Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4xfw_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): LYS 1.A N ASN 9.A OD1 no hydrogen 3.032 N/A LYS 1.A NZ HIS 63.A NE2 no hydrogen 3.257 N/A ASP 3.A N ASN 9.A O no hydrogen 2.891 N/A LYS 5.A N ASP 3.A OD1 no hydrogen 3.106 N/A GLY 10.A N LYS 7.A O no hydrogen 3.446 N/A ARG 13.A N GLY 10.A O no hydrogen 2.814 N/A TRP 14.A N PRO 11.A O no hydrogen 3.420 N/A TRP 14.A NE1 ASP 3.A O no hydrogen 2.897 N/A LYS 16.A N ARG 13.A O no hydrogen 2.844 N/A LEU 17.A N TRP 14.A O no hydrogen 3.141 N/A ASP 20.A N HIS 18.A ND1 no hydrogen 3.052 N/A PHE 21.A N HIS 18.A O no hydrogen 2.851 N/A GLU 22.A N LYS 19.A O no hydrogen 3.332 N/A CYS 24.A N PHE 21.A O no hydrogen 2.979 N/A CYS 24.A SG PHE 21.A O no hydrogen 3.231 N/A LYS 25.A N GLU 22.A O no hydrogen 3.029 N/A SER 26.A N GLU 22.A O no hydrogen 3.092 N/A SER 26.A OG GLU 22.A O no hydrogen 3.547 N/A GLY 27.A N VAL 23.A O.A no hydrogen 3.014 N/A GLY 27.A N VAL 23.A O.B no hydrogen 2.943 N/A SER 29.A N GLU 176.A OE2 no hydrogen 2.889 N/A GLN 30.A NE2 CYS 174.A O no hydrogen 3.148 N/A GLN 30.A NE2 GLU 176.A OE2 no hydrogen 2.891 N/A SER 31.A N SER 168.A OG no hydrogen 2.906 N/A SER 31.A OG SER 168.A O no hydrogen 3.348 N/A ILE 35.A N LEU 97.A O no hydrogen 2.781 N/A TYR 39.A N ILE 218.A O no hydrogen 2.821 N/A THR 41.A N LYS 220.A O no hydrogen 2.930 N/A THR 41.A OG1 LYS 220.A O no hydrogen 2.861 N/A GLN 42.A NE2 HIS 40.A O no hydrogen 2.803 N/A ASP 43.A N ASP 43.A OD1 no hydrogen 2.610 N/A ALA 45.A N SER 222.A O no hydrogen 2.828 N/A GLN 48.A N ASN 77.A O no hydrogen 3.046 N/A LYS 50.A N HIS 75.A O no hydrogen 2.738 N/A TYR 51.A OH HIS 111.A NE2 no hydrogen 2.663 N/A ALA 52.A N ASN 74.A OD1 no hydrogen 2.923 N/A SER 54.A N VAL 150.A O no hydrogen 3.014 N/A SER 54.A OG ALA 52.A O no hydrogen 2.805 N/A LYS 57.A N SER 69.A O no hydrogen 2.753 N/A PHE 60.A N LYS 67.A O no hydrogen 2.905 N/A THR 62.A N THR 65.A O no hydrogen 2.999 N/A THR 62.A OG1 HIS 63.A ND1 no hydrogen 2.976 N/A HIS 63.A ND1 THR 62.A OG1 no hydrogen 2.976 N/A HIS 64.A NE2 TRP 2.A O no hydrogen 2.923 N/A THR 65.A N THR 62.A O no hydrogen 2.962 N/A THR 65.A OG1 LEU 66.A O no hydrogen 3.275 N/A THR 65.A OG1 PHE 90.A O no hydrogen 2.650 N/A LYS 67.A N PHE 60.A O no hydrogen 2.818 N/A ALA 68.A N VAL 88.A O