Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3usr_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): MET 1.A N SER 32.A O no hydrogen 3.107 N/A ALA 5.A N LYS 97.A O no hydrogen 3.349 N/A PHE 6.A N ARG 34.A O no hydrogen 2.813 N/A VAL 7.A N VAL 99.A O no hydrogen 2.820 N/A THR 8.A N ALA 36.A O no hydrogen 2.927 N/A THR 8.A OG1 MET 101.A O no hydrogen 2.598 N/A LEU 9.A N THR 8.A OG1 no hydrogen 2.712 N/A THR 10.A N LEU 38.A O no hydrogen 2.835 N/A TYR 15.A N ASN 12.A OD1 no hydrogen 2.856 N/A ALA 16.A N ASN 12.A O no hydrogen 3.048 N/A LYS 17.A N ASP 13.A O no hydrogen 3.241 N/A LYS 17.A N ALA 14.A O no hydrogen 3.164 N/A ALA 19.A N TYR 15.A O no hydrogen 2.709 N/A LEU 20.A N ALA 16.A O no hydrogen 2.702 N/A VAL 21.A N LYS 17.A O no hydrogen 2.847 N/A LEU 22.A N GLY 18.A O no hydrogen 2.720 N/A GLY 23.A N ALA 19.A O no hydrogen 2.848 N/A SER 24.A N LEU 20.A O no hydrogen 2.979 N/A SER 24.A OG LEU 20.A O no hydrogen 2.624 N/A SER 25.A N VAL 21.A O no hydrogen 2.751 N/A SER 25.A OG VAL 21.A O no hydrogen 3.513 N/A SER 25.A OG LEU 22.A O no hydrogen 2.589 N/A LEU 26.A N LEU 22.A O no hydrogen 2.891 N/A LYS 27.A N GLY 23.A O no hydrogen 3.033 N/A GLN 28.A N SER 24.A O no hydrogen 2.773 N/A GLN 28.A NE2 HIS 29.A NE2 no hydrogen 3.664 N/A HIS 29.A N SER 25.A O no hydrogen 3.072 N/A ARG 30.A N LYS 27.A O no hydrogen 2.928 N/A THR 31.A N LEU 26.A O no hydrogen 3.176 N/A THR 31.A OG1 ASP 112.A OD1 no hydrogen 2.554 N/A THR 31.A OG1 ASP 112.A OD2 no hydrogen 3.374 N/A SER 32.A N ASP 112.A OD2 no hydrogen 2.876 N/A SER 32.A OG ASP 112.A OD2 no hydrogen 3.324 N/A ARG 33.A N THR 31.A OG1 no hydrogen 3.082 N/A ARG 33.A NE GLN 4.A OE1 no hydrogen 2.817 N/A ARG 33.A NH1 SER 32.A OG no hydrogen 2.898 N/A ARG 33.A NH2 GLN 4.A OE1 no hydrogen 2.948 N/A ARG 34.A N GLN 4.A O no hydrogen 2.871 N/A LEU 35.A N ASP 56.A OD2 no hydrogen 2.837 N/A ALA 36.A N PHE 6.A O no hydrogen 2.736 N/A VAL 37.A N GLU 57.A O no hydrogen 2.826 N/A LEU 38.A N THR 8.A O no hydrogen 2.770 N/A THR 39.A N ILE 59.A O no hydrogen 2.594 N/A THR 39.A OG1 ILE 59.A O no hydrogen 3.218 N/A THR 40.A OG1 THR 11.A O no hydrogen 2.850 N/A THR 40.A OG1 GLN 42.A OE1 no hydrogen 3.397 N/A GLN 42.A N THR 40.A OG1 no hydrogen 3.335 N/A VAL 43.A N THR 40.A O no hydrogen 3.060 N/A SER 44.A N ASP 13.A OD1 no hydrogen 2.781 N/A SER 44.A OG ASP 13.A OD1 no hydrogen 3.309 N/A SER 44.A OG ASP 13.A OD2 no hydrogen 3.304 N/A SER 44.A OG THR 46.A OG1 no hydrogen 3.374 N/A THR 46.A OG1 SER 44.A OG no hydrogen 3.374 N/A ARG 48.A N SER 44.A O no hydrogen 2.898 N/A LYS 49.A N ASP 45.A O no hydrogen 2.795 N/A ALA 50.A N THR 46.A O no hydrogen 3.008 N/A LEU 51.A N MET 47.A O no hydrogen 2.762 N/A GLU 52.A N ARG 48.A O no hydrogen 2.837 N/A ILE 53.A N ALA 50.A O no hydrogen 3.051 N/A VAL 54.A N ALA 50.A O no hydrogen 3.026 N/A PHE 55.A N LEU 51.A O