Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3qkc_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): THR 2.A N GLN 5.A OE1 no hydrogen 3.063 N/A GLN 5.A N THR 2.A OG1 no hydrogen 3.143 N/A THR 6.A N THR 2.A O no hydrogen 2.965 N/A THR 6.A OG1 THR 2.A O no hydrogen 3.374 N/A TYR 7.A N ARG 3.A O no hydrogen 2.806 N/A TYR 7.A OH GLU 56.A OE1 no hydrogen 2.526 N/A ARG 8.A N THR 4.A O no hydrogen 2.949 N/A ARG 8.A NE GLU 12.A OE1 no hydrogen 2.793 N/A ARG 8.A NH2 GLU 12.A OE1 no hydrogen 3.175 N/A ALA 9.A N GLN 5.A O no hydrogen 2.779 N/A THR 10.A N THR 6.A O no hydrogen 2.864 N/A THR 10.A OG1 THR 6.A O no hydrogen 3.005 N/A ILE 11.A N TYR 7.A O no hydrogen 3.342 N/A GLU 12.A N ARG 8.A O no hydrogen 3.021 N/A SER 13.A N ALA 9.A O no hydrogen 2.888 N/A ASP 14.A N THR 10.A O no hydrogen 2.809 N/A ILE 15.A N ILE 11.A O no hydrogen 2.865 N/A GLU 16.A N GLU 12.A O no hydrogen 3.007 N/A SER 17.A N SER 13.A O no hydrogen 3.052 N/A TYR 18.A N ASP 14.A O no hydrogen 3.099 N/A LEU 19.A N ILE 15.A O no hydrogen 2.937 N/A LYS 20.A N GLU 16.A O no hydrogen 2.749 N/A LYS 21.A N SER 17.A O no hydrogen 3.175 N/A ALA 22.A N LEU 19.A O no hydrogen 3.018 N/A ILE 23.A N LEU 19.A O no hydrogen 3.177 N/A GLU 33.A N SER 30.A O no hydrogen 3.359 N/A MET 35.A N VAL 31.A O no hydrogen 2.838 N/A HIS 36.A N PHE 32.A O no hydrogen 2.763 N/A HIS 36.A ND1 ILE 23.A O no hydrogen 2.581 N/A HIS 37.A N GLU 33.A O no hydrogen 2.893 N/A LEU 38.A N PRO 34.A O no hydrogen 2.794 N/A THR 39.A N MET 35.A O no hydrogen 3.213 N/A THR 39.A OG1 MET 35.A O no hydrogen 2.611 N/A PHE 40.A N HIS 36.A O no hydrogen 3.335 N/A PHE 40.A N HIS 37.A O no hydrogen 3.244 N/A ALA 41.A N HIS 37.A O no hydrogen 2.920 N/A ALA 42.A N LEU 38.A O no hydrogen 3.114 N/A SER 46.A OG HIS 182.A NE2 no hydrogen 2.708 N/A ALA 47.A N THR 45.A OG1 no hydrogen 3.085 N/A SER 48.A N THR 45.A O no hydrogen 3.182 N/A SER 48.A OG ALA 69.A O no hydrogen 3.017 N/A LEU 50.A N SER 46.A O no hydrogen 2.937 N/A CYS 51.A N ALA 47.A O no hydrogen 3.204 N/A CYS 51.A SG ALA 65.A O no hydrogen 4.044 N/A CYS 51.A SG GLY 185.A O no hydrogen 3.353 N/A ALA 53.A N ALA 49.A O no hydrogen 2.952 N/A ALA 54.A N LEU 50.A O no hydrogen 2.660 N/A CYS 55.A N CYS 51.A O no hydrogen 3.165 N/A CYS 55.A SG ASP 61.A O no hydrogen 3.350 N/A GLU 56.A N VAL 52.A O no hydrogen 2.968 N/A LEU 57.A N ALA 53.A O no hydrogen 2.972 N/A VAL 58.A N CYS 55.A O no hydrogen 3.261 N/A GLY 59.A N GLU 56.A O no hydrogen 2.952 N/A GLY 60.A N CYS 55.A O no hydrogen 2.848 N/A ASP 61.A N ASP 64.A OD2 no hydrogen 3.305 N/A ARG 62.A NE GLU 56.A OE2 no hydrogen 2.845 N/A ARG 62.A NH1 ASP 14.A OD2 no hydrogen 2.758 N/A ARG 62.A NH2 GLU 56.A OE1 no hydrogen 3.357 N/A ARG 62.A NH2 GLU 56.A OE2 no hydrogen 3.178 N/A SER 63.A N ASP 61.A OD2 no