Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 2ymm_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): SER 1.A OG ALA 105.A O no hydrogen 3.086 N/A ILE 3.A N GLU 165.A O no hydrogen 2.823 N/A LEU 4.A N ARG 108.A O no hydrogen 2.857 N/A VAL 5.A N CYS 167.A O no hydrogen 2.769 N/A PHE 6.A N VAL 110.A O no hydrogen 2.796 N/A ASP 7.A N ILE 169.A O no hydrogen 2.872 N/A ASN 9.A ND2 SER 115.A OG no hydrogen 3.068 N/A THR 11.A OG1 ASP 7.A OD2 no hydrogen 2.615 N/A LEU 12.A N VAL 8.A O no hydrogen 3.026 N/A LEU 13.A N VAL 8.A O no hydrogen 3.089 N/A ASP 14.A N PRO 90.A O no hydrogen 2.775 N/A THR 16.A N ASP 14.A OD1 no hydrogen 2.962 N/A THR 16.A OG1 ASP 14.A OD1 no hydrogen 2.656 N/A THR 16.A OG1 ASP 14.A OD2 no hydrogen 3.492 N/A SER 17.A N ASP 14.A O no hydrogen 3.089 N/A SER 17.A OG ASP 14.A O no hydrogen 2.704 N/A LEU 18.A N LEU 15.A O no hydrogen 2.991 N/A SER 19.A N THR 16.A O no hydrogen 3.000 N/A SER 19.A OG.A THR 16.A O no hydrogen 2.965 N/A SER 19.A OG.B THR 16.A O no hydrogen 2.975 N/A LEU 21.A N LEU 18.A O no hydrogen 3.030 N/A PHE 22.A N LEU 18.A O no hydrogen 3.424 N/A GLU 23.A N SER 19.A O no hydrogen 2.849 N/A ARG 24.A N PRO 20.A O no hydrogen 2.929 N/A ARG 24.A NH1 ASP 78.A OD1 no hydrogen 2.757 N/A ARG 24.A NH2 ASP 78.A OD1 no hydrogen 2.933 N/A ARG 24.A NH2 GLU 81.A OE1 no hydrogen 2.801 N/A VAL 25.A N LEU 21.A O no hydrogen 2.941 N/A PHE 26.A N PHE 22.A O no hydrogen 2.918 N/A GLY 27.A N GLU 23.A O no hydrogen 2.830 N/A ALA 29.A N GLU 23.A OE1.A no hydrogen 3.131 N/A LYS 30.A N ASP 28.A OD1 no hydrogen 3.101 N/A VAL 31.A N ASP 28.A O no hydrogen 3.315 N/A LEU 32.A N ALA 29.A O no hydrogen 3.074 N/A ARG 33.A N LYS 30.A O no hydrogen 2.917 N/A ARG 33.A NH1 GLU 10.A OE2 no hydrogen 2.846 N/A GLU 34.A N VAL 31.A O no hydrogen 2.973 N/A TRP 35.A N VAL 31.A O no hydrogen 2.962 N/A TRP 35.A NE1 ALA 59.A O no hydrogen 3.194 N/A PHE 36.A N LEU 32.A O no hydrogen 2.989 N/A GLU 38.A N GLU 34.A O no hydrogen 3.274 N/A LEU 39.A N TRP 35.A O no hydrogen 2.843 N/A ILE 40.A N PHE 36.A O no hydrogen 3.022 N/A LEU 41.A N PRO 37.A O no hydrogen 2.770 N/A TYR 42.A N GLU 38.A O no hydrogen 2.941 N/A SER 43.A N LEU 39.A O no hydrogen 2.955 N/A SER 43.A OG ILE 40.A O no hydrogen 2.719 N/A GLN 44.A N ILE 40.A O no hydrogen 2.982 N/A THR 45.A N LEU 41.A O no hydrogen 2.855 N/A THR 45.A OG1 LEU 41.A O no hydrogen 3.327 N/A LEU 46.A N TYR 42.A O no hydrogen 