Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3up0_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): TYR 2.A OH ASP 195.A OD1 no hydrogen 2.709 N/A TYR 2.A OH HIS 198.A NE2 no hydrogen 3.265 N/A ASN 5.A N GLU 8.A OE1 no hydrogen 2.846 N/A GLU 8.A N ASN 5.A OD1 no hydrogen 2.771 N/A LEU 9.A N ASN 5.A O no hydrogen 2.983 N/A GLN 10.A N ALA 6.A O no hydrogen 2.811 N/A ALA 11.A N ALA 7.A O no hydrogen 3.010 N/A LEU 12.A N GLU 8.A O no hydrogen 3.066 N/A ASP 13.A N LEU 9.A O no hydrogen 3.035 N/A LEU 14.A N GLN 10.A O no hydrogen 2.976 N/A ILE 15.A N ALA 11.A O no hydrogen 3.125 N/A GLN 16.A N LEU 12.A O no hydrogen 2.965 N/A GLU 17.A N ASP 13.A O no hydrogen 2.958 N/A ALA 18.A N LEU 14.A O no hydrogen 3.031 N/A PHE 19.A N ILE 15.A O no hydrogen 3.198 N/A PHE 19.A N GLN 16.A O no hydrogen 3.233 N/A LYS 20.A N GLU 17.A O no hydrogen 3.086 N/A LYS 20.A NZ GLU 17.A OE1 no hydrogen 2.793 N/A MET 22.A N PHE 19.A O no hydrogen 2.916 N/A ASP 24.A N GLY 21.A O no hydrogen 3.296 N/A ARG 30.A NH1 GLU 232.A OE2 no hydrogen 3.266 N/A GLN 31.A N GLN 31.A OE1 no hydrogen 2.686 N/A GLN 31.A NE2 ASP 50.A OD2 no hydrogen 2.753 N/A THR 33.A N GLY 29.A O no hydrogen 2.926 N/A THR 33.A OG1 GLY 29.A O no hydrogen 3.048 N/A SER 34.A N ARG 30.A O no hydrogen 3.032 N/A SER 34.A OG ARG 30.A O no hydrogen 3.293 N/A SER 34.A OG ASP 44.A OD1 no hydrogen 2.685 N/A SER 34.A OG ASN 47.A OD1 no hydrogen 3.038 N/A PHE 35.A N GLN 31.A O no hydrogen 3.056 N/A LEU 36.A N ALA 32.A O no hydrogen 3.065 N/A LYS 37.A N SER 34.A O no hydrogen 3.380 N/A LYS 37.A NZ ASP 44.A OD1 no hydrogen 2.733 N/A LYS 37.A NZ ASP 44.A OD2 no hydrogen 3.168 N/A LYS 40.A NZ PHE 35.A O no hydrogen 3.087 N/A LYS 40.A NZ LYS 37.A O no hydrogen 2.606 N/A LYS 40.A NZ GLU 111.A O no hydrogen 2.782 N/A SER 41.A N ASP 44.A OD2 no hydrogen 2.834 N/A SER 41.A OG ASP 44.A OD2 no hydrogen 3.203 N/A ASP 44.A N SER 41.A OG no hydrogen 3.249 N/A ILE 45.A N SER 41.A O no hydrogen 3.132 N/A MET 46.A N PRO 42.A O no hydrogen 3.047 N/A ASN 47.A N ALA 43.A O no hydrogen 2.931 N/A ASN 47.A ND2 GLU 230.A O no hydrogen 3.534 N/A ILE 48.A N ASP 44.A O no hydrogen 2.995 N/A MET 49.A N ILE 45.A O no hydrogen 2.933 N/A ASP 50.A N MET 46.A O no hydrogen 3.037 N/A VAL 51.A N ILE 48.A O no hydrogen 3.095 N/A MET 53.A N MET 49.A O no hydrogen 2.870 N/A ARG 54.A N ASP 50.A O no hydrogen 3.009 N/A ARG 54.A NE ASP 50.A OD1 no hydrogen 3.057 N/A ARG 54.A NE ASP 50.A OD2 no hydrogen 2.974 N/A ARG 55.A N VAL 51.A O no hydrogen 3.082 N/A ARG 55.A NH1 MET 22.A O no hydrogen 3.071 N/A ARG 55.A NH1 ASP 24.A O no hydrogen 2.715 N/A ARG 55.A NH2 ASP 24.A O no hydrogen 3.107 N/A ARG 55.A NH2 PRO 25.A O no hydrogen 3.036 N/A PHE 56.A N THR 52.A O no hydrogen 2.909 N/A VAL 57.A N MET 53.A O no hydrogen 3.157 N/A LYS 58.A N ARG 54.A O no hydrogen 3.087 N/A MET 59.A N ARG 55.A