Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3czr_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): GLN 1.A NE2 ILE 191.A O no hydrogen 3.321 N/A GLN 1.A NE2 ARG 232.A O no hydrogen 2.792 N/A GLN 1.A NE2 GLN 233.A O no hydrogen 3.543 N/A GLN 2.A NE2 PRO 3.A O no hydrogen 3.325 N/A LEU 4.A N LEU 231.A O no hydrogen 3.166 N/A ARG 9.A NH1 GLU 6.A OE1 no hydrogen 3.215 N/A GLU 11.A N GLU 11.A OE1 no hydrogen 2.814 N/A MET 12.A N ARG 9.A O no hydrogen 2.825 N/A LEU 13.A N PRO 10.A O no hydrogen 3.422 N/A GLN 14.A N GLU 11.A O no hydrogen 2.909 N/A GLY 15.A N GLY 39.A O no hydrogen 2.726 N/A LYS 16.A N LEU 13.A O no hydrogen 3.102 N/A LYS 16.A NZ MET 12.A O no hydrogen 3.256 N/A LYS 17.A N ASP 95.A OD2 no hydrogen 2.806 N/A LYS 17.A NZ GLY 92.A O no hydrogen 2.755 N/A VAL 18.A N HIS 41.A O no hydrogen 2.931 N/A ILE 19.A N MET 96.A O no hydrogen 2.996 N/A VAL 20.A N VAL 43.A O no hydrogen 3.181 N/A THR 21.A N ILE 98.A O no hydrogen 3.214 N/A THR 21.A OG1 HIS 101.A ND1 no hydrogen 2.308 N/A ALA 23.A N THR 45.A O no hydrogen 3.092 N/A ARG 29.A N LYS 25.A O no hydrogen 2.908 N/A GLU 30.A N GLY 26.A O no hydrogen 3.355 N/A MET 31.A N ILE 27.A O no hydrogen 2.839 N/A ALA 32.A N GLY 28.A O no hydrogen 3.015 N/A TYR 33.A N ARG 29.A O no hydrogen 3.011 N/A HIS 34.A N GLU 30.A O no hydrogen 3.021 N/A HIS 34.A NE2 GLU 219.A O no hydrogen 2.886 N/A LEU 35.A N MET 31.A O no hydrogen 2.913 N/A ALA 36.A N ALA 32.A O no hydrogen 2.709 N/A LYS 37.A N TYR 33.A O no hydrogen 2.968 N/A MET 38.A N LEU 35.A O no hydrogen 2.922 N/A GLY 39.A N ALA 36.A O no hydrogen 2.737 N/A ALA 40.A N LEU 35.A O no hydrogen 3.242 N/A HIS 41.A N LYS 16.A O no hydrogen 2.609 N/A VAL 42.A N SER 66.A O no hydrogen 3.117 N/A VAL 43.A N VAL 18.A O no hydrogen 3.064 N/A VAL 44.A N HIS 68.A O no hydrogen 3.016 N/A THR 45.A N VAL 20.A O no hydrogen 3.373 N/A THR 45.A OG1 ILE 70.A O no hydrogen 2.974 N/A SER 48.A OG THR 51.A OG1 no hydrogen 3.013 N/A THR 51.A OG1 SER 48.A O no hydrogen 3.037 N/A THR 51.A OG1 SER 48.A OG no hydrogen 3.013 N/A LEU 52.A N SER 48.A O no hydrogen 3.211 N/A GLN 53.A N LYS 49.A O no hydrogen 2.824 N/A LYS 54.A N GLU 50.A O no hydrogen 3.409 N/A VAL 55.A N THR 51.A O no hydrogen 3.429 N/A VAL 56.A N LEU 52.A O no hydrogen 2.952 N/A SER 57.A N GLN 53.A O no hydrogen 2.747 N/A SER 57.A OG GLN 53.A O no hydrogen 3.181 N/A HIS 58.A N LYS 