Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4q3d_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): THR 4.A N ASP 7.A OD2 no hydrogen 3.030 N/A THR 4.A OG1 ASP 7.A OD2 no hydrogen 3.161 N/A ASP 7.A N THR 4.A O no hydrogen 3.205 N/A LEU 8.A N PRO 5.A O no hydrogen 2.957 N/A GLN 14.A N ASN 10.A O no hydrogen 3.091 N/A GLN 14.A NE2 ASP 7.A O no hydrogen 3.039 N/A GLN 14.A NE2 ILE 9.A O no hydrogen 2.684 N/A LEU 15.A N ILE 11.A O no hydrogen 2.884 N/A GLN 16.A N ASN 12.A O no hydrogen 2.951 N/A LYS 17.A N MET 13.A O no hydrogen 2.918 N/A ALA 18.A N GLN 14.A O no hydrogen 3.044 N/A ASP 19.A N LEU 15.A O no hydrogen 2.860 N/A SER 20.A N GLN 16.A O no hydrogen 3.072 N/A SER 20.A OG GLN 16.A O no hydrogen 3.276 N/A ALA 21.A N LYS 17.A O no hydrogen 3.149 N/A VAL 22.A N ALA 18.A O no hydrogen 2.860 N/A GLN 23.A N ASP 19.A O no hydrogen 2.931 N/A GLU 24.A N SER 20.A O no hydrogen 2.869 N/A VAL 25.A N ALA 21.A O no hydrogen 2.950 N/A THR 26.A N VAL 22.A O no hydrogen 2.915 N/A THR 26.A OG1 VAL 22.A O no hydrogen 2.982 N/A GLY 27.A N GLN 23.A O no hydrogen 2.811 N/A LEU 28.A N THR 26.A OG1 no hydrogen 3.152 N/A ILE 30.A N ASP 19.A OD1 no hydrogen 2.886 N/A GLY 32.A N ASP 29.A OD1 no hydrogen 2.746 N/A ILE 33.A N ASP 29.A O no hydrogen 2.927 N/A CYS 34.A N ILE 30.A O no hydrogen 2.973 N/A CYS 34.A SG ILE 30.A O no hydrogen 3.545 N/A LYS 35.A N LYS 31.A O no hydrogen 2.898 N/A ALA 36.A N GLY 32.A O no hydrogen 3.003 N/A LEU 37.A N ILE 33.A O no hydrogen 2.995 N/A TYR 38.A N CYS 34.A O no hydrogen 2.875 N/A TYR 38.A OH SER 252.A OG no hydrogen 2.613 N/A GLY 39.A N LYS 35.A O no hydrogen 2.742 N/A THR 40.A OG1 TYR 255.A O no hydrogen 2.747 N/A SER 42.A OG PHE 73.A O no hydrogen 2.816 N/A SER 43.A N GLU 45.A OE1 no hydrogen 2.843 N/A GLU 45.A N GLU 45.A OE1 no hydrogen 2.776 N/A LYS 46.A N GLU 97.A OE2 no hydrogen 2.723 N/A LYS 46.A NZ ASN 94.A O no hydrogen 3.232 N/A VAL 47.A N ASP 76.A O no hydrogen 3.065 N/A GLY 48.A N ILE 98.A O no hydrogen 2.847 N/A ILE 49.A N PHE 78.A O no hydrogen 2.768 N/A VAL 50.A N LEU 100.A O no hydrogen 3.000 N/A THR 53.A N ASP 84.A OD1 no hydrogen 2.831 N/A THR 53.A OG1 ASP 84.A OD1 no hydrogen 3.362 N/A THR 53.A OG1 ASP 84.A OD2 no hydrogen 2.534 N/A ASN 56.A N ASP 104.A OD2 no hydrogen 2.770 N/A GLY 57.A N SER 54.A O no hydrogen 3.032 N/A ASN 61.A ND2 PRO 5.A O no hydrogen 3.235 N/A PHE 62.A N ILE 59.A O no hydrogen 2.984 N/A SER 65.A N ASN 61.A O no hydrogen 2.901 N/A SER 65.A OG ASN 61.A O no hydrogen 2.564 N/A LEU 66.A N PHE 62.A O no hydrogen 3.029 N/A HIS 67.A N SER 63.A O no hydrogen 2.889 N/A ALA 68.A N ALA 64.A O no hydrogen 3.076 N/A ILE 69.A N SER 65.A O no hydrogen 2.814 N/A THR 70.A N LEU 66.A O no hydrogen 2.832 N/A THR 70.A OG1 LEU 66.A O no hydrogen 2.616 