Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 5n1i_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ARG 5.A N SER 1.A O no hydrogen 3.148 N/A ARG 5.A NE GLN 43.A OE1 no hydrogen 3.096 N/A ARG 5.A NH2 GLN 43.A OE1 no hydrogen 3.514 N/A GLU 6.A N ALA 2.A O no hydrogen 3.140 N/A ALA 7.A N ALA 3.A O no hydrogen 2.989 N/A LEU 8.A N THR 4.A O no hydrogen 3.127 N/A ILE 9.A N ARG 5.A O no hydrogen 2.975 N/A THR 10.A N GLU 6.A O no hydrogen 3.019 N/A THR 10.A OG1 GLU 6.A O no hydrogen 2.921 N/A GLY 11.A N ALA 7.A O no hydrogen 2.983 N/A ALA 12.A N LEU 8.A O no hydrogen 2.855 N/A ARG 13.A N ILE 9.A O no hydrogen 2.927 N/A ARG 13.A NE GLU 97.A OE2 no hydrogen 2.820 N/A ARG 13.A NH1 ASP 61.A OD2 no hydrogen 2.971 N/A ARG 13.A NH2 ASP 61.A OD2 no hydrogen 3.236 N/A ARG 13.A NH2 GLU 97.A OE2 no hydrogen 3.189 N/A LYS 14.A N THR 10.A O no hydrogen 3.144 N/A LYS 14.A NZ GLU 32.A OE2 no hydrogen 3.125 N/A LEU 15.A N GLY 11.A O no hydrogen 3.052 N/A TRP 16.A N ALA 12.A O no hydrogen 2.783 N/A TRP 16.A NE1 VAL 24.A O no hydrogen 3.109 N/A GLY 17.A N ARG 13.A O no hydrogen 2.899 N/A LEU 18.A N LYS 14.A O no hydrogen 3.106 N/A LEU 18.A N LEU 15.A O no hydrogen 3.213 N/A ARG 19.A N LEU 15.A O no hydrogen 3.006 N/A ARG 19.A NH1 GLU 28.A OE2 no hydrogen 2.927 N/A ARG 19.A NH2 GLU 23.A O no hydrogen 3.564 N/A ARG 19.A NH2 GLU 28.A OE1 no hydrogen 3.071 N/A ARG 19.A NH2 GLU 28.A OE2 no hydrogen 3.527 N/A GLY 20.A N TRP 16.A O no hydrogen 2.792 N/A TYR 21.A N ASP 105.A OD2 no hydrogen 3.165 N/A GLU 23.A N GLY 20.A O no hydrogen 3.154 N/A VAL 24.A N TYR 21.A O no hydrogen 3.499 N/A THR 26.A OG1 TYR 41.A OH no hydrogen 3.087 N/A ILE 29.A N GLY 25.A O no hydrogen 3.314 N/A ALA 30.A N THR 26.A O no hydrogen 2.988 N/A THR 31.A N PRO 27.A O no hydrogen 3.136 N/A THR 31.A OG1 PRO 27.A O no hydrogen 3.175 N/A GLU 32.A N GLU 28.A O no hydrogen 3.024 N/A ALA 33.A N ILE 29.A O no hydrogen 3.019 N/A GLY 34.A N THR 31.A O no hydrogen 3.040 N/A VAL 35.A N ALA 30.A O no hydrogen 3.067 N/A ALA 39.A N THR 36.A OG1 no hydrogen 3.356 N/A MET 40.A N THR 36.A O no hydrogen 3.174 N/A TYR 41.A N ARG 37.A O no hydrogen 2.867 N/A HIS 42.A N GLY 38.A O no hydrogen 2.959 N/A GLN 43.A N ALA 39.A O no hydrogen 3.300 N/A GLN 43.A N MET 40.A O no hydrogen 3.081 N/A PHE 44.A N MET 40.A O no hydrogen 2.785 N/A LYS 47.A NZ TYR 21.A O no hydrogen 2.714 N/A LYS 47.A NZ VAL 24.A O no hydrogen 2.990 N/A ALA 49.A N ASP 46.A O no hydrogen 3.270 N/A ALA 49.A N ASP 46.A OD1 no hydrogen 3.249 N/A LEU 50.A N ASP 46.A O no hydrogen 3.456 N/A PHE 51.A N LYS 47.A O no hydrogen 3.100 N/A ARG 52.A N ALA 48.A O no hydrogen 3.074 N/A ASP 53.A N ALA 49.A O no hydrogen 3.414 N/A VAL 54.A N LEU 50.A O no hydrogen 3.035 N/A VAL 55.A N PHE 51.A O no hydrogen 2.863 N/A GLU 56.A N ARG 52.A O no hydrogen 3.082 N/A VAL 57.A N ASP 53.A O no hydrogen 3.176 N/A VAL 58.A N VAL 54.A O no hydrogen 2.968 N/A GLU 59.A N VAL 55.A O no hydrogen 2.945 N/A GLN 60.A N GLU 56.A O no hydrogen 