Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3e03_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): LEU 4.A N ASP 29.A OD2 no hydrogen 2.721 N/A SER 5.A N THR 3.A OG1 no hydrogen 3.035 N/A LYS 7.A N LEU 4.A O no hydrogen 2.997 N/A THR 8.A N ASP 92.A OD2 no hydrogen 2.842 N/A LEU 9.A N ASN 32.A O no hydrogen 2.856 N/A PHE 10.A N ILE 93.A O no hydrogen 2.843 N/A ILE 11.A N ALA 34.A O no hydrogen 2.942 N/A THR 12.A N VAL 95.A O no hydrogen 3.086 N/A THR 12.A OG1 VAL 95.A O no hydrogen 3.476 N/A GLY 13.A N ALA 36.A O no hydrogen 2.979 N/A ARG 16.A NH1 SER 39.A OG no hydrogen 3.153 N/A ARG 16.A NH1 GLY 48.A O no hydrogen 2.909 N/A LEU 20.A N ARG 16.A O no hydrogen 3.233 N/A ALA 21.A N GLY 17.A O no hydrogen 3.085 N/A ILE 22.A N ILE 18.A O no hydrogen 2.962 N/A ALA 23.A N GLY 19.A O no hydrogen 2.942 N/A LEU 24.A N LEU 20.A O no hydrogen 2.898 N/A ARG 25.A N ALA 21.A O no hydrogen 3.050 N/A ARG 25.A NH1 ARG 25.A O no hydrogen 2.968 N/A ARG 25.A NH1 ASP 29.A OD1 no hydrogen 3.016 N/A ALA 26.A N ILE 22.A O no hydrogen 3.035 N/A ALA 27.A N ALA 23.A O no hydrogen 2.836 N/A ARG 28.A N LEU 24.A O no hydrogen 2.977 N/A ASP 29.A N ALA 26.A O no hydrogen 3.065 N/A GLY 30.A N ALA 27.A O no hydrogen 2.696 N/A ALA 31.A N ALA 26.A O no hydrogen 3.230 N/A ASN 32.A N LYS 7.A O no hydrogen 2.833 N/A ASN 32.A ND2 THR 8.A OG1 no hydrogen 3.076 N/A VAL 33.A N GLN 63.A O no hydrogen 2.879 N/A ALA 34.A N LEU 9.A O no hydrogen 2.779 N/A ILE 35.A N LEU 65.A O no hydrogen 2.833 N/A ALA 36.A N ILE 11.A O no hydrogen 3.085 N/A ALA 37.A N LEU 67.A O no hydrogen 3.203 N/A LYS 45.A N ASN 43.A OD1 no hydrogen 2.723 N/A LEU 46.A N ASN 43.A O no hydrogen 3.085 N/A THR 49.A N SER 52.A OG no hydrogen 2.877 N/A ILE 50.A N SER 39.A O no hydrogen 2.872 N/A HIS 51.A N THR 49.A OG1 no hydrogen 3.041 N/A SER 52.A N THR 49.A OG1 no hydrogen 3.053 N/A SER 52.A OG THR 49.A O no hydrogen 3.098 N/A ALA 53.A N THR 49.A O no hydrogen 2.899 N/A ALA 54.A N ILE 50.A O no hydrogen 2.994 N/A ALA 55.A N HIS 51.A O no hydrogen 3.092 N/A ALA 56.A N SER 52.A O no hydrogen 2.924 N/A VAL 57.A N ALA 53.A O no hydrogen 2.855 N/A ASN 58.A N ALA 54.A O no hydrogen 3.030 N/A ALA 59.A N ALA 55.A O no hydrogen 2.903 N/A ALA 60.A N ALA 56.A O no hydrogen 2.853 N/A GLY 61.A N ASN 58.A O no hydrogen 3.219 N/A GLY 62.A N VAL 57.A O no hydrogen 2.978 N/A GLN 63.A N ALA 31.A O no hydrogen 2.980 N/A GLN 63.A NE2 GLY 30.A O no hydrogen 2.967 N/A GLN 63.A NE2 ASN 32.A OD1 no hydrogen 2.822 N/A GLY 64.A N ASN 58.A OD1 no hydrogen 2.801 N/A LEU 65.A N VAL 33.A O no hydrogen 2.850 N/A LEU 67.A N ILE 35.A O no