Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 5g2i_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): MET 1.A N ARG 207.A O no hydrogen 2.525 N/A ILE 3.A N VAL 209.A O no hydrogen 2.778 N/A ALA 5.A N VAL 211.A O no hydrogen 2.857 N/A LEU 6.A N HIS 41.A O no hydrogen 2.969 N/A LEU 8.A N VAL 43.A O no hydrogen 2.778 N/A ILE 9.A N THR 12.A O no hydrogen 2.902 N/A ASP 10.A N THR 46.A OG1 no hydrogen 2.862 N/A GLY 11.A N GLN 55.A OE1 no hydrogen 2.812 N/A THR 12.A N ILE 9.A O no hydrogen 2.834 N/A THR 12.A OG1 ASN 23.A OD1 no hydrogen 2.644 N/A VAL 13.A N GLY 22.A O no hydrogen 2.842 N/A VAL 14.A N ASP 7.A O no hydrogen 3.036 N/A ARG 15.A N ARG 19.A O no hydrogen 2.969 N/A ARG 19.A N ARG 15.A O no hydrogen 3.238 N/A ARG 19.A NH1 TYR 21.A OH no hydrogen 3.203 N/A TYR 21.A N VAL 13.A O no hydrogen 2.784 N/A GLY 22.A N ASP 20.A OD1 no hydrogen 2.606 N/A ARG 28.A N ASP 24.A O no hydrogen 3.403 N/A ARG 28.A NE ASP 24.A OD1 no hydrogen 3.169 N/A ARG 28.A NH2 TYR 21.A O no hydrogen 2.949 N/A LEU 29.A N PRO 25.A O no hydrogen 2.979 N/A GLN 30.A N LEU 26.A O no hydrogen 2.856 N/A GLN 30.A NE2 GLY 65.A O no hydrogen 2.928 N/A ASP 31.A N PRO 27.A O no hydrogen 3.006 N/A TYR 32.A N ARG 28.A O no hydrogen 3.055 N/A ALA 33.A N LEU 29.A O no hydrogen 2.960 N/A ALA 34.A N GLN 30.A O no hydrogen 2.862 N/A GLN 35.A N ASP 31.A O no hydrogen 3.229 N/A GLN 35.A N TYR 32.A O no hydrogen 3.228 N/A GLN 35.A NE2 ASP 31.A O no hydrogen 3.217 N/A GLY 36.A N ALA 33.A O no hydrogen 2.969 N/A ALA 37.A N TYR 32.A O no hydrogen 3.310 N/A LEU 40.A N PRO 69.A O no hydrogen 2.972 N/A HIS 41.A N PRO 4.A O no hydrogen 2.922 N/A LEU 42.A N GLN 71.A O no hydrogen 2.910 N/A VAL 43.A N LEU 6.A O no hydrogen 2.932 N/A ASP 44.A N GLY 73.A O no hydrogen 2.902 N/A LEU 45.A N LEU 8.A O no hydrogen 2.931 N/A THR 46.A OG1 ASP 10.A OD1.B no hydrogen 3.353 N/A GLY 47.A N ASP 44.A OD1 no hydrogen 2.833 N/A ALA 48.A N ASP 44.A O no hydrogen 2.969 N/A LYS 49.A N LEU 45.A O no hydrogen 3.222 N/A LYS 49.A N THR 46.A O no hydrogen 3.189 N/A ASP 50.A N THR 46.A O no hydrogen 3.008 N/A ALA 52.A N ASP 50.A OD1 no hydrogen 3.146 N/A LYS 53.A N ASP 50.A O no hydrogen 2.853 N/A ARG 54.A N PRO 51.A O no hydrogen 3.073 N/A ARG 54.A NH1 GLY 74.A O no hydrogen 2.781 N/A ARG 54.A NH2 GLY 75.A O no hydrogen 2.931 N/A GLN 55.A N ASP 44.A OD2 no hydrogen 2.939 N/A GLN 55.A NE2 LEU 8.A O no hydrogen 3.192 N/A GLN 55.A NE2 ASP 44.A OD1 no hydrogen 2.659 N/A ILE 56.A N ARG 54.A O no hydrogen 2.803 N/A ILE 59.A N GLN 55.A O no hydrogen 2.919 N/A LYS 60.A N ILE 56.A O no hydrogen 2.838 N/A THR 61.A N PRO 57.A O no hydrogen 3.143 N/A THR 61.A OG1.A PRO 57.A O no hydrogen 3.167 