N/A THR 70.A OG1 HIS 67.A O no hydrogen 2.856 N/A THR 70.A OG1 SER 77.A OG no hydrogen 2.597 N/A GLN 71.A N HIS 67.A O no hydrogen 3.090 N/A TYR 72.A N ALA 68.A O no hydrogen 2.802 N/A TYR 72.A OH ASP 19.A OD2 no hydrogen 2.593 N/A PHE 73.A N ILE 69.A O no hydrogen 3.186 N/A PHE 73.A N THR 70.A O no hydrogen 3.217 N/A GLY 74.A N GLN 71.A O no hydrogen 2.911 N/A PHE 75.A N THR 70.A O no hydrogen 3.002 N/A ASP 76.A N GLU 45.A O no hydrogen 2.967 N/A SER 77.A OG HIS 67.A O no hydrogen 3.454 N/A SER 77.A OG THR 70.A OG1 no hydrogen 2.597 N/A SER 77.A OG GLN 71.A OE1 no hydrogen 3.227 N/A PHE 78.A N VAL 47.A O no hydrogen 2.908 N/A THR 80.A N ILE 49.A O no hydrogen 3.087 N/A THR 80.A OG1 ILE 49.A O no hydrogen 3.472 N/A THR 80.A OG1 MET 82.A O no hydrogen 2.870 N/A ASP 81.A N GLU 90.A OE1 no hydrogen 2.848 N/A MET 82.A N GLU 90.A OE2 no hydrogen 3.016 N/A ASP 84.A N PRO 51.A O no hydrogen 2.847 N/A GLY 87.A N PRO 83.A O no hydrogen 2.943 N/A TYR 88.A N ASP 84.A O no hydrogen 2.975 N/A TYR 89.A N VAL 85.A O no hydrogen 2.991 N/A GLU 90.A N SER 86.A O no hydrogen 2.997 N/A ALA 91.A N GLY 87.A O no hydrogen 2.886 N/A VAL 92.A N TYR 88.A O no hydrogen 2.975 N/A GLN 93.A N TYR 89.A O no hydrogen 2.891 N/A ASN 94.A N GLU 90.A O no hydrogen 2.885 N/A ASN 94.A ND2 GLU 90.A O no hydrogen 3.172 N/A GLY 95.A N VAL 92.A O no hydrogen 3.097 N/A ALA 96.A N ALA 91.A O no hydrogen 3.083 N/A GLU 97.A N LYS 46.A O no hydrogen 2.795 N/A ILE 98.A N LYS 46.A O no hydrogen 3.150 N/A ILE 99.A N HIS 110.A O no hydrogen 2.791 N/A LEU 100.A N GLY 48.A O no hydrogen 2.932 N/A MET 101.A N LEU 108.A O no hydrogen 3.323 N/A ASP 103.A N THR 106.A O no hydrogen 2.850 N/A ARG 105.A N ASP 103.A OD1 no hydrogen 3.130 N/A THR 106.A N ASP 103.A OD1 no hydrogen 2.862 N/A LEU 108.A N MET 101.A O no hydrogen 3.041 N/A ALA 109.A N ALA 118.A O no hydrogen 3.105 N/A HIS 110.A N ILE 99.A O no hydrogen 2.840 N/A ASN 111.A N LYS 116.A O no hydrogen 2.970 N/A ASN 111.A ND2 VAL 257.A O no hydrogen 2.870 N/A LEU 112.A N GLU 97.A O no hydrogen 2.655 N/A LYS 113.A N ASN 111.A OD1 no hydrogen 2.825 N/A ASN 114.A N ASN 111.A OD1 no hydrogen 3.375 N/A ASN 114.A ND2 VAL 257.A O no hydrogen 3.028 N/A GLY 115.A N ASN 111.A O no hydrogen 2.893 N/A LYS 116.A N ASN 114.A OD1 no hydrogen 2.967 N/A ALA 118.A N ALA 109.A O no hydrogen 2.873 N/A ASN 120.A N PHE 107.A O no hydrogen 2.899 N/A GLN 121.A N ASN 119.A OD1 no hydrogen 2.889 N/A CYS 123.A N ASN 119.A O no hydrogen 3.283 N/A CYS 123.A SG ASN 119.A O no hydrogen 3.462 N/A THR 124.A N ASN 120.A O no hydrogen 2.940 N/A THR 124.A OG1 ASN 120.A O no hydrogen 2.728 N/A GLY 125.A N GLN 121.A O no hydrogen 3.135 N/A ILE 126.A N PRO 122.A O no hydrogen 2.895 N/A ILE 127.A N CYS 123.A O no hydrogen 3.280 N/A TYR 128.A N