Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3q1n_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ILE 4.A N ALA 11.A O no hydrogen 3.015 N/A GLU 5.A N ASP 86.A O no hydrogen 2.830 N/A ASN 6.A N PHE 9.A O no hydrogen 2.946 N/A LYS 8.A N ASN 6.A OD1 no hydrogen 3.116 N/A LYS 8.A NZ ASP 116.A O no hydrogen 2.710 N/A PHE 9.A N ASN 6.A OD1 no hydrogen 2.914 N/A LYS 10.A N VAL 24.A O no hydrogen 3.097 N/A ALA 11.A N ILE 4.A O no hydrogen 2.915 N/A GLY 12.A N SER 22.A O no hydrogen 2.966 N/A ILE 13.A N ILE 2.A O no hydrogen 2.837 N/A ALA 14.A N GLU 19.A O no hydrogen 2.853 N/A GLU 15.A N GLY 1.A O no hydrogen 2.998 N/A ARG 16.A NE ASP 78.A OD1 no hydrogen 2.941 N/A GLY 17.A N TYR 77.A O no hydrogen 2.862 N/A ALA 18.A N GLU 15.A O no hydrogen 3.274 N/A GLU 19.A N ALA 14.A O no hydrogen 3.030 N/A GLN 21.A N GLY 12.A O no hydrogen 2.813 N/A GLN 21.A NE2 GLU 19.A OE1 no hydrogen 3.113 N/A SER 22.A N GLY 12.A O no hydrogen 3.308 N/A SER 22.A OG.A GLU 31.A OE1 no hydrogen 2.682 N/A LEU 23.A N GLU 31.A OE2 no hydrogen 2.845 N/A VAL 24.A N LYS 10.A O no hydrogen 2.842 N/A ASN 25.A N TYR 30.A O no hydrogen 2.852 N/A ASN 25.A ND2.A ASP 28.A OD1 no hydrogen 2.905 N/A ASN 25.A ND2.B TYR 32.A OH no hydrogen 3.084 N/A LYS 26.A N LYS 8.A O no hydrogen 2.835 N/A LYS 26.A NZ GLU 5.A OE1 no hydrogen 2.837 N/A LYS 26.A NZ ASN 6.A O no hydrogen 2.676 N/A ALA 27.A N ASN 25.A OD1.B no hydrogen 3.205 N/A TYR 30.A N ASN 25.A O no hydrogen 3.206 N/A TYR 30.A N ASP 28.A OD1 no hydrogen 3.101 N/A TYR 32.A N LEU 23.A O no hydrogen 2.885 N/A TYR 32.A OH HIS 290.A O no hydrogen 2.729 N/A VAL 33.A N GLU 31.A OE2 no hydrogen 2.978 N/A TRP 34.A N ALA 141.A O no hydrogen 2.901 N/A TRP 34.A NE1 TRP 41.A O no hydrogen 2.787 N/A THR 39.A N ASP 37.A OD1 no hydrogen 2.982 N/A THR 39.A OG1 ASP 37.A OD1 no hydrogen 2.678 N/A THR 39.A OG1 ASP 37.A OD2 no hydrogen 3.519 N/A PHE 40.A N ASP 37.A O no hydrogen 3.008 N/A TRP 41.A N ASP 37.A O no hydrogen 3.063 N/A HIS 44.A N GLU 19.A OE2 no hydrogen 2.850 N/A HIS 44.A ND1 TRP 34.A O no hydrogen 2.895 N/A ALA 45.A N GLU 19.A OE2 no hydrogen 2.864 N/A LEU 48.A N GLY 137.A O no hydrogen 2.830 N/A SER 51.A OG.B SER 69.A O no hydrogen 3.525 N/A LYS 54.A NZ.B ASP 58.A OD2 no hydrogen 3.324 N/A ASN 56.A N ASP 258.A OD2 no hydrogen 2.943 N/A ASN 56.A ND2 GLN 259.A O no hydrogen 2.939 N/A ASN 56.A ND2 GLU 262.A O no hydrogen 2.905 N/A GLN 57.A NE2 GLY 261.A O no hydrogen 3.019 N/A ASP 58.A N SER 55.A O no hydrogen 