Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3u1p_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ALA 6.A N GLN 103.A O no hydrogen 2.784 N/A THR 11.A N PHE 97.A O no hydrogen 2.930 N/A THR 11.A OG1 PHE 97.A O no hydrogen 3.358 N/A MET 12.A N ASP 34.A OD1 no hydrogen 2.972 N/A MET 16.A N ALA 30.A O no hydrogen 2.809 N/A GLY 18.A N GLU 21.A OE2 no hydrogen 2.416 N/A ASP 19.A N ALA 6.A O no hydrogen 2.666 N/A GLY 20.A N HIS 105.A O no hydrogen 2.646 N/A GLU 21.A N GLY 18.A O no hydrogen 3.104 N/A VAL 23.A N THR 107.A O no hydrogen 2.993 N/A GLY 24.A N ARG 229.A O no hydrogen 2.699 N/A GLY 26.A N GLY 230.A O no hydrogen 2.762 N/A GLU 27.A N GLY 24.A O no hydrogen 3.169 N/A VAL 29.A N TRP 69.A O no hydrogen 2.849 N/A ALA 30.A N MET 16.A O no hydrogen 2.778 N/A ILE 31.A N VAL 67.A O no hydrogen 2.920 N/A ARG 32.A N TYR 14.A O no hydrogen 2.826 N/A PHE 33.A N ARG 65.A O no hydrogen 2.599 N/A ASP 34.A N MET 12.A O no hydrogen 3.288 N/A ILE 37.A N ASN 64.A O no hydrogen 2.945 N/A ASP 39.A N LEU 92.A O no hydrogen 2.737 N/A ARG 40.A NH1 ASN 263.A O no hydrogen 2.662 N/A ALA 42.A N ASP 39.A OD1 no hydrogen 3.066 N/A ALA 43.A N ASP 39.A O no hydrogen 3.166 N/A GLU 44.A N ARG 40.A O no hydrogen 2.856 N/A LYS 45.A N GLY 41.A O no hydrogen 2.918 N/A ALA 46.A N ALA 42.A O no hydrogen 2.977 N/A ALA 46.A N ALA 43.A O no hydrogen 3.215 N/A ILE 47.A N GLU 44.A O no hydrogen 3.075 N/A LYS 48.A N ALA 84.A O no hydrogen 2.800 N/A THR 50.A N ASP 82.A O no hydrogen 3.048 N/A THR 51.A OG1 PRO 53.A O no hydrogen 3.181 N/A ASN 52.A N ALA 80.A O no hydrogen 3.103 N/A VAL 55.A N THR 51.A OG1 no hydrogen 2.946 N/A ALA 58.A N ARG 70.A O no hydrogen 3.249 N/A TYR 60.A N ARG 68.A O no hydrogen 3.074 N/A TRP 61.A N ASN 263.A OD1 no hydrogen 2.875 N/A TRP 61.A NE1 GLU 44.A OE1 no hydrogen 2.705 N/A LEU 62.A N GLU 66.A O no hydrogen 2.967 N/A ARG 65.A N ASN 63.A OD1 no hydrogen 3.287 N/A ARG 65.A NH2 ASP 34.A O no hydrogen 3.175 N/A VAL 67.A N ILE 31.A O no hydrogen 2.881 N/A ARG 68.A N TYR 60.A O no hydrogen 2.916 N/A ARG 68.A NE GLU 66.A OE1 no hydrogen 2.701 N/A ARG 68.A NH1 GLY 248.A O no hydrogen 3.162 N/A ARG 68.A NH1 ASP 251.A OD1 no hydrogen 2.874 N/A ARG 68.A NH2 GLU 66.A OE1 no hydrogen 3.048 N/A ARG 68.A NH2 GLY 248.A O no hydrogen 3.103 N/A TRP 69.A N VAL 29.A O no hydrogen 2.787 N/A ARG 70.A NH1 PRO 71.A O no hydrogen 3.016 N/A ARG 70.A NH2 ASP 251.A O no hydrogen 3.154 N/A ARG 70.A NH2 ILE 254.A O no hydrogen 3.017 N/A TRP 75.A N VAL 25.A O no hydrogen 2.977 N/A TRP 75.A NE1 GLU 27.A O no hydrogen 2.717 N/A GLY 78.A N ILE 108.A O no hydrogen 2.893 N/A THR 79.A N LYS 76.A O no hydrogen 3.225 N/A THR 79.A OG1 LYS 76.A O no