THR 124.A O no hydrogen 3.120 N/A ALA 129.A N GLY 125.A O no hydrogen 2.986 N/A GLU 130.A N ILE 126.A O no hydrogen 2.822 N/A ILE 131.A N ILE 127.A O no hydrogen 2.860 N/A ALA 132.A N TYR 128.A O no hydrogen 3.130 N/A SER 133.A N ALA 129.A O no hydrogen 3.063 N/A SER 133.A OG ALA 129.A O no hydrogen 3.438 N/A SER 133.A OG GLU 130.A O no hydrogen 2.629 N/A ARG 134.A N GLU 130.A O no hydrogen 3.104 N/A ARG 134.A N ILE 131.A O no hydrogen 3.154 N/A ARG 134.A NH2 GLU 130.A OE1 no hydrogen 3.430 N/A TYR 135.A N ALA 132.A O no hydrogen 3.357 N/A LEU 136.A N VAL 25.A O no hydrogen 3.029 N/A ALA 138.A N TYR 135.A O no hydrogen 2.999 N/A LYS 141.A NZ ASP 163.A O no hydrogen 2.895 N/A LYS 141.A NZ ASP 163.A OD2 no hydrogen 3.487 N/A ASP 142.A N SER 140.A OG no hydrogen 2.913 N/A VAL 143.A N ARG 165.A O no hydrogen 3.021 N/A LEU 144.A N ILE 198.A O no hydrogen 3.133 N/A VAL 145.A N TYR 167.A O no hydrogen 2.871 N/A VAL 146.A N PHE 200.A O no hydrogen 2.878 N/A GLY 147.A N TYR 169.A O no hydrogen 2.849 N/A LEU 148.A N ASP 170.A OD2 no hydrogen 2.783 N/A PHE 153.A N GLY 149.A O no hydrogen 2.837 N/A GLY 155.A N VAL 151.A O no hydrogen 3.336 N/A ALA 156.A N GLY 152.A O no hydrogen 2.913 N/A GLU 157.A N PHE 153.A O no hydrogen 2.858 N/A HIS 158.A N PRO 154.A O no hydrogen 2.934 N/A HIS 158.A NE2 GLU 130.A OE2 no hydrogen 2.626 N/A LEU 159.A N GLY 155.A O no hydrogen 3.077 N/A VAL 160.A N ALA 156.A O no hydrogen 2.915 N/A GLN 161.A N GLU 157.A O no hydrogen 2.960 N/A LYS 162.A N HIS 158.A O no hydrogen 2.818 N/A ASP 163.A N VAL 160.A O no hydrogen 2.960 N/A PHE 164.A N LEU 159.A O no hydrogen 3.038 N/A ARG 165.A N LYS 141.A O no hydrogen 2.851 N/A ARG 165.A NE TYR 167.A OH no hydrogen 3.342 N/A TYR 167.A N VAL 143.A O no hydrogen 2.903 N/A GLY 168.A N ILE 186.A O no hydrogen 2.739 N/A TYR 169.A N VAL 145.A O no hydrogen 2.919 N/A ASP 172.A N ASP 170.A OD1 no hydrogen 2.846 N/A THR 174.A N ASP 172.A OD1 no hydrogen 2.983 N/A LEU 175.A N ASP 172.A OD1 no hydrogen 3.452 N/A LEU 176.A N ASP 172.A O no hydrogen 3.095 N/A GLU 177.A N GLU 173.A O no hydrogen 3.058 N/A ARG 178.A N THR 174.A O no hydrogen 3.048 N/A ALA 179.A N LEU 175.A O no hydrogen 3.256 N/A THR 180.A N LEU 176.A O no hydrogen 2.961 N/A THR 180.A OG1 LEU 176.A O no hydrogen 3.197 N/A THR 180.A OG1 GLU 177.A O no hydrogen 3.065 N/A SER 181.A N GLU 177.A O no hydrogen 2.706 N/A SER 181.A OG ARG 178.A O no hydrogen 3.497 N/A SER 181.A OG ASN 182.A OD1 no hydrogen 3.096 N/A ASN 182.A N ARG 178.A O no hydrogen 2.898 N/A LEU 183.A N ALA 179.A O no hydrogen 2.957 N/A GLY 184.A N THR 180.A O no hydrogen 3.113 N/A ILE 186.A N VAL 166.A O no hydrogen 3.002 N/A PHE 188.A N GLY 168.A O no hydrogen 2.833 N/A ALA 191.A N ASP 189.A OD1 no hydrogen 2.558 N/A ASN 192.A N ASP 