2.973 N/A THR 47.A N SER 43.A O no hydrogen 3.117 N/A THR 47.A OG1 SER 43.A O no hydrogen 2.955 N/A LEU 48.A N GLN 44.A O no hydrogen 2.855 N/A THR 49.A N THR 45.A O no hydrogen 3.089 N/A THR 49.A N LEU 46.A O no hydrogen 3.143 N/A THR 49.A OG1 THR 45.A O no hydrogen 2.902 N/A THR 49.A OG1 LEU 46.A O no hydrogen 3.235 N/A GLY 50.A N THR 47.A O no hydrogen 3.332 N/A LEU 51.A N LEU 46.A O no hydrogen 2.937 N/A TYR 52.A OH HIS 140.A ND1 no hydrogen 2.733 N/A ARG 53.A NE GLU 57.A OE1 no hydrogen 3.056 N/A ARG 53.A NH2 GLU 57.A OE1 no hydrogen 2.984 N/A ARG 53.A NH2 GLU 57.A OE2 no hydrogen 3.125 N/A GLU 57.A N PRO 54.A O no hydrogen 2.950 N/A ILE 58.A N PRO 54.A O no hydrogen 3.120 N/A ALA 59.A N PHE 55.A O no hydrogen 2.823 N/A ALA 60.A N GLY 56.A O no hydrogen 3.080 N/A ALA 61.A N GLU 57.A O no hydrogen 3.046 N/A VAL 62.A N ILE 58.A O no hydrogen 2.847 N/A PHE 63.A N ALA 59.A O no hydrogen 2.960 N/A GLU 64.A N ALA 60.A O no hydrogen 2.969 N/A MET 65.A N ALA 61.A O no hydrogen 2.938 N/A VAL 66.A N VAL 62.A O no hydrogen 2.860 N/A ALA 67.A N PHE 63.A O no hydrogen 2.929 N/A ALA 68.A N GLU 64.A O no hydrogen 2.938 N/A ASN 69.A N MET 65.A O no hydrogen 2.851 N/A HIS 70.A N VAL 66.A O no hydrogen 3.041 N/A HIS 70.A N ALA 67.A O no hydrogen 3.052 N/A HIS 70.A NE2 GLU 34.A OE1.A no hydrogen 2.616 N/A HIS 70.A NE2 GLU 34.A OE1.B no hydrogen 3.092 N/A HIS 70.A NE2 GLU 34.A OE2.A no hydrogen 3.233 N/A GLN 71.A N ALA 68.A O no hydrogen 3.098 N/A ALA 72.A N ALA 67.A O no hydrogen 2.834 N/A THR 75.A N ASP 78.A OD2 no hydrogen 2.851 N/A ASP 78.A N THR 75.A OG1 no hydrogen 3.325 N/A ILE 79.A N THR 75.A O no hydrogen 3.269 N/A ALA 80.A N PRO 76.A O no hydrogen 2.900 N/A GLU 81.A N ASP 77.A O no hydrogen 2.879 N/A LEU 82.A N ASP 78.A O no hydrogen 2.865 N/A LYS 83.A N ILE 79.A O no hydrogen 3.134 N/A THR 84.A N ALA 80.A O no hydrogen 2.929 N/A THR 84.A OG1 ALA 80.A O no hydrogen 3.181 N/A ARG 85.A N GLU 81.A O no hydrogen 2.848 N/A ARG 85.A NE GLU 81.A OE2 no hydrogen 2.774 N/A ARG 85.A NH1 SER 17.A O no hydrogen 3.095 N/A ARG 85.A NH2 GLU 81.A OE2 no hydrogen 3.187 N/A LEU 86.A N LEU 82.A O no hydrogen 2.831 N/A THR 87.A N LYS 83.A O no hydrogen 3.178 N/A THR 87.A OG1 LYS 83.A O no hydrogen 2.927 N/A THR 87.A OG1 THR 84.A O no hydrogen 3.278 N/A SER 88.A N ARG 85.A O no hydrogen 3.096 N/A SER 88.A OG.A THR 84.A O no hydrogen 2.701 N/A SER 88.A OG.B THR 84.A O no hydrogen 2.732 