Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 5kri_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): SER 1.A N ASP 63.A OD2 no hydrogen 3.364 N/A LEU 4.A N SER 1.A O no hydrogen 3.086 N/A SER 5.A N LEU 2.A O no hydrogen 3.233 N/A GLN 10.A N THR 7.A OG1 no hydrogen 3.082 N/A MET 11.A N THR 7.A O no hydrogen 2.832 N/A VAL 12.A N ALA 8.A O no hydrogen 3.171 N/A SER 13.A N ASP 9.A O no hydrogen 3.183 N/A SER 13.A OG ASP 9.A O no hydrogen 3.103 N/A ALA 14.A N GLN 10.A O no hydrogen 2.875 N/A LEU 15.A N MET 11.A O no hydrogen 2.927 N/A LEU 16.A N VAL 12.A O no hydrogen 2.835 N/A ASP 17.A N SER 13.A O no hydrogen 2.947 N/A ALA 18.A N ALA 14.A O no hydrogen 3.212 N/A GLU 19.A N LEU 16.A O no hydrogen 3.213 N/A SER 25.A N ASN 101.A OD1 no hydrogen 2.924 N/A SER 32.A N SER 35.A OG no hydrogen 2.833 N/A SER 32.A OG SER 35.A OG no hydrogen 3.060 N/A SER 35.A N SER 32.A OG no hydrogen 3.038 N/A SER 35.A OG SER 32.A O no hydrogen 3.070 N/A SER 35.A OG SER 32.A OG no hydrogen 3.060 N/A MET 36.A N SER 32.A O no hydrogen 2.979 N/A MET 37.A N GLU 33.A O no hydrogen 3.060 N/A GLY 38.A N ALA 34.A O no hydrogen 3.064 N/A LEU 39.A N SER 35.A O no hydrogen 3.047 N/A LEU 40.A N MET 36.A O no hydrogen 3.163 N/A THR 41.A N MET 37.A O no hydrogen 2.995 N/A THR 41.A OG1 MET 37.A O no hydrogen 2.998 N/A THR 41.A OG1 GLY 38.A O no hydrogen 3.305 N/A ASN 42.A N GLY 38.A O no hydrogen 2.953 N/A LEU 43.A N LEU 39.A O no hydrogen 2.965 N/A ALA 44.A N LEU 40.A O no hydrogen 2.796 N/A ASP 45.A N THR 41.A O no hydrogen 3.083 N/A ARG 46.A N ASN 42.A O no hydrogen 3.286 N/A ARG 46.A NE ASN 42.A OD1 no hydrogen 3.086 N/A ARG 46.A NH1 TYR 24.A O no hydrogen 2.997 N/A ARG 46.A NH2 TYR 24.A O no hydrogen 2.946 N/A ARG 46.A NH2 ASN 42.A OD1 no hydrogen 2.746 N/A GLU 47.A N LEU 43.A O no hydrogen 2.982 N/A LEU 48.A N ALA 44.A O no hydrogen 2.934 N/A MET 51.A N GLU 47.A O no hydrogen 2.785 N/A ILE 52.A N LEU 48.A O no hydrogen 3.049 N/A ASN 53.A ND2 VAL 49.A O no hydrogen 2.821 N/A TRP 54.A N HIS 50.A O no hydrogen 2.879 N/A ALA 55.A N MET 51.A O no hydrogen 2.771 N/A LYS 56.A N ILE 52.A O no hydrogen 3.391 N/A LYS 56.A NZ ASN 53.A OD1 no hydrogen 3.201 N/A ARG 57.A N TRP 54.A O no hydrogen 3.040 N/A ARG 57.A NH2 ASP 17.A OD2 no hydrogen 2.434 N/A VAL 58.A N ALA 55.A O no hydrogen 2.969 N/A PHE 61.A N VAL 58.A O no hydrogen 2.965 N/A LEU 64.A N PHE 61.A O no hydrogen 3.266 N/A HIS 67.A ND1 ASP 68.A OD1 no hydrogen 3.135 N/A GLN 69.A N THR 65.A O no hydrogen 3.032 N/A GLN 69.A NE2 PHE 61.A O no hydrogen 2.604 N/A VAL 70.A N LEU 66.A O no hydrogen 2.953 N/A HIS 71.A N HIS 67.A O no hydrogen 3.092 