Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 2w2q_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): TRP 4.A NE1 GLU 194.A O no hydrogen 2.978 N/A ASN 5.A ND2 HIS 219.A NE2 no hydrogen 2.847 N/A LEU 6.A N PRO 3.A O no hydrogen 3.126 N/A GLU 7.A N PRO 3.A O no hydrogen 3.263 N/A ARG 8.A N TRP 4.A O no hydrogen 2.959 N/A ARG 8.A NH1 ALA 169.A O no hydrogen 2.778 N/A ARG 8.A NH1 ASP 171.A OD1 no hydrogen 3.264 N/A ARG 8.A NH2 ALA 169.A O no hydrogen 2.919 N/A ILE 9.A N ASN 5.A O no hydrogen 3.387 N/A THR 10.A N GLU 7.A O no hydrogen 3.189 N/A THR 10.A OG1 LEU 6.A O no hydrogen 2.765 N/A GLU 17.A N PRO 110.A O no hydrogen 3.022 N/A VAL 18.A N SER 74.A O no hydrogen 3.262 N/A TYR 19.A N VAL 112.A O no hydrogen 2.739 N/A LEU 20.A N ARG 76.A O no hydrogen 2.864 N/A LEU 21.A N LEU 114.A O no hydrogen 3.262 N/A ASP 22.A N LEU 78.A O no hydrogen 3.127 N/A THR 23.A OG1 ASP 22.A OD1 no hydrogen 3.126 N/A THR 23.A OG1 SER 24.A O no hydrogen 2.894 N/A SER 24.A OG ASP 52.A OD2 no hydrogen 3.567 N/A GLN 26.A N THR 56.A OG1 no hydrogen 2.680 N/A GLN 26.A NE2 ASP 28.A OD1 no hydrogen 3.258 N/A HIS 29.A N GLN 26.A O no hydrogen 3.141 N/A ARG 30.A N SER 204.A O no hydrogen 2.800 N/A ARG 30.A NH2 ASP 66.A OD2 no hydrogen 3.114 N/A ILE 32.A N HIS 29.A O no hydrogen 2.966 N/A GLU 33.A N HIS 29.A O no hydrogen 2.704 N/A ARG 35.A N ILE 32.A O no hydrogen 2.853 N/A VAL 36.A N ILE 32.A O no hydrogen 3.267 N/A MET 37.A N MET 75.A O no hydrogen 2.766 N/A THR 39.A N SER 77.A O no hydrogen 3.168 N/A THR 39.A OG1 SER 77.A O no hydrogen 2.884 N/A ASP 40.A N ASP 40.A OD2 no hydrogen 2.530 N/A PHE 41.A N THR 39.A OG1 no hydrogen 3.271 N/A ASN 43.A N ARG 79.A O no hydrogen 3.023 N/A GLU 47.A N GLU 47.A OE1 no hydrogen 2.966 N/A ASP 48.A N GLN 84.A OE1 no hydrogen 3.071 N/A SER 53.A N LYS 50.A O no hydrogen 3.424 N/A SER 53.A OG LYS 50.A O no hydrogen 2.928 N/A HIS 54.A ND1 ASP 22.A OD1 no hydrogen 2.685 N/A GLY 55.A N THR 23.A OG1 no hydrogen 2.783 N/A THR 56.A N ASP 52.A O no hydrogen 2.883 N/A THR 56.A OG1 ASP 52.A O no hydrogen 2.754 N/A HIS 57.A N SER 53.A O no hydrogen 3.137 N/A HIS 57.A NE2 ILE 196.A O no hydrogen 2.804 N/A LEU 58.A N HIS 54.A O no hydrogen 3.249 N/A ALA 59.A N GLY 55.A O no hydrogen 2.966 N/A GLY 60.A N THR 56.A O no hydrogen 3.111 N/A VAL 61.A N HIS 57.A O no hydrogen 2.882 N/A VAL 