hydrogen 3.386 N/A SER 63.A OG ASP 61.A OD2 no hydrogen 3.144 N/A ASP 64.A N ASP 61.A O no hydrogen 3.161 N/A ALA 65.A N ARG 62.A O no hydrogen 2.968 N/A ALA 69.A N ALA 65.A O no hydrogen 2.770 N/A ALA 70.A N MET 66.A O no hydrogen 3.001 N/A ALA 71.A N ALA 67.A O no hydrogen 2.836 N/A VAL 72.A N ALA 68.A O no hydrogen 2.828 N/A HIS 73.A N ALA 69.A O no hydrogen 3.148 N/A HIS 73.A NE2 THR 39.A O no hydrogen 2.957 N/A LEU 74.A N ALA 70.A O no hydrogen 2.806 N/A MET 75.A N ALA 71.A O no hydrogen 2.815 N/A HIS 76.A N VAL 72.A O no hydrogen 2.992 N/A HIS 76.A NE2 PRO 43.A O no hydrogen 2.586 N/A VAL 77.A N HIS 73.A O no hydrogen 2.819 N/A ALA 78.A N LEU 74.A O no hydrogen 2.918 N/A ALA 79.A N MET 75.A O no hydrogen 3.048 N/A TYR 80.A N HIS 76.A O no hydrogen 2.946 N/A THR 81.A N VAL 77.A O no hydrogen 2.883 N/A THR 81.A OG1 VAL 77.A O no hydrogen 2.602 N/A HIS 82.A N ALA 78.A O no hydrogen 2.963 N/A HIS 82.A NE2 LEU 107.A O no hydrogen 3.180 N/A GLU 83.A N ALA 79.A O no hydrogen 2.911 N/A ASN 84.A N TYR 80.A O no hydrogen 3.144 N/A ASN 84.A ND2 TYR 80.A O no hydrogen 2.947 N/A LEU 85.A N HIS 82.A O no hydrogen 3.264 N/A GLY 90.A N LEU 87.A O no hydrogen 3.065 N/A SER 93.A N GLU 83.A O no hydrogen 2.725 N/A SER 93.A OG SER 95.A O no hydrogen 3.565 N/A HIS 99.A ND1 GLU 106.A OE2 no hydrogen 2.597 N/A ILE 105.A N ASN 104.A OD1 no hydrogen 2.698 N/A GLU 106.A N ASP 102.A O no hydrogen 3.110 N/A LEU 107.A N PRO 103.A O no hydrogen 2.985 N/A LEU 107.A N ASN 104.A O no hydrogen 3.213 N/A LEU 108.A N ASN 104.A O no hydrogen 3.204 N/A THR 109.A N ILE 105.A O no hydrogen 2.867 N/A THR 109.A OG1 ILE 105.A O no hydrogen 2.782 N/A GLY 110.A N GLU 106.A O no hydrogen 3.081 N/A ASP 111.A N LEU 107.A O no hydrogen 3.215 N/A GLY 112.A N LEU 108.A O no hydrogen 2.891 N/A ILE 113.A N THR 109.A O no hydrogen 2.901 N/A ILE 114.A N GLY 110.A O no hydrogen 3.304 N/A PHE 116.A N GLY 112.A O no hydrogen 3.338 N/A GLY 117.A N ILE 113.A O no hydrogen 3.405 N/A GLU 119.A N PRO 115.A O no hydrogen 2.696 N/A LEU 120.A N PHE 116.A O no hydrogen 2.730 N/A MET 121.A N GLY 117.A O no hydrogen 2.886 N/A ALA 122.A N LEU 118.A O no hydrogen 2.754 N/A ARG 123.A N GLU 119.A O no hydrogen 2.863 N/A ARG 123.A NE GLU 119.A OE2 no hydrogen 2.772 N/A ARG 123.A NH1 GLU 119.A OE2 no hydrogen 2.964 N/A SER 124.A N MET 121.A O no hydrogen 3.172 N/A SER 124.A OG MET 121.A O no hydrogen 2.742 N/A ARG 129.A N ASP 126.A O no hydrogen 3.176 N/A ARG 129.A NH1 ASP 64.A OD2 no hydrogen 2.643 N/A ASN 130.A N ASP 126.A O no hydrogen 3.479 N/A ILE 135.A N ASN 131.A O no hydrogen 2.403 N/A LEU 136.A N PRO 132.A O no hydrogen 3.203 N/A ARG 137.A N ASP 133.A O no hydrogen 2.999 N/A ARG 137.A NH1 ASP 133.A OD2 no hydrogen 2.906 N/A ALA 138.A N ARG 134.A O no hydrogen 2.883 N/A ILE 139.A