Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 2q2q_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): THR 1.A N ALA 27.A O no hydrogen 3.551 N/A LEU 2.A N ALA 27.A O no hydrogen 2.871 N/A LYS 5.A N LEU 2.A O no hydrogen 2.965 N/A THR 6.A N ASP 81.A OD2 no hydrogen 2.691 N/A ALA 7.A N ASN 30.A O no hydrogen 2.827 N/A LEU 8.A N ILE 82.A O no hydrogen 2.951 N/A VAL 9.A N VAL 32.A O no hydrogen 3.121 N/A THR 10.A N VAL 84.A O no hydrogen 3.117 N/A SER 12.A N ASN 34.A O no hydrogen 2.693 N/A SER 12.A OG VAL 9.A O no hydrogen 2.787 N/A SER 12.A OG ASN 34.A O no hydrogen 3.318 N/A THR 13.A OG1 PHE 36.A O no hydrogen 2.887 N/A LEU 18.A N SER 14.A O no hydrogen 3.326 N/A GLY 19.A N GLY 15.A O no hydrogen 3.148 N/A ILE 20.A N ILE 16.A O no hydrogen 2.964 N/A ALA 21.A N GLY 17.A O no hydrogen 2.719 N/A GLN 22.A N LEU 18.A O no hydrogen 2.787 N/A GLN 22.A NE2 GLU 45.A O no hydrogen 2.454 N/A VAL 23.A N GLY 19.A O no hydrogen 3.145 N/A LEU 24.A N ILE 20.A O no hydrogen 3.116 N/A ALA 25.A N ALA 21.A O no hydrogen 2.758 N/A ARG 26.A N GLN 22.A O no hydrogen 3.048 N/A ARG 26.A NH2 GLU 223.A OE1 no hydrogen 3.044 N/A ALA 27.A N VAL 23.A O no hydrogen 3.112 N/A GLY 28.A N ALA 25.A O no hydrogen 2.994 N/A ALA 29.A N LEU 24.A O no hydrogen 2.915 N/A ASN 30.A N LYS 5.A O no hydrogen 2.544 N/A ILE 31.A N LYS 52.A O no hydrogen 2.988 N/A VAL 32.A N ALA 7.A O no hydrogen 2.878 N/A LEU 33.A N VAL 54.A O no hydrogen 2.778 N/A ASN 34.A N SER 12.A OG no hydrogen 3.102 N/A LEU 43.A N PRO 39.A O no hydrogen 2.653 N/A ALA 44.A N ALA 40.A O no hydrogen 3.108 N/A GLU 45.A N PRO 41.A O no hydrogen 2.994 N/A ALA 47.A N LEU 43.A O no hydrogen 3.298 N/A ARG 48.A N ALA 44.A O no hydrogen 3.136 N/A HIS 49.A N ILE 46.A O no hydrogen 2.938 N/A GLY 50.A N ALA 47.A O no hydrogen 3.034 N/A LYS 52.A N ASN 30.A OD1 no hydrogen 3.477 N/A VAL 54.A N ILE 31.A O no hydrogen 3.144 N/A HIS 55.A NE2 GLY 35.A O no hydrogen 2.812 N/A HIS 56.A N LEU 33.A O no hydrogen 2.956 N/A ALA 58.A N HIS 56.A ND1 no hydrogen 2.978 N/A SER 61.A N ASP 59.A OD1 no hydrogen 3.293 N/A SER 61.A OG ASP 59.A OD1 no hydrogen 3.054 N/A SER 61.A OG ASP 59.A OD2 no hydrogen 3.117 N/A ASP 62.A N ASP 59.A O no hydrogen 2.824 N/A ILE 66.A N ASP 62.A O no hydrogen 3.004 N/A GLU 67.A N VAL 63.A O no hydrogen 2.879 N/A ALA 68.A N ALA 64.A O no hydrogen 2.930 N/A LEU 69.A N GLN 65.A O no hydrogen 3.091 N/A PHE 70.A N ILE 66.A O no hydrogen 3.081 N/A ALA 71.A N GLU 67.A O no hydrogen 2.975 N/A LEU 72.A N ALA 68.A O no hydrogen 2.962 N/A ALA 73.A N LEU 69.A O no hydrogen 3.044 N/A GLU 74.A N PHE 70.A O no hydrogen 2.798 N/A ARG 75.A N ALA 71.A O no