2.914 N/A GLN 59.A N ASN 56.A O no hydrogen 3.052 N/A GLN 59.A NE2 GLN 57.A O no hydrogen 3.092 N/A TYR 60.A N TYR 67.A O no hydrogen 2.879 N/A TYR 60.A OH LYS 102.A O no hydrogen 2.605 N/A ARG 61.A N THR 264.A O no hydrogen 2.908 N/A LEU 62.A N LYS 65.A O no hydrogen 2.856 N/A GLY 63.A N ASP 265.A OD1 no hydrogen 3.128 N/A LYS 65.A N LEU 62.A O no hydrogen 3.172 N/A TYR 67.A N TYR 60.A O no hydrogen 2.922 N/A SER 69.A OG GLY 72.A O no hydrogen 2.753 N/A HIS 71.A N GLY 53.A O no hydrogen 2.950 N/A GLY 72.A N SER 69.A O no hydrogen 3.178 N/A PHE 73.A N PHE 49.A O no hydrogen 2.884 N/A ALA 74.A N PHE 49.A O no hydrogen 3.061 N/A ASP 76.A N PHE 73.A O no hydrogen 2.903 N/A TYR 77.A N ALA 74.A O no hydrogen 3.438 N/A PHE 79.A N GLU 15.A O no hydrogen 2.904 N/A ASP 80.A N THR 92.A O no hydrogen 2.770 N/A SER 82.A N THR 90.A O no hydrogen 2.861 N/A LYS 84.A NZ.A THR 3.A O no hydrogen 3.044 N/A LYS 84.A NZ.A SER 85.A O no hydrogen 2.866 N/A SER 85.A N ALA 88.A O no hydrogen 2.850 N/A SER 85.A OG ALA 88.A O no hydrogen 3.514 N/A SER 87.A OG.B GLU 5.A O no hydrogen 3.141 N/A VAL 89.A N TYR 113.A O no hydrogen 2.984 N/A THR 90.A N SER 82.A O no hydrogen 3.008 N/A THR 90.A OG1 THR 112.A OG1 no hydrogen 2.622 N/A PHE 91.A N VAL 111.A O no hydrogen 2.793 N/A THR 92.A N ASP 80.A O no hydrogen 2.896 N/A GLN 93.A N LEU 109.A O no hydrogen 2.933 N/A GLN 93.A NE2 ALA 74.A O no hydrogen 3.073 N/A GLN 93.A NE2 TYR 77.A O no hydrogen 3.231 N/A GLN 93.A NE2 ASP 78.A O no hydrogen 3.475 N/A GLN 95.A N GLN 95.A OE1 no hydrogen 2.885 N/A ASN 96.A N THR 99.A OG1 no hydrogen 2.965 N/A GLU 98.A N ASN 96.A OD1 no hydrogen 2.930 N/A THR 99.A N ASN 96.A OD1 no hydrogen 3.034 N/A THR 99.A OG1 ASN 96.A O no hydrogen 3.097 N/A LEU 100.A N ASN 96.A O no hydrogen 2.915 N/A LYS 101.A N GLU 98.A O no hydrogen 3.174 N/A LYS 101.A NZ GLU 98.A OE1 no hydrogen 2.827 N/A LYS 102.A N THR 99.A O no hydrogen 2.986 N/A PHE 105.A N PHE 103.A O no hydrogen 2.760 N/A GLU 106.A N ASP 129.A OD1 no hydrogen 2.881 N/A TYR 107.A N GLN 95.A OE1 no hydrogen 3.022 N/A TYR 107.A OH GLN 93.A OE1 no hydrogen 2.724 N/A THR 108.A N THR 126.A O no hydrogen 2.953 N/A THR 108.A OG1 ASP 128.A OD2 no hydrogen 2.669 N/A LEU 109.A N GLN 93.A O no hydrogen 2.872 N/A ALA 110.A N THR 124.A O no hydrogen 2.869 N/A VAL 111.A N PHE 91.A O no hydrogen 2.864 N/A THR 112.A N HIS 122.A O no hydrogen 2.911 N/A THR 112.A OG1 THR 90.A OG1 no hydrogen 2.622 N/A TYR 113.A N VAL 89.A O no hydrogen 