Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3t0j_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): GLY 5.A N MET 1.A O no hydrogen 3.296 N/A PHE 6.A N ALA 2.A O no hydrogen 3.044 N/A ALA 7.A N LEU 3.A O no hydrogen 3.173 N/A GLN 8.A N TYR 4.A O no hydrogen 2.986 N/A GLY 9.A N GLY 5.A O no hydrogen 2.828 N/A LEU 10.A N PHE 6.A O no hydrogen 2.980 N/A ILE 11.A N ALA 7.A O no hydrogen 2.940 N/A GLN 12.A N GLN 8.A O no hydrogen 3.368 N/A GLU 13.A N GLY 9.A O no hydrogen 2.976 N/A ALA 14.A N LEU 10.A O no hydrogen 2.764 N/A GLY 15.A N ILE 11.A O no hydrogen 3.127 N/A ILE 16.A N GLN 12.A O no hydrogen 3.236 N/A ARG 17.A N GLU 13.A O no hydrogen 3.236 N/A ILE 18.A N ALA 14.A O no hydrogen 3.063 N/A LYS 19.A N GLY 15.A O no hydrogen 2.963 N/A GLN 20.A N ILE 16.A O no hydrogen 2.832 N/A LEU 21.A N ARG 17.A O no hydrogen 3.005 N/A MET 22.A N ILE 18.A O no hydrogen 2.924 N/A GLU 23.A N LYS 19.A O no hydrogen 2.811 N/A GLN 24.A N GLN 20.A O no hydrogen 3.033 N/A ASN 25.A N LEU 21.A O no hydrogen 3.300 N/A THR 33.A N ASN 29.A O no hydrogen 3.281 N/A THR 33.A OG1 ASN 29.A O no hydrogen 3.454 N/A ASN 34.A N ASP 30.A O no hydrogen 2.984 N/A VAL 35.A N LEU 31.A O no hydrogen 2.944 N/A ASP 36.A N VAL 32.A O no hydrogen 2.794 N/A LYS 37.A N THR 33.A O no hydrogen 3.002 N/A ALA 38.A N ASN 34.A O no hydrogen 2.801 N/A THR 39.A N VAL 35.A O no hydrogen 2.808 N/A THR 39.A OG1 VAL 35.A O no hydrogen 2.838 N/A GLU 40.A N ASP 36.A O no hydrogen 3.176 N/A ASP 41.A N LYS 37.A O no hydrogen 3.025 N/A PHE 42.A N ALA 38.A O no hydrogen 2.968 N/A ILE 43.A N THR 39.A O no hydrogen 2.944 N/A PHE 44.A N GLU 40.A O no hydrogen 2.791 N/A ASP 45.A N ASP 41.A O no hydrogen 2.873 N/A THR 46.A N PHE 42.A O no hydrogen 2.891 N/A THR 46.A OG1 PHE 42.A O no hydrogen 2.956 N/A ILE 47.A N ILE 43.A O no hydrogen 2.959 N/A LEU 48.A N PHE 44.A O no hydrogen 3.139 N/A GLU 49.A N ASP 45.A O no hydrogen 3.169 N/A THR 50.A N ILE 47.A O no hydrogen 3.155 N/A THR 50.A OG1 THR 46.A O no hydrogen 3.439 N/A TYR 51.A N ILE 47.A O no hydrogen 2.828 N/A HIS 54.A N TYR 51.A O no hydrogen 3.358 N/A GLN 55.A N THR 72.A O no hydrogen 2.847 N/A GLN 55.A NE2 LYS 70.A O no hydrogen 2.875 N/A LEU 57.A N TRP 74.A O no hydrogen 2.781 N/A GLY 58.A N HIS 62.A O no hydrogen 2.806 N/A GLU 59.A N VAL 76.A O no hydrogen 3.340 N/A GLU 60.A N GLU 40.A OE1 no hydrogen 3.159 N/A GLY 61.A N GLY 58.A O no hydrogen 2.938 N/A HIS 62.A NE2 ASP 41.A OD1 no hydrogen 2.905 N/A HIS 64.A N GLY 61.A O no hydrogen 3.410 N/A SER 69.A N ASP 67.A OD2 no hydrogen 3.445 N/A SER 69.A OG ASP 67.A OD1 no hydrogen 3.315 N/A SER 69.A OG ASP 67.A OD2 no hydrogen 3.085 N/A LYS 70.A N ASP 67.A O no hydrogen 3.182 N/A VAL 73.A N TYR 99.A O no hydrogen 2.829 N/A TRP 74.A N GLN 55.A O no