54.A O no hydrogen 2.886 N/A CYS 59.A N VAL 55.A O no hydrogen 2.787 N/A CYS 59.A SG VAL 55.A O no hydrogen 3.315 N/A LEU 60.A N VAL 56.A O no hydrogen 3.109 N/A GLU 61.A N SER 57.A O no hydrogen 2.949 N/A LEU 62.A N HIS 58.A O no hydrogen 2.737 N/A GLY 63.A N LEU 60.A O no hydrogen 2.878 N/A ALA 64.A N CYS 59.A O no hydrogen 3.089 N/A ALA 65.A N ALA 40.A O no hydrogen 2.966 N/A SER 66.A OG HIS 41.A ND1 no hydrogen 3.382 N/A HIS 68.A N VAL 42.A O no hydrogen 2.988 N/A ILE 70.A N VAL 44.A O no hydrogen 3.162 N/A GLY 72.A N ALA 46.A O no hydrogen 2.990 N/A THR 73.A OG1 GLU 75.A OE2 no hydrogen 2.508 N/A GLU 75.A N THR 73.A OG1 no hydrogen 2.972 N/A ASP 76.A N THR 73.A O no hydrogen 2.869 N/A PHE 79.A N ASP 76.A OD2 no hydrogen 2.739 N/A ALA 80.A N ASP 76.A O no hydrogen 2.815 N/A GLU 81.A N MET 77.A O no hydrogen 2.956 N/A GLN 82.A N THR 78.A O no hydrogen 2.995 N/A PHE 83.A N PHE 79.A O no hydrogen 2.624 N/A VAL 84.A N ALA 80.A O no hydrogen 3.375 N/A GLN 86.A N GLN 82.A O no hydrogen 2.961 N/A ALA 87.A N PHE 83.A O no hydrogen 2.940 N/A GLY 88.A N VAL 84.A O no hydrogen 2.829 N/A LYS 89.A N ALA 85.A O no hydrogen 3.043 N/A LEU 90.A N GLN 86.A O no hydrogen 3.068 N/A MET 91.A N ALA 87.A O no hydrogen 3.336 N/A GLY 92.A N GLY 88.A O no hydrogen 2.769 N/A GLY 92.A N LYS 89.A O no hydrogen 2.897 N/A GLY 93.A N GLY 88.A O no hydrogen 3.078 N/A ASP 95.A N LYS 17.A O no hydrogen 2.880 N/A MET 96.A N LYS 17.A O no hydrogen 3.097 N/A LEU 97.A N SER 145.A O no hydrogen 2.758 N/A ILE 98.A N ILE 19.A O no hydrogen 2.998 N/A LEU 99.A N VAL 147.A O no hydrogen 2.690 N/A ASN 100.A N THR 21.A OG1 no hydrogen 3.067 N/A HIS 101.A N THR 21.A OG1 no hydrogen 3.167 N/A HIS 101.A ND1 THR 21.A OG1 no hydrogen 2.308 N/A HIS 101.A NE2 SER 127.A OG no hydrogen 2.898 N/A THR 103.A N ASN 124.A OD1 no hydrogen 2.975 N/A ASN 108.A N MET 160.A O no hydrogen 3.252 N/A ASN 108.A ND2 SER 106.A O no hydrogen 3.175 N/A ILE 114.A N ASP 112.A O no hydrogen 2.913 N/A HIS 116.A N ASP 113.A O no hydrogen 2.872 N/A HIS 116.A N ASP 113.A OD1 no hydrogen 3.125 N/A VAL 117.A N ASP 113.A O no hydrogen 3.072 N/A ARG 118.A N ILE 114.A O no hydrogen 2.870 N/A LYS 119.A N HIS 115.A O no hydrogen 3.088 N/A LYS 119.A NZ HIS 115.A NE2.B no hydrogen 2.530 N/A SER 120.A N HIS 116.A O no hydrogen 2.932 N/A SER 120.A OG HIS 116.A O no hydrogen 2.855 N/A MET 121.A N VAL 117.A