2.861 N/A TYR 113.A OH ALA 18.A O no hydrogen 2.554 N/A THR 115.A N GLY 118.A O no hydrogen 2.812 N/A THR 115.A OG1 GLY 118.A O no hydrogen 3.377 N/A GLY 117.A N THR 115.A OG1 no hydrogen 3.095 N/A GLY 118.A N THR 115.A O no hydrogen 3.264 N/A LEU 119.A N VAL 287.A O no hydrogen 2.994 N/A VAL 121.A N LEU 285.A O no hydrogen 2.988 N/A HIS 122.A N THR 112.A O no hydrogen 2.950 N/A TYR 123.A N LEU 283.A O no hydrogen 2.765 N/A THR 124.A N ALA 110.A O no hydrogen 2.849 N/A VAL 125.A N LYS 281.A O no hydrogen 2.954 N/A THR 126.A N THR 108.A O no hydrogen 2.879 N/A ASN 127.A N ALA 279.A O no hydrogen 2.965 N/A ASN 127.A ND2 LYS 131.A O no hydrogen 2.856 N/A ASN 127.A ND2 LEU 275.A O no hydrogen 3.065 N/A ASN 127.A ND2 SER 276.A O no hydrogen 3.150 N/A ASP 128.A N GLU 106.A O no hydrogen 2.954 N/A ASP 129.A N ASN 127.A OD1 no hydrogen 2.910 N/A LYS 131.A N ASP 129.A OD2 no hydrogen 3.005 N/A LYS 131.A NZ PRO 104.A O no hydrogen 2.767 N/A LYS 131.A NZ ASP 129.A OD2 no hydrogen 2.854 N/A PHE 134.A N THR 273.A O no hydrogen 2.896 N/A ALA 135.A N PRO 50.A O no hydrogen 2.854 N/A LEU 136.A N ASP 254.A O no hydrogen 3.088 N/A GLY 137.A N LEU 48.A O no hydrogen 2.853 N/A PHE 138.A N PRO 252.A O no hydrogen 2.968 N/A HIS 139.A N PRO 46.A O no hydrogen 2.955 N/A HIS 139.A ND1 HIS 139.A O no hydrogen 2.697 N/A ALA 141.A N HIS 44.A O no hydrogen 3.041 N/A PHE 142.A N ILE 248.A O no hydrogen 2.862 N/A ASN 143.A N TYR 32.A O no hydrogen 2.985 N/A ASN 143.A ND2 GLU 31.A O no hydrogen 2.817 N/A ASN 143.A ND2 VAL 33.A O no hydrogen 3.021 N/A VAL 144.A N PRO 246.A O no hydrogen 3.095 N/A GLY 145.A N TYR 155.A OH no hydrogen 2.982 N/A LYS 147.A N SER 151.A O no hydrogen 2.769 N/A LYS 147.A NZ ASP 154.A OD1 no hydrogen 3.036 N/A GLY 150.A N LYS 147.A O no hydrogen 2.855 N/A SER 151.A N ASP 149.A OD1 no hydrogen 2.918 N/A SER 151.A OG.A ASP 149.A OD1 no hydrogen 2.717 N/A SER 151.A OG.B ASP 149.A OD1 no hydrogen 2.565 N/A SER 151.A OG.B ASP 149.A OD2 no hydrogen 3.137 N/A ASP 153.A N GLY 145.A O no hydrogen 2.986 N/A ASP 154.A N PHE 152.A O no hydrogen 2.970 N/A ASP 156.A N ALA 217.A O no hydrogen 2.965 N/A LEU 157.A N LEU 192.A O no hydrogen 2.929 N/A THR 158.A N.A THR 215.A O no hydrogen 2.919 N/A THR 158.A N.B THR 215.A O no hydrogen 2.928 N/A VAL 159.A N ASN 190.A O no hydrogen 2.966 N/A GLU 160.A N LYS 213.A O no hydrogen 2.976 N/A ASN 163.A N GLU 210.A OE2 no hydrogen 2.840 N/A GLN 167.A N ASN 208.A OD1 no hydrogen 2.891 N/A GLN 167.A