Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3jr1_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): PHE 4.A N ASN 1.A O no hydrogen 3.015 N/A GLN 5.A N ASN 1.A O no hydrogen 3.221 N/A GLY 6.A N LEU 2.A O no hydrogen 3.332 N/A LYS 8.A N GLN 5.A O no hydrogen 3.174 N/A SER 9.A N GLY 6.A O no hydrogen 3.002 N/A SER 9.A OG GLY 6.A O no hydrogen 3.031 N/A SER 9.A OG ASN 85.A O no hydrogen 3.414 N/A SER 11.A N TRP 7.A O no hydrogen 2.844 N/A SER 11.A OG TRP 7.A O no hydrogen 3.272 N/A SER 11.A OG TYR 22.A O no hydrogen 3.132 N/A GLN 12.A N LYS 8.A O no hydrogen 2.985 N/A VAL 13.A N SER 9.A O no hydrogen 2.935 N/A LEU 14.A N ILE 10.A O no hydrogen 2.875 N/A ALA 15.A N SER 11.A O no hydrogen 2.741 N/A GLU 16.A N GLN 12.A O no hydrogen 3.213 N/A GLN 17.A N VAL 13.A O no hydrogen 3.152 N/A PHE 18.A N LEU 14.A O no hydrogen 2.912 N/A GLY 19.A N ALA 15.A O no hydrogen 2.788 N/A TYR 22.A OH GLN 45.A O no hydrogen 2.768 N/A LYS 25.A N ASN 41.A O no hydrogen 2.755 N/A HIS 26.A N ASN 41.A O no hydrogen 3.081 N/A GLU 28.A N LEU 39.A O no hydrogen 2.741 N/A LYS 29.A NZ GLU 36.A OE2 no hydrogen 3.039 N/A LEU 30.A N ILE 37.A O no hydrogen 2.801 N/A SER 32.A OG GLU 34.A O no hydrogen 3.558 N/A SER 32.A OG ASN 35.A O no hydrogen 2.798 N/A GLU 36.A N ILE 51.A O no hydrogen 3.032 N/A TRP 38.A N VAL 49.A O no hydrogen 2.954 N/A TRP 38.A NE1 GLU 36.A OE2 no hydrogen 2.972 N/A LEU 39.A N GLU 28.A O no hydrogen 2.748 N/A ILE 40.A N VAL 47.A O no hydrogen 2.980 N/A ASN 41.A N HIS 26.A O no hydrogen 2.948 N/A ASN 41.A ND2 HIS 26.A ND1.A no hydrogen 2.993 N/A GLU 43.A N ASN 41.A OD1 no hydrogen 2.894 N/A VAL 44.A N ASP 42.A OD1 no hydrogen 2.936 N/A GLN 45.A N ASP 42.A OD1 no hydrogen 2.815 N/A GLN 45.A NE2 TYR 81.A OH no hydrogen 3.334 N/A VAL 47.A N ILE 40.A O no hydrogen 2.755 N/A PHE 48.A N LEU 94.A O no hydrogen 2.861 N/A VAL 49.A N TRP 38.A O no hydrogen 2.898 N/A LYS 50.A N LEU 92.A O no hydrogen 2.965 N/A LYS 50.A NZ GLU 62.A OE1 no hydrogen 3.289 N/A LYS 50.A NZ GLU 62.A OE2 no hydrogen 2.522 N/A LYS 50.A NZ ASN 214.A OD1 no hydrogen 2.506 N/A ILE 51.A N GLU 36.A O no hydrogen 2.942 N/A ASN 52.A N SER 90.A O no hydrogen 3.165 N/A ASN 52.A ND2 ASN 35.A OD1 no hydrogen 2.793 N/A GLU 53.A N ASN 52.A OD1 no hydrogen 2.876 N/A ARG 54.A NE GLN 87.A O no hydrogen 3.207 N/A TYR 56.A N GLU 53.A O no hydrogen 3.205 N/A ARG 57.A N ARG 54.A O no hydrogen 3.265 N/A ARG 57.A NH1 ASN 85.A OD1 no hydrogen 2.946 N/A ARG 60.A N ARG 57.A O no hydrogen 2.790 N/A ALA 61.A N SER 58.A O no hydrogen 2.878 N/A ALA 63.A N PHE 59.A O no hydrogen 3.037 N/A ASP 64.A N ARG 60.A O no hydrogen 2.968 N/A GLN 65.A N ALA 61.A O no hydrogen 2.985 N/A GLN 65.A NE2 ALA 61.A O no hydrogen 