62.A N LEU 58.A O no hydrogen 3.084 N/A SER 63.A N ALA 59.A O no hydrogen 2.956 N/A SER 63.A OG ALA 59.A O no hydrogen 2.914 N/A GLY 64.A N GLY 60.A O no hydrogen 2.706 N/A ARG 65.A N GLU 31.A O no hydrogen 3.092 N/A ASP 66.A N GLU 31.A OE1 no hydrogen 2.820 N/A ALA 67.A N GLU 31.A OE2 no hydrogen 3.036 N/A GLY 68.A N GLY 64.A O no hydrogen 2.835 N/A VAL 69.A N VAL 61.A O no hydrogen 2.784 N/A ALA 70.A N VAL 62.A O no hydrogen 2.702 N/A LYS 71.A NZ GLY 68.A O no hydrogen 2.796 N/A ALA 73.A N ALA 70.A O no hydrogen 2.770 N/A SER 74.A OG GLU 17.A OE1 no hydrogen 3.500 N/A SER 74.A OG GLU 17.A OE2 no hydrogen 2.716 N/A MET 75.A N ARG 35.A O no hydrogen 3.021 N/A ARG 76.A N VAL 18.A O no hydrogen 2.834 N/A ARG 76.A NE TYR 19.A OH no hydrogen 3.554 N/A SER 77.A N MET 37.A O no hydrogen 2.926 N/A LEU 78.A N LEU 20.A O no hydrogen 2.737 N/A ARG 79.A N PHE 41.A O no hydrogen 3.106 N/A ARG 79.A NH2 GLU 42.A OE1 no hydrogen 2.795 N/A VAL 80.A N ASP 22.A O no hydrogen 2.884 N/A LEU 81.A N ASP 22.A O no hydrogen 3.194 N/A ASN 82.A N LYS 86.A O no hydrogen 2.840 N/A ASN 82.A ND2 PRO 45.A O no hydrogen 3.203 N/A CYS 83.A N GLU 47.A OE2 no hydrogen 2.740 N/A CYS 83.A SG GLU 47.A OE2 no hydrogen 3.349 N/A GLN 84.A N ASN 82.A OD1 no hydrogen 3.019 N/A GLY 85.A N ASN 82.A O no hydrogen 2.976 N/A LYS 86.A N ASN 82.A OD1 no hydrogen 2.911 N/A LYS 86.A NZ ASP 48.A OD2 no hydrogen 3.010 N/A THR 88.A OG1 SER 90.A OG no hydrogen 3.332 N/A SER 90.A OG THR 88.A OG1 no hydrogen 3.332 N/A GLY 91.A N THR 88.A OG1 no hydrogen 2.935 N/A THR 92.A N THR 88.A O no hydrogen 3.155 N/A THR 92.A OG1 THR 88.A O no hydrogen 2.752 N/A LEU 93.A N VAL 89.A O no hydrogen 2.802 N/A ILE 94.A N SER 90.A O no hydrogen 2.958 N/A GLY 95.A N GLY 91.A O no hydrogen 2.977 N/A LEU 96.A N THR 92.A O no hydrogen 2.968 N/A GLU 97.A N LEU 93.A O no hydrogen 2.925 N/A PHE 98.A N ILE 94.A O no hydrogen 2.927 N/A ILE 99.A N GLY 95.A O no hydrogen 3.071 N/A ARG 100.A N LEU 96.A O no hydrogen 3.030 N/A ARG 100.A NH1 GLN 103.A OE1 no hydrogen 2.671 N/A LYS 101.A N GLU 97.A O no hydrogen 3.259 N/A SER 102.A N PHE 98.A O no hydrogen 3.215 N/A SER 102.A OG PHE 98.A O no hydrogen 3.059 N/A GLN 103.A N ILE 99.A O no hydrogen 2.841 N/A GLN 103.A NE2 ALA 135.A O no hydrogen 3.024 N/A LEU 104.A N LYS 101.A O no hydrogen 2.995 N/A VAL 105.A N LYS 101.A O no