hydrogen 2.989 N/A ALA 80.A N ASN 52.A O no hydrogen 2.983 N/A VAL 81.A N PHE 106.A O no hydrogen 2.752 N/A ASP 82.A N THR 50.A O no hydrogen 2.964 N/A VAL 83.A N THR 104.A O no hydrogen 2.747 N/A ALA 84.A N LYS 48.A O no hydrogen 2.690 N/A VAL 85.A N VAL 102.A O no hydrogen 2.747 N/A ASN 86.A N ALA 46.A O no hydrogen 2.742 N/A THR 87.A N VAL 85.A O no hydrogen 2.893 N/A THR 87.A OG1 VAL 85.A O no hydrogen 3.404 N/A THR 87.A OG1 ASP 100.A O no hydrogen 2.678 N/A TYR 88.A N ASN 101.A OD1 no hydrogen 2.986 N/A GLY 89.A N GLY 98.A O no hydrogen 2.704 N/A VAL 90.A N THR 87.A O no hydrogen 3.117 N/A LEU 92.A N MET 96.A O no hydrogen 3.005 N/A GLY 93.A N ASP 91.A OD1 no hydrogen 3.298 N/A MET 96.A N GLY 93.A O no hydrogen 3.260 N/A GLY 98.A N VAL 90.A O no hydrogen 3.246 N/A GLU 99.A N THR 11.A O no hydrogen 2.903 N/A ASN 101.A N ASP 100.A OD1 no hydrogen 2.901 N/A ASN 101.A ND2 TYR 2.A O no hydrogen 3.585 N/A VAL 102.A N VAL 85.A O no hydrogen 3.156 N/A GLN 103.A N LEU 4.A O no hydrogen 2.913 N/A THR 104.A N VAL 83.A O no hydrogen 3.081 N/A THR 104.A OG1 PRO 17.A O no hydrogen 3.037 N/A HIS 105.A N ASP 19.A OD1 no hydrogen 3.225 N/A HIS 105.A ND1 ASP 82.A OD1 no hydrogen 2.847 N/A PHE 106.A N VAL 81.A O no hydrogen 2.762 N/A THR 107.A N GLU 21.A O no hydrogen 3.211 N/A ILE 108.A N THR 79.A O no hydrogen 2.968 N/A GLY 109.A N VAL 23.A O no hydrogen 2.943 N/A GLU 111.A N ASN 128.A OD1 no hydrogen 3.402 N/A ILE 113.A N ARG 126.A O no hydrogen 2.994 N/A ALA 114.A N ILE 232.A O no hydrogen 2.629 N/A THR 115.A N THR 124.A O no hydrogen 2.990 N/A ALA 116.A N GLU 234.A O no hydrogen 2.707 N/A ASP 117.A N ILE 122.A O no hydrogen 3.250 N/A ASP 118.A N VAL 236.A O no hydrogen 2.942 N/A ASN 119.A N ASP 117.A OD1 no hydrogen 2.675 N/A THR 120.A N ASP 117.A O no hydrogen 2.964 N/A THR 120.A OG1 ASP 117.A O no hydrogen 3.382 N/A LYS 121.A N ASP 117.A O no hydrogen 2.706 N/A LYS 121.A NZ ASP 118.A O no hydrogen 2.643 N/A LYS 121.A NZ ASP 118.A OD1 no hydrogen 3.295 N/A ILE 122.A N THR 120.A OG1 no hydrogen 3.165 N/A LEU 123.A N MET 135.A O no hydrogen 2.615 N/A THR 124.A N THR 115.A O no hydrogen 2.802 N/A VAL 125.A N LYS 133.A O no hydrogen 2.789 N/A ARG 126.A N ILE 113.A O no hydrogen 2.863 N/A VAL 127.A N GLU 130.A O no hydrogen 2.883 N/A ASN 128.A N GLU 111.A O no hydrogen 2.807 N/A GLU 130.A N VAL 127.A O no hydrogen 2.991 N/A VAL 132.A N VAL 125.A O no hydrogen 3.094 N/A MET 135.A N LEU 123.A O no hydrogen 2.865 N/A THR 137.A N LYS 121.A O no hydrogen 2.933 N/A THR 137.A OG1 ASN 214.A O no hydrogen 2.830 N/A SER 138.A N ASN 214.A O no hydrogen 3.047 N/A SER 138.A OG THR 207.A O no hydrogen 2.903 N/A SER 138.A OG THR 209.A OG1 no