N ILE 135.A O no hydrogen 2.992 N/A ILE 140.A N LEU 136.A O no hydrogen 3.122 N/A GLU 141.A N ARG 137.A O no hydrogen 3.267 N/A LEU 142.A N ALA 138.A O no hydrogen 3.120 N/A THR 143.A N ILE 139.A O no hydrogen 2.894 N/A THR 143.A OG1 ILE 139.A O no hydrogen 3.300 N/A THR 143.A OG1 ILE 140.A O no hydrogen 2.680 N/A ARG 144.A N ILE 140.A O no hydrogen 3.024 N/A VAL 145.A N GLU 141.A O no hydrogen 3.203 N/A GLY 150.A N GLY 147.A O no hydrogen 2.785 N/A ILE 151.A N VAL 145.A O no hydrogen 2.765 N/A GLY 154.A N GLY 150.A O no hydrogen 3.105 N/A GLN 155.A N ILE 151.A O no hydrogen 2.823 N/A GLN 155.A NE2 ALA 79.A O no hydrogen 3.694 N/A GLN 155.A NE2 GLU 83.A OE1 no hydrogen 2.784 N/A TYR 156.A N VAL 152.A O no hydrogen 2.765 N/A HIS 157.A N GLU 153.A O no hydrogen 3.125 N/A HIS 157.A NE2 GLU 153.A OE1 no hydrogen 2.881 N/A GLU 158.A N GLY 154.A O no hydrogen 2.950 N/A LEU 159.A N GLN 155.A O no hydrogen 3.296 N/A ASN 165.A ND2 GLY 160.A O no hydrogen 3.656 N/A LEU 169.A N ASP 166.A OD1 no hydrogen 3.097 N/A ILE 170.A N ASP 166.A O no hydrogen 2.969 N/A GLU 171.A N LEU 167.A O no hydrogen 3.026 N/A TYR 172.A N GLU 168.A O no hydrogen 2.989 N/A VAL 173.A N LEU 169.A O no hydrogen 3.036 N/A CYS 174.A N ILE 170.A O no hydrogen 2.982 N/A CYS 174.A SG ILE 170.A O no hydrogen 3.489 N/A LYS 175.A N GLU 171.A O no hydrogen 2.859 N/A LYS 176.A N TYR 172.A O no hydrogen 3.038 N/A LYS 176.A NZ GLU 149.A O no hydrogen 2.471 N/A LYS 177.A N VAL 173.A O no hydrogen 2.987 N/A LYS 177.A NZ GLU 83.A OE1 no hydrogen 3.443 N/A LYS 177.A NZ GLU 83.A OE2 no hydrogen 3.143 N/A LYS 177.A NZ GLU 158.A OE1 no hydrogen 2.760 N/A LYS 177.A NZ GLU 158.A OE2 no hydrogen 3.336 N/A GLU 178.A N GLU 178.A OE1 no hydrogen 2.742 N/A GLY 179.A N CYS 174.A O no hydrogen 2.780 N/A THR 180.A OG1 LYS 175.A O no hydrogen 3.262 N/A THR 180.A OG1 LYS 176.A O no hydrogen 3.234 N/A LEU 181.A N LYS 177.A O no hydrogen 3.109 N/A HIS 182.A N GLU 178.A O no hydrogen 3.130 N/A HIS 182.A ND1 GLU 178.A O no hydrogen 2.917 N/A HIS 182.A NE2 SER 46.A OG no hydrogen 2.708 N/A ALA 183.A N GLY 179.A O no hydrogen 2.921 N/A CYS 184.A N THR 180.A O no hydrogen 2.857 N/A CYS 184.A SG GLU 141.A O no hydrogen 3.354 N/A GLY 185.A N LEU 181.A O no hydrogen 3.041 N/A ALA 186.A N HIS 182.A O no hydrogen 2.812 N/A ALA 187.A N ALA 183.A O no hydrogen 2.923 N/A CYS 188.A N CYS 184.A O no hydrogen 2.800 N/A CYS 188.A SG ALA 138.A O no hydrogen 3.616 N/A CYS 188.A SG CYS 184.A O no hydrogen 3.349 N/A GLY 189.A N GLY 185.A O no hydrogen 2.917 N/A ALA 190.A N ALA 186.A O no hydrogen 2.855 N/A ILE 191.A N ALA 187.A O no hydrogen 2.876 N/A LEU 192.A N CYS 188.A O no hydrogen 2.922 N/A GLY 193.A N GLY 189.A O no hydrogen 2.978 N/A GLY 194.A N ALA 190.A O no hydrogen 2.966 N/A GLY 194.A N ILE 191.A