O no hydrogen 2.996 N/A GLU 122.A N ARG 118.A O no hydrogen 2.717 N/A VAL 123.A N LYS 119.A O no hydrogen 2.782 N/A ASN 124.A N SER 120.A O no hydrogen 2.515 N/A ASN 124.A ND2 SER 167.A OG no hydrogen 2.994 N/A PHE 125.A N MET 121.A O no hydrogen 3.032 N/A LEU 126.A N MET 121.A O no hydrogen 2.789 N/A SER 127.A N GLU 122.A O no hydrogen 2.967 N/A SER 127.A OG HIS 101.A NE2 no hydrogen 2.898 N/A SER 127.A OG VAL 123.A O no hydrogen 2.825 N/A TYR 128.A N PHE 125.A O no hydrogen 2.756 N/A TYR 128.A OH HIS 101.A O no hydrogen 2.664 N/A VAL 129.A N PHE 125.A O no hydrogen 3.321 N/A VAL 130.A N LEU 126.A O no hydrogen 2.987 N/A LEU 131.A N SER 127.A O no hydrogen 2.997 N/A THR 132.A N TYR 128.A O no hydrogen 3.052 N/A THR 132.A OG1 TYR 128.A O no hydrogen 2.675 N/A VAL 133.A N VAL 129.A O no hydrogen 2.931 N/A ALA 134.A N VAL 130.A O no hydrogen 3.095 N/A ALA 135.A N THR 132.A O no hydrogen 2.967 N/A LEU 136.A N THR 132.A O no hydrogen 2.948 N/A LEU 139.A N ALA 135.A O no hydrogen 2.884 N/A LYS 140.A N LEU 136.A O no hydrogen 2.554 N/A GLN 141.A N PRO 137.A O no hydrogen 3.240 N/A SER 142.A N MET 138.A O no hydrogen 3.189 N/A SER 142.A OG LEU 94.A O no hydrogen 2.226 N/A SER 142.A OG MET 138.A O no hydrogen 3.277 N/A SER 142.A OG LEU 139.A O no hydrogen 3.567 N/A ASN 143.A ND2 LYS 140.A O no hydrogen 2.749 N/A GLY 144.A N LEU 139.A O no hydrogen 2.870 N/A SER 145.A OG SER 190.A OG no hydrogen 2.533 N/A ILE 146.A N SER 190.A O no hydrogen 2.820 N/A VAL 147.A N LEU 97.A O no hydrogen 2.812 N/A VAL 148.A N THR 192.A O no hydrogen 2.796 N/A VAL 149.A N LEU 99.A O no hydrogen 2.918 N/A SER 150.A N CYS 194.A O no hydrogen 2.607 N/A SER 151.A OG TYR 164.A OH no hydrogen 2.579 N/A LEU 152.A N LEU 196.A O no hydrogen 3.015 N/A GLY 154.A N SER 151.A O no hydrogen 2.612 N/A LYS 155.A N LEU 152.A O no hydrogen 2.995 N/A LYS 155.A NZ ASP 172.A OD2 no hydrogen 2.766 N/A LYS 155.A NZ GLU 235.A OE1 no hydrogen 2.822 N/A VAL 156.A N LEU 152.A O no hydrogen 2.858 N/A TYR 164.A OH SER 151.A OG no hydrogen 2.579 N/A SER 165.A N VAL 161.A O no hydrogen 2.722 N/A SER 165.A OG ALA 153.A O no hydrogen 2.539 N/A ALA 166.A N ALA 162.A O no hydrogen 2.975 N/A SER 167.A N ALA 163.A O no hydrogen 3.135 N/A SER 167.A OG TYR 164.A O no hydrogen 2.862 N/A LYS 168.A N TYR 164.A O no hydrogen 3.064 N/A LYS 168.A NZ VAL 149.A O no hydrogen 2.830 N/A PHE 169.A