3.079 N/A LEU 66.A N GLU 62.A O no hydrogen 3.078 N/A ALA 67.A N ALA 63.A O no hydrogen 2.956 N/A LEU 68.A N ASP 64.A O no hydrogen 2.944 N/A LEU 69.A N GLN 65.A O no hydrogen 2.844 N/A ALA 70.A N LEU 66.A O no hydrogen 2.851 N/A LYS 71.A N ALA 67.A O no hydrogen 2.913 N/A THR 72.A N LEU 69.A O no hydrogen 3.093 N/A THR 72.A OG1 LEU 69.A O no hydrogen 2.762 N/A THR 72.A OG1 SER 74.A OG no hydrogen 2.917 N/A ASN 73.A N ALA 70.A O no hydrogen 3.229 N/A SER 74.A OG THR 72.A OG1 no hydrogen 2.917 N/A ILE 75.A N SER 74.A OG no hydrogen 2.538 N/A LEU 79.A N GLU 95.A OE1 no hydrogen 3.004 N/A TYR 81.A N LEU 93.A O no hydrogen 2.766 N/A GLY 82.A N LEU 93.A O no hydrogen 3.369 N/A ASN 85.A ND2 SER 86.A O no hydrogen 2.835 N/A SER 86.A N HIS 89.A O no hydrogen 2.723 N/A SER 86.A OG HIS 89.A O no hydrogen 3.238 N/A HIS 89.A N SER 86.A OG no hydrogen 3.189 N/A SER 90.A N ASN 52.A O no hydrogen 3.050 N/A SER 90.A OG GLU 53.A O no hydrogen 2.593 N/A PHE 91.A N GLY 84.A O no hydrogen 3.059 N/A LEU 92.A N LYS 50.A O no hydrogen 2.864 N/A LEU 93.A N GLY 82.A O no hydrogen 2.944 N/A LEU 94.A N PHE 48.A O no hydrogen 2.771 N/A GLU 95.A N LEU 79.A O no hydrogen 2.953 N/A SER 100.A N GLN 205.A O no hydrogen 2.879 N/A LYS 103.A N GLN 205.A OE1 no hydrogen 3.193 N/A GLN 104.A NE2 ASN 238.A OD1 no hydrogen 3.255 N/A SER 106.A N LYS 103.A O no hydrogen 2.975 N/A SER 106.A OG ASP 208.A O no hydrogen 3.268 N/A PHE 107.A N GLN 104.A O no hydrogen 3.037 N/A THR 108.A N SER 105.A O no hydrogen 3.051 N/A PHE 110.A N SER 106.A O no hydrogen 3.094 N/A ALA 111.A N PHE 107.A O no hydrogen 3.150 N/A GLU 112.A N THR 108.A O no hydrogen 3.295 N/A LYS 113.A N ILE 109.A O no hydrogen 3.006 N/A ILE 114.A N PHE 110.A O no hydrogen 2.710 N/A ALA 115.A N ALA 111.A O no hydrogen 2.922 N/A GLN 116.A N GLU 112.A O no hydrogen 3.044 N/A GLN 116.A NE2 ASN 73.A O no hydrogen 3.072 N/A LEU 117.A N LYS 113.A O no hydrogen 2.876 N/A HIS 118.A N ILE 114.A O no hydrogen 2.988 N/A HIS 118.A ND1 TYR 243.A OH no hydrogen 2.867 N/A HIS 118.A NE2 ASP 225.A OD2 no hydrogen 2.717 N/A GLN 119.A N ALA 115.A O no hydrogen 2.867 N/A GLN 119.A N GLN 116.A O no hydrogen 3.190 N/A ILE 120.A N LEU 117.A O no hydrogen 3.390 N/A TYR 126.A N GLN 144.A O no hydrogen 2.899 N/A TYR 126.A OH PRO 189.A O no hydrogen 2.448 N/A GLY 127.A N TRP 219.A O no hydrogen 2.952 N/A LEU 128.A N ASN 141.A O no hydrogen 3.114 N/A THR 132.A OG1 CYS 217.A O no hydrogen 2.702 N/A LEU 134.A N ILE 137.A O no hydrogen 2.996 N/A GLN 139.A N THR 132.A O no hydrogen 2.618 N/A GLN 139.A NE2 THR 132.A OG1 no hydrogen 2.822 N/A GLN 139.A NE2 ALA 216.A O no hydrogen 2.881 N/A ASN 141.A N ASP 131.A OD1 no hydrogen 3.135 N/A ASN 141.A ND2 PHE 130.A