no hydrogen 2.818 N/A SER 69.A N ALA 58.A O no hydrogen 2.905 N/A PHE 70.A N ASP 86.A O no hydrogen 2.965 N/A THR 73.A N GLU 71.A O no hydrogen 2.823 N/A ASN 74.A ND2 SER 54.A OG no hydrogen 2.929 N/A HIS 75.A N LYS 50.A O no hydrogen 2.963 N/A ILE 76.A N TYR 83.A O no hydrogen 2.953 N/A ASN 77.A N GLN 48.A O no hydrogen 2.750 N/A ASN 77.A ND2 ASP 82.A OD1 no hydrogen 2.733 N/A TYR 78.A N HIS 81.A O no hydrogen 2.924 N/A ARG 79.A NE TYR 78.A OH no hydrogen 3.147 N/A ARG 79.A NH2 TYR 78.A OH no hydrogen 3.111 N/A HIS 81.A N TYR 78.A O no hydrogen 3.114 N/A HIS 81.A ND1 ARG 79.A O no hydrogen 3.189 N/A TYR 83.A N ILE 76.A O no hydrogen 2.765 N/A VAL 84.A N LYS 112.A O no hydrogen 2.932 N/A LEU 85.A N ASN 74.A O no hydrogen 2.827 N/A ASP 86.A N VAL 110.A O no hydrogen 2.809 N/A ASN 87.A ND2 ASP 86.A OD2 no hydrogen 2.824 N/A VAL 88.A N ALA 68.A O no hydrogen 2.944 N/A HIS 89.A N HIS 108.A O no hydrogen 3.085 N/A HIS 89.A ND1 ASN 87.A OD1 no hydrogen 2.862 N/A HIS 89.A NE2 HIS 91.A NE2 no hydrogen 3.008 N/A PHE 90.A N THR 65.A OG1 no hydrogen 2.981 N/A PHE 90.A N LEU 66.A O no hydrogen 3.274 N/A HIS 91.A N SER 106.A O no hydrogen 2.893 N/A HIS 91.A ND1 ASN 206.A O no hydrogen 2.870 N/A HIS 91.A NE2 HIS 89.A NE2 no hydrogen 3.008 N/A ALA 92.A N ASN 206.A OD1 no hydrogen 2.941 N/A MET 94.A N ARG 103.A O no hydrogen 2.915 N/A LEU 97.A N ILE 33.A O no hydrogen 3.227 N/A ILE 98.A N LYS 101.A O no hydrogen 3.238 N/A ASN 99.A N ILE 35.A O no hydrogen 2.760 N/A ASN 99.A ND2 TYR 38.A OH no hydrogen 2.852 N/A ASN 100.A N ASN 34.A OD1 no hydrogen 2.748 N/A LYS 101.A N ILE 98.A O no hydrogen 3.004 N/A LYS 101.A NZ ILE 98.A O no hydrogen 2.430 N/A SER 106.A N HIS 91.A O no hydrogen 2.833 N/A ALA 107.A N ILE 123.A O no hydrogen 2.891 N/A HIS 108.A N HIS 89.A O no hydrogen 2.841 N/A PHE 109.A N LEU 121.A O no hydrogen 2.751 N/A VAL 110.A N ASN 87.A O no hydrogen 2.952 N/A HIS 111.A N LEU 119.A O no hydrogen 2.786 N/A HIS 111.A ND1 LEU 119.A O no hydrogen 3.065 N/A HIS 111.A NE2 TYR 51.A OH no hydrogen 2.663 N/A LYS 112.A N VAL 84.A O no hydrogen 3.075 N/A ASP 113.A N ARG 117.A O no hydrogen 2.943 N/A LYS 115.A NZ HIS 81.A NE2 no hydrogen 2.913 N/A GLY 116.A N ASP 113.A O no hydrogen 2.988 N/A ARG 117.A N ASP 113.A OD1 no hydrogen 2.595 N/A ARG 117.A NE ASP 113.A OD2 no hydrogen 