Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3dte_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ALA 5.A N THR 2.A OG1 no hydrogen 2.992 N/A ALA 6.A N THR 2.A O no hydrogen 3.066 N/A ALA 7.A N ALA 3.A O no hydrogen 2.979 N/A LYS 8.A N LEU 4.A O no hydrogen 3.100 N/A ALA 9.A N ALA 5.A O no hydrogen 2.973 N/A ARG 10.A N ALA 6.A O no hydrogen 2.979 N/A ARG 10.A NE GLU 12.A OE1 no hydrogen 3.152 N/A GLU 12.A N ALA 9.A O no hydrogen 2.879 N/A LEU 13.A N ARG 10.A O no hydrogen 2.863 N/A ALA 15.A N ARG 11.A O no hydrogen 2.992 N/A SER 16.A N GLU 12.A O no hydrogen 3.042 N/A SER 16.A OG GLU 12.A O no hydrogen 3.048 N/A TYR 17.A N LEU 13.A O no hydrogen 3.143 N/A TYR 17.A OH LEU 29.A O no hydrogen 2.352 N/A GLY 18.A N ALA 14.A O no hydrogen 3.025 N/A ALA 19.A N ALA 15.A O no hydrogen 2.637 N/A GLY 20.A N SER 16.A O no hydrogen 2.969 N/A LEU 21.A N GLY 18.A O no hydrogen 2.927 N/A ARG 24.A NH1 ALA 111.A O no hydrogen 3.535 N/A ARG 24.A NH1 LEU 112.A O no hydrogen 2.816 N/A SER 28.A N ASP 25.A OD2 no hydrogen 3.108 N/A SER 28.A OG GLY 23.A O no hydrogen 3.363 N/A LEU 29.A N ASP 25.A O no hydrogen 3.106 N/A THR 36.A N HIS 52.A O no hydrogen 2.739 N/A THR 38.A N ILE 54.A O no hydrogen 2.981 N/A ALA 46.A N LEU 55.A O no hydrogen 2.869 N/A ASP 48.A N VAL 53.A O no hydrogen 2.878 N/A HIS 51.A N ASP 48.A OD1 no hydrogen 2.873 N/A HIS 51.A ND1 ASP 48.A OD1 no hydrogen 2.914 N/A HIS 52.A N PRO 49.A O no hydrogen 3.043 N/A VAL 53.A N ASP 48.A O no hydrogen 3.198 N/A ILE 54.A N THR 36.A O no hydrogen 2.812 N/A LEU 55.A N ALA 46.A O no hydrogen 2.697 N/A ILE 56.A N THR 38.A O no hydrogen 2.954 N/A ASN 57.A N ASP 44.A O no hydrogen 2.661 N/A ASN 57.A ND2 GLY 41.A O no hydrogen 2.811 N/A ASN 57.A ND2 ARG 43.A O no hydrogen 2.560 N/A GLN 59.A N ASN 57.A OD1 no hydrogen 3.018 N/A GLN 65.A N ARG 61.A O no hydrogen 3.132 N/A GLN 65.A NE2 VAL 60.A O no hydrogen 2.681 N/A ARG 66.A N PRO 62.A O no hydrogen 2.853 N/A ARG 66.A NE ALA 139.A O no hydrogen 3.140 N/A ARG 66.A NE ASP 140.A O no hydrogen 3.154 N/A ARG 66.A NH1 ARG 24.A O no hydrogen 2.798 N/A ARG 66.A NH2 ARG 24.A O no hydrogen 2.962 N/A ARG 66.A NH2 ALA 139.A O no hydrogen 2.937 N/A PHE 67.A N GLU 63.A O no hydrogen 3.127 N/A THR 68.A N ARG 64.A O no hydrogen 2.572 N/A THR 68.A OG1 ARG 64.A O no hydrogen 2.937 N/A LEU 69.A N GLN 65.A O no hydrogen 2.944 N/A ALA 70.A N ARG 66.A O no hydrogen 3.109 N/A HIS 71.A N PHE 67.A O no hydrogen 2.913 N/A HIS 71.A ND1 ASN 106.A OD1 no hydrogen 2.786 N/A GLU 72.A N THR 68.A O no hydrogen 2.956 N/A ILE 73.A N LEU 69.A O no hydrogen 2.988 N/A SER 74.A N ALA 70.A O no hydrogen 2.983 N/A SER 74.A OG ALA 70.A O no hydrogen 2.951 N/A HIS 75.A N HIS 71.A O no hydrogen 2.853 N/A HIS 75.A ND1 GLU 72.A OE1 no hydrogen 3.176 N/A ALA 76.A N GLU 72.A O no hydrogen 2.960 N/A LEU 77.A N ILE 73.A O no hydrogen 2.947 N/A LEU 78.A N SER 74.A O no hydrogen 2.782 N/A LEU 79.A N HIS 75.A O no hydrogen 2.909 N/A GLY 80.A N LEU 77.A O no hydrogen 3.261 N/A ASP 81.A N LEU 78.A O no hydrogen 3.023 N/A LEU 84.A N ASP 81.A OD1 no hydrogen 2.820 N/A LEU 85.A