hydrogen 2.661 N/A TRP 74.A NE1 HIS 54.A ND1 no hydrogen 3.047 N/A VAL 75.A N GLY 97.A O no hydrogen 2.766 N/A VAL 76.A N LEU 57.A O no hydrogen 2.932 N/A ASP 77.A N SER 95.A O no hydrogen 2.685 N/A ASP 80.A N ALA 93.A O no hydrogen 2.695 N/A ASN 84.A ND2 ASN 91.A O no hydrogen 3.391 N/A ASN 84.A ND2 TYR 175.A O no hydrogen 2.812 N/A PHE 85.A N GLY 81.A O no hydrogen 2.884 N/A VAL 86.A N THR 82.A O no hydrogen 2.867 N/A HIS 87.A N LEU 83.A O no hydrogen 2.812 N/A GLN 88.A N ASN 84.A O no hydrogen 2.699 N/A GLN 89.A NE2 PHE 85.A O no hydrogen 2.994 N/A GLN 89.A NE2 VAL 86.A O no hydrogen 2.662 N/A ASN 91.A ND2 GLN 88.A OE1 no hydrogen 2.901 N/A ALA 93.A N ASP 80.A O no hydrogen 3.131 N/A ILE 94.A N TYR 110.A O no hydrogen 3.032 N/A SER 95.A N ASP 77.A O no hydrogen 2.631 N/A SER 95.A OG TRP 201.A O no hydrogen 3.428 N/A ILE 96.A N PHE 108.A O no hydrogen 2.666 N/A GLY 97.A N VAL 75.A O no hydrogen 2.980 N/A ILE 98.A N ALA 106.A O no hydrogen 2.666 N/A TYR 99.A N VAL 73.A O no hydrogen 2.951 N/A TYR 99.A OH ALA 204.A O no hydrogen 3.423 N/A ILE 100.A N LYS 103.A O no hydrogen 2.955 N/A ASP 101.A N GLY 71.A O no hydrogen 2.896 N/A LYS 103.A N ILE 100.A O no hydrogen 3.038 N/A TYR 105.A N ILE 98.A O no hydrogen 3.086 N/A ALA 106.A N ILE 98.A O no hydrogen 3.200 N/A GLY 107.A N ALA 120.A O no hydrogen 2.946 N/A PHE 108.A N ILE 96.A O no hydrogen 2.649 N/A VAL 109.A N TYR 118.A O no hydrogen 3.011 N/A TYR 110.A N ILE 94.A O no hydrogen 2.896 N/A TYR 110.A OH ASP 115.A OD1 no hydrogen 2.522 N/A ASP 111.A N VAL 116.A O no hydrogen 2.947 N/A ALA 114.A N ASP 111.A OD1 no hydrogen 3.318 N/A ASP 115.A N VAL 112.A O no hydrogen 3.316 N/A VAL 116.A N ASP 111.A O no hydrogen 3.324 N/A TYR 118.A N VAL 109.A O no hydrogen 2.963 N/A HIS 119.A N TYR 127.A O no hydrogen 2.978 N/A HIS 119.A ND1 TYR 4.A OH no hydrogen 2.585 N/A HIS 119.A NE2 GLY 129.A O no hydrogen 2.527 N/A ALA 120.A N GLY 107.A O no hydrogen 3.036 N/A LYS 121.A NZ TYR 105.A OH no hydrogen 3.496 N/A VAL 122.A N TYR 105.A O no hydrogen 2.630 N/A GLY 123.A N GLU 212.A OE2 no hydrogen 2.995 N/A GLU 124.A N LYS 121.A O no hydrogen 3.034 N/A GLY 125.A N GLU 212.A OE1 no hydrogen 2.752 N/A TYR 127.A N HIS 119.A O no hydrogen 2.743 N/A ARG 128.A N GLN 131.A O no hydrogen 2.924 N/A GLY 129.A N LEU 117.A O no hydrogen 2.840 N/A GLN 131.A N ARG 128.A O no hydrogen 2.941 N/A LEU 133.A N ALA 126.A O no hydrogen 2.879 N/A LEU 136.A N VAL 213.A O no hydrogen 2.866 N/A SER 139.A N ASN 237.A OD1 no hydrogen 3.233 N/A SER 139.A OG SER 144.A OG no hydrogen 2.926 N/A ASN 140.A ND2 GLN 143.A OE1 no hydrogen 3.061 N/A LEU 141.A N GLU 243.A OE1 no hydrogen 2.850 N/A LEU 141.A N GLU 243.A OE2 no hydrogen 3.400 N/A GLN 143.A N ASN 140.A O no hydrogen 3.296 N/A SER 144.A N LEU 