N/A THR 61.A OG1.B LEU 58.A O no hydrogen 2.533 N/A LEU 62.A N LEU 58.A O no hydrogen 2.883 N/A VAL 63.A N ILE 59.A O no hydrogen 2.949 N/A ALA 64.A N LYS 60.A O no hydrogen 3.031 N/A GLY 65.A N LEU 62.A O no hydrogen 3.126 N/A GLN 71.A N LEU 40.A O no hydrogen 2.833 N/A GLN 71.A NE2 HIS 41.A ND1 no hydrogen 2.962 N/A GLN 71.A NE2 GLN 187.A OE1 no hydrogen 2.878 N/A VAL 72.A N ARG 92.A O no hydrogen 2.933 N/A GLY 73.A N LEU 42.A O no hydrogen 2.992 N/A ARG 77.A N ASP 81.A OD2 no hydrogen 2.937 N/A ARG 77.A NH1 SER 97.A OG no hydrogen 3.118 N/A ARG 77.A NH2 ALA 48.A O no hydrogen 3.272 N/A THR 78.A N ASP 81.A OD2 no hydrogen 2.769 N/A THR 78.A OG1 GLU 80.A OE1 no hydrogen 3.466 N/A ASP 81.A N THR 78.A OG1 no hydrogen 3.090 N/A VAL 82.A N THR 78.A O no hydrogen 3.184 N/A ALA 83.A N GLU 79.A O no hydrogen 2.933 N/A ALA 84.A N GLU 80.A O no hydrogen 2.914 N/A LEU 85.A N ASP 81.A O no hydrogen 3.125 N/A LEU 86.A N VAL 82.A O no hydrogen 3.024 N/A LYS 87.A N ALA 83.A O no hydrogen 2.905 N/A ALA 88.A N ALA 84.A O no hydrogen 3.048 N/A GLY 89.A N LEU 86.A O no hydrogen 2.978 N/A VAL 90.A N LEU 85.A O no hydrogen 3.174 N/A ALA 91.A N VAL 70.A O no hydrogen 3.026 N/A ARG 92.A N VAL 70.A O no hydrogen 3.436 N/A ARG 92.A NE GLN 71.A OE1 no hydrogen 3.330 N/A ARG 92.A NH2 GLN 71.A OE1 no hydrogen 2.673 N/A VAL 93.A N ALA 117.A O no hydrogen 2.816 N/A VAL 94.A N VAL 72.A O no hydrogen 2.814 N/A ILE 95.A N VAL 119.A O no hydrogen 2.786 N/A THR 98.A OG1 VAL 76.A O no hydrogen 3.239 N/A ALA 99.A N GLY 96.A O no hydrogen 2.975 N/A VAL 100.A N SER 97.A O no hydrogen 3.007 N/A LYS 101.A N SER 97.A O no hydrogen 2.918 N/A SER 102.A N THR 98.A O no hydrogen 2.908 N/A VAL 106.A N SER 102.A O no hydrogen 3.048 N/A LYS 107.A N PRO 103.A O no hydrogen 2.790 N/A GLY 108.A N ASP 104.A O no hydrogen 3.219 N/A TRP 109.A N VAL 105.A O no hydrogen 3.227 N/A PHE 110.A N VAL 106.A O no hydrogen 3.074 N/A GLU 111.A N LYS 107.A O no hydrogen 3.157 N/A ARG 112.A N GLY 108.A O no hydrogen 2.895 N/A ARG 112.A NH1 GLU 79.A OE2 no hydrogen 2.458 N/A PHE 113.A N TRP 109.A O no hydrogen 2.779 N/A GLY 114.A N PHE 110.A O no hydrogen 2.895 N/A GLN 116.A NE2 HIS 161.A NE2 no hydrogen 2.830 N/A ALA 117.A N GLY 114.A O no hydrogen 3.074 N/A LEU 118.A N ALA 115.A O no hydrogen 3.480 N/A VAL 119.A N VAL 93.A O no hydrogen 2.818 N/A LEU 120.A N HIS 161.A O no hydrogen 3.047 N/A ALA 121.A N ILE 95.A O no hydrogen 2.757 N/A LEU 122.A N LEU 163.A O.A no hydrogen 2.780 N/A LEU 122.A N LEU 163.A O.B no hydrogen 2.750 N/A VAL 124.A N THR 165.A O no hydrogen 2.783 N/A ARG 125.A N GLN 133.A O no hydrogen 2.828 N/A ARG 125.A NH1 GLN 140.A O no hydrogen 2.929 N/A ARG 125.A