N ASP 81.A O no hydrogen 3.148 N/A SER 86.A N ASP 82.A O no hydrogen 2.950 N/A ASP 87.A N ASP 83.A O no hydrogen 3.132 N/A LEU 88.A N LEU 84.A O no hydrogen 3.038 N/A HIS 89.A N LEU 85.A O no hydrogen 3.171 N/A ASP 90.A N SER 86.A O no hydrogen 2.932 N/A GLU 91.A N ASP 87.A O no hydrogen 3.300 N/A GLU 91.A N LEU 88.A O no hydrogen 2.964 N/A TYR 92.A N LEU 88.A O no hydrogen 2.673 N/A LEU 97.A N GLU 93.A O no hydrogen 3.109 N/A LEU 97.A N GLY 94.A O no hydrogen 3.100 N/A GLU 98.A N GLY 94.A O no hydrogen 3.425 N/A GLN 99.A N ASP 95.A O no hydrogen 2.939 N/A GLN 99.A NE2 GLN 99.A O no hydrogen 3.234 N/A VAL 100.A N ARG 96.A O no hydrogen 3.043 N/A ILE 101.A N LEU 97.A O no hydrogen 3.000 N/A GLU 102.A N GLU 98.A O no hydrogen 2.935 N/A THR 103.A N GLN 99.A O no hydrogen 2.933 N/A THR 103.A OG1 GLN 99.A O no hydrogen 3.508 N/A LEU 104.A N VAL 100.A O no hydrogen 2.931 N/A CYS 105.A N ILE 101.A O no hydrogen 2.844 N/A CYS 105.A SG ILE 101.A O no hydrogen 3.152 N/A ASN 106.A N GLU 102.A O no hydrogen 3.095 N/A ASN 106.A N THR 103.A O no hydrogen 2.957 N/A VAL 107.A N THR 103.A O no hydrogen 3.020 N/A GLY 108.A N LEU 104.A O no hydrogen 2.758 N/A ALA 109.A N CYS 105.A O no hydrogen 2.959 N/A ALA 110.A N ASN 106.A O no hydrogen 3.157 N/A ALA 111.A N VAL 107.A O no hydrogen 3.258 N/A LEU 112.A N GLY 108.A O no hydrogen 3.024 N/A LEU 113.A N ALA 109.A O no hydrogen 2.720 N/A ILE 118.A N PRO 114.A O no hydrogen 3.260 N/A ASP 119.A N ALA 115.A O no hydrogen 3.159 N/A ASP 120.A N GLU 116.A O no hydrogen 2.828 N/A LEU 121.A N LEU 117.A O no hydrogen 3.127 N/A LEU 122.A N ILE 118.A O no hydrogen 2.815 N/A THR 123.A N ASP 119.A O no hydrogen 2.974 N/A THR 123.A OG1 ASP 119.A O no hydrogen 3.103 N/A ARG 124.A N ASP 120.A O no hydrogen 3.021 N/A ARG 124.A NE ASP 120.A OD1 no hydrogen 2.651 N/A PHE 125.A N LEU 121.A O no hydrogen 2.719 N/A THR 128.A OG1 PHE 125.A O no hydrogen 2.981 N/A THR 128.A OG1 GLY 126.A O no hydrogen 3.497 N/A GLY 129.A N ASP 226.A O no hydrogen 3.202 N/A GLY 129.A N SER 237.A OG no hydrogen 2.774 N/A ARG 130.A N ASP 226.A OD1 no hydrogen 3.272 N/A ALA 131.A N THR 128.A OG1 no hydrogen 3.139 N/A LEU 132.A N THR 128.A O no hydrogen 3.054 N/A ALA 133.A N GLY 129.A O no hydrogen 2.916 N/A GLU 134.A N ARG 130.A O no hydrogen 2.894 N/A LEU 135.A N ALA 131.A O no hydrogen 2.836 N/A ALA 136.A N LEU 132.A O no hydrogen 3.082 N/A ARG 137.A N ALA 133.A O no hydrogen 3.268 N/A ARG 138.A N GLU 134.A O no hydrogen 2.845 N/A ARG 138.A NE GLU 134.A OE1 no hydrogen 2.763 N/A ARG 138.A NH2 GLU 134.A OE1 no hydrogen 3.397 N/A ALA 139.A N LEU 135.A O no hydrogen 2.797 N/A ASP 140.A N ARG 137.A O no hydrogen 2.946 N/A VAL 141.A N ALA 136.A O no hydrogen 3.201 N/A SER 142.A OG SER 145.A OG no hydrogen 3.067 N/A SER 145.A N SER 142.A OG no hydrogen 3.408 N/A SER 145.A OG SER 142.A OG no hydrogen 3.067 N/A ALA 146.A N SER 142.A O no hydrogen 3.105 N/A LEU 147.A N ALA 143.A O no hydrogen 2.703 N/A TYR 148.A N THR 144.A O no hydrogen 3.184 N/A ALA 149.A N SER 145.A O no hydrogen 3.114 N/A LEU 150.A N ALA 146.A O no hydrogen 2.823 