Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3u62_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): MET 1.A N HIS 30.A ND1 no hydrogen 2.954 N/A LYS 2.A N ASP 54.A OD1 no hydrogen 2.831 N/A PHE 3.A N SER 31.A O no hydrogen 2.836 N/A ILE 5.A N GLY 33.A O no hydrogen 3.118 N/A ILE 6.A N ASN 57.A O no hydrogen 2.822 N/A GLY 7.A N GLU 35.A O no hydrogen 3.367 N/A TYR 8.A N ILE 60.A O no hydrogen 2.867 N/A VAL 10.A N GLU 36.A OE2 no hydrogen 2.751 N/A ARG 11.A N GLU 36.A OE2 no hydrogen 2.898 N/A ARG 11.A NH1 GLU 36.A OE2 no hydrogen 3.174 N/A SER 13.A N VAL 10.A O no hydrogen 2.985 N/A SER 15.A N SER 13.A OG no hydrogen 3.127 N/A TYR 19.A N SER 15.A O no hydrogen 2.929 N/A ASN 20.A N PRO 16.A O no hydrogen 2.971 N/A ASN 20.A ND2 TYR 32.A O no hydrogen 2.875 N/A GLU 21.A N ARG 17.A O no hydrogen 3.030 N/A TYR 22.A N LEU 18.A O no hydrogen 2.932 N/A TYR 22.A OH ILE 238.A O no hydrogen 2.600 N/A PHE 23.A N TYR 19.A O no hydrogen 2.823 N/A LYS 24.A N ASN 20.A O no hydrogen 3.078 N/A ARG 25.A N GLU 21.A O no hydrogen 2.923 N/A ARG 25.A NE GLU 246.A OE1 no hydrogen 2.793 N/A ARG 25.A NH1 ARG 25.A O no hydrogen 2.909 N/A ALA 26.A N TYR 22.A O no hydrogen 2.953 N/A GLY 27.A N LYS 24.A O no hydrogen 3.172 N/A MET 28.A N PHE 23.A O no hydrogen 2.842 N/A SER 31.A N MET 1.A O no hydrogen 3.143 N/A TYR 32.A N ASN 20.A OD1 no hydrogen 2.932 N/A GLY 33.A N PHE 3.A O no hydrogen 2.792 N/A GLU 35.A N ILE 5.A O no hydrogen 2.929 N/A ILE 37.A N GLY 7.A O no hydrogen 2.975 N/A GLU 40.A N GLU 40.A OE1 no hydrogen 2.765 N/A SER 41.A N PRO 38.A O no hydrogen 2.904 N/A PHE 42.A N PRO 39.A O no hydrogen 3.316 N/A GLU 45.A N SER 41.A O no hydrogen 2.974 N/A ILE 46.A N PHE 42.A O no hydrogen 2.807 N/A ARG 47.A NE ASP 43.A O no hydrogen 3.001 N/A ARG 47.A NH2 ASP 43.A OD2 no hydrogen 3.028 N/A ARG 48.A NE GLU 45.A OE1 no hydrogen 3.346 N/A ARG 48.A NH1 GLU 35.A OE2 no hydrogen 3.363 N/A ARG 48.A NH1 GLU 52.A OE1 no hydrogen 3.032 N/A ARG 48.A NH2 GLU 35.A OE1 no hydrogen 2.783 N/A ILE 49.A N GLU 45.A O no hydrogen 3.336 N/A LEU 50.A N ILE 46.A O no hydrogen 2.940 N/A GLU 51.A N ARG 47.A O no hydrogen 3.317 N/A GLU 51.A N ARG 48.A O no hydrogen 3.195 N/A GLU 52.A N ARG 48.A O no hydrogen 2.957 N/A GLU 52.A N ILE 49.A O no hydrogen 3.288 N/A TYR 53.A N ILE 49.A O no hydrogen 3.071 N/A TYR 53.A OH GLU 35.A OE2 no hydrogen 2.564 N/A ASP 54.A N LYS 2.A O no hydrogen 2.911 N/A GLY 55.A N LYS 2.A O no hydrogen 3.373 N/A PHE 56.A N VAL 85.A O no hydrogen 3.014 N/A ASN 57.A N CYS 4.A O no hydrogen 2.831 N/A ASN 57.A ND2 TYR 32.A OH no hydrogen 2.661 N/A ALA 58.A N ASN 83.A O no hydrogen 2.999 N/A THR 59.A N ILE 6.A O no hydrogen 2.899 N/A ILE 60.A N THR 59.A OG1 no hydrogen 2.738 N/A HIS 62.A N THR 59.A O no hydrogen 2.909 N/A ARG 65.A NH2 PRO 61.A O no hydrogen 