3.032 N/A ARG 117.A NH2 ASP 113.A OD2 no hydrogen 2.819 N/A LEU 119.A N HIS 111.A O no hydrogen 3.038 N/A VAL 120.A N ALA 179.A O no hydrogen 3.016 N/A LEU 121.A N PHE 109.A O no hydrogen 2.993 N/A ALA 122.A N PHE 181.A O no hydrogen 2.794 N/A ILE 123.A N ALA 107.A O no hydrogen 3.052 N/A PHE 125.A N LEU 105.A O no hydrogen 2.814 N/A GLU 126.A N LEU 187.A O no hydrogen 2.822 N/A GLY 128.A N VAL 189.A O no hydrogen 2.677 N/A LYS 129.A N GLU 188.A OE2 no hydrogen 2.788 N/A ASN 131.A N GLN 193.A OE1 no hydrogen 2.837 N/A ASN 131.A ND2 GLU 188.A O no hydrogen 2.963 N/A ASN 133.A N ASN 131.A OD1 no hydrogen 2.919 N/A ASN 133.A ND2 ASN 131.A OD1 no hydrogen 3.301 N/A LEU 134.A N ASN 131.A O no hydrogen 3.088 N/A ASP 135.A N PRO 132.A O no hydrogen 3.172 N/A ILE 137.A N LEU 134.A O no hydrogen 3.006 N/A LEU 138.A N LEU 134.A O no hydrogen 2.954 N/A GLU 139.A N ASP 135.A O no hydrogen 2.764 N/A GLY 140.A N PRO 136.A O no hydrogen 2.837 N/A ILE 141.A N ILE 137.A O no hydrogen 3.039 N/A GLN 142.A N GLU 139.A O no hydrogen 3.006 N/A GLN 142.A NE2 LEU 138.A O no hydrogen 3.480 N/A LYS 143.A N GLY 140.A O no hydrogen 3.018 N/A LYS 143.A NZ GLN 145.A O no hydrogen 3.111 N/A LYS 143.A NZ ASN 146.A O no hydrogen 3.062 N/A VAL 150.A N SER 54.A O no hydrogen 2.803 N/A LEU 152.A N VAL 150.A O no hydrogen 2.857 N/A ALA 154.A N ALA 151.A O no hydrogen 2.917 N/A ILE 160.A N ALA 223.A O no hydrogen 2.941 N/A ASN 161.A N GLU 185.A OE2 no hydrogen 3.106 N/A TYR 162.A N ARG 221.A O no hydrogen 2.778 N/A TYR 163.A N VAL 182.A O no hydrogen 2.794 N/A HIS 164.A N ILE 219.A O no hydrogen 2.859 N/A HIS 164.A ND1 TRP 180.A O no hydrogen 2.797 N/A HIS 164.A NE2 TYR 78.A OH no hydrogen 2.656 N/A PHE 165.A N TRP 180.A O no hydrogen 3.393 N/A GLY 167.A N VAL 178.A O no hydrogen 2.856 N/A SER 168.A N SER 31.A OG no hydrogen 2.927 N/A SER 168.A OG LEU 169.A O no hydrogen 2.760 N/A LEU 169.A N THR 175.A O no hydrogen 2.869 N/A THR 170.A OG1 GLU 95.A OE1 no hydrogen 2.572 N/A THR 170.A OG1 GLU 95.A OE2 no hydrogen 3.483 N/A CYS 174.A N ALA 171.A O no hydrogen 2.791 N/A VAL 178.A N GLY 167.A O no hydrogen 3.059 N/A ALA 179.A N LEU 118.A O no hydrogen 3.023 N/A TRP 180.A N PHE 165.A O no hydrogen 2.894 N/A TRP 180.A NE1 SER 168.A O no hydrogen 2.864 N/A PHE 181.A N VAL 120.A O no hydrogen 2.940 N/A VAL 