Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 1q3b_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ARG 7.A NE ASP 11.A OD1.B no hydrogen 3.311 N/A ARG 7.A NE ASP 11.A OD2.B no hydrogen 3.163 N/A ARG 7.A NH1 VAL 47.A O no hydrogen 2.870 N/A ARG 7.A NH2 ASP 11.A OD2.B no hydrogen 3.040 N/A ARG 8.A N PRO 4.A O no hydrogen 2.380 N/A ALA 9.A N GLU 5.A O no hydrogen 3.383 N/A ASP 11.A N.A ARG 7.A O no hydrogen 3.122 N/A ASP 11.A N.B ARG 7.A O no hydrogen 3.117 N/A ASN 12.A N ARG 8.A O no hydrogen 3.039 N/A LEU 13.A N ALA 9.A O no hydrogen 3.145 N/A GLU 14.A N ALA 10.A O no hydrogen 2.986 N/A ALA 15.A N ASP 11.A O.A no hydrogen 2.866 N/A ALA 15.A N ASP 11.A O.B no hydrogen 2.899 N/A ALA 16.A N ASN 12.A O no hydrogen 3.131 N/A ILE 17.A N LEU 13.A O no hydrogen 3.028 N/A LYS 18.A N GLU 14.A O no hydrogen 2.710 N/A GLY 19.A N VAL 44.A O no hydrogen 2.853 N/A LYS 20.A N ILE 17.A O no hydrogen 3.152 N/A LYS 20.A NZ ALA 16.A O no hydrogen 2.621 N/A LYS 20.A NZ ASP 97.A OD1 no hydrogen 3.339 N/A LYS 20.A NZ ASP 97.A OD2 no hydrogen 3.316 N/A LEU 22.A N GLN 42.A O no hydrogen 2.690 N/A THR 23.A N GLN 94.A O no hydrogen 2.703 N/A THR 23.A OG1 GLN 94.A O no hydrogen 3.218 N/A ASP 24.A N GLN 94.A O no hydrogen 3.336 N/A TRP 26.A N LYS 92.A O no hydrogen 2.887 N/A PHE 27.A N GLN 36.A OE1 no hydrogen 2.976 N/A ALA 28.A N ARG 90.A O.A no hydrogen 2.844 N/A ALA 28.A N ARG 90.A O.B no hydrogen 2.893 N/A GLN 31.A N GLN 31.A OE1 no hydrogen 2.611 N/A LEU 32.A N PHE 29.A O no hydrogen 3.008 N/A LYS 33.A N PRO 30.A O no hydrogen 3.317 N/A LYS 33.A NZ PHE 27.A O no hydrogen 2.803 N/A TYR 35.A N LEU 32.A O no hydrogen 3.082 N/A GLN 36.A N LYS 33.A O no hydrogen 3.115 N/A LEU 39.A N TYR 35.A O no hydrogen 3.242 N/A LEU 39.A N GLN 36.A O no hydrogen 3.083 N/A ILE 40.A N SER 37.A O.A no hydrogen 3.179 N/A ILE 40.A N SER 37.A O.B no hydrogen 3.161 N/A GLY 41.A N LEU 22.A O no hydrogen 2.919 N/A GLN 42.A N LEU 39.A O no hydrogen 2.891 N/A HIS 43.A N SER 59.A OG no hydrogen 2.996 N/A THR 45.A N HIS 57.A O no hydrogen 2.821 N/A THR 45.A OG1 HIS 46.A ND1 no hydrogen 2.837 N/A THR 45.A OG1 HIS 57.A O no hydrogen 3.508 N/A HIS 46.A ND1 THR 45.A OG1 no hydrogen 2.837 N/A VAL 47.A N GLU 14.A OE2 no hydrogen 2.891 N/A GLU 48.A N LEU 55.A O no hydrogen 2.838 N/A ARG 50.A N.A ALA 53.A O no hydrogen 3.064 N/A ARG 50.A