hydrogen 3.048 N/A GLU 76.A N LEU 72.A O no hydrogen 3.029 N/A PHE 77.A N ALA 73.A O no hydrogen 2.943 N/A GLY 78.A N GLU 74.A O no hydrogen 2.867 N/A ASP 81.A N THR 6.A O no hydrogen 3.012 N/A ILE 82.A N THR 6.A O no hydrogen 2.902 N/A LEU 83.A N ARG 132.A O no hydrogen 2.869 N/A VAL 84.A N LEU 8.A O no hydrogen 2.963 N/A ASN 85.A N ILE 134.A O no hydrogen 2.998 N/A ASN 86.A N THR 10.A OG1 no hydrogen 2.907 N/A ASN 86.A ND2 THR 10.A O no hydrogen 3.080 N/A ALA 87.A N THR 10.A OG1 no hydrogen 3.047 N/A ILE 89.A N ASN 110.A OD1 no hydrogen 3.462 N/A HIS 91.A N GLN 90.A OE1 no hydrogen 3.176 N/A ALA 93.A N GLY 147.A O no hydrogen 2.817 N/A GLU 96.A N GLU 96.A OE2 no hydrogen 2.688 N/A GLN 97.A N PRO 94.A O no hydrogen 2.920 N/A PHE 98.A N VAL 95.A O no hydrogen 2.921 N/A TRP 103.A N PRO 99.A O no hydrogen 3.066 N/A ASP 104.A N LEU 100.A O no hydrogen 3.067 N/A LYS 105.A N GLU 101.A O no hydrogen 2.968 N/A ILE 106.A N SER 102.A O no hydrogen 3.066 N/A ILE 107.A N TRP 103.A O no hydrogen 3.094 N/A ALA 108.A N ASP 104.A O no hydrogen 2.961 N/A LEU 109.A N LYS 105.A O no hydrogen 2.844 N/A ASN 110.A N ILE 106.A O no hydrogen 2.799 N/A LEU 111.A N ILE 107.A O no hydrogen 2.965 N/A SER 112.A N ILE 107.A O no hydrogen 2.879 N/A ALA 113.A N ALA 108.A O no hydrogen 2.885 N/A VAL 114.A N LEU 111.A O no hydrogen 2.997 N/A PHE 115.A N LEU 111.A O no hydrogen 3.331 N/A HIS 116.A N SER 112.A O no hydrogen 3.038 N/A GLY 117.A N ALA 113.A O no hydrogen 2.911 N/A THR 118.A N VAL 114.A O no hydrogen 3.003 N/A THR 118.A OG1 VAL 114.A O no hydrogen 2.816 N/A ARG 119.A N PHE 115.A O no hydrogen 3.086 N/A ARG 119.A NE HIS 116.A ND1 no hydrogen 2.891 N/A ARG 119.A NH2 GLU 67.A OE1 no hydrogen 2.850 N/A ARG 119.A NH2 HIS 116.A ND1 no hydrogen 3.435 N/A LEU 120.A N HIS 116.A O no hydrogen 3.132 N/A ALA 121.A N GLY 117.A O no hydrogen 2.988 N/A LEU 122.A N THR 118.A O no hydrogen 2.920 N/A MET 125.A N ALA 121.A O no hydrogen 3.232 N/A ARG 126.A N LEU 122.A O no hydrogen 2.977 N/A ARG 126.A NH2 GLU 168.A O no hydrogen 2.870 N/A ALA 127.A N PRO 123.A O no hydrogen 3.042 N/A ARG 128.A N GLY 124.A O no hydrogen 3.138 N/A ARG 128.A NE GLY 124.A O no hydrogen 2.936 N/A ARG 128.A NH2 VAL 80.A O no hydrogen 2.997 N/A ASN 129.A N ARG 126.A O no hydrogen 2.782 N/A TRP 130.A N MET 125.A O no hydrogen 3.116 N/A GLY 131.A N ASN 173.A O no hydrogen 3.340 N/A ARG 132.A N ASP 81.A O no hydrogen 3.044 N/A ARG 132.A NE LEU 228.A O no hydrogen 2.822 N/A ARG 132.A NH1 GLY 131.A O no hydrogen 3.180 N/A ARG 132.A NH2 SER 230.A O no hydrogen 3.030 N/A ILE 133.A N THR 175.A O no hydrogen 3.004 N/A ILE 134.A N LEU 83.A O no