3.048 N/A VAL 66.A N HIS 62.A O no hydrogen 2.904 N/A MET 67.A N GLU 64.A O no hydrogen 3.220 N/A TYR 69.A N VAL 66.A O no hydrogen 2.998 N/A TYR 69.A OH ASP 43.A OD2 no hydrogen 2.589 N/A VAL 70.A N MET 67.A O no hydrogen 3.440 N/A GLU 71.A N GLY 88.A O no hydrogen 2.795 N/A SER 73.A N GLY 90.A O no hydrogen 2.824 N/A SER 73.A OG ASP 75.A OD1 no hydrogen 2.897 N/A SER 73.A OG GLY 90.A O no hydrogen 3.568 N/A ALA 76.A N SER 73.A OG no hydrogen 3.357 N/A GLN 77.A N SER 73.A O no hydrogen 2.898 N/A ARG 78.A N GLU 74.A O no hydrogen 3.062 N/A ILE 79.A N ASP 75.A O no hydrogen 2.951 N/A LYS 80.A N GLN 77.A O no hydrogen 3.221 N/A LYS 80.A NZ ALA 147.A O no hydrogen 2.925 N/A LYS 80.A NZ ASP 149.A OD2 no hydrogen 2.805 N/A ALA 81.A N ALA 76.A O no hydrogen 3.216 N/A VAL 82.A N LYS 63.A O no hydrogen 2.837 N/A ASN 83.A N TYR 91.A O no hydrogen 3.084 N/A ASN 83.A ND2 THR 93.A OG1 no hydrogen 2.947 N/A CYS 84.A N TYR 91.A O no hydrogen 3.225 N/A CYS 84.A SG ASN 232.A OD1 no hydrogen 3.463 N/A VAL 85.A N PHE 56.A O no hydrogen 2.776 N/A PHE 86.A N LYS 89.A O no hydrogen 2.920 N/A ARG 87.A N ASP 54.A O no hydrogen 2.848 N/A ARG 87.A NE ASP 54.A OD2 no hydrogen 3.392 N/A ARG 87.A NH2 ASP 54.A OD2 no hydrogen 2.797 N/A LYS 89.A N PHE 86.A O no hydrogen 3.081 N/A LYS 89.A NZ GLU 71.A OE2 no hydrogen 2.987 N/A GLY 90.A N GLU 71.A O no hydrogen 2.844 N/A TYR 91.A N CYS 84.A O no hydrogen 2.746 N/A THR 93.A N ASN 83.A OD1 no hydrogen 2.711 N/A THR 93.A OG1 ASN 232.A OD1 no hydrogen 2.739 N/A TRP 95.A NE1 ASP 75.A OD2 no hydrogen 2.822 N/A GLY 97.A N THR 93.A O no hydrogen 2.936 N/A VAL 98.A N ASP 94.A O no hydrogen 2.994 N/A VAL 99.A N TRP 95.A O no hydrogen 2.987 N/A LYS 100.A N VAL 96.A O no hydrogen 2.974 N/A LYS 100.A NZ GLU 103.A OE2 no hydrogen 2.301 N/A SER 101.A N GLY 97.A O no hydrogen 2.993 N/A SER 101.A OG GLY 97.A O no hydrogen 3.313 N/A SER 101.A OG VAL 98.A O no hydrogen 2.654 N/A SER 101.A OG TYR 197.A OH no hydrogen 2.661 N/A LEU 102.A N VAL 98.A O no hydrogen 3.232 N/A LEU 102.A N VAL 99.A O no hydrogen 3.159 N/A GLU 103.A N LYS 100.A O no hydrogen 3.290 N/A VAL 105.A N LEU 102.A O no hydrogen 3.080 N/A VAL 111.A N ASP 134.A O no hydrogen 2.888 N/A VAL 112.A N SER 169.A O no hydrogen 2.840 N/A VAL 113.A N TRP 136.A O no hydrogen 2.817 N/A VAL 114.A N PHE 171.A O no hydrogen 2.737 N/A GLY 115.A N VAL 138.A O no hydrogen 2.793 N/A ARG 121.A N GLY 117.A O no hydrogen 2.994 N/A ARG 121.A NE ILE 79.A O no hydrogen 2.720 N/A ARG 121.A NH2 LYS 80.A O no hydrogen 2.892 N/A ALA 122.A N GLY 118.A O no hydrogen 3.080 N/A VAL 123.A N ALA 119.A O no hydrogen 3.013 N/A ILE 124.A N ALA 120.A O no hydrogen 2.809 N/A TYR 125.A N ARG 121.A O no hydrogen 3.029 N/A ALA 126.A N ALA 122.A O no hydrogen 2.956 N/A LEU 127.A N VAL 123.A O no hydrogen 2.866 