O no hydrogen 3.098 N/A ASN 141.A ND2 THR 132.A OG1 no hydrogen 3.267 N/A ASN 141.A ND2 CYS 217.A O no hydrogen 3.547 N/A TRP 143.A NE1 ASP 129.A OD1 no hydrogen 3.166 N/A GLN 144.A N TYR 126.A O no hydrogen 2.989 N/A GLN 144.A NE2 ASP 142.A OD2 no hydrogen 3.036 N/A TRP 147.A N ASN 188.A OD1 no hydrogen 2.951 N/A TRP 147.A NE1 TYR 260.A OH no hydrogen 2.962 N/A LYS 149.A N SER 146.A OG no hydrogen 3.194 N/A LYS 149.A NZ GLN 144.A OE1 no hydrogen 2.976 N/A PHE 150.A N SER 146.A O no hydrogen 2.925 N/A PHE 151.A N TRP 147.A O no hydrogen 2.766 N/A SER 152.A N ALA 148.A O no hydrogen 3.131 N/A SER 152.A OG VAL 177.A O no hydrogen 3.131 N/A GLU 153.A N LYS 149.A O no hydrogen 2.987 N/A ASN 154.A N PHE 150.A O no hydrogen 2.913 N/A ASN 154.A ND2 PRO 140.A O no hydrogen 3.252 N/A ASN 154.A ND2 ASP 142.A OD1 no hydrogen 3.505 N/A ARG 155.A N PHE 151.A O no hydrogen 3.264 N/A ARG 155.A NH1 PRO 140.A O no hydrogen 3.057 N/A ARG 155.A NH1 ASN 154.A O no hydrogen 2.913 N/A ARG 155.A NH2 ASN 141.A OD1 no hydrogen 2.808 N/A ILE 156.A N PHE 151.A O no hydrogen 3.029 N/A GLY 157.A N SER 152.A O no hydrogen 2.912 N/A TRP 158.A N GLU 153.A O no hydrogen 2.995 N/A TRP 158.A NE1 TYR 138.A O no hydrogen 2.963 N/A GLN 159.A N ARG 155.A O no hydrogen 2.932 N/A GLN 159.A NE2 GLN 159.A O no hydrogen 3.160 N/A LEU 160.A N ILE 156.A O no hydrogen 2.875 N/A GLN 161.A N GLY 157.A O no hydrogen 3.083 N/A ILE 162.A N TRP 158.A O no hydrogen 3.109 N/A CYS 163.A N GLN 159.A O no hydrogen 2.885 N/A CYS 163.A SG GLN 159.A O no hydrogen 3.392 N/A CYS 163.A SG LEU 266.A O no hydrogen 3.435 N/A LYS 164.A N LEU 160.A O no hydrogen 2.825 N/A GLU 165.A N GLN 161.A O no hydrogen 3.061 N/A LYS 166.A N ILE 162.A O no hydrogen 3.370 N/A LYS 166.A N CYS 163.A O no hydrogen 2.929 N/A GLY 167.A N LYS 164.A O no hydrogen 2.795 N/A LEU 168.A N CYS 163.A O no hydrogen 2.995 N/A LEU 175.A N ASN 172.A OD1 no hydrogen 2.809 N/A ILE 176.A N ASN 172.A O no hydrogen 3.106 N/A VAL 177.A N ILE 173.A O no hydrogen 2.890 N/A GLN 178.A N ASP 174.A O no hydrogen 2.855 N/A ILE 179.A N LEU 175.A O no hydrogen 2.852 N/A VAL 180.A N ILE 176.A O no hydrogen 2.906 N/A ALA 181.A N VAL 177.A O no hydrogen 2.747 N/A ASP 182.A N GLN 178.A O no hydrogen 2.693 N/A THR 183.A N ILE 179.A O no hydrogen 3.096 N/A THR 183.A OG1 ILE 179.A O no hydrogen 2.900 N/A LEU 184.A N VAL 180.A O no hydrogen 3.246 N/A SER 185.A N ASP 182.A O no hydrogen 3.012 N/A HIS 187.A N LEU 184.A O no hydrogen 2.769 N/A HIS 187.A NE2 ASP 221.A OD2 no hydrogen 2.752 N/A ASN 188.A ND2 THR 145.A O no hydrogen 2.804 N/A LYS 190.A NZ HIS 118.A O no hydrogen 2.886 N/A LYS 190.A NZ ILE 120.A O no hydrogen 3.115 N/A LYS 190.A NZ PRO 191.A O no hydrogen 