Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4uat_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): GLU 3.A N ARG 170.A O no hydrogen 2.809 N/A ILE 5.A N ARG 110.A O.A no hydrogen 2.965 N/A ILE 5.A N ARG 110.A O.B no hydrogen 3.005 N/A LEU 6.A N VAL 172.A O no hydrogen 2.873 N/A PHE 7.A N ALA 112.A O no hydrogen 2.833 N/A ASP 8.A N LEU 174.A O no hydrogen 3.008 N/A ASN 10.A ND2 THR 117.A OG1 no hydrogen 3.004 N/A GLY 11.A N ALA 14.A O no hydrogen 2.903 N/A THR 12.A N VAL 9.A O no hydrogen 3.042 N/A THR 12.A OG1 ASP 8.A OD2 no hydrogen 2.808 N/A THR 12.A OG1 ASP 176.A OD1 no hydrogen 3.245 N/A LEU 13.A N VAL 9.A O no hydrogen 2.967 N/A THR 16.A OG1 ASN 10.A OD1 no hydrogen 2.681 N/A HIS 20.A N THR 16.A O no hydrogen 2.955 N/A HIS 20.A NE2 ASN 10.A OD1 no hydrogen 2.796 N/A ARG 21.A N GLU 17.A O no hydrogen 2.839 N/A ARG 21.A NE GLU 18.A OE1 no hydrogen 2.791 N/A ARG 21.A NH1 TRP 37.A O no hydrogen 2.911 N/A ARG 21.A NH2 GLU 18.A OE2 no hydrogen 2.979 N/A ARG 22.A N GLU 18.A O no hydrogen 2.989 N/A ARG 22.A NE GLU 26.A OE2 no hydrogen 2.784 N/A ALA 23.A N LEU 19.A O no hydrogen 2.907 N/A PHE 24.A N HIS 20.A O no hydrogen 2.871 N/A ASN 25.A N ARG 21.A O no hydrogen 2.862 N/A ASN 25.A ND2 TRP 37.A O no hydrogen 2.977 N/A GLU 26.A N ARG 22.A O no hydrogen 2.825 N/A THR 27.A N ALA 23.A O no hydrogen 3.062 N/A THR 27.A OG1 ALA 23.A O no hydrogen 2.715 N/A PHE 28.A N PHE 24.A O no hydrogen 2.903 N/A ALA 29.A N ASN 25.A O no hydrogen 2.976 N/A ALA 30.A N GLU 26.A O no hydrogen 2.970 N/A LEU 31.A N THR 27.A O no hydrogen 2.952 N/A LEU 31.A N PHE 28.A O no hydrogen 3.170 N/A GLY 32.A N ALA 29.A O no hydrogen 2.962 N/A VAL 33.A N PHE 28.A O no hydrogen 3.277 N/A ASP 34.A N ASP 65.A OD2 no hydrogen 2.868 N/A TRP 35.A NE1 ASP 65.A O no hydrogen 2.822 N/A TRP 37.A N ASN 25.A OD1 no hydrogen 2.802 N/A ARG 39.A NE GLU 18.A OE2 no hydrogen 2.830 N/A ARG 39.A NH2 GLU 18.A OE2 no hydrogen 3.061 N/A GLU 41.A N ASP 38.A OD1 no hydrogen 2.967 N/A TYR 42.A N ASP 38.A O no hydrogen 2.833 N/A TYR 42.A OH GLU 17.A OE1 no hydrogen 2.672 N/A ARG 43.A N ARG 39.A O no hydrogen 2.854 N/A ARG 43.A NH2 PHE 197.A O no hydrogen 2.806 N/A LEU 45.A N GLU 41.A O no hydrogen 2.984 N/A LEU 46.A N TYR 42.A O no hydrogen 2.846 N/A THR 47.A N GLU 44.A O no hydrogen 3.123 N/A THR 47.A OG1 GLU 44.A O no hydrogen 3.022 N/A THR 48.A N LEU 45.A O no hydrogen 3.096 N/A THR 49.A OG1 LYS 151.A O no hydrogen 2.756 N/A LYS 52.A NZ ASP 145.A OD1 no hydrogen 3.138 N/A LYS 52.A NZ ASP 145.A OD2 no hydrogen 2.902 N/A GLU 53.A N GLU 53.A OE1 no hydrogen 