3.050 N/A GLN 60.A NE2 TYR 122.A OH no hydrogen 3.504 N/A ASP 61.A N VAL 57.A O no hydrogen 3.089 N/A VAL 62.A N VAL 58.A O no hydrogen 2.901 N/A MET 63.A N GLU 59.A O no hydrogen 2.968 N/A ALA 64.A N GLN 60.A O no hydrogen 3.066 N/A ARG 65.A N ASP 61.A O no hydrogen 2.770 N/A MET 66.A N VAL 62.A O no hydrogen 3.039 N/A ALA 67.A N MET 63.A O no hydrogen 2.965 N/A THR 68.A N ALA 64.A O no hydrogen 3.041 N/A THR 68.A OG1 ALA 64.A O no hydrogen 3.003 N/A LEU 69.A N ARG 65.A O no hydrogen 2.972 N/A VAL 70.A N MET 66.A O no hydrogen 3.047 N/A ALA 71.A N ALA 67.A O no hydrogen 3.065 N/A ALA 72.A N THR 68.A O no hydrogen 2.970 N/A SER 73.A N VAL 70.A O no hydrogen 3.233 N/A SER 73.A OG VAL 70.A O no hydrogen 2.710 N/A THR 77.A OG1 ASP 80.A OD2 no hydrogen 2.549 N/A ALA 79.A N GLN 139.A OE1 no hydrogen 2.782 N/A ASP 80.A N THR 77.A O no hydrogen 3.150 N/A ASP 80.A N THR 77.A OG1 no hydrogen 3.383 N/A ALA 81.A N THR 77.A O no hydrogen 3.190 N/A ILE 82.A N PRO 78.A O no hydrogen 3.063 N/A ARG 83.A N ALA 79.A O no hydrogen 3.191 N/A ARG 83.A NE ASP 185.A OD1 no hydrogen 2.923 N/A ARG 83.A NH1 ASP 80.A OD1 no hydrogen 3.149 N/A ARG 83.A NH1 GLY 190.A O no hydrogen 3.053 N/A ARG 83.A NH2 ASP 185.A OD1 no hydrogen 3.156 N/A ARG 83.A NH2 GLY 190.A O no hydrogen 3.032 N/A ALA 84.A N ASP 80.A O no hydrogen 3.040 N/A ALA 85.A N ALA 81.A O no hydrogen 2.767 N/A VAL 86.A N ILE 82.A O no hydrogen 2.993 N/A ASP 87.A N ARG 83.A O no hydrogen 3.214 N/A ALA 88.A N ALA 84.A O no hydrogen 2.871 N/A TRP 89.A N ALA 85.A O no hydrogen 3.161 N/A TRP 89.A NE1 LEU 156.A O no hydrogen 2.924 N/A LEU 90.A N VAL 86.A O no hydrogen 3.396 N/A GLU 91.A N ASP 87.A O no hydrogen 3.109 N/A VAL 92.A N ALA 88.A O no hydrogen 2.948 N/A SER 93.A N TRP 89.A O no hydrogen 2.940 N/A SER 93.A OG TRP 89.A O no hydrogen 2.916 N/A SER 93.A OG LEU 90.A O no hydrogen 3.449 N/A GLY 94.A N GLU 91.A O no hydrogen 3.232 N/A ASP 95.A N VAL 92.A O no hydrogen 3.361 N/A GLU 97.A N ASP 95.A OD1 no hydrogen 3.261 N/A ARG 99.A N ASP 95.A O no hydrogen 2.953 N/A ARG 99.A NE ALA 164.A O no hydrogen 3.121 N/A ARG 99.A NH2 ALA 164.A O no hydrogen 2.825 N/A GLN 100.A N PRO 96.A O no hydrogen 3.062 N/A LEU 101.A N GLU 97.A O no hydrogen 3.076 N/A ILE 102.A N VAL 98.A O no hydrogen 3.007 N/A LEU 103.A N VAL 98.A O no hydrogen 3.425 N/A LEU 103.A N ARG 99.A O no hydrogen 3.201 N/A LEU 104.A N ARG 99.A O no hydrogen 3.178 N/A ASP 105.A N GLN 100.A O no hydrogen 3.021 N/A ALA 106.A N LEU 101.A O no hydrogen 2.954 N/A VAL 109.A N ASP 105.A O no hydrogen 2.830 N/A LEU 110.A N ALA 106.A O no hydrogen 2.803 N/A GLY 111.A N PRO 107.A O no hydrogen 3.168 N/A PHE 115.A N GLY 111.A O no hydrogen 2.880 N/A ARG 116.A N TRP 112.A O no hydrogen 3.025 N/A ASP 117.A N ALA 113.A O no hydrogen 2.964 N/A VAL 118.A N GLY 114.A O no hydrogen 3.170 N/A ALA 119.A N PHE 115.A O no hydrogen 2.898 N/A GLN 120.A N ARG 116.A O no hydrogen 2.954 N/A ARG 121.A N ASP 117.A O no hydrogen 2.998 N/A TYR 122.A