hydrogen 2.820 N/A GLN 106.A N SER 102.A O no hydrogen 3.098 N/A VAL 112.A N GLU 17.A O no hydrogen 2.961 N/A VAL 113.A N VAL 138.A O no hydrogen 2.700 N/A LEU 114.A N TYR 19.A O no hydrogen 2.740 N/A LEU 115.A N VAL 140.A O no hydrogen 2.814 N/A GLY 119.A N SER 154.A O no hydrogen 2.810 N/A TYR 121.A N LEU 152.A O no hydrogen 2.734 N/A SER 122.A N SER 154.A OG no hydrogen 2.746 N/A LEU 125.A N SER 122.A OG no hydrogen 3.315 N/A ASN 126.A N SER 122.A O no hydrogen 3.058 N/A ASN 126.A ND2 SER 157.A OG no hydrogen 2.909 N/A ALA 127.A N ARG 123.A O no hydrogen 3.042 N/A ALA 128.A N VAL 124.A O no hydrogen 2.851 N/A CYS 129.A N LEU 125.A O no hydrogen 2.963 N/A CYS 129.A SG LEU 125.A O no hydrogen 3.375 N/A GLN 130.A N ASN 126.A O no hydrogen 2.847 N/A GLN 130.A NE2 GLU 160.A OE2.B no hydrogen 2.659 N/A ARG 131.A N ALA 127.A O no hydrogen 2.976 N/A LEU 132.A N ALA 128.A O no hydrogen 3.189 N/A ALA 133.A N CYS 129.A O no hydrogen 2.907 N/A ARG 134.A N GLN 130.A O no hydrogen 3.038 N/A ALA 135.A N ARG 131.A O no hydrogen 3.213 N/A ALA 135.A N LEU 132.A O no hydrogen 3.075 N/A GLY 136.A N ALA 133.A O no hydrogen 3.021 N/A VAL 137.A N LEU 132.A O no hydrogen 3.363 N/A VAL 138.A N LEU 111.A O no hydrogen 2.888 N/A VAL 140.A N VAL 113.A O no hydrogen 2.814 N/A THR 141.A N ILE 162.A O no hydrogen 2.833 N/A THR 141.A OG1 LEU 115.A O no hydrogen 2.737 N/A ALA 143.A N VAL 164.A O no hydrogen 2.946 N/A GLY 144.A N THR 213.A OG1 no hydrogen 3.082 N/A PHE 146.A N ASN 182.A OD1 no hydrogen 3.109 N/A ARG 147.A N GLY 180.A O no hydrogen 2.885 N/A ARG 147.A NH2 TRP 256.A O no hydrogen 3.146 N/A ASP 148.A N ASN 182.A OD1 no hydrogen 2.967 N/A ASP 149.A N ASP 148.A OD1 no hydrogen 2.741 N/A ALA 150.A N PHE 183.A O no hydrogen 2.950 N/A CYS 151.A N ASP 149.A OD1 no hydrogen 3.110 N/A CYS 151.A SG ASP 149.A OD1 no hydrogen 3.495 N/A LEU 152.A N ASP 149.A O no hydrogen 3.217 N/A TYR 153.A N ALA 150.A O no hydrogen 3.231 N/A TYR 153.A OH ASP 148.A OD2 no hydrogen 2.795 N/A SER 154.A N GLY 119.A O no hydrogen 2.852 N/A SER 154.A OG SER 122.A O no hydrogen 3.529 N/A SER 154.A OG ASN 126.A OD1 no hydrogen 2.611 N/A SER 154.A OG SER 157.A OG no hydrogen 3.298 N/A SER 157.A N TYR 153.A O no hydrogen 2.852 N/A SER 157.A OG TYR 153.A O no hydrogen 2.747 N/A ALA 158.A N PRO 155.A O no hydrogen 3.090 N/A VAL 161.A N ALA 158.A