141.A O no hydrogen 3.069 N/A SER 144.A OG SER 139.A OG no hydrogen 2.926 N/A SER 144.A OG ASN 140.A O no hydrogen 2.291 N/A ILE 145.A N GLU 191.A OE1 no hydrogen 2.776 N/A ILE 146.A N SER 171.A O no hydrogen 3.049 N/A GLY 147.A N ALA 192.A O no hydrogen 2.675 N/A ILE 148.A N ARG 173.A O no hydrogen 2.909 N/A TRP 152.A N ASN 149.A O no hydrogen 3.089 N/A LEU 153.A N PRO 150.A O no hydrogen 3.109 N/A THR 154.A N ASN 151.A O no hydrogen 3.275 N/A THR 154.A OG1 ASN 151.A O no hydrogen 2.794 N/A LYS 155.A N TRP 152.A O no hydrogen 3.304 N/A GLY 159.A N LYS 155.A O no hydrogen 2.701 N/A ILE 161.A N ILE 157.A O no hydrogen 3.275 N/A PHE 162.A N LEU 158.A O no hydrogen 2.821 N/A LYS 163.A N GLY 159.A O no hydrogen 2.821 N/A LYS 163.A NZ GLU 160.A OE1 no hydrogen 3.090 N/A VAL 166.A N PHE 162.A O no hydrogen 2.961 N/A ASN 167.A N LYS 163.A O no hydrogen 2.968 N/A ASP 168.A N GLU 164.A O no hydrogen 3.322 N/A SER 169.A N ILE 165.A O no hydrogen 3.033 N/A SER 169.A N VAL 166.A O no hydrogen 3.192 N/A SER 169.A OG VAL 166.A O no hydrogen 3.073 N/A SER 169.A OG SER 171.A O no hydrogen 3.342 N/A ARG 170.A N SER 144.A O no hydrogen 2.982 N/A ARG 170.A NH1 ARG 170.A O no hydrogen 3.524 N/A SER 171.A N SER 144.A O no hydrogen 3.483 N/A ALA 172.A N SER 171.A OG no hydrogen 2.685 N/A ARG 173.A N ILE 146.A O no hydrogen 2.995 N/A ARG 173.A NH1 SER 171.A OG no hydrogen 2.860 N/A ARG 173.A NH1 ALA 172.A O no hydrogen 2.711 N/A TYR 175.A N GLU 181.A OE2 no hydrogen 2.794 N/A GLY 176.A N GLU 181.A OE2 no hydrogen 3.204 N/A SER 177.A OG ASP 80.A O no hydrogen 3.156 N/A SER 177.A OG ASP 80.A OD2 no hydrogen 2.680 N/A ALA 179.A N ASP 80.A OD2 no hydrogen 2.896 N/A LEU 180.A N SER 177.A OG no hydrogen 3.203 N/A GLU 181.A N SER 177.A O no hydrogen 2.779 N/A ILE 182.A N ALA 178.A O no hydrogen 2.675 N/A VAL 183.A N ALA 179.A O no hydrogen 3.128 N/A SER 184.A N LEU 180.A O no hydrogen 2.737 N/A SER 184.A OG LEU 180.A O no hydrogen 3.340 N/A VAL 185.A N GLU 181.A O no hydrogen 3.125 N/A VAL 185.A N ILE 182.A O no hydrogen 2.859 N/A ALA 186.A N ILE 182.A O no hydrogen 3.080 N/A THR 187.A N VAL 183.A O no hydrogen 2.866 N/A THR 187.A OG1 SER 184.A O no hydrogen 3.381 N/A GLY 188.A N VAL 185.A O no hydrogen 3.038 N/A ASN 189.A N THR 187.A OG1 no hydrogen 3.388 N/A LEU 190.A N SER 184.A O no hydrogen 3.023 N/A GLU 191.A N ILE 145.A O no hydrogen 2.819 N/A TYR 193.A N VAL 235.A O no hydrogen 2.810 N/A MET 194.A N GLY 147.A O no hydrogen 3.129 N/A THR 195.A N ILE 233.A O no hydrogen 3.144 N/A THR 195.A OG1 ARG 197.A O no hydrogen 3.408 N/A ARG 197.A NE ARG 197.A O no hydrogen 2.844 N/A LEU 198.A N ASN 231.A O no hydrogen 2.983 N/A ASP 202.A N GLN 199.A O no hydrogen 2.854 N/A PHE 203.A N PRO 200.A O no hydrogen 3.159 N/A ALA 204.A N