2.828 N/A LYS 190.A NZ SER 192.A OG no hydrogen 3.074 N/A SER 192.A N GLY 220.A O no hydrogen 2.842 N/A SER 192.A OG HIS 118.A O no hydrogen 2.856 N/A LEU 194.A N TYR 218.A O no hydrogen 2.978 N/A HIS 195.A N ASP 225.A OD2 no hydrogen 3.059 N/A GLY 196.A N ASP 225.A OD1 no hydrogen 2.967 N/A ASN 197.A N HIS 195.A ND1 no hydrogen 3.014 N/A ASN 197.A ND2 ASN 214.A O no hydrogen 3.038 N/A ASN 202.A N TRP 199.A O no hydrogen 2.880 N/A ASN 202.A ND2 ASN 197.A O no hydrogen 2.772 N/A CYS 203.A N ILE 200.A O no hydrogen 3.003 N/A CYS 203.A SG TRP 199.A O no hydrogen 3.856 N/A ILE 204.A N PHE 211.A O no hydrogen 2.776 N/A GLN 205.A NE2 SER 106.A OG no hydrogen 2.782 N/A GLN 205.A NE2 ASP 207.A O no hydrogen 3.050 N/A VAL 206.A N LYS 209.A O no hydrogen 2.814 N/A ASP 207.A N SER 100.A OG no hydrogen 3.017 N/A LYS 209.A N VAL 206.A O no hydrogen 3.179 N/A LYS 209.A NZ VAL 206.A O no hydrogen 3.498 N/A PHE 211.A N ILE 204.A O no hydrogen 2.734 N/A VAL 212.A N ASN 76.A O no hydrogen 3.020 N/A CYS 213.A N ASN 202.A O no hydrogen 3.035 N/A ASN 214.A ND2 ASN 202.A OD1 no hydrogen 3.196 N/A ALA 216.A N HIS 195.A O no hydrogen 2.897 N/A CYS 217.A N GLN 65.A OE1 no hydrogen 2.852 N/A CYS 217.A SG GLN 65.A OE1 no hydrogen 3.713 N/A CYS 217.A SG LEU 194.A O no hydrogen 3.599 N/A CYS 217.A SG HIS 195.A O no hydrogen 3.781 N/A TRP 219.A N GLY 127.A O no hydrogen 2.755 N/A GLY 220.A N SER 192.A O no hydrogen 2.943 N/A ARG 222.A NH1 TYR 243.A OH no hydrogen 2.858 N/A ARG 222.A NH1 TYR 247.A O no hydrogen 3.042 N/A ARG 222.A NH2 TYR 247.A O no hydrogen 3.515 N/A ARG 222.A NH2 PRO 248.A O no hydrogen 2.880 N/A GLU 223.A N ASP 221.A OD1 no hydrogen 3.211 N/A CYS 224.A N ASP 221.A O no hydrogen 2.988 N/A CYS 224.A SG ASP 221.A O no hydrogen 3.534 N/A ASP 225.A N ARG 222.A O no hydrogen 3.128 N/A ILE 226.A N ARG 222.A O no hydrogen 3.488 N/A ALA 227.A N GLU 223.A O no hydrogen 2.772 N/A PHE 228.A N CYS 224.A O no hydrogen 3.021 N/A SER 229.A N ASP 225.A O no hydrogen 3.077 N/A SER 229.A OG ILE 226.A O no hydrogen 2.622 N/A SER 229.A OG TYR 240.A OH no hydrogen 2.909 N/A SER 230.A N ALA 227.A O no hydrogen 3.314 N/A SER 230.A OG ALA 227.A O no hydrogen 3.275 N/A LEU 231.A N PHE 228.A O no hydrogen 3.047 N/A PHE 235.A N TYR 240.A OH no hydrogen 3.396 N/A ASN 238.A ND2 GLN 104.A O no hydrogen 3.103 N/A ASN 238.A ND2 THR 108.A OG1 no hydrogen 2.833 N/A PHE 239.A N PRO 236.A O no hydrogen 3.190 N/A TYR 240.A OH SER 229.A OG no hydrogen 2.909 N/A GLN 241.A N THR 237.A O no hydrogen 3.057 N/A GLN 241.A NE2 GLU 245.A OE1 no hydrogen 3.227 N/A ARG 242.A N ASN 238.A O no hydrogen 3.032 N/A ARG 242.A NE GLU 112.A OE2 no hydrogen 2.853 N/A ARG 242.A NH2 GLU 112.A OE2 no hydrogen 