N/A TYR 92.A N LEU 12.A O no hydrogen 3.380 N/A TYR 92.A OH GLU 10.A O no hydrogen 2.675 N/A VAL 95.A N TYR 92.A O no hydrogen 3.070 N/A ALA 98.A N ASP 94.A O no hydrogen 3.391 N/A LEU 99.A N VAL 95.A O no hydrogen 2.924 N/A THR 100.A N ALA 96.A O no hydrogen 2.918 N/A THR 100.A OG1 ALA 96.A O no hydrogen 2.841 N/A ARG 101.A N PRO 97.A O no hydrogen 3.015 N/A ARG 101.A NH1 GLY 213.A O no hydrogen 3.117 N/A ARG 101.A NH2 ASP 217.A OD1 no hydrogen 2.677 N/A LEU 102.A N ALA 98.A O no hydrogen 2.911 N/A GLN 103.A N LEU 99.A O no hydrogen 2.892 N/A ASP 104.A N THR 100.A O no hydrogen 2.908 N/A ALA 105.A N ARG 101.A O no hydrogen 3.018 N/A ALA 105.A N LEU 102.A O no hydrogen 3.243 N/A GLY 106.A N GLN 103.A O no hydrogen 2.910 N/A PHE 107.A N LEU 102.A O no hydrogen 3.104 N/A ARG 108.A N GLY 2.A O no hydrogen 3.115 N/A ARG 108.A NE GLU 134.A OE1 no hydrogen 2.892 N/A ARG 108.A NH2 GLU 134.A OE2 no hydrogen 2.666 N/A VAL 110.A N LEU 4.A O no hydrogen 2.884 N/A THR 111.A N ALA 135.A O no hydrogen 3.144 N/A THR 111.A OG1 HIS 136.A ND1 no hydrogen 3.023 N/A LEU 112.A N PHE 6.A O no hydrogen 2.961 N/A THR 113.A N LEU 137.A O no hydrogen 3.097 N/A SER 115.A N THR 113.A OG1 no hydrogen 3.099 N/A SER 118.A OG PRO 119.A O no hydrogen 2.681 N/A SER 122.A N GLU 125.A OE1 no hydrogen 2.843 N/A SER 122.A OG GLU 125.A OE1 no hydrogen 3.516 N/A GLU 125.A N SER 122.A OG no hydrogen 3.060 N/A LYS 126.A N SER 122.A O no hydrogen 2.902 N/A LYS 126.A NZ THR 87.A O no hydrogen 2.821 N/A LYS 126.A NZ SER 88.A OG.A no hydrogen 3.218 N/A ALA 127.A N PRO 123.A O no hydrogen 3.009 N/A GLY 128.A N GLU 125.A O no hydrogen 2.998 N/A ILE 129.A N LEU 124.A O no hydrogen 3.145 N/A ALA 130.A N LEU 124.A O no hydrogen 3.230 N/A PHE 132.A N ILE 129.A O no hydrogen 3.223 N/A PHE 133.A N ALA 130.A O no hydrogen 3.098 N/A GLU 134.A N LEU 109.A O no hydrogen 2.854 N/A HIS 136.A ND1 THR 111.A OG1 no hydrogen 3.023 N/A LEU 137.A N THR 111.A O no hydrogen 2.831 N/A THR 138.A OG1.B SER 115.A O no hydrogen 3.381 N/A VAL 139.A N THR 113.A O no hydrogen 3.119 N/A HIS 140.A N THR 138.A OG1.A no hydrogen 3.296 N/A HIS 140.A N THR 138.A OG1.B no hydrogen 2.679 N/A HIS 140.A ND1 TYR 52.A OH no hydrogen 2.733 N/A SER 142.A N VAL 139.A O no hydrogen 2.999 N/A SER 142.A OG.A VAL 139.A O no hydrogen 2.745 N/A SER 142.A OG.A ARG 144.A O no hydrogen 3.187 N/A SER 142.A OG.B SER 154.A OG.A no hydrogen 3.281 N/A GLN 