hydrogen 2.848 N/A ASN 135.A N ASN 177.A O no hydrogen 2.974 N/A ILE 136.A N ASN 85.A O no hydrogen 2.648 N/A ALA 137.A N ILE 179.A O no hydrogen 2.912 N/A VAL 139.A N PRO 181.A O no hydrogen 3.184 N/A HIS 140.A N SER 138.A OG no hydrogen 2.961 N/A GLY 141.A N SER 138.A O no hydrogen 2.912 N/A LEU 142.A N VAL 139.A O no hydrogen 3.039 N/A VAL 143.A N VAL 139.A O no hydrogen 2.952 N/A VAL 152.A N LYS 148.A O no hydrogen 2.875 N/A ALA 153.A N ALA 149.A O no hydrogen 2.895 N/A ALA 154.A N ALA 150.A O no hydrogen 2.976 N/A LYS 155.A N TYR 151.A O no hydrogen 2.947 N/A LYS 155.A NZ ILE 136.A O no hydrogen 3.015 N/A LYS 155.A NZ ALA 137.A O no hydrogen 3.565 N/A HIS 156.A N VAL 152.A O no hydrogen 2.956 N/A HIS 156.A ND1 HIS 140.A O no hydrogen 2.974 N/A HIS 156.A ND1 VAL 152.A O no hydrogen 3.036 N/A GLY 157.A N ALA 153.A O no hydrogen 2.937 N/A VAL 158.A N ALA 154.A O no hydrogen 2.766 N/A VAL 159.A N LYS 155.A O no hydrogen 2.895 N/A GLY 160.A N HIS 156.A O no hydrogen 3.025 N/A LEU 161.A N GLY 157.A O no hydrogen 2.909 N/A THR 162.A N VAL 158.A O no hydrogen 2.921 N/A THR 162.A OG1 ASN 135.A OD1 no hydrogen 2.942 N/A THR 162.A OG1 VAL 158.A O no hydrogen 2.689 N/A LYS 163.A N VAL 159.A O no hydrogen 3.261 N/A VAL 164.A N GLY 160.A O no hydrogen 3.087 N/A VAL 165.A N LEU 161.A O no hydrogen 3.095 N/A GLY 166.A N THR 162.A O no hydrogen 2.864 N/A LEU 167.A N LYS 163.A O no hydrogen 2.865 N/A GLU 168.A N VAL 164.A O no hydrogen 2.858 N/A THR 169.A N VAL 165.A O no hydrogen 3.086 N/A THR 169.A OG1 VAL 165.A O no hydrogen 2.566 N/A THR 169.A OG1 GLY 166.A O no hydrogen 3.377 N/A THR 169.A OG1 VAL 174.A O no hydrogen 3.381 N/A ALA 170.A N LEU 167.A O no hydrogen 3.262 N/A SER 172.A N THR 169.A O no hydrogen 2.802 N/A SER 172.A OG THR 169.A O no hydrogen 2.427 N/A SER 172.A OG VAL 174.A O no hydrogen 3.190 N/A ASN 173.A ND2 ASN 129.A O no hydrogen 3.311 N/A ASN 173.A ND2 ASN 129.A OD1 no hydrogen 3.124 N/A VAL 174.A N SER 172.A OG no hydrogen 3.091 N/A THR 175.A N GLY 131.A O no hydrogen 3.170 N/A CYS 176.A SG ILE 133.A O no hydrogen 3.723 N/A CYS 176.A SG ASN 135.A OD1 no hydrogen 3.923 N/A CYS 176.A SG THR 162.A O no hydrogen 3.896 N/A ASN 177.A N ILE 133.A O no hydrogen 2.903 N/A ASN 177.A ND2 VAL 236.A O no hydrogen 2.970 N/A ALA 178.A N ALA 239.A O no hydrogen 2.806 N/A ILE 179.A N ASN 135.A O no hydrogen 2.921 N/A CYS 180.A N TRP 241.A O no hydrogen 2.864 N/A CYS 180.A SG SER 138.A O no hydrogen 3.332 N/A GLY 182.A N VAL 243.A O no hydrogen 2.946 N/A LEU 185.A N VAL 216.A O no hydrogen 3.025 N/A VAL 189.A N THR 186.A OG1 no hydrogen 3.113 N/A GLN 190.A N THR 186.A O no hydrogen 