NH1 ASN 142.A OD1 no hydrogen 2.828 N/A ARG 125.A NH2 GLN 140.A O no hydrogen 3.097 N/A ILE 126.A N SER 168.A OG no hydrogen 3.147 N/A ASP 127.A N THR 131.A O no hydrogen 3.002 N/A GLU 128.A N GLU 128.A OE1 no hydrogen 2.754 N/A HIS 129.A N ASP 127.A OD1 no hydrogen 2.941 N/A HIS 129.A ND1 ASP 127.A OD2 no hydrogen 3.324 N/A GLY 130.A N ASP 127.A O no hydrogen 3.006 N/A GLY 130.A N ASP 127.A OD1 no hydrogen 2.963 N/A THR 131.A N ASP 127.A OD1 no hydrogen 2.911 N/A LYS 132.A NZ GLU 148.A OE2 no hydrogen 2.904 N/A LYS 132.A NZ GLU 176.A OE1 no hydrogen 2.750 N/A GLN 133.A N ARG 125.A O no hydrogen 2.906 N/A GLN 133.A NE2 ASP 127.A OD2 no hydrogen 2.563 N/A VAL 134.A N VAL 145.A O no hydrogen 2.894 N/A ALA 135.A N ASP 123.A O no hydrogen 2.982 N/A SER 137.A OG GLN 140.A OE1 no hydrogen 2.721 N/A SER 143.A N VAL 134.A O no hydrogen 3.012 N/A SER 143.A OG.B VAL 134.A O no hydrogen 3.083 N/A SER 146.A N GLN 149.A OE1 no hydrogen 2.942 N/A LEU 147.A N LYS 132.A O no hydrogen 2.830 N/A GLU 148.A N GLU 148.A OE1 no hydrogen 2.862 N/A GLN 149.A N SER 146.A OG no hydrogen 3.072 N/A LEU 150.A N SER 146.A O no hydrogen 2.987 N/A VAL 151.A N LEU 147.A O no hydrogen 2.854 N/A GLU 152.A N GLU 148.A O no hydrogen 2.969 N/A THR 153.A N GLN 149.A O no hydrogen 3.142 N/A THR 153.A N LEU 150.A O no hydrogen 3.139 N/A THR 153.A OG1 GLN 149.A O no hydrogen 3.050 N/A TYR 154.A N VAL 151.A O no hydrogen 3.053 N/A TYR 154.A OH ALA 99.A O no hydrogen 2.648 N/A LEU 155.A N VAL 151.A O no hydrogen 3.083 N/A VAL 157.A N TYR 154.A O no hydrogen 3.064 N/A GLY 158.A N LEU 155.A O no hydrogen 2.995 N/A LEU 159.A N TYR 154.A O no hydrogen 3.324 N/A LYS 160.A NZ GLN 183.A O no hydrogen 2.827 N/A VAL 162.A N ALA 185.A O no hydrogen 3.315 N/A LEU 163.A N.A LEU 120.A O no hydrogen 2.774 N/A LEU 163.A N.B LEU 120.A O no hydrogen 2.747 N/A CYS 164.A N GLN 187.A O no hydrogen 2.800 N/A THR 165.A N LEU 122.A O no hydrogen 2.990 N/A ILE 167.A N VAL 124.A O no hydrogen 2.816 N/A SER 168.A N ASP 166.A OD1 no hydrogen 2.906 N/A SER 168.A OG ASP 166.A OD1 no hydrogen 2.526 N/A SER 172.A OG.B SER 169.A O no hydrogen 2.897 N/A LEU 173.A N SER 169.A O no hydrogen 3.028 N/A TYR 174.A N ASN 170.A O no hydrogen 3.350 N/A TYR 174.A OH CYS 164.A O no hydrogen 2.620 N/A GLU 175.A N VAL 171.A O no hydrogen 2.880 N/A GLU 176.A N SER 172.A O no hydrogen 2.925 N/A VAL 177.A N LEU 173.A O no hydrogen 3.080 N/A CYS 178.A N TYR 174.A O no hydrogen 2.952 N/A CYS 178.A SG TYR 174.A O no hydrogen 3.162 N/A ALA 179.A N GLU 175.A O no hydrogen 3.096 N/A ARG 180.A N GLU 176.A O no hydrogen 3.105 N/A ARG 180.A NE.A GLU 152.A OE2 no hydrogen 3.468 N/A ARG 180.A NE.A TYR 181.A OH no