143.A N VAL 139.A O no hydrogen 2.998 N/A GLN 143.A N HIS 140.A O no hydrogen 3.272 N/A ARG 144.A N SER 142.A OG.A no hydrogen 3.250 N/A ARG 144.A NH1 SER 150.A OG.B no hydrogen 3.012 N/A PHE 145.A N THR 47.A OG1 no hydrogen 2.949 N/A LYS 146.A N ASN 114.A OD1 no hydrogen 3.087 N/A LYS 146.A NZ LEU 112.A O no hydrogen 2.965 N/A LYS 146.A NZ ASP 175.A OD2 no hydrogen 2.735 N/A HIS 148.A N PHE 145.A O no hydrogen 2.993 N/A SER 150.A N HIS 148.A ND1 no hydrogen 3.024 N/A SER 150.A OG.A HIS 148.A ND1 no hydrogen 2.977 N/A VAL 151.A N HIS 148.A O no hydrogen 3.048 N/A TYR 152.A OH ASP 175.A OD1 no hydrogen 2.725 N/A ASP 153.A N PRO 149.A O no hydrogen 2.913 N/A SER 154.A N SER 150.A O no hydrogen 2.691 N/A SER 154.A OG.A SER 142.A OG.B no hydrogen 3.281 N/A SER 154.A OG.A SER 150.A O no hydrogen 2.937 N/A SER 154.A OG.A VAL 151.A O no hydrogen 3.203 N/A SER 154.A OG.B SER 150.A O no hydrogen 2.946 N/A THR 155.A N VAL 151.A O no hydrogen 3.135 N/A THR 155.A OG1 VAL 151.A O no hydrogen 2.807 N/A ALA 156.A N TYR 152.A O no hydrogen 3.011 N/A GLU 157.A N ASP 153.A O no hydrogen 2.922 N/A THR 158.A N SER 154.A O no hydrogen 2.893 N/A THR 158.A OG1 SER 154.A O no hydrogen 3.051 N/A LEU 159.A N THR 155.A O no hydrogen 2.992 N/A GLY 160.A N GLU 157.A O no hydrogen 3.029 N/A ALA 161.A N ALA 156.A O no hydrogen 2.923 N/A LYS 162.A N GLU 165.A OE1 no hydrogen 3.136 N/A LYS 162.A NZ.A GLU 164.A OE2.A no hydrogen 2.792 N/A GLU 165.A N LYS 162.A O no hydrogen 2.929 N/A LEU 166.A N PRO 163.A O no hydrogen 3.093 N/A CYS 167.A N ILE 3.A O no hydrogen 3.014 N/A MET 168.A N ARG 185.A O no hydrogen 2.906 N/A ILE 169.A N VAL 5.A O no hydrogen 2.706 N/A ALA 170.A N GLY 187.A O no hydrogen 3.037 N/A CYS 171.A N THR 11.A OG1 no hydrogen 2.902 N/A CYS 171.A SG THR 11.A OG1 no hydrogen 3.456 N/A HIS 172.A NE2 GLU 10.A OE1 no hydrogen 2.717 N/A ASP 175.A N HIS 172.A O no hydrogen 3.009 N/A THR 176.A N HIS 172.A O no hydrogen 3.410 N/A THR 176.A OG1 ILE 173.A O no hydrogen 3.175 N/A ILE 177.A N ILE 173.A O no hydrogen 2.869 N/A GLY 178.A N TRP 174.A O no hydrogen 3.123 N/A ALA 179.A N ASP 175.A O no hydrogen 3.092 N/A GLN 180.A N THR 176.A O no hydrogen 2.871 N/A GLN 180.A NE2 GLN 204.A O no hydrogen 3.130 N/A ALA 181.A N ILE 177.A O no hydrogen 3.020 N/A ARG 182.A N ALA 179.A O no hydrogen 2.938 N/A ARG 182.A NE ASP 153.A OD1 no hydrogen 3.145 N/A ARG 182.A NH2 ASP 153.A OD2 no hydrogen 3.267 