N/A LEU 128.A N ILE 124.A O no hydrogen 2.925 N/A GLN 129.A N TYR 125.A O no hydrogen 2.976 N/A MET 130.A N ALA 126.A O no hydrogen 3.026 N/A MET 130.A N LEU 127.A O no hydrogen 3.042 N/A GLY 131.A N LEU 128.A O no hydrogen 3.207 N/A VAL 132.A N LEU 127.A O no hydrogen 2.972 N/A LYS 133.A N GLU 109.A OE1 no hydrogen 3.429 N/A LYS 133.A N GLU 109.A OE2 no hydrogen 3.010 N/A ASP 134.A N GLU 109.A OE2 no hydrogen 2.817 N/A TRP 136.A N VAL 111.A O no hydrogen 2.753 N/A VAL 137.A N LYS 153.A O no hydrogen 2.700 N/A VAL 138.A N VAL 113.A O no hydrogen 2.830 N/A ASN 139.A N PHE 155.A O no hydrogen 3.056 N/A ASN 139.A ND2 THR 141.A O no hydrogen 2.788 N/A ALA 145.A N THR 141.A O no hydrogen 3.286 N/A LYS 146.A N ILE 142.A O no hydrogen 3.052 N/A ALA 147.A N GLU 143.A O no hydrogen 3.208 N/A ALA 147.A N ARG 144.A O no hydrogen 3.256 N/A LEU 148.A N ALA 145.A O no hydrogen 3.295 N/A VAL 152.A N PHE 150.A O no hydrogen 2.818 N/A LYS 153.A N ILE 135.A O no hydrogen 3.068 N/A PHE 155.A N VAL 137.A O no hydrogen 2.735 N/A SER 156.A N GLN 159.A OE1 no hydrogen 2.977 N/A SER 156.A OG ASP 158.A OD1 no hydrogen 2.640 N/A SER 156.A OG GLN 159.A OE1 no hydrogen 3.243 N/A GLN 159.A N SER 156.A O no hydrogen 2.902 N/A LEU 160.A N LEU 157.A O no hydrogen 3.169 N/A VAL 163.A N GLN 159.A O no hydrogen 2.979 N/A VAL 164.A N LEU 160.A O no hydrogen 2.959 N/A LYS 165.A N ASP 161.A O no hydrogen 3.443 N/A LYS 165.A NZ ASP 188.A O no hydrogen 3.551 N/A LYS 165.A NZ ASP 188.A OD1 no hydrogen 3.068 N/A LYS 165.A NZ ASP 188.A OD2 no hydrogen 3.050 N/A LYS 166.A N VAL 163.A O no hydrogen 3.167 N/A ALA 167.A N VAL 164.A O no hydrogen 2.994 N/A LYS 168.A N PRO 110.A O no hydrogen 2.877 N/A SER 169.A N PRO 110.A O no hydrogen 3.227 N/A SER 169.A OG LYS 108.A O no hydrogen 2.731 N/A LEU 170.A N LEU 195.A O no hydrogen 2.887 N/A PHE 171.A N VAL 112.A O no hydrogen 2.775 N/A ASN 172.A N TYR 197.A O no hydrogen 2.764 N/A ASN 172.A ND2 THR 174.A OG1 no hydrogen 2.671 N/A THR 173.A N VAL 114.A O no hydrogen 2.997 N/A THR 173.A OG1 VAL 114.A O no hydrogen 2.626 N/A VAL 176.A N THR 174.A OG1 no hydrogen 3.110 N/A GLY 177.A N GLU 181.A OE1 no hydrogen 2.950 N/A MET 178.A N SER 175.A O no hydrogen 3.104 N/A LYS 179.A N GLU 181.A OE1 no hydrogen 2.897 N/A GLY 180.A N GLY 177.A O no hydrogen 3.181 N/A GLU 181.A N GLU 181.A OE1 no hydrogen 2.830 N/A VAL 185.A N LEU 183.A O no hydrogen 2.780 N/A SER 186.A N ASP 161.A OD2 no hydrogen 2.899 N/A SER 186.A OG ASP 161.A OD2 no hydrogen 2.623 N/A SER 186.A OG SER 189.A OG no hydrogen 2.964 N/A SER 189.A N SER 186.A OG no hydrogen 3.199 N/A SER 189.A OG ASP 161.A O no hydrogen 2.755 N/A SER 189.A OG ASP 161.A OD2 no hydrogen 2.741 N/A SER 189.A OG SER 186.A OG no hydrogen 2.964 N/A LEU 190.A N SER 186.A O no hydrogen 3.019 N/A LYS 191.A N ASP 