N.B ALA 53.A O no hydrogen 3.013 N/A ARG 50.A NE.A VAL 125.A O.A no hydrogen 2.683 N/A ARG 50.A NE.A VAL 125.A O.B no hydrogen 2.667 N/A ARG 50.A NE.B GLU 48.A OE2 no hydrogen 2.619 N/A ARG 50.A NH1.A GLU 48.A OE2 no hydrogen 2.807 N/A ARG 50.A NH1.B LEU 122.A O no hydrogen 3.272 N/A ARG 50.A NH2.A LEU 122.A O no hydrogen 3.008 N/A ARG 50.A NH2.A VAL 125.A O.A no hydrogen 3.236 N/A ARG 50.A NH2.A VAL 125.A O.B no hydrogen 3.173 N/A ALA 53.A N ARG 50.A O.A no hydrogen 2.963 N/A ALA 53.A N ARG 50.A O.B no hydrogen 2.803 N/A LEU 54.A N SER 66.A O.A no hydrogen 2.807 N/A LEU 54.A N SER 66.A O.B no hydrogen 2.834 N/A LEU 55.A N GLU 48.A O no hydrogen 2.824 N/A THR 56.A N LEU 64.A O no hydrogen 2.768 N/A HIS 57.A N HIS 46.A O no hydrogen 2.945 N/A HIS 57.A NE2 GLU 48.A OE1 no hydrogen 2.905 N/A PHE 58.A N LEU 62.A O no hydrogen 3.011 N/A SER 59.A N HIS 43.A O no hydrogen 2.804 N/A SER 59.A OG GLN 42.A OE1 no hydrogen 2.837 N/A SER 59.A OG HIS 43.A O no hydrogen 3.318 N/A ASP 61.A N PHE 58.A O no hydrogen 3.059 N/A LEU 62.A N ASN 60.A OD1 no hydrogen 3.130 N/A THR 63.A N LEU 111.A O no hydrogen 2.840 N/A THR 63.A OG1 HIS 57.A ND1 no hydrogen 2.829 N/A LEU 64.A N THR 56.A O no hydrogen 2.797 N/A TYR 65.A N GLU 109.A O no hydrogen 2.733 N/A SER 66.A N.A LEU 54.A O no hydrogen 2.992 N/A SER 66.A N.B LEU 54.A O no hydrogen 3.000 N/A HIS 67.A N ASP 107.A O no hydrogen 3.020 N/A GLN 69.A N HIS 67.A ND1 no hydrogen 3.057 N/A GLN 69.A NE2 ASP 107.A OD2 no hydrogen 3.175 N/A GLY 72.A N ASN 68.A O no hydrogen 2.907 N/A VAL 73.A N TYR 103.A O no hydrogen 3.220 N/A ARG 75.A N.A LEU 101.A O no hydrogen 2.811 N/A ARG 75.A N.B LEU 101.A O no hydrogen 2.836 N/A VAL 77.A N THR 99.A O no hydrogen 2.851 N/A THR 79.A N ASP 97.A O no hydrogen 2.685 N/A THR 79.A OG1 THR 95.A O no hydrogen 2.576 N/A THR 79.A OG1 THR 99.A OG1 no hydrogen 3.199 N/A GLU 81.A N ASP 78.A O no hydrogen 2.948 N/A ARG 87.A NH1 TYR 71.A O no hydrogen 3.102 N/A ARG 87.A NH1 SER 104.A OG no hydrogen 3.057 N/A ARG 90.A N.A LEU 102.A O no hydrogen 2.756 N/A ARG 90.A N.B LEU 102.A O no hydrogen 2.757 N/A ARG 90.A NH1.B ALA 105.A O no hydrogen 2.726 N/A VAL 91.A N LEU 102.A O no hydrogen 3.286 N/A LYS 92.A N TRP 26.A O no hydrogen 2.807 N/A LEU 93.A N ILE 100.A O no hydrogen 3.065 N/A GLN 94.A N ASP 24.A O no hydrogen 2.838 N/A THR 95.A N LYS 98.A