N/A GLY 183.A N GLN 180.A O no hydrogen 3.034 N/A TRP 184.A N ALA 179.A O no hydrogen 3.219 N/A ARG 185.A N LEU 166.A O no hydrogen 2.881 N/A GLY 186.A N ASP 206.A OD2 no hydrogen 2.907 N/A GLY 187.A N MET 168.A O no hydrogen 2.724 N/A PHE 188.A N PHE 207.A O no hydrogen 2.814 N/A VAL 189.A N ALA 170.A O no hydrogen 2.995 N/A ALA 190.A N.A GLY 209.A O no hydrogen 2.878 N/A ALA 190.A N.B GLY 209.A O no hydrogen 2.857 N/A ARG 191.A N.A VAL 189.A O no hydrogen 3.004 N/A ARG 191.A NE.A THR 11.A O no hydrogen 3.025 N/A ARG 191.A NE.B THR 11.A O no hydrogen 3.208 N/A ARG 191.A NH1.A ASP 94.A OD2 no hydrogen 2.955 N/A ARG 191.A NH1.B ASP 94.A OD1 no hydrogen 3.383 N/A ARG 191.A NH1.B ASP 94.A OD2 no hydrogen 3.037 N/A ARG 191.A NH2.A THR 11.A O no hydrogen 2.850 N/A ARG 191.A NH2.A ASP 94.A OD1 no hydrogen 3.115 N/A ARG 191.A NH2.B THR 11.A O no hydrogen 3.140 N/A ARG 191.A NH2.B ASP 94.A OD1 no hydrogen 2.799 N/A ASN 194.A N ARG 191.A O.A no hydrogen 2.978 N/A ASN 194.A N ARG 191.A O.B no hydrogen 2.991 N/A ASN 194.A ND2 GLU 10.A OE2 no hydrogen 2.928 N/A ASN 194.A ND2 ARG 191.A O.A no hydrogen 3.438 N/A ASN 194.A ND2 ARG 191.A O.B no hydrogen 3.384 N/A ASN 194.A ND2 PRO 192.A O no hydrogen 3.063 N/A VAL 202.A N LEU 199.A O no hydrogen 3.141 N/A GLN 204.A NE2 LEU 197.A O no hydrogen 3.591 N/A ASP 206.A N GLY 186.A O no hydrogen 2.831 N/A PHE 207.A N GLY 186.A O no hydrogen 3.105 N/A ILE 208.A N GLN 218.A OE1 no hydrogen 3.120 N/A GLY 209.A N PHE 188.A O no hydrogen 2.916 N/A ARG 210.A N GLU 214.A OE1.A no hydrogen 2.858 N/A ARG 210.A N GLU 214.A OE1.B no hydrogen 3.324 N/A ARG 210.A NE GLU 214.A OE1.A no hydrogen 2.900 N/A ARG 210.A NE GLU 214.A OE2.A no hydrogen 3.320 N/A ARG 210.A NH2 GLU 214.A OE2.A no hydrogen 2.566 N/A MET 212.A N ASP 94.A OD2 no hydrogen 2.946 N/A GLU 214.A N ASP 211.A OD1 no hydrogen 2.916 N/A LEU 215.A N ASP 211.A O no hydrogen 3.090 N/A ALA 216.A N MET 212.A O no hydrogen 2.955 N/A ASP 217.A N GLY 213.A O no hydrogen 2.989 N/A GLN 218.A N GLU 214.A O no hydrogen 3.270 N/A LEU 219.A N LEU 215.A O no hydrogen 2.966 N/A ILE 220.A N ALA 216.A O no hydrogen 2.876 N/A ALA 221.A N ASP 217.A O no hydrogen 2.908 N/A SER 222.A N GLN 218.A O no hydrogen 3.145 N/A SER 222.A OG LEU 219.A O no hydrogen 2.788 N/A LEU 223.A N ILE 220.A O no hydrogen 3.180 N/A THR 224.A N ALA 221.A O no hydrogen 3.262 N/A THR 224.A OG1 ALA 221.A O no hydrogen 3.555 N/A