O no hydrogen 3.176 N/A CYS 195.A SG ALA 190.A O no hydrogen 3.672 N/A ASP 196.A N ASP 196.A OD1 no hydrogen 2.519 N/A LYS 199.A N ASP 196.A O no hydrogen 3.123 N/A ILE 200.A N ASP 196.A O no hydrogen 3.055 N/A GLU 201.A N GLU 197.A O no hydrogen 3.316 N/A LYS 202.A N ASP 198.A O no hydrogen 3.283 N/A LEU 203.A N LYS 199.A O no hydrogen 3.109 N/A ARG 204.A N ILE 200.A O no hydrogen 2.778 N/A ARG 204.A NE GLU 141.A OE1 no hydrogen 3.187 N/A ARG 204.A NH1 GLU 141.A OE2 no hydrogen 2.809 N/A ARG 205.A N GLU 201.A O no hydrogen 2.898 N/A ARG 205.A NE GLU 238.A OE2 no hydrogen 2.794 N/A ARG 205.A NH1 GLU 238.A OE1 no hydrogen 3.263 N/A PHE 206.A N LYS 202.A O no hydrogen 2.889 N/A GLY 207.A N LEU 203.A O no hydrogen 2.823 N/A LEU 208.A N ARG 204.A O no hydrogen 2.900 N/A TYR 209.A N ARG 205.A O no hydrogen 2.967 N/A VAL 210.A N PHE 206.A O no hydrogen 3.141 N/A GLY 211.A N GLY 207.A O no hydrogen 2.737 N/A THR 212.A N LEU 208.A O no hydrogen 2.903 N/A THR 212.A OG1 LEU 208.A O no hydrogen 2.650 N/A VAL 213.A N TYR 209.A O no hydrogen 2.968 N/A GLN 214.A N VAL 210.A O no hydrogen 2.937 N/A GLY 215.A N GLY 211.A O no hydrogen 2.993 N/A LEU 216.A N THR 212.A O no hydrogen 3.075 N/A LEU 217.A N VAL 213.A O no hydrogen 2.865 N/A GLY 218.A N GLN 214.A O no hydrogen 2.936 N/A LYS 219.A N LEU 216.A O no hydrogen 3.168 N/A ASN 220.A N LEU 216.A O no hydrogen 3.236 N/A PHE 224.A N SER 222.A O no hydrogen 3.020 N/A ARG 227.A NE GLU 171.A OE2 no hydrogen 2.674 N/A ARG 227.A NH1 GLU 171.A OE2 no hydrogen 3.239 N/A ILE 228.A N PHE 224.A O no hydrogen 2.963 N/A LYS 229.A N GLU 225.A O no hydrogen 3.301 N/A GLU 230.A N GLY 226.A O no hydrogen 3.425 N/A LEU 231.A N ARG 227.A O no hydrogen 2.954 N/A LYS 232.A N ILE 228.A O no hydrogen 3.066 N/A LYS 232.A NZ GLU 255.A O no hydrogen 2.760 N/A GLU 233.A N LYS 229.A O no hydrogen 3.312 N/A LEU 234.A N GLU 230.A O no hydrogen 3.367 N/A ALA 235.A N LEU 231.A O no hydrogen 2.977 N/A VAL 236.A N LYS 232.A O no hydrogen 3.017 N/A LYS 237.A N GLU 233.A O no hydrogen 2.907 N/A GLU 238.A N LEU 234.A O no hydrogen 3.244 N/A LEU 239.A N ALA 235.A O no hydrogen 3.294 N/A GLU 240.A N VAL 236.A O no hydrogen 3.285 N/A GLU 240.A N LYS 237.A O no hydrogen 3.258 N/A SER 241.A OG GLU 240.A O no hydrogen 2.344 N/A PHE 242.A N LEU 239.A O no hydrogen 3.052 N/A LYS 246.A NZ GLU 245.A OE2 no hydrogen 2.604 N/A ILE 247.A N GLY 244.A O no hydrogen 3.421 N/A GLU 248.A N GLU 245.A O no hydrogen 3.262 N/A ILE 250.A N LYS 246.A O no hydrogen 2.932 N/A ARG 251.A N ILE 247.A O no hydrogen 2.954 N/A GLY 252.A N GLU 248.A O no hydrogen 2.887 N/A VAL 253.A N LEU 249.A O no hydrogen 2.822 N/A PHE 254.A N ILE 250.A O no hydrogen 3.181 N/A GLU 255.A N GLY 252.A O no hydrogen 2.893 N/A LEU 256.A N ARG 251.A O no hydrogen 2.775 N/A