O no hydrogen 2.892 N/A THR 95.A OG1 LYS 98.A O no hydrogen 2.443 N/A LYS 98.A N THR 95.A OG1 no hydrogen 3.163 N/A LYS 98.A NZ ASP 78.A OD1 no hydrogen 3.096 N/A THR 99.A N VAL 77.A O no hydrogen 2.988 N/A THR 99.A OG1 THR 79.A OG1 no hydrogen 3.199 N/A ILE 100.A N LEU 93.A O no hydrogen 2.990 N/A LEU 101.A N ARG 75.A O.A no hydrogen 2.817 N/A LEU 101.A N ARG 75.A O.B no hydrogen 2.901 N/A LEU 102.A N VAL 91.A O no hydrogen 2.912 N/A TYR 103.A N VAL 73.A O no hydrogen 3.018 N/A SER 104.A N VAL 88.A O no hydrogen 2.763 N/A ALA 105.A N TYR 103.A O no hydrogen 2.732 N/A GLU 109.A N TYR 65.A O no hydrogen 2.964 N/A LEU 111.A N THR 63.A O no hydrogen 2.701 N/A ARG 112.A N GLN 115.A OE1 no hydrogen 2.795 N/A GLN 115.A N ARG 112.A O no hydrogen 2.917 N/A LEU 116.A N PRO 113.A O no hydrogen 3.335 N/A THR 118.A OG1 GLN 115.A O no hydrogen 3.274 N/A HIS 119.A N LEU 116.A O no hydrogen 3.460 N/A HIS 119.A NE2 GLU 109.A OE2 no hydrogen 2.829 N/A LEU 122.A N HIS 119.A ND1 no hydrogen 3.432 N/A GLN 123.A N HIS 119.A O no hydrogen 2.880 N/A GLN 123.A NE2 THR 117.A O no hydrogen 3.298 N/A ARG 124.A N PHE 121.A O no hydrogen 2.940 N/A VAL 125.A N.A PHE 121.A O no hydrogen 3.366 N/A VAL 125.A N.B PHE 121.A O no hydrogen 3.356 N/A GLY 126.A N GLN 160.A O no hydrogen 2.834 N/A VAL 129.A N ALA 164.A O no hydrogen 2.912 N/A LEU 130.A N.A ASP 128.A OD1 no hydrogen 2.616 N/A LEU 130.A N.B ASP 128.A OD1 no hydrogen 2.617 N/A ASP 131.A N ASP 128.A O no hydrogen 3.058 N/A ASN 133.A N ASP 131.A OD1 no hydrogen 2.759 N/A ASN 133.A ND2 GLU 14.A OE2 no hydrogen 2.880 N/A LEU 134.A N ASP 131.A O no hydrogen 2.970 N/A THR 135.A OG1 GLU 137.A OE1 no hydrogen 3.193 N/A VAL 138.A N THR 135.A OG1 no hydrogen 3.295 N/A VAL 139.A N THR 135.A O no hydrogen 3.036 N/A LYS 140.A N PRO 136.A O no hydrogen 2.905 N/A LYS 140.A NZ ASP 195.A OD1 no hydrogen 3.057 N/A GLU 141.A N GLU 137.A O no hydrogen 3.222 N/A ARG 142.A N VAL 138.A O no hydrogen 3.062 N/A ARG 142.A NE PHE 162.A O no hydrogen 2.900 N/A ARG 142.A NH2 ALA 161.A O no hydrogen 2.871 N/A ARG 142.A NH2 PHE 162.A O no hydrogen 3.280 N/A LEU 143.A N VAL 139.A O no hydrogen 2.897 N/A LEU 144.A N LYS 140.A O no hydrogen 2.945 N/A SER 145.A N GLU 141.A O no hydrogen 2.706 N/A SER 145.A N ARG 142.A O no hydrogen 3.194 N/A SER 145.A OG ARG 142.A O no hydrogen 2.649 N/A ARG 147.A