no hydrogen 2.740 N/A GLU 57.A N LEU 35.A O no hydrogen 3.060 N/A ILE 59.A N VAL 37.A O no hydrogen 2.771 N/A VAL 61.A N THR 39.A O no hydrogen 2.569 N/A LEU 64.A N ASP 62.A OD1 no hydrogen 3.258 N/A ASP 65.A N ASP 62.A O no hydrogen 3.006 N/A GLY 67.A N ASP 65.A OD1 no hydrogen 2.428 N/A ASP 68.A N ASP 65.A O no hydrogen 2.963 N/A SER 69.A OG TYR 146.A OH no hydrogen 2.745 N/A ALA 70.A N ASP 68.A OD1 no hydrogen 2.708 N/A HIS 71.A N ASP 68.A O no hydrogen 2.944 N/A HIS 71.A ND1 ILE 63.A O no hydrogen 2.645 N/A LEU 74.A N ALA 70.A O no hydrogen 2.958 N/A MET 75.A N HIS 71.A O no hydrogen 3.080 N/A LYS 76.A N LEU 72.A O no hydrogen 3.093 N/A LYS 76.A NZ SER 154.A O no hydrogen 2.833 N/A ARG 77.A N THR 73.A O no hydrogen 2.709 N/A ARG 77.A NE SER 154.A O no hydrogen 2.884 N/A ARG 77.A NH2 SER 154.A O no hydrogen 2.846 N/A GLU 79.A N GLU 79.A OE2 no hydrogen 2.662 N/A LEU 80.A N ARG 77.A O no hydrogen 3.004 N/A GLY 81.A N PRO 78.A O no hydrogen 3.413 N/A LEU 84.A N LEU 80.A O no hydrogen 2.753 N/A THR 85.A N GLY 81.A O no hydrogen 2.987 N/A THR 85.A OG1 GLY 81.A O no hydrogen 2.827 N/A LYS 86.A N VAL 82.A O no hydrogen 2.822 N/A LYS 86.A NZ ASP 102.A OD1 no hydrogen 2.795 N/A LYS 86.A NZ SER 134.A O no hydrogen 2.674 N/A LYS 86.A NZ ASP 163.A OD2 no hydrogen 2.638 N/A LEU 87.A N THR 83.A O no hydrogen 2.793 N/A HIS 88.A N THR 85.A O no hydrogen 3.083 N/A HIS 88.A ND1 LEU 84.A O no hydrogen 2.818 N/A HIS 88.A NE2 ASP 68.A OD2 no hydrogen 2.693 N/A CYS 89.A N LYS 86.A O no hydrogen 2.768 N/A CYS 89.A SG LYS 86.A O no hydrogen 3.111 N/A TRP 90.A N LEU 87.A O no hydrogen 2.993 N/A TRP 90.A NE1 GLU 119.A OE1 no hydrogen 2.770 N/A SER 91.A N HIS 88.A O no hydrogen 2.850 N/A LEU 92.A N CYS 89.A O no hydrogen 3.326 N/A THR 93.A N SER 91.A O no hydrogen 2.828 N/A TYR 95.A N LEU 92.A O no hydrogen 2.833 N/A SER 96.A N ASP 3.A O no hydrogen 2.567 N/A SER 96.A OG ASP 3.A O no hydrogen 3.164 N/A SER 96.A OG ASP 3.A OD2 no hydrogen 2.851 N/A LYS 97.A NZ PHE 115.A O no hydrogen 2.877 N/A LYS 97.A NZ ARG 117.A O no hydrogen 2.758 N/A CYS 98.A N TYR 139.A O no hydrogen 2.907 N/A CYS 98.A SG TYR 139.A OH no hydrogen 3.712 N/A VAL 99.A N ALA 5.A O no hydrogen 3.016 N/A PHE 100.A N PHE 137.A O no hydrogen 2.699 N/A MET 101.A N VAL 7.A O no hydrogen 2.762 N/A ASP 102.A N GLY 135.A O no hydrogen 2.744 N/A THR 105.A N ASP 102.A O no hydrogen 3.032 N/A THR 105.A OG1 ASP 102.A O no hydrogen 2.718 N/A LEU 106.A N VAL 211.A O no hydrogen 2.757 N/A VAL 107.A N SER 25.A OG no hydrogen 3.039 N/A LEU 108.A N LYS 209.A O no hydrogen 2.581 N/A LEU 114.A N ILE 111.A O no hydrogen 2.886 N/A PHE 115.A N ASP 112.A O no hydrogen 3.081 N/A GLU 116.A N ASP 113.A O no hydrogen 3.180 N/A ARG 117.A N LEU 114.A O no hydrogen 2.890 N/A ARG 117.A NH1.A ARG 180.A O no hydrogen 2.777 N/A SER 121.A N VAL 138.A O no hydrogen 3.280 N/A