N/A ALA 151.A N LEU 147.A O no hydrogen 3.022 N/A GLU 152.A N TYR 148.A O no hydrogen 3.257 N/A GLU 152.A N ALA 149.A O no hydrogen 3.213 N/A ARG 153.A N LEU 150.A O no hydrogen 3.022 N/A THR 154.A N ALA 151.A O no hydrogen 3.410 N/A THR 154.A OG1 LEU 150.A O no hydrogen 2.928 N/A THR 154.A OG1 TYR 160.A OH no hydrogen 2.922 N/A VAL 158.A N SER 179.A OG no hydrogen 2.995 N/A ILE 159.A N PHE 238.A O no hydrogen 2.804 N/A TYR 160.A N SER 177.A O no hydrogen 2.695 N/A TYR 160.A OH THR 154.A OG1 no hydrogen 2.922 N/A ALA 161.A N VAL 236.A O no hydrogen 2.850 N/A VAL 162.A N ALA 175.A O no hydrogen 2.894 N/A CYS 163.A N VAL 234.A O no hydrogen 2.948 N/A ALA 164.A N THR 172.A O no hydrogen 3.055 N/A SER 166.A N GLU 170.A O no hydrogen 3.099 N/A SER 166.A OG GLU 170.A O no hydrogen 1.922 N/A LEU 171.A N VAL 192.A O no hydrogen 3.375 N/A THR 172.A N ALA 164.A O no hydrogen 2.688 N/A VAL 173.A N THR 190.A O no hydrogen 3.027 N/A ARG 174.A N VAL 162.A O no hydrogen 2.820 N/A ALA 175.A N VAL 162.A O no hydrogen 3.461 N/A SER 176.A OG TYR 160.A O no hydrogen 3.047 N/A SER 177.A N TYR 160.A O no hydrogen 2.846 N/A SER 179.A N VAL 158.A O no hydrogen 2.938 N/A SER 179.A OG PRO 156.A O no hydrogen 2.793 N/A GLY 189.A N VAL 173.A O no hydrogen 2.831 N/A THR 190.A N SER 187.A O no hydrogen 3.180 N/A THR 190.A OG1 SER 187.A O no hydrogen 2.624 N/A VAL 192.A N LEU 171.A O no hydrogen 3.101 N/A HIS 196.A N PRO 193.A O no hydrogen 3.261 N/A HIS 196.A NE2 TYR 213.A O no hydrogen 2.892 N/A ALA 198.A N HIS 196.A ND1 no hydrogen 2.998 N/A LEU 200.A N HIS 196.A O no hydrogen 3.197 N/A ALA 201.A N PRO 197.A O no hydrogen 2.972 N/A LEU 202.A N ALA 198.A O no hydrogen 3.326 N/A ASP 203.A N ALA 199.A O no hydrogen 3.039 N/A THR 204.A N ALA 201.A O no hydrogen 3.224 N/A THR 204.A OG1 LEU 200.A O no hydrogen 2.524 N/A THR 204.A OG1 ALA 201.A O no hydrogen 3.252 N/A ARG 205.A N LEU 202.A O no hydrogen 2.535 N/A LEU 206.A N ALA 201.A O no hydrogen 3.056 N/A LEU 208.A N ALA 227.A O no hydrogen 3.174 N/A GLN 210.A N VAL 225.A O no hydrogen 3.066 N/A SER 212.A N ALA 223.A O no hydrogen 2.825 N/A PHE 216.A N VAL 214.A O no hydrogen 2.911 N/A ARG 217.A NE SER 187.A OG no hydrogen 3.147 N/A GLY 219.A N PHE 216.A O no hydrogen 2.880 N/A ARG 220.A N SER 218.A OG no hydrogen 3.105 N/A ALA 223.A N SER 212.A O no hydrogen 2.759 N/A TYR 224.A N ALA 239.A O no hydrogen 3.040 N/A VAL 225.A N GLN 210.A O no hydrogen 3.079 N/A ASP 226.A N SER 237.A O no hydrogen 3.185 N/A ALA 227.A N LEU 208.A O no hydrogen 3.203 N/A PHE 228.A N LEU 235.A O no hydrogen 2.728 N/A GLU 230.A N ARG 233.A O no hydrogen 2.976 N/A ARG 233.A NH2 GLU 230.A OE2 no hydrogen 2.435 N/A VAL 234.A N CYS 163.A O no hydrogen 2.755 N/A LEU 235.A N PHE 228.A O no hydrogen 3.063 N/A VAL 236.A N ALA 161.A O no hydrogen 2.883 N/A SER 237.A N ASP 226.A O no hydrogen 3.070 N/A SER 237.A OG PRO 127.A O no hydrogen 3.520 N/A SER 237.A OG ASP 226.A O no hydrogen 3.226 N/A PHE 238.A N ILE 159.A O no hydrogen 2.651 N/A ALA 239.A N TYR 224.A O no hydrogen 2.711 N/A LEU 240.A N PRO 157.A O no hydrogen 3.078 N/A