.A OH no hydrogen 3.063 N/A ASN 103.A N ALA 100.A O no hydrogen 2.952 N/A ASN 103.A ND2 ALA 97.A O no hydrogen 3.052 N/A ALA 104.A N ALA 100.A O no hydrogen 3.421 N/A LYS 105.A N VAL 101.A O no hydrogen 3.340 N/A LYS 105.A N PRO 102.A O no hydrogen 3.280 N/A LYS 105.A NZ ASP 138.A OD1 no hydrogen 2.643 N/A TYR 107.A N ASN 103.A O no hydrogen 3.079 N/A TYR 107.A OH ASN 57.A OD1 no hydrogen 2.676 N/A VAL 108.A N ALA 104.A O no hydrogen 2.985 N/A GLN 109.A N LYS 105.A O no hydrogen 2.949 N/A ASN 110.A N VAL 106.A O no hydrogen 2.809 N/A ASN 110.A ND2 LEU 81.A O no hydrogen 2.840 N/A ASN 110.A ND2 ASP 83.A O no hydrogen 2.752 N/A ILE 111.A N TYR 107.A O no hydrogen 2.905 N/A ALA 112.A N VAL 108.A O no hydrogen 2.998 N/A ALA 113.A N GLN 109.A O no hydrogen 3.116 N/A ALA 114.A N ASN 110.A O no hydrogen 3.119 N/A PHE 115.A N ILE 111.A O no hydrogen 2.893 N/A CYS 116.A N ALA 112.A O no hydrogen 2.804 N/A CYS 116.A SG ALA 112.A O no hydrogen 3.305 N/A CYS 116.A SG CYS 123.A O no hydrogen 3.631 N/A ALA 117.A N ALA 113.A O no hydrogen 2.706 N/A ALA 118.A N ALA 114.A O no hydrogen 3.071 N/A ASP 119.A N CYS 116.A O no hydrogen 3.355 N/A GLY 122.A N ASP 119.A O no hydrogen 3.118 N/A CYS 123.A N ALA 120.A O no hydrogen 3.170 N/A TYR 126.A N GLY 122.A O no hydrogen 2.920 N/A TYR 126.A OH ASP 119.A OD2 no hydrogen 2.634 N/A GLN 127.A N CYS 123.A O no hydrogen 2.907 N/A ALA 128.A N ALA 124.A O no hydrogen 2.965 N/A ASN 129.A N ALA 125.A O no hydrogen 2.829 N/A ASN 129.A ND2 VAL 18.A O no hydrogen 3.015 N/A ALA 130.A N TYR 126.A O no hydrogen 2.862 N/A ALA 131.A N GLN 127.A O no hydrogen 2.927 N/A ARG 132.A N ALA 128.A O no hydrogen 2.983 N/A ARG 132.A NH2 ASN 129.A OD1 no hydrogen 2.965 N/A TYR 133.A N ASN 129.A O no hydrogen 2.850 N/A ILE 134.A N ALA 130.A O no hydrogen 2.784 N/A GLY 135.A N ALA 131.A O no hydrogen 3.233 N/A GLU 136.A N ARG 132.A O no hydrogen 3.337 N/A LEU 137.A N TYR 133.A O no hydrogen 2.977 N/A ASP 138.A N ILE 134.A O no hydrogen 2.997 N/A ALA 139.A N GLY 135.A O no hydrogen 3.109 N/A LEU 140.A N GLU 136.A O no hydrogen 3.003 N/A ASP 141.A N LEU 137.A O no hydrogen 2.873 N/A THR 142.A N ASP 138.A O no hydrogen 3.167 N/A THR 142.A OG1 ASP 138.A O no hydrogen 3.231 N/A GLU 143.A N ALA 139.A O no hydrogen 3.027 N/A ILE 144.A N LEU 140.A O no hydrogen 3.063 N/A ARG 145.A N ASP 141.A O no hydrogen 3.218 N/A ARG 145.A NE ASP 141.A OD2 no hydrogen 2.943 N/A ARG 145.A NH1 ALA 171.A O no hydrogen 2.829 N/A ARG 145.A NH2 ASP 141.A OD1 no hydrogen 2.750 N/A ARG 145.A NH2 ASP 141.A OD2 no hydrogen 3.226 N/A ALA 146.A N THR 142.A O no hydrogen 3.038 N/A ALA 147.A N GLU 143.A O no hydrogen 3.004 N/A ILE 148.A N ILE 144.A O no hydrogen 3.056 N/A ALA 149.A N ARG 145.A O no hydrogen 2.774 N/A ALA 150.A N ALA 146.A O no hydrogen 3.131 N/A LEU 151.A N ILE 148.A O no hydrogen 3.120 N/A ASP 154.A N ASP 154.A OD2 no hydrogen 2.665 N/A ARG 155.A N PRO 152.A O no hydrogen 3.401 N/A ARG 155.A NE SER 198.A OG no hydrogen 2.969 N/A ARG 156.A NE PRO 152.A O no hydrogen 3.255 N/A ARG 156.A NH1 GLY 173.A O no hydrogen 3.233 N/A ARG 156.A NH2 LEU 151.A O no hydrogen 3.030 N/A VAL 158.A N HIS 175.A O no hydrogen 2.957 N/A VAL 159.A N ALA 199.A O no hydrogen 2.742 N/A VAL 160.A N LEU 177.A O no hydrogen 2.757 N/A HIS 162.A N GLU 203.A OE1 no hydrogen 2.880 N/A HIS 162.A ND1 GLU 203.A OE2 no hydrogen 2.714 N/A ALA 164.A N HIS 162.A O no hydrogen 2.802 N/A ARG 166.A NH1 GLU 89.A O no hydrogen 