hydrogen 2.976 N/A ARG 180.A NE.B GLU 152.A OE2 no hydrogen 3.461 N/A ARG 180.A NE.B TYR 181.A OH no hydrogen 2.969 N/A ARG 180.A NH2.A GLU 152.A OE2 no hydrogen 2.976 N/A ARG 180.A NH2.B GLU 152.A OE2 no hydrogen 2.974 N/A TYR 181.A N VAL 177.A O no hydrogen 3.068 N/A TYR 181.A OH GLU 152.A OE2 no hydrogen 2.549 N/A GLN 183.A N GLN 183.A OE1 no hydrogen 2.700 N/A ILE 184.A N TYR 181.A O no hydrogen 3.011 N/A ALA 185.A N LYS 160.A O no hydrogen 2.783 N/A GLN 187.A N VAL 162.A O no hydrogen 2.718 N/A GLN 187.A NE2 GLN 71.A OE1 no hydrogen 3.105 N/A SER 188.A N GLY 208.A O no hydrogen 2.853 N/A SER 188.A OG.A GLY 208.A O no hydrogen 3.425 N/A SER 188.A OG.B TYR 174.A OH no hydrogen 2.832 N/A SER 189.A N CYS 164.A O no hydrogen 3.241 N/A SER 189.A OG THR 165.A OG1 no hydrogen 3.351 N/A GLY 193.A N ASP 197.A OD2 no hydrogen 2.691 N/A ASP 194.A N ASP 197.A OD2 no hydrogen 3.019 N/A ASP 197.A N ASP 194.A O no hydrogen 3.062 N/A ASP 197.A N ASP 194.A OD1 no hydrogen 3.105 N/A ILE 198.A N ILE 195.A O no hydrogen 2.936 N/A ALA 199.A N ILE 195.A O no hydrogen 3.163 N/A ALA 200.A N ASP 196.A O no hydrogen 3.011 N/A LEU 201.A N ILE 198.A O no hydrogen 3.009 N/A ARG 202.A N ALA 199.A O no hydrogen 3.143 N/A ARG 202.A NH1 CYS 228.A O no hydrogen 2.873 N/A THR 204.A N LEU 201.A O no hydrogen 3.203 N/A THR 204.A OG1 LEU 201.A O no hydrogen 2.836 N/A VAL 206.A N THR 204.A OG1 no hydrogen 3.314 N/A ARG 207.A N PHE 186.A O no hydrogen 2.827 N/A GLY 208.A N PHE 186.A O no hydrogen 3.176 N/A VAL 209.A N MET 1.A O no hydrogen 2.919 N/A ILE 210.A N.A SER 188.A O no hydrogen 2.842 N/A ILE 210.A N.B SER 188.A O no hydrogen 2.850 N/A VAL 211.A N ILE 3.A O no hydrogen 2.978 N/A ARG 213.A NE GLU 217.A OE2 no hydrogen 2.886 N/A ARG 213.A NH2 GLU 217.A OE2 no hydrogen 2.521 N/A LEU 215.A N GLY 212.A O no hydrogen 3.167 N/A LEU 216.A N GLY 212.A O no hydrogen 3.432 N/A GLU 217.A N ARG 213.A O no hydrogen 2.852 N/A GLY 218.A N LEU 215.A O no hydrogen 3.094 N/A LYS 219.A N ALA 214.A O no hydrogen 3.025 N/A LYS 219.A NZ GLY 193.A O no hydrogen 3.480 N/A THR 221.A N GLU 224.A OE1 no hydrogen 3.059 N/A LYS 223.A N GLN 35.A OE1 no hydrogen 2.960 N/A LYS 223.A NZ GLN 35.A O no hydrogen 3.120 N/A GLU 224.A N THR 221.A OG1 no hydrogen 3.103 N/A ALA 225.A N THR 221.A O no hydrogen 2.923 N/A ILE 226.A N VAL 222.A O no hydrogen 2.936 N/A GLN 227.A N LYS 223.A O no hydrogen 2.974 N/A CYS 228.A N GLU 224.A O no hydrogen 2.961 N/A CYS 228.A SG ILE 195.A O no hydrogen 3.722 N/A TRP 229.A N ALA 225.A O no hydrogen 2.867 N/A GLN 230.A N ILE 226.A O no hydrogen 2.859 N/A ASN 231.A N GLN 227.A O no hydrogen 3.125 N/A ASN 231.A N CYS 228.A O no hydrogen 3.208 N/A