O no hydrogen 3.178 N/A ILE 162.A N LEU 139.A O no hydrogen 2.783 N/A THR 163.A N ASP 188.A OD2 no hydrogen 2.654 N/A THR 163.A OG1 ALA 156.A O no hydrogen 2.676 N/A THR 163.A OG1 VAL 161.A O no hydrogen 3.551 N/A VAL 164.A N THR 141.A O no hydrogen 3.038 N/A GLY 165.A N LEU 189.A O no hydrogen 2.857 N/A ALA 166.A N THR 181.A OG1 no hydrogen 2.996 N/A THR 167.A N ALA 191.A O no hydrogen 3.004 N/A ASN 168.A N GLN 172.A O no hydrogen 2.749 N/A GLN 170.A N ASN 168.A OD1 no hydrogen 2.952 N/A ASP 171.A N ASN 168.A O no hydrogen 2.901 N/A GLN 172.A N ASN 168.A OD1 no hydrogen 3.099 N/A GLN 172.A NE2 GLN 170.A O no hydrogen 2.820 N/A GLN 172.A NE2 VAL 251.A O no hydrogen 3.326 N/A VAL 174.A N ALA 166.A O no hydrogen 2.943 N/A THR 175.A OG1 PRO 173.A O no hydrogen 3.471 N/A THR 181.A N VAL 174.A O no hydrogen 2.982 N/A THR 181.A OG1 ASN 182.A O no hydrogen 3.018 N/A ASN 182.A N GLY 144.A O no hydrogen 2.840 N/A ASN 182.A ND2 ALA 143.A O no hydrogen 2.680 N/A PHE 183.A N ASP 148.A O no hydrogen 2.944 N/A GLY 184.A N THR 265.A OG1 no hydrogen 2.978 N/A VAL 187.A N GLY 184.A O no hydrogen 3.161 N/A ASP 188.A N THR 163.A O no hydrogen 2.858 N/A LEU 189.A N THR 163.A O no hydrogen 3.380 N/A PHE 190.A N LEU 268.A O no hydrogen 2.907 N/A ALA 191.A N GLY 165.A O no hydrogen 2.978 N/A GLY 193.A N THR 167.A O no hydrogen 2.886 N/A ASP 195.A N SER 211.A OG no hydrogen 3.034 N/A ILE 196.A N GLN 210.A O no hydrogen 2.958 N/A GLY 198.A N VAL 208.A O no hydrogen 2.890 N/A SER 200.A N CYS 206.A O no hydrogen 2.788 N/A SER 201.A OG SER 49.A O no hydrogen 2.534 N/A HIS 202.A N SER 200.A OG no hydrogen 3.258 N/A CYS 206.A N CYS 203.A O no hydrogen 3.159 N/A CYS 206.A SG HIS 202.A ND1 no hydrogen 3.906 N/A VAL 208.A N GLY 198.A O no hydrogen 2.843 N/A GLN 210.A N ILE 196.A O no hydrogen 2.988 N/A GLY 212.A N GLY 193.A O no hydrogen 2.748 N/A THR 213.A N ASN 145.A OD1 no hydrogen 2.965 N/A THR 213.A OG1 ASN 145.A OD1 no hydrogen 2.710 N/A SER 214.A OG HIS 54.A NE2 no hydrogen 3.310 N/A SER 214.A OG PRO 116.A O no hydrogen 2.691 N/A GLN 215.A NE2 HIS 57.A ND1 no hydrogen 3.238 N/A ALA 216.A N GLY 212.A O no hydrogen 3.316 N/A ALA 217.A N THR 213.A O no hydrogen 2.874 N/A ALA 218.A N SER 214.A O no hydrogen 2.918 N/A HIS 219.A N GLN 215.A O no hydrogen 3.294 N/A HIS 219.A ND1 GLN 215.A O no hydrogen 2.761 N/A VAL 220.A