hydrogen 3.314 N/A MET 139.A N ASN 208.A OD1 no hydrogen 2.874 N/A GLY 140.A N THR 146.A OG1 no hydrogen 2.890 N/A LYS 141.A N SER 210.A O no hydrogen 2.817 N/A LYS 141.A NZ THR 144.A OG1 no hydrogen 3.068 N/A THR 144.A N LYS 141.A O no hydrogen 2.930 N/A THR 144.A OG1 THR 144.A O no hydrogen 2.418 N/A THR 144.A OG1 SER 210.A O no hydrogen 3.112 N/A THR 146.A OG1 GLY 212.A O no hydrogen 2.669 N/A ASN 148.A N GLY 241.A O no hydrogen 2.787 N/A ASN 148.A ND2 VAL 235.A O no hydrogen 3.561 N/A GLY 149.A N VAL 235.A O no hydrogen 2.948 N/A TYR 151.A N VAL 233.A O no hydrogen 2.712 N/A TYR 151.A OH ALA 147.A O no hydrogen 2.644 N/A ILE 152.A N LEU 249.A O no hydrogen 3.007 N/A VAL 153.A N ASP 231.A O no hydrogen 2.929 N/A GLY 154.A N GLN 186.A O no hydrogen 2.811 N/A SER 155.A OG TYR 157.A OH no hydrogen 2.886 N/A TYR 157.A N ALA 184.A O no hydrogen 2.734 N/A TYR 157.A OH SER 155.A OG no hydrogen 2.886 N/A HIS 159.A ND1 ASP 182.A OD1 no hydrogen 2.580 N/A HIS 159.A NE2 ASP 180.A OD1 no hydrogen 2.729 N/A ILE 160.A N VAL 181.A O no hydrogen 3.011 N/A MET 162.A N THR 179.A O no hydrogen 2.794 N/A SER 164.A N TYR 177.A O no hydrogen 2.823 N/A SER 164.A OG VAL 169.A O no hydrogen 2.801 N/A SER 164.A OG TYR 177.A O no hydrogen 3.147 N/A SER 165.A N ASP 163.A OD1 no hydrogen 2.764 N/A SER 165.A OG ASP 163.A OD1 no hydrogen 2.926 N/A THR 166.A N ASP 163.A O no hydrogen 3.077 N/A THR 166.A OG1 ASP 163.A O no hydrogen 3.209 N/A TYR 167.A N SER 164.A O no hydrogen 2.882 N/A GLY 168.A N SER 165.A O no hydrogen 2.779 N/A VAL 169.A N SER 164.A O no hydrogen 3.238 N/A SER 173.A N PRO 170.A O no hydrogen 3.030 N/A SER 173.A OG PRO 170.A O no hydrogen 2.743 N/A GLY 176.A N SER 173.A O no hydrogen 2.614 N/A TYR 177.A N SER 164.A OG no hydrogen 2.972 N/A ARG 178.A NH1 ASP 163.A OD2 no hydrogen 2.972 N/A THR 179.A N MET 162.A O no hydrogen 2.631 N/A VAL 181.A N ILE 160.A O no hydrogen 2.644 N/A TRP 183.A N LYS 158.A O no hydrogen 2.980 N/A ALA 184.A N TYR 157.A O no hydrogen 2.924 N/A THR 185.A N VAL 194.A O no hydrogen 2.798 N/A GLN 186.A N SER 155.A O no hydrogen 2.880 N/A ILE 187.A N VAL 192.A O no hydrogen 2.892 N/A SER 188.A N VAL 192.A O no hydrogen 3.287 N/A SER 188.A OG SER 190.A OG no hydrogen 2.706 N/A TYR 189.A N ASP 247.A OD1 no hydrogen 2.709 N/A SER 190.A OG SER 188.A OG no hydrogen 2.706 N/A GLY 191.A N SER 188.A O no hydrogen 3.315 N/A VAL 192.A N SER 188.A OG no hydrogen 2.961 N/A VAL 194.A N THR 185.A O no hydrogen 2.831 N/A HIS 195.A N LEU 213.A O no hydrogen 3.259 N/A HIS 195.A ND1 SER 196.A O no hydrogen 2.732 N/A SER 196.A N ASP 182.A O no hydrogen 2.984 N/A ALA 197.A N VAL 215.A O no hydrogen 2.894 N/A SER 200.A N ALA 