189.A O no hydrogen 3.142 N/A LYS 194.A NZ ASP 142.A OD2 no hydrogen 2.776 N/A LYS 194.A NZ TYR 167.A OH no hydrogen 3.279 N/A PHE 196.A N VAL 213.A O no hydrogen 2.858 N/A SER 197.A OG ALA 138.A O no hydrogen 2.769 N/A ILE 199.A N VAL 219.A O no hydrogen 3.090 N/A PHE 200.A N LEU 144.A O no hydrogen 2.766 N/A GLU 201.A N SER 221.A O no hydrogen 3.158 N/A ALA 202.A N VAL 146.A O no hydrogen 2.849 N/A THR 203.A N GLU 201.A OE2 no hydrogen 3.082 N/A THR 203.A OG1 GLU 201.A OE1 no hydrogen 2.594 N/A CYS 205.A N THR 203.A OG1 no hydrogen 3.109 N/A THR 208.A N ALA 228.A O no hydrogen 3.067 N/A THR 208.A OG1 GLU 201.A OE1 no hydrogen 2.470 N/A VAL 213.A N PRO 210.A O no hydrogen 3.232 N/A LEU 214.A N GLU 211.A O no hydrogen 3.164 N/A SER 215.A N PHE 196.A O no hydrogen 3.367 N/A SER 215.A OG PHE 196.A O no hydrogen 2.676 N/A ASN 217.A N TYR 237.A O no hydrogen 2.869 N/A ASN 217.A ND2 GLU 238.A O no hydrogen 3.281 N/A CYS 218.A N SER 215.A O no hydrogen 3.389 N/A CYS 218.A SG SER 215.A O no hydrogen 3.401 N/A VAL 219.A N SER 197.A O no hydrogen 3.043 N/A LEU 220.A N GLN 240.A O no hydrogen 2.751 N/A SER 221.A N ILE 199.A O no hydrogen 2.935 N/A SER 221.A OG TYR 128.A O no hydrogen 2.837 N/A THR 222.A N ILE 242.A O no hydrogen 2.854 N/A THR 222.A OG1 GLU 201.A O no hydrogen 2.901 N/A THR 222.A OG1 GLU 201.A OE2 no hydrogen 2.867 N/A GLY 224.A N THR 222.A OG1 no hydrogen 3.153 N/A ARG 234.A N SER 230.A O no hydrogen 3.085 N/A ASP 235.A N GLU 231.A O no hydrogen 2.818 N/A LYS 236.A N GLU 232.A O no hydrogen 2.832 N/A LYS 236.A NZ GLU 211.A OE1 no hydrogen 2.655 N/A TYR 237.A N LEU 233.A O no hydrogen 2.998 N/A TYR 237.A OH GLU 211.A OE1 no hydrogen 2.774 N/A GLU 238.A N ASP 235.A O no hydrogen 3.226 N/A VAL 239.A N ARG 234.A O no hydrogen 2.891 N/A GLN 240.A N CYS 218.A O no hydrogen 2.801 N/A GLN 240.A NE2 ASN 217.A O no hydrogen 3.581 N/A ILE 242.A N LEU 220.A O no hydrogen 2.911 N/A LEU 246.A N GLU 244.A OE1 no hydrogen 3.398 N/A LEU 246.A N GLU 244.A OE2 no hydrogen 3.358 N/A GLY 247.A N GLU 244.A OE1 no hydrogen 2.798 N/A ILE 248.A N GLU 244.A OE2 no hydrogen 2.907 N/A THR 250.A N LEU 246.A O no hydrogen 3.006 N/A THR 250.A OG1 LEU 246.A O no hydrogen 2.697 N/A ALA 251.A N GLY 247.A O no hydrogen 2.883 N/A SER 252.A N ILE 248.A O no hydrogen 3.049 N/A SER 252.A OG TYR 38.A OH no hydrogen 2.613 N/A SER 252.A OG CYS 123.A O no hydrogen 2.676 N/A MET 253.A N GLY 249.A O no hydrogen 3.156 N/A LEU 254.A N THR 250.A O no hydrogen 3.096 N/A TYR 255.A N ALA 251.A O no hydrogen 2.989 N/A SER 256.A N SER 252.A O no hydrogen 3.035 N/A SER 256.A OG MET 253.A O no hydrogen 2.659 N/A VAL 257.A N MET 253.A O no hydrogen 3.296 N/A VAL 257.A N LEU 254.A O no hydrogen 3.191 N/A LEU 258.A N TYR 255.A O no hydrogen 3.473 N/A