3.291 N/A ARG 166.A NH1 ASP 94.A OD2 no hydrogen 3.042 N/A ARG 166.A NH2 GLU 89.A O no hydrogen 3.402 N/A TYR 167.A OH ASP 94.A O no hydrogen 2.660 N/A GLU 169.A N PHE 165.A O no hydrogen 2.862 N/A ALA 170.A N ARG 166.A O no hydrogen 2.979 N/A ALA 171.A N TYR 167.A O no hydrogen 2.955 N/A TYR 172.A N PHE 168.A O no hydrogen 2.773 N/A TYR 172.A N GLU 169.A O no hydrogen 3.307 N/A TYR 172.A OH ASP 141.A OD1 no hydrogen 2.835 N/A GLY 173.A N GLU 169.A O no hydrogen 2.977 N/A HIS 175.A N ARG 156.A O no hydrogen 2.733 N/A HIS 175.A ND1 GLU 169.A OE2 no hydrogen 2.903 N/A LEU 177.A N VAL 158.A O no hydrogen 2.885 N/A ILE 189.A N VAL 185.A O no hydrogen 3.149 N/A ARG 190.A N ALA 186.A O no hydrogen 3.203 N/A GLU 191.A N GLY 187.A O no hydrogen 2.955 N/A ILE 192.A N LEU 188.A O no hydrogen 2.639 N/A ARG 193.A N ILE 189.A O no hydrogen 3.017 N/A ALA 194.A N ARG 190.A O no hydrogen 2.818 N/A ARG 195.A N GLU 191.A O no hydrogen 2.826 N/A ARG 195.A NH1 THR 157.A OG1 no hydrogen 3.275 N/A ASN 196.A N ARG 193.A O no hydrogen 3.295 N/A ALA 197.A N ILE 192.A O no hydrogen 2.991 N/A SER 198.A N THR 157.A O no hydrogen 2.868 N/A SER 198.A OG THR 157.A O no hydrogen 3.387 N/A PHE 201.A N VAL 159.A O no hydrogen 2.778 N/A ALA 202.A N GLY 224.A O no hydrogen 2.886 N/A ASN 204.A N LEU 226.A O no hydrogen 3.180 N/A ASN 204.A ND2 ASP 32.A OD1 no hydrogen 2.836 N/A ASN 204.A ND2 ALA 230.A O no hydrogen 3.083 N/A THR 208.A OG1 GLU 212.A OE1 no hydrogen 2.841 N/A ARG 209.A N ASP 207.A OD2 no hydrogen 2.383 N/A ILE 214.A N LEU 210.A O no hydrogen 2.359 N/A ALA 215.A N LEU 211.A O no hydrogen 3.043 N/A ARG 216.A N GLU 212.A O no hydrogen 3.423 N/A GLU 217.A N GLN 213.A O no hydrogen 3.252 N/A ALA 218.A N ILE 214.A O no hydrogen 2.989 N/A GLY 219.A N ARG 216.A O no hydrogen 2.668 N/A LEU 220.A N ALA 215.A O no hydrogen 2.874 N/A ALA 223.A N ILE 200.A O no hydrogen 2.762 N/A LEU 226.A N ALA 202.A O no hydrogen 2.864 N/A TYR 227.A N ASN 248.A OD1 no hydrogen 2.897 N/A SER 228.A N ASN 204.A OD1 no hydrogen 3.357 N/A SER 228.A OG GLU 203.A OE2 no hydrogen 2.923 N/A LEU 231.A N SER 9.A OG no hydrogen 3.007 N/A SER 232.A N ALA 238.A O no hydrogen 2.709 N/A SER 232.A OG GLY 233.A O no hydrogen 2.966 N/A GLY 236.A N GLY 233.A O no hydrogen 3.058 N/A ALA 238.A N SER 232.A OG no hydrogen 2.862 N/A TYR 241.A N ASP 13.A OD2 no hydrogen 2.875 N/A TYR 241.A OH TRP 98.A O no hydrogen 2.626 N/A ALA 243.A N ASN 240.A OD1 no hydrogen 2.981 N/A MET 244.A N ASN 240.A O no hydrogen 2.846 N/A MET 245.A N TYR 241.A O no hydrogen 2.899 N/A ARG 246.A N ILE 242.A O no hydrogen 2.896 N/A ARG 246.A NE GLU 143.A OE1 no hydrogen 2.971 N/A ARG 246.A NH1 GLU 143.A OE2 no hydrogen 3.298 N/A HIS 247.A N ALA 243.A O no hydrogen 2.929 N/A HIS 247.A NE2 THR 225.A O no hydrogen 2.723 N/A ASN 248.A N MET 244.A O no hydrogen 3.005 N/A ASN 248.A ND2 TYR 227.A O no hydrogen 2.700 N/A ALA 249.A N MET 245.A O no hydrogen 2.862 N/A GLY 250.A N ARG 246.A O no hydrogen 2.878 N/A ALA 251.A N HIS 247.A O no hydrogen 2.816 N/A ILE 252.A N ASN 248.A O no hydrogen 2.955 N/A ALA 253.A N ALA 249.A O no hydrogen 2.965 N/A ALA 254.A N GLY 250.A O no hydrogen 2.823 N/A ALA 255.A N ALA 251.A O no hydrogen 3.155 N/A LEU 256.A N ILE 252.A O no hydrogen 2.964 N/A ALA 257.A N ALA 253.A O no hydrogen 2.925 N/A ALA 258.A N ALA 254.A O no hydrogen 3.341 N/A ALA 258.A N ALA 255.A O no hydrogen 3.261 N/A ARG 259.A NH2 ASP 154.A OD1 no hydrogen 2.623 N/A