2.754 N/A ARG 54.A N GLY 50.A O no hydrogen 2.833 N/A ARG 54.A NE LEU 45.A O no hydrogen 3.091 N/A ARG 54.A NH2 THR 48.A O no hydrogen 2.807 N/A ILE 55.A N GLY 51.A O no hydrogen 2.932 N/A ALA 56.A N LYS 52.A O no hydrogen 2.883 N/A ARG 57.A N GLU 53.A O no hydrogen 2.945 N/A ARG 57.A NH1 GLU 44.A O no hydrogen 3.179 N/A ARG 57.A NH1 THR 47.A OG1 no hydrogen 2.975 N/A ARG 57.A NH1 THR 48.A OG1 no hydrogen 2.854 N/A ARG 57.A NH2 GLU 44.A O no hydrogen 3.262 N/A PHE 58.A N ARG 54.A O no hydrogen 3.002 N/A LEU 59.A N ILE 55.A O no hydrogen 2.865 N/A ARG 60.A N ALA 56.A O no hydrogen 3.030 N/A ARG 60.A N ARG 57.A O no hydrogen 3.233 N/A GLN 62.A N PHE 58.A O no hydrogen 3.044 N/A GLN 62.A NE2 ASP 65.A O no hydrogen 2.855 N/A LYS 63.A NZ HIS 61.A O no hydrogen 2.891 N/A GLY 64.A N GLN 62.A OE1 no hydrogen 2.796 N/A ASP 65.A N ASP 34.A OD1 no hydrogen 2.869 N/A ILE 74.A N PRO 70.A O no hydrogen 3.083 N/A HIS 75.A N ILE 71.A O no hydrogen 2.809 N/A ARG 76.A N ALA 72.A O no hydrogen 2.889 N/A ARG 76.A NH1 ASP 73.A OD1 no hydrogen 2.607 N/A ARG 76.A NH2 ASP 73.A OD1 no hydrogen 3.222 N/A ALA 77.A N ASP 73.A O no hydrogen 3.200 N/A LYS 78.A N ILE 74.A O no hydrogen 3.017 N/A LYS 78.A NZ HIS 20.A ND1 no hydrogen 2.823 N/A THR 79.A N HIS 75.A O no hydrogen 2.834 N/A THR 79.A OG1 HIS 75.A O no hydrogen 3.029 N/A GLU 80.A N ARG 76.A O no hydrogen 3.001 N/A ARG 81.A N.A ALA 77.A O no hydrogen 3.093 N/A ARG 81.A N.B ALA 77.A O no hydrogen 3.088 N/A ARG 81.A NH1.A GLU 26.A OE1 no hydrogen 3.235 N/A ARG 81.A NH2.B GLU 26.A OE1 no hydrogen 3.285 N/A PHE 82.A N LYS 78.A O no hydrogen 2.893 N/A VAL 83.A N THR 79.A O no hydrogen 2.848 N/A ALA 84.A N GLU 80.A O no hydrogen 3.050 N/A LEU 85.A N ARG 81.A O.A no hydrogen 2.902 N/A LEU 85.A N ARG 81.A O.B no hydrogen 2.909 N/A MET 86.A N PHE 82.A O no hydrogen 2.911 N/A ALA 87.A N VAL 83.A O no hydrogen 3.082 N/A GLU 88.A N LEU 85.A O no hydrogen 3.108 N/A GLY 89.A N MET 86.A O no hydrogen 3.377 N/A ARG 94.A N LEU 13.A O no hydrogen 2.884 N/A ARG 94.A NH1 GLY 11.A O no hydrogen 2.840 N/A ARG 94.A NH1 SER 194.A O no hydrogen 2.821 N/A ARG 94.A NH2 SER 194.A OG no hydrogen 2.925 N/A ILE 97.A N ARG 94.A O no hydrogen 3.216 N/A LEU 100.A N GLY 96.A O no hydrogen 3.068 N/A ILE 101.A N ILE 97.A O no hydrogen 3.002 N/A ALA 102.A N ALA 98.A O no hydrogen 2.928 N/A GLU 103.A N.A ASP 99.A O no hydrogen 2.947 N/A GLU 103.A N.B ASP 99.A O no hydrogen 2.903 N/A ALA 104.A N LEU 100.A O no hydrogen 2.797 N/A LYS 105.A N ILE 101.A O no hydrogen 2.937 N/A LYS 105.A NZ ILE 137.A O no hydrogen 2.793 