SER 121.A OG GLU 118.A O no hydrogen 2.448 N/A ALA 122.A N LYS 181.A O no hydrogen 2.914 N/A ASP 125.A N CYS 131.A O no hydrogen 2.816 N/A CYS 131.A N TRP 128.A O no hydrogen 2.816 N/A PHE 132.A N ASN 168.A OD1 no hydrogen 2.849 N/A ASN 133.A N ALA 123.A O no hydrogen 2.759 N/A ASN 133.A ND2 ASP 125.A OD2 no hydrogen 2.739 N/A SER 134.A OG ASP 163.A OD2 no hydrogen 2.564 N/A GLY 135.A N ASN 133.A OD1 no hydrogen 2.807 N/A PHE 137.A N PHE 100.A O no hydrogen 2.925 N/A VAL 138.A N SER 121.A O no hydrogen 2.790 N/A TYR 139.A N CYS 98.A O no hydrogen 2.839 N/A TYR 139.A OH CYS 89.A O no hydrogen 2.659 N/A GLN 140.A N GLU 119.A OE1 no hydrogen 2.574 N/A SER 142.A N TRP 90.A O no hydrogen 2.784 N/A SER 142.A OG THR 145.A OG1 no hydrogen 3.155 N/A THR 145.A N SER 142.A OG no hydrogen 2.813 N/A THR 145.A OG1 SER 142.A OG no hydrogen 3.155 N/A TYR 146.A N SER 142.A O no hydrogen 2.861 N/A TYR 146.A OH SER 69.A OG no hydrogen 2.745 N/A ASN 147.A N VAL 143.A O no hydrogen 2.759 N/A GLN 148.A N GLU 144.A O no hydrogen 2.819 N/A LEU 149.A N THR 145.A O no hydrogen 2.762 N/A LEU 150.A N TYR 146.A O no hydrogen 2.798 N/A HIS 151.A N ASN 147.A O no hydrogen 2.949 N/A VAL 152.A N GLN 148.A O no hydrogen 2.990 N/A ALA 153.A N LEU 149.A O no hydrogen 2.836 N/A SER 154.A N LEU 150.A O no hydrogen 2.778 N/A GLU 155.A N HIS 151.A O no hydrogen 2.798 N/A GLN 156.A N VAL 152.A O no hydrogen 2.731 N/A GLY 157.A N VAL 152.A O no hydrogen 3.237 N/A GLY 157.A N ALA 153.A O no hydrogen 3.009 N/A SER 158.A OG ASP 160.A OD1 no hydrogen 2.725 N/A SER 158.A OG GLY 162.A O no hydrogen 2.470 N/A ASP 160.A N SER 158.A OG no hydrogen 3.369 N/A GLY 161.A N SER 158.A O no hydrogen 3.042 N/A GLY 162.A N ASP 160.A OD1 no hydrogen 2.792 N/A GLY 165.A N ASP 160.A OD1 no hydrogen 2.896 N/A LEU 167.A N ASP 163.A O no hydrogen 2.887 N/A ASN 168.A N GLN 164.A O no hydrogen 2.921 N/A ASN 168.A ND2 PHE 132.A O no hydrogen 2.799 N/A ASN 168.A ND2 GLN 164.A O no hydrogen 2.991 N/A THR 169.A N GLY 165.A O no hydrogen 2.905 N/A THR 169.A OG1 GLY 165.A O no hydrogen 2.928 N/A PHE 170.A N LEU 166.A O no hydrogen 2.832 N/A PHE 171.A N LEU 167.A O no hydrogen 2.728 N/A TRP 174.A NE1 ALA 122.A O no hydrogen 3.049 N/A TRP 174.A NE1 LYS 181.A O no hydrogen 2.722 N/A THR 176.A N SER 173.A O no hydrogen 3.157 N/A THR 176.A OG1 SER 173.A O no hydrogen 3.417 N/A THR 176.A OG1 THR 177.A OG1 no hydrogen 3.324 N/A THR 177.A OG1 SER 173.A O no hydrogen 2.972 N/A THR 177.A OG1 THR 176.A OG1 no hydrogen 3.324 N/A ARG 180.A N ASP 178.A OD1 no hydrogen 2.975 N/A LYS 181.A N ASP 178.A O no hydrogen 2.841 N/A LYS 181.A NZ GLU 119.A O no hydrogen 3.253 N/A HIS 182.A N ILE 179.A O no hydrogen 2.959 N/A HIS 182.A NE2 TRP 174.A O no hydrogen 3.189 N/A LEU 183.A N ALA 122.A O no hydrogen 2.824 N/A TYR 187.A N PRO 184.A O no hydrogen 2.830 N/A TYR 187.A OH ASP 