N SER 165.A O no hydrogen 2.650 N/A ALA 170.A N ALA 166.A O no hydrogen 2.897 N/A LEU 171.A N SER 167.A O no hydrogen 3.143 N/A ASP 172.A N PHE 169.A O no hydrogen 2.964 N/A GLY 173.A N PHE 169.A O no hydrogen 3.056 N/A PHE 174.A N ALA 170.A O no hydrogen 2.891 N/A PHE 175.A N LEU 171.A O no hydrogen 2.990 N/A SER 176.A N ASP 172.A O no hydrogen 2.872 N/A SER 176.A OG ASP 172.A O no hydrogen 2.677 N/A SER 176.A OG ASP 172.A OD1 no hydrogen 2.573 N/A SER 177.A N GLY 173.A O no hydrogen 3.372 N/A SER 177.A OG.A GLY 173.A O no hydrogen 2.770 N/A ILE 178.A N PHE 174.A O no hydrogen 2.933 N/A ARG 179.A N PHE 175.A O no hydrogen 3.037 N/A ARG 179.A NE GLN 1.A OE1 no hydrogen 3.087 N/A ARG 179.A NE ILE 191.A O no hydrogen 3.085 N/A ARG 179.A NH2 ILE 191.A O no hydrogen 2.490 N/A LYS 180.A NZ GLU 257.A OE2 no hydrogen 2.897 N/A GLU 181.A N SER 177.A O no hydrogen 3.020 N/A TYR 182.A N ILE 178.A O no hydrogen 2.783 N/A SER 183.A N LYS 180.A O no hydrogen 3.251 N/A VAL 184.A N LYS 180.A O no hydrogen 3.212 N/A VAL 184.A N GLU 181.A O no hydrogen 3.142 N/A SER 185.A N GLU 181.A O no hydrogen 2.928 N/A SER 185.A OG GLU 181.A O no hydrogen 2.825 N/A VAL 187.A N TYR 182.A O no hydrogen 2.755 N/A ASN 188.A ND2.A ASN 143.A OD1 no hydrogen 3.092 N/A SER 190.A N GLY 144.A O no hydrogen 3.159 N/A SER 190.A OG GLY 144.A O no hydrogen 3.486 N/A ILE 191.A N GLN 1.A OE1 no hydrogen 3.012 N/A THR 192.A N ILE 146.A O no hydrogen 2.803 N/A THR 192.A OG1 GLN 233.A O no hydrogen 2.553 N/A LEU 193.A N GLU 234.A O no hydrogen 2.671 N/A CYS 194.A N VAL 148.A O no hydrogen 2.827 N/A CYS 194.A SG VAL 148.A O no hydrogen 3.789 N/A VAL 195.A N VAL 236.A O no hydrogen 2.748 N/A LEU 196.A N SER 150.A O no hydrogen 3.353 N/A GLY 197.A N TYR 238.A O no hydrogen 2.760 N/A ASP 200.A N ALA 216.A O no hydrogen 2.879 N/A THR 201.A N ILE 199.A O no hydrogen 2.758 N/A ALA 204.A N THR 201.A OG1 no hydrogen 3.357 N/A MET 205.A N THR 201.A O no hydrogen 2.751 N/A LYS 206.A N GLU 202.A O no hydrogen 2.909 N/A ALA 207.A N THR 203.A O no hydrogen 2.937 N/A VAL 208.A N ALA 204.A O no hydrogen 3.084 N/A SER 209.A N MET 205.A O no hydrogen 2.721 N/A SER 209.A OG LYS 206.A O no hydrogen 3.326 N/A ALA 216.A N LEU 198.A O no hydrogen 2.879 N/A LYS 218.A N ASP 200.A OD2 no hydrogen 2.908 N/A CYS 221.A N PRO 217.A O no hydrogen 3.163 N/A ALA 222.A N LYS 218.A O no hydrogen 2.961 