N ALA 216.A O no hydrogen 3.351 N/A ALA 221.A N ALA 217.A O no hydrogen 2.846 N/A GLY 222.A N ALA 218.A O no hydrogen 2.902 N/A ILE 223.A N HIS 219.A O no hydrogen 2.879 N/A ALA 224.A N VAL 220.A O no hydrogen 2.848 N/A ALA 225.A N ALA 221.A O no hydrogen 3.006 N/A MET 226.A N GLY 222.A O no hydrogen 2.967 N/A MET 227.A N ILE 223.A O no hydrogen 2.874 N/A LEU 228.A N ALA 224.A O no hydrogen 2.934 N/A SER 229.A N ALA 225.A O no hydrogen 3.017 N/A ALA 230.A N MET 226.A O no hydrogen 3.468 N/A LEU 234.A N GLU 231.A O no hydrogen 3.386 N/A THR 235.A N GLU 238.A OE1 no hydrogen 3.226 N/A LEU 239.A N THR 235.A O no hydrogen 3.075 N/A ARG 240.A N LEU 236.A O no hydrogen 3.121 N/A ARG 240.A NH1 PRO 159.A O no hydrogen 3.003 N/A ARG 240.A NH2 PRO 159.A O no hydrogen 3.061 N/A ARG 240.A NH2 ASP 188.A OD1 no hydrogen 2.990 N/A ARG 240.A NH2 ASP 188.A OD2 no hydrogen 3.179 N/A GLN 241.A N ALA 237.A O no hydrogen 3.222 N/A ARG 242.A N GLU 238.A O no hydrogen 2.917 N/A LEU 243.A N LEU 239.A O no hydrogen 2.847 N/A ILE 244.A N ARG 240.A O no hydrogen 3.073 N/A HIS 245.A N GLN 241.A O no hydrogen 2.955 N/A PHE 246.A N ARG 242.A O no hydrogen 3.051 N/A SER 247.A N LEU 243.A O no hydrogen 3.167 N/A SER 247.A N ILE 244.A O no hydrogen 3.398 N/A SER 247.A OG LEU 243.A O no hydrogen 2.620 N/A ALA 248.A N VAL 269.A O no hydrogen 2.803 N/A LYS 249.A NZ ILE 244.A O no hydrogen 2.903 N/A LYS 249.A NZ HIS 245.A O no hydrogen 2.813 N/A LYS 249.A NZ SER 247.A O no hydrogen 3.031 N/A ASP 250.A N ASN 267.A O no hydrogen 3.228 N/A VAL 251.A N ASN 267.A OD1 no hydrogen 3.077 N/A ILE 252.A N ASN 267.A OD1 no hydrogen 2.962 N/A ASN 253.A N GLN 172.A OE1 no hydrogen 2.816 N/A GLU 254.A N GLU 254.A OE1 no hydrogen 2.791 N/A TRP 256.A N ASN 253.A O no hydrogen 3.280 N/A TRP 256.A NE1 THR 175.A OG1 no hydrogen 2.887 N/A PHE 257.A N GLU 254.A O no hydrogen 3.180 N/A GLN 261.A N PRO 258.A O no hydrogen 2.827 N/A ARG 262.A NE PHE 257.A O no hydrogen 2.795 N/A ARG 262.A NH2 ALA 255.A O no hydrogen 3.028 N/A ARG 262.A NH2 PHE 257.A O no hydrogen 3.064 N/A THR 265.A N GLN 261.A O no hydrogen 2.945 N/A THR 265.A OG1 GLN 261.A O no hydrogen 2.511 N/A ASN 267.A ND2 ILE 252.A O no hydrogen 2.768 N/A VAL 269.A N ALA 248.A O no hydrogen 2.974 N/A ALA 270.A N PHE 190.A O no hydrogen 2.765 N/A LEU 272.A N ILE 9.A O no hydrogen 2.729 N/A