197.A O no hydrogen 3.240 N/A SER 200.A OG ALA 197.A O no hydrogen 3.517 N/A SER 200.A OG ASN 214.A OD1 no hydrogen 2.408 N/A ALA 203.A N SER 200.A O no hydrogen 2.813 N/A GLN 204.A N SER 200.A O no hydrogen 2.759 N/A GLN 204.A NE2 ALA 197.A O no hydrogen 3.049 N/A GLN 204.A NE2 SER 200.A OG no hydrogen 3.197 N/A GLY 205.A N THR 137.A O no hydrogen 2.873 N/A HIS 206.A N ALA 203.A O no hydrogen 2.651 N/A THR 207.A N ALA 203.A O no hydrogen 2.888 N/A ASN 208.A ND2 ASP 118.A OD1 no hydrogen 3.054 N/A THR 209.A N SER 138.A OG no hydrogen 3.108 N/A THR 209.A OG1 SER 138.A OG no hydrogen 3.314 N/A SER 210.A N MET 139.A O no hydrogen 2.763 N/A GLY 212.A N SER 210.A OG no hydrogen 3.037 N/A LEU 213.A N PHE 193.A O no hydrogen 2.972 N/A ASN 214.A N SER 138.A O no hydrogen 2.950 N/A VAL 215.A N HIS 195.A O no hydrogen 3.144 N/A ASN 219.A N SER 216.A OG no hydrogen 3.009 N/A ALA 220.A N SER 216.A O no hydrogen 2.945 N/A GLN 221.A N PRO 217.A O no hydrogen 3.130 N/A TRP 222.A N SER 218.A O no hydrogen 2.795 N/A PHE 223.A N ASN 219.A O no hydrogen 2.813 N/A TYR 224.A N ALA 220.A O no hydrogen 2.840 N/A ASP 225.A N GLN 221.A O no hydrogen 2.911 N/A ASP 225.A N TRP 222.A O no hydrogen 3.092 N/A HIS 226.A N TRP 222.A O no hydrogen 3.090 N/A HIS 226.A ND1 TRP 222.A O no hydrogen 3.084 N/A VAL 227.A N PHE 223.A O no hydrogen 2.996 N/A LYS 228.A N ASP 231.A OD2 no hydrogen 2.866 N/A LYS 228.A NZ ASP 110.A O no hydrogen 3.385 N/A LYS 228.A NZ ASP 231.A OD1 no hydrogen 2.845 N/A ARG 229.A NE.A GLU 27.A OE2 no hydrogen 3.165 N/A ARG 229.A NH1.A GLU 21.A OE1 no hydrogen 2.750 N/A ARG 229.A NH1.A GLU 21.A OE2 no hydrogen 3.186 N/A ARG 229.A NH2.A GLU 21.A OE2 no hydrogen 2.894 N/A ARG 229.A NH2.A GLU 27.A OE2 no hydrogen 2.957 N/A GLY 230.A N VAL 153.A O no hydrogen 3.034 N/A ASP 231.A N LYS 228.A O no hydrogen 3.071 N/A ILE 232.A N VAL 112.A O no hydrogen 2.939 N/A VAL 233.A N TYR 151.A O no hydrogen 3.035 N/A GLU 234.A N ALA 114.A O no hydrogen 2.585 N/A VAL 235.A N GLY 149.A O no hydrogen 2.833 N/A VAL 236.A N ALA 116.A O no hydrogen 2.811 N/A THR 238.A OG1 THR 146.A O no hydrogen 2.611 N/A GLY 240.A N THR 238.A OG1 no hydrogen 3.071 N/A LEU 243.A N ASN 148.A O no hydrogen 2.899 N/A ASP 247.A N PRO 244.A O no hydrogen 3.128 N/A LEU 249.A N ASP 247.A OD1 no hydrogen 2.688 N/A TRP 252.A NE1 GLY 26.A O no hydrogen 2.833 N/A ASN 253.A N GLY 250.A O no hydrogen 2.789 N/A ILE 254.A N ASP 251.A O no hydrogen 3.177 N/A GLN 258.A N PRO 255.A O no hydrogen 2.713 N/A TRP 259.A N PRO 255.A O no hydrogen 2.896 N/A TRP 259.A NE1 ALA 58.A O no hydrogen 2.856 N/A GLY 262.A N TRP 259.A O no hydrogen 2.498 N/A ASN 263.A ND2 TRP 61.A O no hydrogen 3.236 N/A