hydrogen 2.942 N/A LYS 68.A NZ LYS 38.A O no hydrogen 2.588 N/A CYS 69.A N ALA 37.A O no hydrogen 2.849 N/A ASP 70.A N GLN 76.A OE1 no hydrogen 2.879 N/A ARG 72.A N ASP 70.A OD1 no hydrogen 3.056 N/A ARG 72.A NE ASP 70.A OD1 no hydrogen 3.017 N/A ARG 72.A NE ASP 70.A OD2 no hydrogen 3.306 N/A ARG 72.A NH2 ASP 70.A OD2 no hydrogen 2.869 N/A GLU 73.A N ASP 70.A O no hydrogen 2.817 N/A GLN 76.A N ASP 75.A OD1 no hydrogen 2.890 N/A VAL 77.A N GLU 73.A O no hydrogen 3.077 N/A ARG 78.A N GLU 74.A O no hydrogen 2.942 N/A ARG 78.A NE.B GLU 74.A OE2 no hydrogen 3.177 N/A ARG 78.A NH2.B GLN 128.A OE1 no hydrogen 3.425 N/A ALA 79.A N ASP 75.A O no hydrogen 2.896 N/A ALA 80.A N GLN 76.A O no hydrogen 2.859 N/A VAL 81.A N VAL 77.A O no hydrogen 2.950 N/A ALA 82.A N ARG 78.A O no hydrogen 3.051 N/A ALA 83.A N ALA 79.A O no hydrogen 2.952 N/A THR 84.A N ALA 80.A O no hydrogen 2.999 N/A THR 84.A OG1 ALA 80.A O no hydrogen 2.800 N/A VAL 85.A N VAL 81.A O no hydrogen 2.975 N/A ASP 86.A N ALA 82.A O no hydrogen 2.828 N/A THR 87.A N ALA 83.A O no hydrogen 2.808 N/A THR 87.A OG1 ALA 83.A O no hydrogen 2.882 N/A PHE 88.A N THR 84.A O no hydrogen 2.852 N/A GLY 89.A N VAL 85.A O no hydrogen 2.732 N/A ASP 92.A N THR 8.A O no hydrogen 2.953 N/A ILE 93.A N THR 8.A O no hydrogen 3.118 N/A LEU 94.A N HIS 141.A O no hydrogen 2.948 N/A VAL 95.A N PHE 10.A O no hydrogen 2.905 N/A ASN 96.A N LEU 143.A O no hydrogen 2.883 N/A ASN 96.A ND2 SER 123.A O no hydrogen 3.643 N/A ASN 96.A ND2 THR 144.A OG1 no hydrogen 3.090 N/A ASN 97.A N THR 12.A OG1 no hydrogen 3.022 N/A ASN 97.A ND2 THR 12.A O no hydrogen 3.061 N/A ALA 98.A N THR 12.A OG1 no hydrogen 3.103 N/A ALA 100.A N ASN 119.A OD1 no hydrogen 2.929 N/A TRP 102.A NE1 ASP 108.A O no hydrogen 3.139 N/A ASP 108.A N GLY 105.A O no hydrogen 3.039 N/A THR 109.A N THR 106.A O no hydrogen 3.396 N/A THR 109.A OG1 GLY 105.A O no hydrogen 2.802 N/A ARG 112.A N PRO 110.A O no hydrogen 2.868 N/A PHE 113.A N PRO 110.A O no hydrogen 3.058 N/A LEU 115.A N LYS 111.A O no hydrogen 2.984 N/A GLN 116.A NE2 PHE 113.A O no hydrogen 3.172 N/A GLN 116.A NE2 GLY 161.A O no hydrogen 3.078 N/A GLN 117.A N ASP 114.A O no hydrogen 2.939 N/A VAL 118.A N LEU 115.A O no hydrogen 2.900 N/A ASN 119.A ND2 ALA 100.A O no hydrogen 3.103 N/A ARG 121.A N GLN 116.A O no hydrogen 3.006 N/A SER 123.A N ASN 119.A O no hydrogen 3.080 N/A SER 123.A OG ASN 119.A O no hydrogen 3.414 N/A PHE 124.A N ALA 120.A O no hydrogen 3.079 N/A VAL 125.A N ARG 121.A O no hydrogen 2.883 N/A CYS 126.A N GLY 122.A O no hydrogen 2.963 N/A CYS 126.A SG GLY 122.A O no hydrogen 3.291 N/A ALA 127.A N