PRO 200.A O no hydrogen 2.954 N/A LEU 207.A N PHE 203.A O no hydrogen 2.836 N/A LEU 210.A N GLY 206.A O no hydrogen 2.887 N/A TYR 211.A N LEU 207.A O no hydrogen 2.700 N/A GLU 212.A N VAL 208.A O no hydrogen 3.081 N/A GLU 212.A N ILE 209.A O no hydrogen 3.034 N/A VAL 213.A N LEU 210.A O no hydrogen 3.224 N/A ASN 214.A N TYR 211.A O no hydrogen 3.348 N/A GLY 215.A N LEU 210.A O no hydrogen 3.092 N/A GLN 216.A N GLY 236.A O no hydrogen 3.027 N/A ALA 217.A N TYR 211.A OH no hydrogen 3.397 N/A SER 218.A N LEU 234.A O no hydrogen 3.075 N/A SER 218.A OG ASN 219.A O no hydrogen 2.976 N/A SER 218.A OG HIS 241.A NE2 no hydrogen 3.079 N/A ASN 219.A N GLU 223.A O no hydrogen 2.810 N/A ASN 219.A ND2 GLU 223.A OE2 no hydrogen 3.054 N/A ASN 219.A ND2 ASN 231.A OD1 no hydrogen 2.795 N/A LEU 220.A N SER 232.A OG no hydrogen 2.960 N/A LEU 221.A N ASN 219.A OD1 no hydrogen 3.000 N/A GLY 222.A N ASN 219.A O no hydrogen 2.939 N/A GLU 223.A N ASN 219.A OD1 no hydrogen 2.703 N/A THR 226.A OG1 SER 228.A OG no hydrogen 3.019 N/A SER 228.A OG THR 226.A OG1 no hydrogen 3.019 N/A ASN 231.A N LEU 198.A O no hydrogen 3.062 N/A SER 232.A N ASN 231.A OD1 no hydrogen 3.009 N/A ILE 233.A N THR 195.A O no hydrogen 2.682 N/A LEU 234.A N SER 218.A O no hydrogen 2.696 N/A VAL 235.A N TYR 193.A O no hydrogen 2.865 N/A GLY 236.A N GLN 216.A O no hydrogen 3.182 N/A ASN 237.A N GLU 191.A O no hydrogen 3.252 N/A ASN 237.A ND2 SER 139.A OG no hydrogen 2.808 N/A ARG 238.A NE ASN 214.A O no hydrogen 3.106 N/A GLY 239.A N ASP 138.A OD1 no hydrogen 2.914 N/A LEU 240.A N ASN 237.A OD1 no hydrogen 3.220 N/A HIS 241.A N ASN 237.A O no hydrogen 2.965 N/A HIS 241.A NE2 LEU 234.A O no hydrogen 2.891 N/A GLN 242.A N ARG 238.A O no hydrogen 2.924 N/A GLU 243.A N GLY 239.A O no hydrogen 2.847 N/A ILE 244.A N LEU 240.A O no hydrogen 2.751 N/A SER 245.A N HIS 241.A O no hydrogen 3.004 N/A ASN 246.A N GLN 242.A O no hydrogen 2.869 N/A ASP 247.A N GLU 243.A O no hydrogen 3.074 N/A TYR 248.A N ILE 244.A O no hydrogen 3.207 N/A TYR 248.A OH ASP 168.A OD1 no hydrogen 2.708 N/A LEU 249.A N ILE 244.A O no hydrogen 2.928 N/A GLU 250.A N SER 245.A O no hydrogen 2.705 N/A HIS 252.A N LEU 249.A O no hydrogen 2.686 N/A HIS 252.A NE2 GLU 164.A OE2.A no hydrogen 2.894 N/A HIS 253.A N GLU 250.A O no hydrogen 2.994 N/A LEU 256.A N HIS 252.A O no hydrogen 3.003 N/A ILE 257.A N HIS 253.A O no hydrogen 2.780 N/A GLN 258.A N ASP 254.A O no hydrogen 3.038 N/A LEU 259.A N ALA 255.A O no hydrogen 3.021 N/A HIS 260.A N LEU 256.A O no hydrogen 2.780 N/A GLU 261.A N ILE 257.A O no hydrogen 2.880 N/A GLN 262.A N GLN 258.A O no hydrogen 2.943 N/A ARG 263.A N LEU 259.A O no hydrogen 3.104 N/A PHE 264.A N HIS 260.A O no hydrogen 2.912 N/A LYS 265.A N GLU 261.A O no hydrogen 3.102 N/A