N/A ARG 106.A N.A ALA 102.A O no hydrogen 3.026 N/A ARG 106.A N.B ALA 102.A O no hydrogen 3.021 N/A ALA 107.A N GLU 103.A O.A no hydrogen 2.963 N/A ALA 107.A N GLU 103.A O.B no hydrogen 3.036 N/A GLY 108.A N LYS 105.A O no hydrogen 3.041 N/A ILE 109.A N ALA 104.A O no hydrogen 2.922 N/A ARG 110.A N.A GLU 3.A O no hydrogen 3.270 N/A ARG 110.A N.B GLU 3.A O no hydrogen 3.290 N/A ARG 110.A NE.B LEU 164.A O no hydrogen 3.041 N/A ARG 110.A NH1.A LEU 164.A O no hydrogen 2.985 N/A LEU 111.A N ASP 139.A OD2 no hydrogen 2.855 N/A ALA 112.A N ILE 5.A O no hydrogen 2.926 N/A VAL 113.A N VAL 140.A O no hydrogen 2.967 N/A ALA 114.A N PHE 7.A O no hydrogen 2.899 N/A THR 115.A N ALA 142.A O no hydrogen 2.928 N/A THR 117.A N THR 115.A OG1 no hydrogen 2.936 N/A ASN 121.A N SER 118.A O no hydrogen 2.947 N/A ASN 121.A ND2 THR 117.A OG1 no hydrogen 2.937 N/A GLU 123.A N LEU 119.A O no hydrogen 3.115 N/A ALA 124.A N PRO 120.A O no hydrogen 2.876 N/A LEU 125.A N ASN 121.A O no hydrogen 2.962 N/A CYS 126.A N VAL 122.A O no hydrogen 2.977 N/A CYS 126.A SG VAL 122.A O no hydrogen 3.416 N/A ARG 127.A N GLU 123.A O no hydrogen 2.937 N/A ARG 127.A NE GLU 123.A OE1 no hydrogen 3.024 N/A ARG 127.A NH2 GLU 123.A OE1 no hydrogen 3.186 N/A ALA 128.A N ALA 124.A O no hydrogen 2.935 N/A CYS 129.A N LEU 125.A O no hydrogen 2.864 N/A CYS 129.A SG ILE 91.A O no hydrogen 3.685 N/A PHE 130.A N CYS 126.A O no hydrogen 2.811 N/A GLY 131.A N CYS 126.A O no hydrogen 3.175 N/A GLY 131.A N ARG 127.A O no hydrogen 3.145 N/A ALA 134.A N GLU 123.A OE1 no hydrogen 2.947 N/A GLU 136.A N PRO 133.A O no hydrogen 2.930 N/A ILE 137.A N ALA 134.A O no hydrogen 2.979 N/A PHE 138.A N ALA 134.A O no hydrogen 2.943 N/A ASP 139.A N LEU 111.A O no hydrogen 2.818 N/A VAL 140.A N LEU 111.A O no hydrogen 3.248 N/A ALA 142.A N VAL 113.A O no hydrogen 2.887 N/A MET 146.A N ALA 143.A O no hydrogen 3.079 N/A LYS 150.A NZ GLU 53.A OE2 no hydrogen 2.747 N/A LYS 150.A NZ ASP 145.A OD1 no hydrogen 2.742 N/A LYS 151.A NZ ALA 114.A O no hydrogen 2.839 N/A LYS 151.A NZ GLU 175.A OE2 no hydrogen 2.775 N/A SER 153.A N LYS 150.A O no hydrogen 2.905 N/A ASP 155.A N SER 153.A OG no hydrogen 3.126 N/A TYR 157.A OH GLU 175.A OE2 no hydrogen 2.626 N/A ARG 158.A N PRO 154.A O no hydrogen 2.985 N/A ARG 158.A NH1 ASP 155.A OD1 no hydrogen 2.941 N/A ARG 158.A NH2 GLY 186.A O no hydrogen 3.559 N/A LEU 159.A N ASP 155.A O no hydrogen 2.907 N/A ALA 160.A N ILE 156.A O no hydrogen 3.105 N/A LEU 161.A N TYR 157.A O no hydrogen 2.875 N/A ARG 162.A N ARG 158.A O no hydrogen 2.992 N/A GLU 163.A N LEU 