N/A HIS 71.A NE2 GLY 151.A O no hydrogen 2.862 N/A HIS 71.A NE2 THR 154.A OG1 no hydrogen 2.640 N/A LEU 72.A N ASP 68.A O no hydrogen 2.891 N/A LEU 73.A N GLN 69.A O no hydrogen 3.104 N/A GLU 74.A N VAL 70.A O no hydrogen 2.800 N/A CYS 75.A N HIS 71.A O no hydrogen 3.051 N/A ALA 76.A N LEU 72.A O no hydrogen 3.155 N/A ILE 80.A N ALA 76.A O no hydrogen 2.874 N/A LEU 81.A N TRP 77.A O no hydrogen 2.996 N/A MET 82.A N LEU 78.A O no hydrogen 2.829 N/A ILE 83.A N GLU 79.A O no hydrogen 2.876 N/A GLY 84.A N ILE 80.A O no hydrogen 3.162 N/A LEU 85.A N LEU 81.A O no hydrogen 2.935 N/A VAL 86.A N MET 82.A O no hydrogen 2.762 N/A TRP 87.A N ILE 83.A O no hydrogen 2.861 N/A ARG 88.A N GLY 84.A O no hydrogen 3.018 N/A ARG 88.A NE LEU 97.A O no hydrogen 2.722 N/A ARG 88.A NH2 PHE 98.A O no hydrogen 3.116 N/A SER 89.A N VAL 86.A O no hydrogen 3.333 N/A SER 89.A OG LEU 85.A O no hydrogen 2.646 N/A MET 90.A N TRP 87.A O no hydrogen 3.177 N/A GLU 91.A N GLU 91.A OE1 no hydrogen 2.618 N/A HIS 92.A N SER 89.A O no hydrogen 3.159 N/A LYS 95.A N HIS 92.A O no hydrogen 3.010 N/A LEU 96.A N LEU 104.A O no hydrogen 2.615 N/A LEU 97.A N SER 89.A OG no hydrogen 2.760 N/A ALA 99.A N LEU 102.A O no hydrogen 3.368 N/A ASN 101.A ND2 SER 25.A O no hydrogen 2.883 N/A LEU 102.A N ALA 99.A O no hydrogen 2.779 N/A LEU 104.A N LEU 96.A O no hydrogen 2.995 N/A ASP 105.A N GLN 108.A OE1 no hydrogen 3.253 N/A GLN 108.A N ASP 105.A O no hydrogen 3.005 N/A GLN 108.A N ASP 105.A OD1 no hydrogen 3.052 N/A GLY 109.A N ARG 106.A O no hydrogen 2.831 N/A LYS 110.A N ASN 107.A O no hydrogen 3.373 N/A CYS 111.A SG PHE 31.A O no hydrogen 3.739 N/A CYS 111.A SG GLN 108.A O no hydrogen 3.559 N/A MET 115.A N VAL 112.A O no hydrogen 3.426 N/A PHE 119.A N MET 115.A O no hydrogen 2.960 N/A ASP 120.A N VAL 116.A O no hydrogen 2.928 N/A MET 121.A N GLU 117.A O no hydrogen 3.138 N/A LEU 122.A N ILE 118.A O no hydrogen 2.786 N/A LEU 123.A N PHE 119.A O no hydrogen 2.752 N/A ALA 124.A N ASP 120.A O no hydrogen 2.822 N/A THR 125.A N MET 121.A O no hydrogen 3.052 N/A THR 125.A OG1 MET 121.A O no hydrogen 2.968 N/A THR 125.A OG1 HIS 199.A ND1.A no hydrogen 2.990 N/A SER 126.A N LEU 122.A O no hydrogen 3.040 N/A SER 126.A OG VAL 86.A O no hydrogen 3.433 N/A SER 126.A OG SER 89.A O no hydrogen 3.144 N/A SER 127.A N LEU 123.A O no hydrogen 2.941 N/A ARG 128.A N ALA 124.A O no hydrogen 2.941 N/A PHE 129.A N THR 125.A O no hydrogen 2.857 N/A ARG 130.A N SER 126.A O no hydrogen 2.935 N/A ARG 130.A NE MET 90.A O no hydrogen 2.384 N/A ARG 130.A NH2 MET 90.A O no hydrogen 3.153 N/A MET 131.A N SER 127.A O no hydrogen 2.985 N/A MET 