NH2 GLN 123.A O no hydrogen 2.282 N/A PHE 148.A N SER 145.A O no hydrogen 2.938 N/A ARG 149.A N SER 145.A O no hydrogen 2.895 N/A ARG 149.A NH1 LEU 144.A O no hydrogen 3.027 N/A ARG 151.A N PHE 148.A O no hydrogen 2.786 N/A ARG 151.A NH2 ASP 159.A OD2 no hydrogen 3.011 N/A GLN 152.A NE2 ASN 183.A O no hydrogen 3.297 N/A PHE 153.A N HIS 184.A O no hydrogen 2.967 N/A ALA 154.A N GLY 182.A O no hydrogen 2.929 N/A GLY 155.A N GLN 152.A O no hydrogen 3.269 N/A LEU 156.A N GLN 152.A O no hydrogen 2.981 N/A LEU 157.A N PHE 153.A O no hydrogen 2.967 N/A LEU 158.A N GLY 155.A O no hydrogen 2.949 N/A ASP 159.A N LEU 156.A O no hydrogen 3.065 N/A ALA 161.A N ASP 159.A OD1 no hydrogen 2.818 N/A PHE 162.A N ASP 159.A O no hydrogen 2.992 N/A ALA 164.A N PRO 127.A O.A no hydrogen 2.843 N/A ALA 164.A N PRO 127.A O.B no hydrogen 2.813 N/A ASN 168.A ND2 PRO 250.A O.A no hydrogen 2.870 N/A ASN 168.A ND2 PRO 250.A O.B no hydrogen 2.862 N/A LEU 170.A N GLY 167.A O no hydrogen 2.908 N/A ARG 171.A N GLY 167.A O no hydrogen 2.802 N/A ARG 171.A NE ASN 168.A OD1 no hydrogen 3.156 N/A ARG 171.A NH1 ALA 154.A O no hydrogen 2.462 N/A ARG 171.A NH2 ASN 168.A OD1 no hydrogen 2.734 N/A VAL 172.A N ASN 168.A O no hydrogen 3.081 N/A ILE 174.A N LEU 170.A O no hydrogen 2.947 N/A LEU 175.A N ARG 171.A O no hydrogen 3.198 N/A TRP 176.A N VAL 172.A O no hydrogen 3.174 N/A GLN 177.A N GLU 173.A O no hydrogen 2.995 N/A VAL 178.A N LEU 175.A O no hydrogen 3.287 N/A GLY 179.A N TRP 176.A O no hydrogen 3.115 N/A LEU 180.A N LEU 175.A O no hydrogen 2.966 N/A THR 181.A N HIS 259.A OXT no hydrogen 3.224 N/A ASN 183.A ND2 THR 181.A OG1 no hydrogen 2.593 N/A ASN 183.A ND2 HIS 184.A ND1 no hydrogen 3.668 N/A HIS 184.A N THR 181.A O no hydrogen 3.509 N/A LYS 185.A N ASP 188.A OD2.B no hydrogen 2.830 N/A LYS 185.A NZ ASN 150.A O no hydrogen 3.549 N/A LYS 185.A NZ ASN 150.A OD1 no hydrogen 2.905 N/A LYS 187.A N ARG 149.A O no hydrogen 3.014 N/A LYS 187.A NZ ASN 150.A OD1 no hydrogen 2.716 N/A ASP 188.A N.A LYS 185.A O no hydrogen 3.074 N/A ASP 188.A N.B LYS 185.A O no hydrogen 3.085 N/A LEU 189.A N ALA 186.A O no hydrogen 3.439 N/A ASN 190.A N GLN 193.A OE1 no hydrogen 3.177 N/A GLN 193.A N ASN 190.A OD1 no hydrogen 2.714 N/A LEU 194.A N ASN 190.A O no hydrogen 2.977 N/A ASP 195.A N ALA 191.A O no hydrogen 3.051 N/A ALA 196.A N ALA 192.A