182.A N TYR 163.A O no hydrogen 2.832 N/A VAL 183.A N ALA 122.A O no hydrogen 2.822 N/A GLU 184.A N ASN 161.A O no hydrogen 2.808 N/A GLU 185.A N GLU 185.A OE1 no hydrogen 2.357 N/A LEU 187.A N GLY 124.A O no hydrogen 2.811 N/A VAL 189.A N GLU 126.A O no hydrogen 3.129 N/A SER 190.A N GLN 193.A OE1 no hydrogen 3.167 N/A SER 190.A OG GLU 130.A OE2 no hydrogen 2.762 N/A GLN 193.A N SER 190.A OG no hydrogen 2.987 N/A GLN 193.A NE2 ASN 131.A O no hydrogen 2.892 N/A GLN 193.A NE2 ASP 135.A OD1 no hydrogen 3.237 N/A LEU 194.A N SER 190.A O no hydrogen 2.907 N/A ALA 195.A N ALA 191.A O no hydrogen 2.968 N/A GLU 196.A N LYS 192.A O no hydrogen 2.943 N/A ILE 197.A N GLN 193.A O no hydrogen 2.873 N/A LYS 198.A N LEU 194.A O no hydrogen 3.105 N/A LYS 199.A N ALA 195.A O no hydrogen 2.941 N/A ARG 200.A N GLU 196.A O no hydrogen 2.938 N/A MET 201.A N ILE 197.A O no hydrogen 3.147 N/A MET 201.A N LYS 198.A O no hydrogen 3.120 N/A LYS 202.A N LYS 199.A O no hydrogen 2.928 N/A ASN 203.A N LYS 198.A O no hydrogen 2.818 N/A SER 204.A N MET 201.A O no hydrogen 3.317 N/A ASN 206.A N ALA 92.A O no hydrogen 2.988 N/A ASN 206.A ND2 PHE 90.A O no hydrogen 2.945 N/A GLN 207.A NE2 MET 94.A O no hydrogen 2.764 N/A ARG 208.A N GLU 95.A OE2 no hydrogen 2.768 N/A ARG 208.A NH1 GLN 30.A OE1 no hydrogen 2.862 N/A ARG 208.A NH1 SER 31.A O no hydrogen 2.921 N/A ARG 208.A NH2 GLN 30.A OE1 no hydrogen 2.959 N/A GLN 211.A N PRO 32.A O no hydrogen 2.869 N/A GLN 211.A NE2 PRO 209.A O no hydrogen 2.854 N/A THR 216.A N ASP 213.A OD1 no hydrogen 2.838 N/A THR 216.A OG1 ASP 213.A OD1 no hydrogen 2.749 N/A ILE 219.A N HIS 164.A O no hydrogen 2.949 N/A LYS 220.A N TYR 39.A O no hydrogen 2.805 N/A LYS 220.A NZ TYR 163.A OH no hydrogen 3.368 N/A LYS 220.A NZ GLU 184.A OE2 no hydrogen 2.633 N/A ARG 221.A N TYR 162.A O no hydrogen 2.887 N/A ARG 221.A NH1 THR 41.A OG1 no hydrogen 2.989 N/A ARG 221.A NH1 ASP 43.A OD1 no hydrogen 2.959 N/A ARG 221.A NH1 ASP 43.A OD2 no hydrogen 3.309 N/A ARG 221.A NH2 ASP 43.A OD2 no hydrogen 2.570 N/A SER 222.A OG ASN 161.A OD1 no hydrogen 2.371 N/A ALA 223.A N ILE 160.A O no hydrogen 2.936 N/A THR 225.A N LYS 158.A O no hydrogen 2.812 N/A THR 225.A OG1 PRO 157.A O no hydrogen 2.685 N/A THR 225.A OG1 LYS 158.A O no hydrogen 3.291 N/A ARG 226.A NH1 LEU 156.A O no hydrogen 3.115 N/A