187.A O no hydrogen 2.808 N/A LYS 191.A NZ ASP 188.A OD2 no hydrogen 3.358 N/A LEU 193.A N LEU 190.A O no hydrogen 3.050 N/A SER 194.A N LYS 168.A O no hydrogen 2.736 N/A SER 194.A OG LYS 168.A O no hydrogen 3.084 N/A LEU 195.A N LYS 168.A O no hydrogen 3.350 N/A VAL 196.A N HIS 217.A O no hydrogen 2.889 N/A TYR 197.A N LEU 170.A O no hydrogen 2.742 N/A TYR 197.A OH SER 101.A OG no hydrogen 2.661 N/A ASP 198.A N ILE 219.A O no hydrogen 2.884 N/A VAL 199.A N ASN 172.A O no hydrogen 3.008 N/A ILE 200.A N ASP 198.A OD1 no hydrogen 3.076 N/A THR 204.A OG1 ASP 198.A OD2 no hydrogen 2.674 N/A VAL 207.A N THR 204.A OG1 no hydrogen 3.308 N/A VAL 208.A N THR 204.A O no hydrogen 2.952 N/A LYS 209.A N PRO 205.A O no hydrogen 2.855 N/A ALA 210.A N LEU 206.A O no hydrogen 2.961 N/A ARG 211.A N VAL 207.A O no hydrogen 3.070 N/A ARG 211.A NH1 ASP 203.A OD1 no hydrogen 3.175 N/A ARG 211.A NH1 ASP 203.A OD2 no hydrogen 2.976 N/A ARG 211.A NH2 ASP 203.A OD1 no hydrogen 3.241 N/A LYS 212.A N VAL 208.A O no hydrogen 3.108 N/A LEU 213.A N LYS 209.A O no hydrogen 3.084 N/A LEU 213.A N ALA 210.A O no hydrogen 3.301 N/A GLY 214.A N ARG 211.A O no hydrogen 3.216 N/A VAL 215.A N ALA 210.A O no hydrogen 3.142 N/A HIS 217.A N SER 194.A O no hydrogen 3.022 N/A ILE 219.A N VAL 196.A O no hydrogen 2.894 N/A LYS 220.A NZ ASP 203.A OD1 no hydrogen 3.194 N/A GLY 221.A N ILE 200.A O no hydrogen 2.904 N/A ASN 222.A ND2 VAL 251.A O no hydrogen 3.110 N/A PHE 225.A N GLY 221.A O no hydrogen 2.951 N/A TYR 226.A N ASN 222.A O no hydrogen 2.955 N/A TYR 227.A N LEU 223.A O no hydrogen 2.982 N/A GLN 228.A N MET 224.A O no hydrogen 2.958 N/A GLN 228.A NE2 PHE 225.A O no hydrogen 3.128 N/A ALA 229.A N PHE 225.A O no hydrogen 3.027 N/A MET 230.A N TYR 226.A O no hydrogen 3.116 N/A GLU 231.A N TYR 227.A O no hydrogen 3.112 N/A ASN 232.A N GLN 228.A O no hydrogen 2.853 N/A ASN 232.A ND2 TYR 19.A OH no hydrogen 3.046 N/A ASN 232.A ND2 GLN 228.A OE1 no hydrogen 2.966 N/A LEU 233.A N ALA 229.A O no hydrogen 3.064 N/A LYS 234.A N MET 230.A O no hydrogen 3.102 N/A ILE 235.A N GLU 231.A O no hydrogen 2.958 N/A TRP 236.A N ASN 232.A O no hydrogen 2.915 N/A TRP 236.A NE1 VAL 85.A O no hydrogen 3.059 N/A GLY 237.A N LYS 234.A O no hydrogen 3.139 N/A ILE 238.A N LEU 233.A O no hydrogen 2.901 N/A ASP 240.A N TYR 22.A OH no hydrogen 2.706 N/A VAL 243.A N ASP 240.A OD1 no hydrogen 3.177 N/A PHE 244.A N ASP 240.A O no hydrogen 2.840 N/A LYS 245.A N GLU 241.A O no hydrogen 3.036 N/A GLU 246.A N GLU 242.A O no hydrogen 3.106 N/A VAL 247.A N VAL 243.A O no hydrogen 2.929 N/A PHE 248.A N PHE 244.A O no hydrogen 2.774 N/A GLY 249.A N LYS 245.A O no hydrogen 3.142 N/A GLU 250.A N VAL 247.A O no hydrogen 3.473 N/A VAL 251.A N PHE 248.A O no hydrogen 3.150 N/A LEU 252.A N GLY 249.A O no hydrogen 3.106 N/A