O no hydrogen 2.882 N/A ALA 60.A N PHE 56.A O no hydrogen 3.029 N/A LYS 61.A N VAL 57.A O no hydrogen 3.217 N/A ARG 62.A N MET 59.A O no hydrogen 2.942 N/A ARG 62.A NE ALA 18.A O no hydrogen 3.196 N/A ARG 62.A NH2 GLU 17.A O no hydrogen 3.024 N/A LEU 63.A N ALA 60.A O no hydrogen 3.022 N/A ASN 67.A N LEU 63.A O no hydrogen 3.203 N/A ASN 67.A ND2 LYS 61.A O no hydrogen 2.901 N/A ASP 68.A N PRO 64.A O no hydrogen 3.219 N/A ASP 68.A N ALA 65.A O no hydrogen 3.407 N/A LEU 69.A N PHE 66.A O no hydrogen 3.106 N/A SER 70.A N ASP 170.A OD1 no hydrogen 2.957 N/A SER 70.A OG ASP 170.A OD2 no hydrogen 2.574 N/A GLY 73.A N SER 70.A OG no hydrogen 3.007 N/A LYS 74.A N SER 70.A O no hydrogen 2.974 N/A LYS 74.A NZ ASN 67.A OD1 no hydrogen 3.276 N/A PHE 75.A N GLN 71.A O no hydrogen 3.042 N/A ALA 76.A N ASP 72.A O no hydrogen 2.939 N/A LEU 77.A N GLY 73.A O no hydrogen 2.961 N/A LEU 78.A N LYS 74.A O no hydrogen 3.058 N/A LYS 79.A N PHE 75.A O no hydrogen 2.872 N/A LYS 79.A NZ GLU 237.A O no hydrogen 3.066 N/A GLY 80.A N ALA 76.A O no hydrogen 2.989 N/A GLY 81.A N LEU 77.A O no hydrogen 2.828 N/A MET 82.A N LEU 78.A O no hydrogen 3.093 N/A MET 85.A N GLY 81.A O no hydrogen 2.906 N/A LEU 86.A N MET 82.A O no hydrogen 2.898 N/A THR 87.A N ILE 83.A O no hydrogen 3.013 N/A THR 87.A OG1 ILE 83.A O no hydrogen 2.892 N/A VAL 88.A N GLU 84.A O no hydrogen 3.042 N/A ARG 89.A N MET 85.A O no hydrogen 2.961 N/A ARG 89.A NH1 ASN 23.A OD1 no hydrogen 2.960 N/A ARG 89.A NH2 ASN 23.A OD1 no hydrogen 2.920 N/A GLY 90.A N LEU 86.A O no hydrogen 2.843 N/A VAL 91.A N THR 87.A O no hydrogen 2.998 N/A ARG 92.A N VAL 88.A O no hydrogen 3.095 N/A ARG 92.A NE ASP 147.A OD1 no hydrogen 2.663 N/A ARG 92.A NH1 ARG 92.A O no hydrogen 2.986 N/A ARG 92.A NH2 ASP 147.A OD1 no hydrogen 3.281 N/A ARG 93.A N ARG 89.A O no hydrogen 3.025 N/A ARG 93.A NE THR 102.A O no hydrogen 2.821 N/A ARG 93.A NH2 THR 102.A OG1 no hydrogen 2.999 N/A PHE 94.A N VAL 91.A O no hydrogen 3.459 N/A ASP 95.A N SER 100.A O no hydrogen 2.977 N/A SER 97.A OG ASP 95.A OD1 no hydrogen 2.519 N/A SER 98.A N ASP 95.A OD1 no hydrogen 3.102 N/A SER 98.A OG SER 100.A OG no hydrogen 3.136 N/A SER 100.A N ASP 95.A O no hydrogen 3.171 N/A SER 100.A OG SER 98.A OG no hydrogen 3.136 N/A SER 100.A OG GLU 111.A OE2 no hydrogen 2.541 N/A TRP 101.A N VAL 112.A O no hydrogen 2.814 N/A THR 102.A N ARG 93.A O no hydrogen 3.126 N/A LEU 106.A N THR 103.A O no hydrogen 3.282 N/A VAL 112.A N TRP 101.A O no hydrogen 2.881 N/A ILE 114.A N GLY 99.A O no hydrogen 2.908 N/A ASN 115.A N SER 113.A OG no hydrogen 2.937 N/A MET 116.A N SER 113.A O no hydrogen 2.952 N/A PHE 117.A N ILE 114.A O no hydrogen 3.223 N/A ASP 118.A N ASN 115.A O no hydrogen 2.946 N/A GLN 119.A N MET 116.A O no hydrogen 3.208 N/A GLN 119.A NE2 LYS 40.A O no hydrogen 3.080 N/A LEU 120.A N PHE 117.A O no