N/A LEU 223.A N GLU 219.A O no hydrogen 3.295 N/A GLU 224.A N GLU 220.A O no hydrogen 2.943 N/A ILE 225.A N CYS 221.A O no hydrogen 3.034 N/A ILE 226.A N ALA 222.A O no hydrogen 3.129 N/A LYS 227.A N LEU 223.A O no hydrogen 2.838 N/A LYS 227.A NZ GLU 224.A OE1 no hydrogen 2.699 N/A LYS 227.A NZ GLU 224.A OE2 no hydrogen 3.027 N/A GLY 228.A N GLU 224.A O no hydrogen 3.051 N/A GLY 229.A N ILE 225.A O no hydrogen 3.240 N/A ALA 230.A N ILE 226.A O no hydrogen 2.952 N/A LEU 231.A N LYS 227.A O no hydrogen 3.040 N/A ARG 232.A N GLY 229.A O no hydrogen 2.898 N/A ARG 232.A NH1 ASN 143.A O no hydrogen 2.758 N/A ARG 232.A NH1 GLY 144.A O no hydrogen 2.940 N/A ARG 232.A NH2 ASN 143.A O no hydrogen 2.992 N/A ARG 232.A NH2 GLY 144.A O no hydrogen 3.167 N/A ARG 232.A NH2 ASN 188.A OD1.A no hydrogen 3.265 N/A GLN 233.A N GLY 228.A O no hydrogen 3.134 N/A VAL 236.A N LEU 193.A O no hydrogen 2.932 N/A TYR 237.A OH GLU 235.A OE2 no hydrogen 2.315 N/A TYR 238.A N VAL 195.A O no hydrogen 3.075 N/A TYR 238.A OH GLU 220.A OE1 no hydrogen 2.374 N/A SER 240.A OG GLN 214.A O no hydrogen 3.365 N/A SER 241.A N ASP 239.A OD1 no hydrogen 2.932 N/A THR 244.A N SER 241.A OG no hydrogen 3.323 N/A THR 245.A N SER 241.A O no hydrogen 3.040 N/A THR 245.A OG1 SER 241.A O no hydrogen 2.618 N/A LEU 246.A N TRP 243.A O no hydrogen 3.147 N/A LEU 247.A N TRP 243.A O no hydrogen 2.924 N/A ILE 248.A N THR 244.A O no hydrogen 2.998 N/A ARG 249.A N LEU 246.A O no hydrogen 3.314 N/A ARG 249.A NH2 THR 245.A O no hydrogen 3.171 N/A ARG 253.A N ASN 250.A O no hydrogen 3.114 N/A ARG 253.A N ASN 250.A OD1 no hydrogen 3.127 N/A ARG 253.A NE GLU 257.A OE1 no hydrogen 2.949 N/A ARG 253.A NH1 ASP 172.A OD1 no hydrogen 3.553 N/A ARG 253.A NH1 ASP 172.A OD2 no hydrogen 2.957 N/A ARG 253.A NH2 ASP 172.A OD1 no hydrogen 3.073 N/A LYS 254.A N ASN 250.A O no hydrogen 3.300 N/A ILE 255.A N PRO 251.A O no hydrogen 3.081 N/A LEU 256.A N SER 252.A O no hydrogen 3.113 N/A GLU 257.A N ARG 253.A O no hydrogen 2.969 N/A PHE 258.A N LYS 254.A O no hydrogen 3.006 N/A LEU 259.A N ILE 255.A O no hydrogen 2.845 N/A TYR 260.A N LEU 256.A O no hydrogen 2.939 N/A SER 261.A N GLU 257.A O no hydrogen 2.983 N/A THR 262.A N PHE 258.A O no hydrogen 3.137 N/A THR 262.A OG1 PHE 258.A O no hydrogen 2.953 N/A SER 263.A N TYR 260.A O no hydrogen 3.155 N/A ASN 265.A ND2 TYR 264.A O no hydrogen 3.528 N/A