2.858 N/A TYR 243.A N PHE 239.A O no hydrogen 2.895 N/A TYR 243.A OH HIS 118.A ND1 no hydrogen 2.867 N/A ASN 244.A N TYR 240.A O no hydrogen 3.052 N/A GLU 245.A N GLN 241.A O no hydrogen 3.109 N/A ILE 246.A N ARG 242.A O no hydrogen 3.069 N/A TYR 247.A N TYR 243.A O no hydrogen 2.823 N/A LEU 249.A N ASN 244.A OD1 no hydrogen 3.073 N/A TYR 253.A N GLU 250.A O no hydrogen 3.360 N/A GLU 255.A N GLY 252.A O no hydrogen 3.190 N/A ARG 256.A N GLY 252.A O no hydrogen 3.160 N/A ARG 256.A NE GLU 223.A OE1 no hydrogen 2.858 N/A ARG 256.A NH1 GLU 251.A O no hydrogen 3.412 N/A ARG 256.A NH2 GLU 223.A OE1 no hydrogen 3.241 N/A ARG 256.A NH2 GLU 223.A OE2 no hydrogen 2.961 N/A ARG 256.A NH2 GLU 251.A O no hydrogen 3.127 N/A LYS 257.A N TYR 253.A O no hydrogen 2.698 N/A TYR 260.A N ARG 256.A O no hydrogen 2.963 N/A TYR 260.A OH ASP 221.A OD2 no hydrogen 2.488 N/A GLN 261.A N LYS 257.A O no hydrogen 2.855 N/A GLN 261.A NE2 ALA 227.A O no hydrogen 2.947 N/A LEU 262.A N LEU 258.A O no hydrogen 2.968 N/A TYR 263.A N TYR 260.A O no hydrogen 3.205 N/A TYR 263.A OH GLN 139.A OE1 no hydrogen 2.765 N/A TYR 264.A OH GLY 196.A O no hydrogen 3.133 N/A LEU 265.A N GLN 261.A O no hydrogen 3.092 N/A LEU 266.A N LEU 262.A O no hydrogen 3.005 N/A ASN 267.A N TYR 263.A O no hydrogen 3.065 N/A ASN 267.A ND2 LEU 134.A O no hydrogen 3.204 N/A ASN 267.A ND2 GLN 159.A OE1 no hydrogen 2.618 N/A PHE 268.A N TYR 264.A O no hydrogen 2.742 N/A SER 269.A N LEU 265.A O no hydrogen 2.702 N/A SER 269.A OG LEU 265.A O no hydrogen 2.733 N/A SER 269.A OG THR 283.A OG1 no hydrogen 2.886 N/A TYR 270.A N LEU 266.A O no hydrogen 2.993 N/A ARG 271.A N ASN 267.A O no hydrogen 2.982 N/A ARG 271.A NH1 ASN 267.A OD1 no hydrogen 2.750 N/A ARG 271.A NH2 GLU 34.A OE1 no hydrogen 3.052 N/A TYR 272.A N PHE 268.A O no hydrogen 2.874 N/A TYR 272.A OH GLU 34.A OE2 no hydrogen 2.718 N/A LYS 275.A N TYR 272.A O no hydrogen 2.968 N/A LYS 276.A N TYR 272.A O no hydrogen 3.139 N/A LEU 282.A N SER 278.A O no hydrogen 2.974 N/A THR 283.A N TYR 279.A O no hydrogen 2.975 N/A THR 283.A OG1 SER 269.A OG no hydrogen 2.886 N/A THR 283.A OG1 TYR 279.A O no hydrogen 2.727 N/A GLN 284.A N VAL 280.A O no hydrogen 2.789 N/A GLN 284.A NE2 PHE 170.A O no hydrogen 2.919 N/A GLN 284.A NE2 GLN 284.A O no hydrogen 3.518 N/A GLN 284.A NE2 ASN 288.A OD1 no hydrogen 3.283 N/A LYS 285.A N SER 281.A O no hydrogen 3.050 N/A LEU 286.A N LEU 282.A O no hydrogen 2.938 N/A ILE 287.A N THR 283.A O no hydrogen 2.916 N/A ASN 288.A N GLN 284.A O no hydrogen 2.999 N/A GLN 289.A N LYS 285.A O no hydrogen 3.119 N/A ILE 290.A N LEU 286.A O no hydrogen 3.222 N/A LEU 291.A N ILE 287.A O no hydrogen 2.853 N/A HIS 292.A N ASN 288.A O no hydrogen 2.655 N/A