hydrogen 3.058 N/A ASN 121.A N LEU 221.A O no hydrogen 2.824 N/A VAL 124.A N ASN 121.A O no hydrogen 3.034 N/A ARG 125.A N ASN 121.A O no hydrogen 2.866 N/A ARG 125.A NH1 LEU 120.A O no hydrogen 2.866 N/A GLN 128.A N VAL 124.A O no hydrogen 3.036 N/A GLN 128.A NE2 ILE 214.A O no hydrogen 3.626 N/A GLN 128.A NE2 SER 217.A OG no hydrogen 2.928 N/A GLN 128.A NE2 SER 218.A OG no hydrogen 2.949 N/A LYS 129.A N ARG 125.A O no hydrogen 2.977 N/A LYS 129.A NZ ASN 115.A OD1 no hydrogen 2.936 N/A LYS 129.A NZ ASP 118.A OD1 no hydrogen 2.878 N/A LYS 129.A NZ ASP 118.A OD2 no hydrogen 3.390 N/A MET 130.A N SER 126.A O no hydrogen 3.018 N/A ARG 131.A N GLU 127.A O no hydrogen 2.917 N/A ARG 131.A NE GLU 213.A OE2 no hydrogen 2.798 N/A ARG 131.A NH1 GLN 128.A OE1 no hydrogen 2.823 N/A ARG 131.A NH2 GLU 213.A OE2 no hydrogen 3.520 N/A PHE 132.A N GLN 128.A O no hydrogen 2.996 N/A LEU 133.A N LYS 129.A O no hydrogen 3.144 N/A GLN 134.A N MET 130.A O no hydrogen 2.918 N/A PHE 135.A N ARG 131.A O no hydrogen 2.994 N/A PHE 136.A N PHE 132.A O no hydrogen 2.868 N/A LYS 137.A N LEU 133.A O no hydrogen 3.022 N/A ILE 138.A N PHE 135.A O no hydrogen 3.173 N/A PHE 139.A N PHE 136.A O no hydrogen 3.247 N/A ASP 142.A N HIS 140.A ND1 no hydrogen 2.949 N/A ILE 143.A N HIS 140.A O no hydrogen 2.979 N/A ARG 144.A N HIS 140.A O no hydrogen 3.043 N/A SER 145.A OG GLU 141.A O no hydrogen 2.954 N/A ASN 146.A N ILE 143.A O no hydrogen 3.182 N/A ASN 146.A ND2 TYR 188.A OH no hydrogen 3.038 N/A VAL 149.A N ASN 146.A OD1 no hydrogen 3.087 N/A ILE 150.A N ASN 146.A O no hydrogen 3.035 N/A SER 151.A N ASP 147.A O no hydrogen 2.890 N/A SER 151.A OG ASP 147.A O no hydrogen 2.811 N/A MET 152.A N LEU 148.A O no hydrogen 2.925 N/A ILE 153.A N VAL 149.A O no hydrogen 2.896 N/A MET 154.A N ILE 150.A O no hydrogen 2.938 N/A LEU 155.A N SER 151.A O no hydrogen 3.014 N/A ILE 156.A N MET 152.A O no hydrogen 2.876 N/A VAL 157.A N ILE 153.A O no hydrogen 2.931 N/A LEU 158.A N MET 154.A O no hydrogen 2.940 N/A PHE 159.A N LEU 155.A O no hydrogen 2.887 N/A SER 160.A OG ILE 156.A O no hydrogen 2.840 N/A SER 160.A OG VAL 157.A O no hydrogen 3.177 N/A ILE 165.A N ARG 162.A O no hydrogen 3.101 N/A ASP 170.A N ASP 167.A OD2 no hydrogen 2.937 N/A ARG 171.A N ASP 167.A O no hydrogen 2.994 N/A ARG 171.A NH1 ARG 162.A O no hydrogen 2.843 N/A ARG 171.A NH1 ILE 165.A O no hydrogen 2.747 N/A ARG 172.A N PRO 168.A O no hydrogen 3.088 N/A ILE 173.A N GLU 169.A O no hydrogen 2.967 N/A ILE 174.A N ASP 170.A O no hydrogen 2.873 N/A ALA 175.A N ARG 171.A O no hydrogen 3.048 N/A ARG 176.A N ARG 172.A O no hydrogen 2.999 N/A HIS 177.A N ILE 173.A O no hydrogen 2.971 N/A HIS 178.A N ILE 174.A O no hydrogen 2.938 N/A GLU 179.A N ALA 175.A O no hydrogen 3.264 N/A GLN 180.A N ARG 176.A O no hydrogen 2.930 N/A PHE 181.A N HIS 177.A O no hydrogen 2.926 N/A SER 