SER 123.A O no hydrogen 3.034 N/A GLN 128.A N PHE 124.A O no hydrogen 2.858 N/A ALA 129.A N VAL 125.A O no hydrogen 2.969 N/A CYS 130.A N CYS 126.A O no hydrogen 2.882 N/A CYS 130.A SG CYS 126.A O no hydrogen 3.367 N/A LEU 131.A N ALA 127.A O no hydrogen 2.841 N/A HIS 133.A N CYS 130.A O no hydrogen 3.021 N/A LEU 134.A N CYS 130.A O no hydrogen 2.883 N/A LEU 135.A N LEU 131.A O no hydrogen 2.786 N/A GLN 136.A N HIS 133.A O no hydrogen 3.046 N/A GLN 136.A NE2 PRO 132.A O no hydrogen 2.934 N/A ALA 137.A N LEU 134.A O no hydrogen 2.980 N/A ASN 139.A ND2 ARG 218.A O no hydrogen 2.959 N/A HIS 141.A N ASP 92.A O no hydrogen 3.128 N/A HIS 141.A NE2 ARG 218.A O no hydrogen 3.048 N/A ILE 142.A N ALA 184.A O no hydrogen 2.864 N/A LEU 143.A N LEU 94.A O no hydrogen 2.796 N/A THR 144.A N ASN 186.A O no hydrogen 3.010 N/A THR 144.A OG1 THR 171.A OG1 no hydrogen 3.408 N/A LEU 145.A N ASN 96.A O no hydrogen 3.017 N/A ASN 152.A N SER 150.A OG no hydrogen 3.049 N/A ASN 152.A ND2 GLU 260.A OE2 no hydrogen 2.988 N/A TRP 155.A N ASN 152.A OD1 no hydrogen 3.397 N/A TRP 156.A N ASN 152.A O no hydrogen 3.173 N/A TRP 156.A NE1 SER 150.A O no hydrogen 2.900 N/A GLY 157.A N PRO 153.A O no hydrogen 2.828 N/A ALA 158.A N ALA 154.A O no hydrogen 3.041 N/A THR 160.A OG1 TRP 156.A O no hydrogen 2.690 N/A THR 163.A N HIS 159.A O no hydrogen 2.936 N/A THR 163.A OG1 TRP 155.A O no hydrogen 2.989 N/A THR 163.A OG1 HIS 159.A O no hydrogen 3.165 N/A LEU 164.A N THR 160.A O no hydrogen 2.837 N/A ALA 165.A N GLY 161.A O no hydrogen 3.112 N/A LYS 166.A N TYR 162.A O no hydrogen 2.801 N/A LYS 166.A NZ LEU 145.A O no hydrogen 3.563 N/A SER 168.A OG PRO 147.A O no hydrogen 2.583 N/A SER 168.A OG LYS 166.A O no hydrogen 3.485 N/A VAL 170.A N GLY 167.A O no hydrogen 2.793 N/A LEU 172.A N SER 168.A O no hydrogen 2.915 N/A GLY 173.A N LEU 169.A O no hydrogen 2.923 N/A LEU 174.A N VAL 170.A O no hydrogen 2.792 N/A ALA 175.A N THR 171.A O no hydrogen 2.853 N/A ALA 176.A N LEU 172.A O no hydrogen 3.121 N/A GLU 177.A N GLY 173.A O no hydrogen 2.936 N/A PHE 178.A N LEU 174.A O no hydrogen 2.788 N/A GLY 179.A N ALA 175.A O no hydrogen 2.914 N/A GLN 181.A N PHE 178.A O no hydrogen 2.789 N/A GLN 181.A NE2 GLU 177.A O no hydrogen 3.144 N/A GLY 182.A N GLY 179.A O no hydrogen 2.970 N/A ALA 184.A N PRO 140.A O no hydrogen 2.896 N/A ASN 186.A N ILE 142.A O no hydrogen 3.031 N/A ASN 186.A ND2 PHE 223.A O no hydrogen 3.174 N/A ALA 187.A N GLN 226.A O no hydrogen 2.865 N/A LEU 188.A N THR 144.A O no hydrogen 2.948 N/A TRP 189.A N LEU 228.A O no hydrogen 2.883 N/A TRP 189.A NE1 LEU 257.A O no hydrogen 2.903 