NE2.A LEU 166.A O no hydrogen 3.033 N/A GLN 167.A NE2.A ASP 183.A OD1 no hydrogen 2.506 N/A ARG 168.A N GLU 182.A O no hydrogen 2.884 N/A ARG 168.A NE.A GLU 182.A OE2 no hydrogen 3.104 N/A ARG 168.A NH2.A GLU 182.A OE2 no hydrogen 3.312 N/A ARG 168.A NH2.B LEU 203.A O no hydrogen 2.948 N/A PHE 169.A N ILE 205.A O no hydrogen 2.991 N/A GLY 170.A N ASP 180.A O no hydrogen 2.780 N/A GLY 172.A N PHE 176.A O no hydrogen 2.867 N/A PHE 176.A N PRO 173.A O no hydrogen 2.776 N/A ARG 177.A N ASP 258.A O no hydrogen 2.954 N/A ARG 177.A NE PRO 257.A O no hydrogen 2.963 N/A ASN 178.A N GLY 170.A O no hydrogen 2.874 N/A ASN 178.A ND2 ASP 180.A OD1.A no hydrogen 3.417 N/A ASP 180.A N ASN 178.A OD1 no hydrogen 2.871 N/A GLU 182.A N ARG 168.A O no hydrogen 2.834 N/A ALA 187.A N ILE 184.A O no hydrogen 3.204 N/A GLU 188.A N ARG 191.A O no hydrogen 2.845 N/A ASN 190.A ND2 VAL 159.A O no hydrogen 2.949 N/A ARG 191.A N GLU 188.A O no hydrogen 3.030 N/A ARG 191.A NH1.A ASP 156.A OD2 no hydrogen 3.455 N/A ARG 191.A NH1.B ASP 156.A OD2 no hydrogen 2.874 N/A LEU 192.A N LEU 157.A O no hydrogen 2.825 N/A LEU 194.A N TYR 155.A O no hydrogen 2.868 N/A LEU 198.A N THR 195.A OG1 no hydrogen 2.931 N/A LEU 199.A N THR 195.A O no hydrogen 2.842 N/A ASP 200.A N HIS 196.A O no hydrogen 2.792 N/A GLY 202.A N LEU 199.A O no hydrogen 2.998 N/A VAL 204.A N ILE 237.A O no hydrogen 2.894 N/A LEU 206.A N LEU 235.A O no hydrogen 2.805 N/A ALA 207.A N GLN 167.A O no hydrogen 2.859 N/A ASN 208.A ND2 PRO 165.A O no hydrogen 2.975 N/A SER 209.A OG.A ALA 207.A O no hydrogen 3.560 N/A SER 209.A OG.A PRO 233.A O no hydrogen 2.927 N/A GLU 210.A N GLU 210.A OE1 no hydrogen 2.795 N/A ILE 211.A N ASN 208.A O no hydrogen 3.386 N/A ALA 212.A N GLU 160.A O no hydrogen 2.728 N/A LYS 213.A N GLU 160.A O no hydrogen 2.908 N/A LYS 213.A NZ.A GLU 288.A OE2 no hydrogen 3.116 N/A ALA 214.A N LEU 227.A O no hydrogen 2.980 N/A THR 215.A N THR 158.A O.A no hydrogen 2.793 N/A THR 215.A N THR 158.A O.B no hydrogen 2.865 N/A THR 215.A OG1 THR 226.A OG1 no hydrogen 2.575 N/A LEU 216.A N ILE 225.A O no hydrogen 2.900 N/A ALA 217.A N ASP 156.A O no hydrogen 3.241 N/A SER 218.A OG ASP 153.A O no hydrogen 2.675 N/A SER 218.A OG ASP 154.A O no hydrogen 3.394 N/A HIS 220.A N SER 218.A OG no hydrogen 3.071 N/A HIS 220.A NE2 ASP 154.A OD2 no hydrogen 2.821 N/A HIS 221.A N SER 218.A O no hydrogen 3.208 N/A HIS 221.A NE2 ASP 153.A OD2 no hydrogen 2.763 N/A HIS 223.A ND1 HIS 290.A O no hydrogen 2.737 