159.A O no hydrogen 2.993 N/A LEU 164.A N ALA 160.A O no hydrogen 2.843 N/A ASP 165.A N ARG 162.A O no hydrogen 3.253 N/A GLU 169.A N GLU 169.A OE1 no hydrogen 2.836 N/A ARG 170.A N PRO 167.A O no hydrogen 2.991 N/A ARG 170.A NH1 GLU 3.A OE2 no hydrogen 3.124 N/A ALA 171.A N PRO 168.A O no hydrogen 3.062 N/A VAL 172.A N ALA 4.A O no hydrogen 3.278 N/A ALA 173.A N ARG 190.A O no hydrogen 2.940 N/A LEU 174.A N LEU 6.A O no hydrogen 2.898 N/A GLU 175.A N ILE 192.A O no hydrogen 3.003 N/A ASP 176.A N GLU 175.A OE1 no hydrogen 3.353 N/A LEU 178.A N GLU 202.A OE1 no hydrogen 2.843 N/A GLY 180.A N SER 177.A OG no hydrogen 3.141 N/A LEU 181.A N SER 177.A O no hydrogen 2.914 N/A ARG 182.A N LEU 178.A O no hydrogen 2.866 N/A ALA 183.A N ASN 179.A O no hydrogen 3.047 N/A ALA 184.A N GLY 180.A O no hydrogen 2.898 N/A LYS 185.A N LEU 181.A O no hydrogen 2.884 N/A LYS 185.A NZ ASP 208.A OD2 no hydrogen 2.565 N/A GLY 186.A N ARG 182.A O no hydrogen 2.900 N/A ALA 187.A N ALA 183.A O no hydrogen 3.208 N/A ALA 187.A N ALA 184.A O no hydrogen 3.017 N/A GLY 188.A N LYS 185.A O no hydrogen 2.938 N/A LEU 189.A N ALA 184.A O no hydrogen 3.069 N/A ARG 190.A NH1 LEU 223.A O no hydrogen 3.034 N/A ARG 190.A NH2 LEU 223.A O no hydrogen 2.855 N/A CYS 191.A N ASP 208.A OD2 no hydrogen 2.846 N/A CYS 191.A SG ALA 173.A O no hydrogen 3.883 N/A ILE 192.A N ALA 173.A O no hydrogen 2.857 N/A VAL 193.A N ARG 209.A O no hydrogen 2.979 N/A SER 194.A N GLU 175.A O no hydrogen 3.006 N/A SER 194.A OG LEU 211.A O no hydrogen 2.759 N/A GLY 196.A N THR 199.A OG1 no hydrogen 2.937 N/A TYR 198.A OH GLU 18.A OE1 no hydrogen 2.602 N/A THR 199.A N GLY 196.A O no hydrogen 2.967 N/A THR 199.A OG1 ASP 176.A O no hydrogen 2.880 N/A THR 199.A OG1 GLY 196.A O no hydrogen 3.425 N/A ARG 200.A N GLY 196.A O no hydrogen 2.832 N/A GLU 202.A N THR 199.A O no hydrogen 3.003 N/A ALA 207.A N PHE 204.A O no hydrogen 3.045 N/A ASP 208.A N CYS 191.A O no hydrogen 2.828 N/A ARG 209.A NH1 LEU 217.A O no hydrogen 2.945 N/A ARG 209.A NH1 GLY 222.A O no hydrogen 2.921 N/A ARG 209.A NH2 GLU 216.A O no hydrogen 3.207 N/A LEU 211.A N VAL 193.A O no hydrogen 2.849 N/A SER 213.A N GLU 216.A OE1 no hydrogen 3.228 N/A ALA 215.A N SER 213.A OG no hydrogen 3.008 N/A GLU 216.A N SER 213.A O no hydrogen 2.972 N/A LEU 217.A N PHE 214.A O no hydrogen 3.076 N/A LEU 220.A N GLU 103.A OE1.A no hydrogen 3.000 N/A LEU 220.A N GLU 103.A OE2.A no hydrogen 3.204 N/A GLY 222.A N GLY 219.A O no hydrogen 2.891 N/A LEU 223.A N LEU 220.A O no hydrogen 2.995 N/A ASP 224.A N ALA 221.A O no hydrogen 3.175 N/A