O no hydrogen 2.961 N/A LEU 197.A N GLN 193.A O no hydrogen 2.779 N/A ALA 198.A N LEU 194.A O no hydrogen 2.842 N/A HIS 199.A N ASP 195.A O no hydrogen 3.036 N/A ALA 200.A N ALA 196.A O no hydrogen 3.132 N/A LEU 201.A N LEU 197.A O no hydrogen 3.005 N/A LEU 202.A N HIS 199.A O no hydrogen 3.151 N/A GLU 203.A N HIS 199.A O no hydrogen 2.801 N/A ILE 204.A N ALA 200.A O no hydrogen 3.221 N/A ARG 206.A N LEU 202.A O no hydrogen 3.083 N/A ARG 206.A NE VAL 129.A O no hydrogen 2.862 N/A ARG 206.A NH2 VAL 129.A O no hydrogen 3.313 N/A ARG 206.A NH2 LEU 134.A O no hydrogen 2.909 N/A PHE 207.A N GLU 203.A O no hydrogen 2.822 N/A SER 208.A N ILE 204.A O no hydrogen 2.991 N/A TYR 209.A N PRO 205.A O no hydrogen 3.006 N/A ALA 210.A N ARG 206.A O no hydrogen 2.950 N/A THR 211.A N PHE 207.A O no hydrogen 3.298 N/A THR 211.A OG1 PHE 207.A O no hydrogen 2.728 N/A ARG 212.A NH1.B TYR 209.A O no hydrogen 2.651 N/A LYS 219.A N ASP 216.A O no hydrogen 3.246 N/A HIS 220.A N GLU 217.A O no hydrogen 2.918 N/A HIS 221.A N GLU 217.A O no hydrogen 3.001 N/A ARG 226.A NE ALA 223.A O no hydrogen 2.611 N/A LYS 228.A N GLU 173.A OE1 no hydrogen 2.721 N/A LYS 228.A N GLU 173.A OE2 no hydrogen 3.003 N/A LYS 228.A NZ GLU 238.A OE2 no hydrogen 3.499 N/A VAL 229.A N GLU 173.A OE2 no hydrogen 2.932 N/A PHE 230.A N GLU 173.A OE2 no hydrogen 2.954 N/A ARG 232.A N VAL 229.A O no hydrogen 3.060 N/A ARG 232.A NH1 LYS 228.A O no hydrogen 3.311 N/A ARG 232.A NH2 GLU 235.A OE1 no hydrogen 3.507 N/A ARG 232.A NH2 PRO 236.A O no hydrogen 2.903 N/A GLY 234.A N ILE 244.A O.A no hydrogen 2.898 N/A GLY 234.A N ILE 244.A O.B no hydrogen 2.924 N/A GLU 235.A N ARG 232.A O no hydrogen 2.815 N/A CYS 237.A N SER 242.A O no hydrogen 2.584 N/A CYS 240.A SG SER 242.A OG no hydrogen 3.144 N/A GLY 241.A N CYS 237.A O no hydrogen 2.873 N/A ILE 244.A N.A GLU 235.A O no hydrogen 2.727 N/A ILE 244.A N.B GLU 235.A O no hydrogen 2.719 N/A GLU 245.A N TRP 253.A O no hydrogen 2.807 N/A LYS 246.A NZ TYR 252.A OH no hydrogen 3.372 N/A THR 247.A N PHE 251.A O no hydrogen 3.171 N/A PHE 251.A N THR 247.A OG1 no hydrogen 3.085 N/A TRP 253.A N GLU 245.A O no hydrogen 3.003 N/A CYS 254.A N GLN 258.A OE1 no hydrogen 2.816 N/A GLN 258.A N CYS 254.A O no hydrogen 3.105 N/A GLN 258.A NE2 LEU 180.A O no hydrogen 2.764 N/A HIS 259.A N GLY 179.A O no hydrogen 3.051 N/A