N VAL 118.A O no hydrogen 3.172 N/A SER 123.A N ALA 119.A O no hydrogen 2.987 N/A SER 123.A OG ALA 119.A O no hydrogen 2.587 N/A LEU 124.A N GLN 120.A O no hydrogen 2.995 N/A THR 127.A N SER 123.A O no hydrogen 3.174 N/A THR 127.A OG1 SER 123.A O no hydrogen 2.910 N/A GLU 128.A N LEU 124.A O no hydrogen 2.777 N/A GLN 129.A N GLY 125.A O no hydrogen 2.845 N/A LEU 130.A N MET 126.A O no hydrogen 3.017 N/A ILE 131.A N THR 127.A O no hydrogen 3.155 N/A THR 132.A N GLU 128.A O no hydrogen 2.926 N/A THR 132.A OG1 GLU 128.A O no hydrogen 2.981 N/A GLU 133.A N GLN 129.A O no hydrogen 2.952 N/A ALA 134.A N LEU 130.A O no hydrogen 3.159 N/A ILE 135.A N ILE 131.A O no hydrogen 3.047 N/A ARG 136.A N THR 132.A O no hydrogen 3.098 N/A ALA 137.A N GLU 133.A O no hydrogen 2.912 N/A GLY 138.A N ILE 135.A O no hydrogen 3.022 N/A GLN 139.A N ALA 134.A O no hydrogen 2.842 N/A GLN 143.A NE2 ALA 141.A O no hydrogen 3.394 N/A ALA 149.A N VAL 145.A O no hydrogen 3.080 N/A GLN 150.A N ARG 146.A O no hydrogen 2.938 N/A VAL 151.A N PRO 147.A O no hydrogen 3.155 N/A LEU 152.A N LEU 148.A O no hydrogen 2.909 N/A ILE 153.A N ALA 149.A O no hydrogen 2.848 N/A GLY 154.A N GLN 150.A O no hydrogen 3.057 N/A ALA 155.A N VAL 151.A O no hydrogen 3.112 N/A LEU 156.A N LEU 152.A O no hydrogen 2.909 N/A ASP 157.A N ILE 153.A O no hydrogen 2.859 N/A GLU 158.A N GLY 154.A O no hydrogen 3.199 N/A ALA 159.A N ALA 155.A O no hydrogen 2.945 N/A ALA 160.A N LEU 156.A O no hydrogen 3.088 N/A MET 161.A N ASP 157.A O no hydrogen 3.132 N/A PHE 162.A N GLU 158.A O no hydrogen 2.956 N/A ILE 163.A N ALA 159.A O no hydrogen 3.076 N/A ALA 164.A N ALA 160.A O no hydrogen 2.934 N/A THR 165.A N MET 161.A O no hydrogen 3.328 N/A THR 165.A OG1 MET 161.A O no hydrogen 3.140 N/A ALA 166.A N ILE 163.A O no hydrogen 3.144 N/A ARG 171.A N ASP 168.A OD1 no hydrogen 3.476 N/A ARG 171.A NE GLU 175.A OE2 no hydrogen 3.210 N/A ALA 172.A N ASP 168.A O no hydrogen 2.969 N/A ARG 173.A N PRO 169.A O no hydrogen 2.820 N/A ARG 174.A N LYS 170.A O no hydrogen 3.204 N/A GLU 175.A N ARG 171.A O no hydrogen 2.868 N/A THR 176.A N ALA 172.A O no hydrogen 2.935 N/A THR 176.A OG1 ALA 172.A O no hydrogen 2.727 N/A ARG 177.A N ARG 173.A O no hydrogen 3.057 N/A GLN 178.A N ARG 174.A O no hydrogen 3.190 N/A VAL 179.A N GLU 175.A O no hydrogen 3.150 N/A LEU 180.A N THR 176.A O no hydrogen 3.054 N/A ARG 181.A N ARG 177.A O no hydrogen 2.901 N/A ARG 182.A N GLN 178.A O no hydrogen 2.861 N/A ARG 182.A NE GLN 178.A OE1 no hydrogen 2.798 N/A ARG 182.A NH2 GLN 178.A OE1 no hydrogen 3.139 N/A LEU 183.A N VAL 179.A O no hydrogen 3.166 N/A ILE 184.A N LEU 180.A O no hydrogen 3.068 N/A ASP 185.A N ARG 181.A O no hydrogen 3.018 N/A GLY 186.A N ARG 182.A O no hydrogen 2.933 N/A MET 187.A N LEU 183.A O no hydrogen 3.319 N/A MET 187.A N ILE 184.A O no hydrogen 2.964 N/A LEU 188.A N ILE 184.A O no hydrogen 2.843 N/A ASN 189.A N GLN 139.A O no hydrogen 2.833 N/A ASN 189.A ND2 GLY 138.A O no hydrogen 3.154 N/A