N/A HIS 223.A NE2 ASP 28.A OD2 no hydrogen 2.643 N/A SER 224.A OG HIS 290.A ND1.A no hydrogen 3.086 N/A ILE 225.A N LEU 216.A O no hydrogen 3.230 N/A THR 226.A N GLU 288.A O no hydrogen 3.104 N/A THR 226.A OG1 THR 215.A OG1 no hydrogen 2.575 N/A LEU 227.A N ALA 214.A O no hydrogen 2.751 N/A ASP 228.A N LYS 286.A O no hydrogen 2.868 N/A ILE 229.A N ALA 212.A O no hydrogen 2.932 N/A PHE 232.A N ILE 229.A O no hydrogen 2.981 N/A TYR 234.A N PHE 253.A O no hydrogen 3.024 N/A THR 236.A N GLU 251.A O no hydrogen 2.875 N/A ILE 237.A N VAL 204.A O no hydrogen 2.874 N/A TRP 238.A N ALA 249.A O no hydrogen 3.053 N/A TRP 238.A NE1 GLU 241.A OE1.A no hydrogen 3.358 N/A TRP 238.A NE1 GLU 241.A OE1.B no hydrogen 3.231 N/A SER 239.A OG PHE 247.A O no hydrogen 2.810 N/A GLU 241.A N GLU 241.A OE1.A no hydrogen 3.035 N/A GLU 241.A N GLU 241.A OE1.B no hydrogen 2.466 N/A HIS 242.A N ASP 200.A OD1 no hydrogen 3.065 N/A LYS 243.A N PRO 240.A O no hydrogen 3.410 N/A LYS 244.A NZ ASP 149.A O no hydrogen 2.744 N/A ILE 248.A N PHE 142.A O no hydrogen 2.932 N/A ALA 249.A N TRP 238.A O no hydrogen 2.837 N/A VAL 250.A N PRO 140.A O no hydrogen 3.241 N/A GLU 251.A N THR 236.A O no hydrogen 2.724 N/A PHE 253.A N TYR 234.A O no hydrogen 2.915 N/A ASP 254.A N LEU 136.A O no hydrogen 2.765 N/A ASP 258.A N LYS 54.A O no hydrogen 3.467 N/A ALA 260.A N ARG 177.A O no hydrogen 2.839 N/A THR 264.A OG1 ASP 258.A OD1 no hydrogen 3.101 N/A TRP 266.A N ARG 61.A O no hydrogen 2.803 N/A TYR 267.A N ASP 265.A OD1 no hydrogen 3.078 N/A TYR 267.A OH SER 132.A O no hydrogen 2.611 N/A THR 268.A N ASP 265.A O no hydrogen 2.923 N/A THR 268.A OG1 ASP 265.A O no hydrogen 3.229 N/A ASN 272.A N LYS 269.A O no hydrogen 3.087 N/A ASN 272.A ND2 TRP 266.A O no hydrogen 3.025 N/A THR 273.A N PHE 134.A O no hydrogen 3.023 N/A GLY 278.A N ASN 127.A O no hydrogen 2.921 N/A ALA 279.A N SER 276.A O no hydrogen 2.970 N/A LYS 281.A N VAL 125.A O no hydrogen 2.844 N/A GLN 282.A NE2 ASN 280.A OD1 no hydrogen 3.132 N/A LEU 283.A N TYR 123.A O no hydrogen 3.004 N/A ALA 284.A N ASP 231.A OD2 no hydrogen 2.812 N/A LEU 285.A N VAL 121.A O no hydrogen 2.915 N/A LYS 286.A N ASP 228.A O no hydrogen 3.242 N/A VAL 287.A N LEU 119.A O no hydrogen 2.807 N/A GLU 288.A N THR 226.A O no hydrogen 2.680 N/A LEU 289.A N GLY 117.A O no hydrogen 2.897 N/A HIS 290.A N SER 224.A O no hydrogen 2.955 N/A HIS 290.A ND1.A SER 224.A OG no hydrogen 3.086 N/A HIS 290.A NE2.B GLU 288.A OE1 no hydrogen 3.166 N/A