182.A N HIS 178.A O no hydrogen 3.150 N/A SER 182.A OG HIS 178.A O no hydrogen 2.807 N/A ALA 183.A N GLU 179.A O no hydrogen 2.885 N/A LEU 184.A N GLN 180.A O no hydrogen 2.908 N/A LEU 185.A N PHE 181.A O no hydrogen 2.974 N/A ASN 186.A N SER 182.A O no hydrogen 3.111 N/A ASN 186.A ND2 GLU 190.A OE2 no hydrogen 3.109 N/A ARG 187.A N ALA 183.A O no hydrogen 2.917 N/A ARG 187.A NE GLU 8.A OE2 no hydrogen 2.912 N/A ARG 187.A NH1 TYR 2.A O no hydrogen 3.141 N/A ARG 187.A NH1 GLN 3.A O no hydrogen 2.859 N/A ARG 187.A NH1 GLU 8.A OE1 no hydrogen 3.033 N/A ARG 187.A NH2 TYR 2.A O no hydrogen 2.841 N/A ARG 187.A NH2 GLU 190.A OE1 no hydrogen 3.155 N/A TYR 188.A N LEU 184.A O no hydrogen 2.809 N/A LEU 189.A N LEU 185.A O no hydrogen 2.975 N/A GLU 190.A N ASN 186.A O no hydrogen 2.874 N/A SER 191.A N ARG 187.A O no hydrogen 2.871 N/A SER 191.A OG TYR 188.A O no hydrogen 2.610 N/A LEU 192.A N TYR 188.A O no hydrogen 3.221 N/A LEU 192.A N LEU 189.A O no hydrogen 3.218 N/A TYR 193.A N LEU 189.A O no hydrogen 2.886 N/A GLY 194.A N GLU 190.A O no hydrogen 2.800 N/A ASP 196.A N TYR 193.A O no hydrogen 3.249 N/A ALA 197.A N GLY 194.A O no hydrogen 2.908 N/A HIS 198.A N ASP 195.A O no hydrogen 3.120 N/A ASN 201.A N ALA 197.A O no hydrogen 2.951 N/A GLU 202.A N HIS 198.A O no hydrogen 3.041 N/A GLN 203.A N LEU 200.A O no hydrogen 3.033 N/A LEU 204.A N ASN 201.A O no hydrogen 3.171 N/A ALA 207.A N GLN 203.A O no hydrogen 3.015 N/A LEU 208.A N LEU 204.A O no hydrogen 2.992 N/A ARG 209.A N PRO 205.A O no hydrogen 3.063 N/A MET 210.A N THR 206.A O no hydrogen 3.051 N/A LEU 211.A N ALA 207.A O no hydrogen 2.949 N/A ARG 212.A N LEU 208.A O no hydrogen 3.021 N/A ARG 212.A NE GLU 84.A OE2 no hydrogen 2.766 N/A GLU 213.A N ARG 209.A O no hydrogen 3.044 N/A ILE 214.A N MET 210.A O no hydrogen 3.012 N/A SER 215.A N LEU 211.A O no hydrogen 2.931 N/A ALA 216.A N ARG 212.A O no hydrogen 2.889 N/A SER 217.A N ILE 214.A O no hydrogen 3.226 N/A SER 217.A OG GLU 213.A O no hydrogen 2.709 N/A SER 217.A OG ILE 214.A O no hydrogen 3.266 N/A SER 218.A N SER 215.A O no hydrogen 3.480 N/A SER 218.A OG ILE 214.A O no hydrogen 2.655 N/A LEU 221.A N SER 218.A O no hydrogen 3.057 N/A LEU 223.A N MET 220.A O no hydrogen 3.092 N/A GLY 224.A N VAL 241.A O no hydrogen 2.947 N/A THR 225.A N PHE 222.A O no hydrogen 3.095 N/A THR 225.A OG1 PHE 222.A O no hydrogen 2.847 N/A SER 229.A N ASN 227.A OD1 no hydrogen 3.055 N/A SER 229.A OG ASN 227.A OD1 no hydrogen 2.676 N/A GLU 230.A N ASN 227.A O no hydrogen 2.795 N/A ALA 231.A N THR 228.A O no hydrogen 3.271 N/A ARG 236.A NE ALA 231.A O no hydrogen 2.958 N/A ARG 236.A NE GLU 232.A O no hydrogen 3.329 N/A ARG 236.A NH2 ALA 231.A O no hydrogen 2.808 N/A GLU 237.A N LEU 234.A O no hydrogen 2.997 N/A PHE 238.A N PRO 235.A O no hydrogen 3.080 N/A PHE 239.A N PRO 235.A O no hydrogen 2.914 N/A