N/A ARG 191.A N ASP 230.A OD1 no hydrogen 2.811 N/A ARG 191.A NE ASP 231.A OD1 no hydrogen 3.426 N/A ARG 191.A NE ASP 231.A OD2 no hydrogen 2.834 N/A ARG 191.A NH2 ASP 231.A OD1 no hydrogen 2.918 N/A ARG 191.A NH2 ASP 231.A OD2 no hydrogen 3.482 N/A THR 192.A OG1 VAL 193.A O no hydrogen 2.921 N/A VAL 193.A N LEU 254.A O no hydrogen 2.986 N/A ALA 195.A N ARG 204.A O no hydrogen 2.835 N/A ALA 201.A N ASP 199.A OD1 no hydrogen 2.845 N/A ALA 202.A N ASP 199.A O no hydrogen 2.991 N/A CYS 203.A N ALA 200.A O no hydrogen 3.090 N/A CYS 203.A SG ASP 199.A O no hydrogen 3.400 N/A ARG 204.A N VAL 193.A O no hydrogen 3.042 N/A ARG 205.A N TYR 245.A O no hydrogen 2.807 N/A ARG 205.A NH2 GLY 244.A O no hydrogen 3.154 N/A GLU 207.A N GLU 207.A OE1 no hydrogen 2.799 N/A ILE 208.A N ARG 205.A O no hydrogen 3.281 N/A ASP 210.A N GLU 207.A O no hydrogen 2.873 N/A ALA 211.A N ILE 208.A O no hydrogen 2.906 N/A HIS 213.A N ALA 209.A O no hydrogen 3.010 N/A HIS 213.A NE2 ASP 29.A OD2 no hydrogen 2.740 N/A ALA 214.A N ASP 210.A O no hydrogen 3.137 N/A VAL 215.A N ALA 211.A O no hydrogen 3.052 N/A LEU 216.A N ALA 212.A O no hydrogen 2.828 N/A THR 217.A N HIS 213.A O no hydrogen 3.075 N/A THR 217.A OG1 HIS 213.A O no hydrogen 2.858 N/A ARG 218.A N VAL 215.A O no hydrogen 3.120 N/A ALA 220.A N ASN 139.A OD1 no hydrogen 2.765 N/A PHE 223.A N ALA 220.A O no hydrogen 2.982 N/A GLY 225.A N ILE 185.A O no hydrogen 2.811 N/A GLN 226.A N ASN 186.A OD1 no hydrogen 2.902 N/A GLN 226.A NE2 HIS 224.A O no hydrogen 3.021 N/A LEU 228.A N ALA 187.A O no hydrogen 2.866 N/A ASP 230.A N TRP 189.A O no hydrogen 3.044 N/A ASP 231.A N ASP 230.A OD1 no hydrogen 2.798 N/A VAL 233.A N ILE 229.A O no hydrogen 2.957 N/A LEU 234.A N ASP 230.A O no hydrogen 2.930 N/A ALA 235.A N ASP 231.A O no hydrogen 2.998 N/A GLN 236.A N GLU 232.A O no hydrogen 3.132 N/A ALA 237.A N VAL 233.A O no hydrogen 3.116 N/A GLY 238.A N ALA 235.A O no hydrogen 2.978 N/A ILE 239.A N LEU 234.A O no hydrogen 2.803 N/A SER 243.A N ASP 241.A OD1 no hydrogen 3.069 N/A SER 243.A OG ASP 241.A OD1 no hydrogen 2.601 N/A SER 243.A OG ASP 241.A OD2 no hydrogen 3.565 N/A TYR 245.A N LEU 242.A O no hydrogen 3.016 N/A TYR 245.A OH ASP 210.A OD2 no hydrogen 2.636 N/A ALA 246.A N SER 243.A O no hydrogen 3.211 N/A VAL 247.A N CYS 203.A O no hydrogen 3.061 N/A GLN 250.A N ASP 248.A OD1 no hydrogen 3.012 N/A ARG 251.A N ASP 248.A O no hydrogen 3.155 N/A ARG 251.A NH1 ASP 199.A OD2 no hydrogen 3.265 N/A ARG 251.A NH2 ASP 199.A OD2 no hydrogen 3.393 N/A LEU 254.A N ALA 202.A O no hydrogen 2.796 N/A ASP 256.A N ARG 191.A O no hydrogen 2.949 N/A