132.A N ARG 128.A O no hydrogen 3.005 N/A ASN 133.A N ARG 130.A O no hydrogen 3.083 N/A LEU 134.A N PHE 129.A O no hydrogen 3.012 N/A GLN 135.A N GLU 138.A OE1 no hydrogen 3.047 N/A GLU 137.A N GLU 137.A OE1 no hydrogen 2.541 N/A PHE 139.A N GLN 135.A O no hydrogen 2.901 N/A VAL 140.A N GLY 136.A O no hydrogen 3.178 N/A CYS 141.A SG GLU 137.A O no hydrogen 3.457 N/A LEU 142.A N GLU 138.A O no hydrogen 3.064 N/A LYS 143.A N PHE 139.A O no hydrogen 2.963 N/A LYS 143.A NZ GLU 19.A OE1 no hydrogen 2.639 N/A LYS 143.A NZ GLU 19.A OE2 no hydrogen 3.420 N/A SER 144.A N VAL 140.A O no hydrogen 3.302 N/A SER 144.A OG VAL 140.A O no hydrogen 3.008 N/A SER 144.A OG CYS 141.A O no hydrogen 3.015 N/A ILE 145.A N CYS 141.A O no hydrogen 3.060 N/A ILE 146.A N LEU 142.A O no hydrogen 3.007 N/A LEU 147.A N LYS 143.A O no hydrogen 3.170 N/A LEU 148.A N SER 144.A O no hydrogen 3.029 N/A ASN 149.A N ILE 145.A O no hydrogen 2.665 N/A SER 150.A N ILE 146.A O no hydrogen 3.014 N/A SER 150.A OG GLU 79.A OE1 no hydrogen 3.439 N/A SER 150.A OG GLU 79.A OE2 no hydrogen 2.662 N/A SER 150.A OG ILE 146.A O no hydrogen 3.133 N/A VAL 152.A N ASN 149.A O no hydrogen 2.918 N/A THR 154.A OG1 HIS 71.A NE2 no hydrogen 2.640 N/A THR 154.A OG1 GLY 151.A O no hydrogen 3.098 N/A LYS 158.A NZ PHE 155.A O no hydrogen 3.426 N/A HIS 160.A NE2 GLY 60.A O no hydrogen 3.078 N/A ILE 161.A N GLU 157.A O no hydrogen 3.297 N/A HIS 162.A N LYS 158.A O no hydrogen 2.632 N/A ARG 163.A N ASP 159.A O no hydrogen 2.697 N/A VAL 164.A N HIS 160.A O no hydrogen 2.771 N/A LEU 165.A N ILE 161.A O no hydrogen 2.782 N/A ASP 166.A N HIS 162.A O no hydrogen 2.933 N/A LYS 167.A N ARG 163.A O no hydrogen 3.101 N/A ILE 168.A N VAL 164.A O no hydrogen 2.925 N/A THR 169.A N LEU 165.A O no hydrogen 2.946 N/A THR 169.A OG1 LEU 165.A O no hydrogen 2.990 N/A ASP 170.A N ASP 166.A O no hydrogen 2.932 N/A THR 171.A N LYS 167.A O no hydrogen 2.989 N/A THR 171.A OG1 LYS 167.A O no hydrogen 2.847 N/A LEU 172.A N ILE 168.A O no hydrogen 2.866 N/A ILE 173.A N THR 169.A O no hydrogen 3.042 N/A HIS 174.A N ASP 170.A O no hydrogen 2.871 N/A LEU 175.A N THR 171.A O no hydrogen 2.956 N/A MET 176.A N LEU 172.A O no hydrogen 3.101 N/A ALA 177.A N ILE 173.A O no hydrogen 2.844 N/A LYS 178.A N HIS 174.A O no hydrogen 2.982 N/A LYS 178.A NZ ASP 9.A OD1 no hydrogen 2.555 N/A LYS 178.A NZ ASP 9.A OD2 no hydrogen 3.540 N/A ALA 179.A N LEU 175.A O no hydrogen 2.967 N/A GLY 180.A N ALA 177.A O no hydrogen 3.099 N/A LEU 181.A N MET 176.A O no hydrogen 3.186 N/A THR 182.A N GLN 185.A OE1 no hydrogen 2.991 N/A GLN 186.A N THR 182.A O no hydrogen 2.784 N/A GLN 