113.A OD1 no hydrogen 2.827 N/A TYR 187.A OH ASP 113.A OD2 no hydrogen 2.636 N/A ASN 188.A N PHE 185.A O no hydrogen 2.986 N/A ASN 188.A ND2 ASN 133.A O no hydrogen 3.627 N/A ASN 188.A ND2 ASN 133.A OD1 no hydrogen 2.882 N/A LEU 189.A N VAL 210.A O no hydrogen 2.890 N/A SER 191.A N HIS 212.A O no hydrogen 2.842 N/A SER 191.A OG HIS 212.A O no hydrogen 3.203 N/A ILE 192.A N SER 190.A OG no hydrogen 3.234 N/A SER 193.A N SER 190.A O no hydrogen 2.939 N/A PHE 195.A N ILE 192.A O no hydrogen 2.844 N/A SER 196.A N ILE 192.A O no hydrogen 2.995 N/A TYR 197.A N SER 193.A O no hydrogen 3.255 N/A PHE 201.A N TYR 197.A O no hydrogen 3.132 N/A LYS 202.A N LEU 198.A O no hydrogen 2.787 N/A ALA 203.A N PRO 199.A O no hydrogen 2.807 N/A PHE 204.A N ALA 200.A O no hydrogen 2.746 N/A PHE 204.A N PHE 201.A O no hydrogen 3.235 N/A GLY 205.A N PHE 201.A O no hydrogen 2.572 N/A ASN 207.A N PHE 204.A O no hydrogen 3.150 N/A ALA 208.A N GLY 205.A O no hydrogen 2.831 N/A LYS 209.A N ILE 186.A O no hydrogen 2.729 N/A VAL 210.A N ILE 186.A O no hydrogen 2.933 N/A VAL 211.A N LEU 106.A O no hydrogen 2.807 N/A HIS 212.A N LEU 189.A O no hydrogen 2.765 N/A PHE 213.A N ASP 104.A O no hydrogen 2.789 N/A LEU 214.A N SER 191.A OG no hydrogen 2.902 N/A GLN 216.A N GLN 216.A OE1 no hydrogen 2.741 N/A LYS 218.A NZ ASP 104.A OD2 no hydrogen 2.729 N/A LYS 218.A NZ PHE 213.A O no hydrogen 2.698 N/A ASN 221.A N LYS 218.A O no hydrogen 2.798 N/A TYR 222.A N PRO 219.A O no hydrogen 3.145 N/A ASP 225.A N SER 230.A O no hydrogen 2.889 N/A LYS 227.A N ASP 225.A OD1 no hydrogen 2.766 N/A THR 228.A N ASP 225.A OD1 no hydrogen 3.083 N/A THR 228.A OG1 SER 230.A OG no hydrogen 2.979 N/A SER 230.A N ASP 225.A O no hydrogen 3.175 N/A SER 230.A OG THR 228.A OG1 no hydrogen 2.979 N/A VAL 231.A N ASN 240.A OD1 no hydrogen 2.902 N/A ARG 232.A N THR 223.A O no hydrogen 2.946 N/A ASN 240.A N PRO 236.A O no hydrogen 2.771 N/A VAL 241.A N GLN 237.A O no hydrogen 2.954 N/A TRP 242.A N PHE 238.A O no hydrogen 2.892 N/A TRP 243.A N LEU 239.A O no hydrogen 2.737 N/A TRP 243.A NE1 PRO 219.A O no hydrogen 2.606 N/A ASP 244.A N ASN 240.A O no hydrogen 2.882 N/A ILE 245.A N VAL 241.A O no hydrogen 3.060 N/A PHE 246.A N TRP 242.A O no hydrogen 2.917 N/A THR 247.A N TRP 243.A O no hydrogen 2.716 N/A THR 247.A OG1 TRP 243.A O no hydrogen 2.655 N/A THR 248.A N ASP 244.A O no hydrogen 2.650 N/A THR 248.A OG1 ASP 244.A O no hydrogen 2.729 N/A THR 248.A OG1 ASP 244.A OD1 no hydrogen 2.996 N/A SER 249.A N ILE 245.A O no hydrogen 2.786 N/A VAL 250.A N ILE 245.A O no hydrogen 3.247 N/A VAL 250.A N PHE 246.A O no hydrogen 3.126 N/A VAL 251.A N PHE 246.A O no hydrogen 2.769 N/A LEU 254.A N VAL 250.A O no hydrogen 3.019 N/A GLN 255.A N VAL 251.A O no hydrogen 2.879 N/A PHE 257.A N LEU 254.A O no hydrogen 3.485 N/A GLY 258.A N GLN 255.A O no hydrogen 3.451 N/A