2.710 N/A GLN 190.A NE2 GLN 190.A O no hydrogen 3.325 N/A GLN 190.A NE2 ASP 194.A OD1 no hydrogen 2.891 N/A LYS 191.A N PRO 187.A O no hydrogen 2.955 N/A LYS 191.A NZ PRO 187.A O no hydrogen 2.756 N/A GLN 192.A N LEU 188.A O no hydrogen 2.970 N/A ILE 193.A N VAL 189.A O no hydrogen 2.885 N/A ASP 194.A N GLN 190.A O no hydrogen 2.969 N/A ASP 195.A N LYS 191.A O no hydrogen 3.318 N/A ASP 195.A N GLN 192.A O no hydrogen 3.064 N/A ARG 196.A N GLN 192.A O no hydrogen 3.334 N/A ARG 196.A NH1 ALA 201.A O no hydrogen 2.620 N/A GLN 200.A N ASP 197.A OD2 no hydrogen 3.112 N/A ALA 201.A N ASP 197.A O no hydrogen 2.890 N/A GLN 202.A N PRO 198.A O no hydrogen 3.130 N/A GLN 202.A NE2 LEU 213.A O no hydrogen 3.102 N/A HIS 203.A N LEU 199.A O no hydrogen 3.084 N/A ASP 204.A N GLN 200.A O no hydrogen 2.763 N/A LEU 205.A N ALA 201.A O no hydrogen 2.935 N/A LEU 206.A N GLN 202.A O no hydrogen 2.937 N/A ALA 207.A N HIS 203.A O no hydrogen 2.825 N/A LYS 209.A N LEU 206.A O no hydrogen 3.196 N/A LYS 209.A NZ SER 145.A OG no hydrogen 3.371 N/A GLN 210.A N LEU 206.A O no hydrogen 2.795 N/A SER 212.A N GLY 245.A O no hydrogen 3.094 N/A LEU 213.A N GLN 210.A O no hydrogen 2.909 N/A ALA 214.A N SER 212.A OG no hydrogen 3.066 N/A VAL 216.A N TRP 183.A O no hydrogen 3.093 N/A HIS 220.A N THR 217.A OG1 no hydrogen 3.185 N/A LEU 221.A N THR 217.A O no hydrogen 3.156 N/A GLY 222.A N PRO 218.A O no hydrogen 2.702 N/A GLU 223.A N GLU 219.A O no hydrogen 2.976 N/A LEU 224.A N HIS 220.A O no hydrogen 2.969 N/A VAL 225.A N LEU 221.A O no hydrogen 2.986 N/A LEU 226.A N GLY 222.A O no hydrogen 2.853 N/A PHE 227.A N GLU 223.A O no hydrogen 2.893 N/A LEU 228.A N LEU 224.A O no hydrogen 2.670 N/A CYS 229.A N VAL 225.A O no hydrogen 2.909 N/A CYS 229.A SG VAL 225.A O no hydrogen 3.109 N/A SER 230.A N PHE 227.A O no hydrogen 2.859 N/A SER 230.A OG PHE 227.A O no hydrogen 2.754 N/A GLY 233.A N SER 230.A O no hydrogen 3.326 N/A SER 234.A N GLU 231.A O no hydrogen 3.013 N/A SER 234.A OG GLU 231.A O no hydrogen 2.909 N/A VAL 236.A N GLY 233.A O no hydrogen 2.972 N/A ARG 237.A NE GLN 235.A OE1 no hydrogen 3.070 N/A ARG 237.A NH1 SER 172.A O no hydrogen 2.797 N/A ARG 237.A NH2 SER 172.A O no hydrogen 2.914 N/A GLY 238.A N CYS 176.A O no hydrogen 2.809 N/A ALA 239.A N ASN 177.A OD1 no hydrogen 2.982 N/A TRP 241.A N ALA 178.A O no hydrogen 2.811 N/A ASN 242.A ND2 ASP 244.A OD1 no hydrogen 3.059 N/A VAL 243.A N CYS 180.A O no hydrogen 3.017 N/A GLY 246.A N ASP 244.A OD2 no hydrogen 2.854 N/A TRP 247.A N ASP 244.A O no hydrogen 3.153 N/A LEU 248.A N ASP 244.A OD1 no hydrogen 3.033 N/A ALA 249.A N GLY 246.A O no hydrogen 3.172 N/A