186.A N LEU 183.A O no hydrogen 3.186 N/A GLN 186.A NE2 LEU 181.A O no hydrogen 2.844 N/A HIS 187.A N LEU 183.A O no hydrogen 3.316 N/A GLN 188.A N GLN 184.A O no hydrogen 3.094 N/A ARG 189.A N GLN 185.A O no hydrogen 2.977 N/A ARG 189.A NE GLU 138.A OE2 no hydrogen 2.753 N/A ARG 189.A NH1 MET 132.A O no hydrogen 2.925 N/A ARG 189.A NH2 MET 132.A O no hydrogen 3.073 N/A ARG 189.A NH2 GLU 138.A OE1 no hydrogen 2.688 N/A ARG 189.A NH2 GLU 138.A OE2 no hydrogen 3.398 N/A LEU 190.A N GLN 186.A O no hydrogen 2.922 N/A ALA 191.A N HIS 187.A O no hydrogen 3.082 N/A GLN 192.A N GLN 188.A O no hydrogen 2.980 N/A LEU 193.A N ARG 189.A O no hydrogen 2.955 N/A LEU 194.A N LEU 190.A O no hydrogen 3.161 N/A LEU 195.A N ALA 191.A O no hydrogen 3.013 N/A ILE 196.A N LEU 193.A O no hydrogen 3.208 N/A LEU 197.A N LEU 194.A O no hydrogen 3.127 N/A SER 198.A N LEU 195.A O no hydrogen 3.065 N/A ILE 200.A N ILE 196.A O no hydrogen 2.950 N/A ARG 201.A N LEU 197.A O no hydrogen 2.953 N/A ARG 201.A NH1 SER 150.A O no hydrogen 3.151 N/A ARG 201.A NH2 SER 150.A O no hydrogen 3.019 N/A HIS 202.A N SER 198.A O no hydrogen 3.116 N/A MET 203.A N HIS 199.A O no hydrogen 2.848 N/A SER 204.A N ILE 200.A O no hydrogen 2.975 N/A ASN 205.A N ARG 201.A O no hydrogen 3.068 N/A LYS 206.A N HIS 202.A O no hydrogen 3.144 N/A LYS 206.A NZ GLU 209.A OE1 no hydrogen 3.242 N/A GLY 207.A N MET 203.A O no hydrogen 2.894 N/A MET 208.A N SER 204.A O no hydrogen 2.829 N/A GLU 209.A N ASN 205.A O no hydrogen 3.199 N/A HIS 210.A N LYS 206.A O no hydrogen 3.055 N/A HIS 210.A NE2 GLU 113.A O no hydrogen 2.983 N/A LEU 211.A N GLY 207.A O no hydrogen 2.769 N/A TYR 212.A N MET 208.A O no hydrogen 2.763 N/A SER 213.A N GLU 209.A O no hydrogen 2.861 N/A SER 213.A OG GLU 209.A O no hydrogen 3.511 N/A SER 213.A OG HIS 210.A O no hydrogen 3.166 N/A MET 214.A N HIS 210.A O no hydrogen 3.380 N/A LYS 215.A N TYR 212.A O no hydrogen 3.236 N/A CYS 216.A N TYR 212.A O no hydrogen 3.136 N/A LYS 217.A N SER 213.A O no hydrogen 3.157 N/A VAL 219.A N LYS 217.A O no hydrogen 3.046 N/A SER 223.A OG ASP 45.A OD1 no hydrogen 2.435 N/A LEU 226.A N SER 223.A OG no hydrogen 3.300 N/A LEU 227.A N SER 223.A O no hydrogen 2.770 N/A GLU 228.A N ASP 224.A O no hydrogen 2.848 N/A GLU 228.A N LEU 225.A O no hydrogen 3.043 N/A MET 229.A N LEU 225.A O no hydrogen 2.931 N/A LEU 230.A N LEU 226.A O no hydrogen 2.954 N/A ASP 231.A N LEU 227.A O no hydrogen 2.978 N/A ALA 232.A N GLU 228.A O no hydrogen 3.237 N/A HIS 233.A N LEU 230.A O no hydrogen 3.157 N/A HIS 233.A NE2 GLU 74.A O no hydrogen 2.822 N/A ARG 234.A NE ASP 231.A OD1 no hydrogen 3.471 N/A