Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 1crm_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): GLY 2.A N ASN 7.A O no hydrogen 2.802 N/A ASP 4.A N ASN 7.A OD1 no hydrogen 3.176 N/A GLN 11.A N GLY 8.A O no hydrogen 2.935 N/A TRP 12.A N PRO 9.A O no hydrogen 3.256 N/A TRP 12.A NE1 GLY 2.A O no hydrogen 3.050 N/A LYS 14.A N GLN 11.A O no hydrogen 3.309 N/A LEU 15.A N TRP 12.A O no hydrogen 3.247 N/A TYR 16.A N TRP 12.A O no hydrogen 2.837 N/A ALA 19.A N TYR 16.A O no hydrogen 2.711 N/A ASN 20.A N PRO 17.A O no hydrogen 3.098 N/A GLY 21.A N ILE 18.A O no hydrogen 2.635 N/A ASN 23.A N GLU 201.A OE2 no hydrogen 3.207 N/A GLN 24.A NE2 LEU 199.A O no hydrogen 3.514 N/A GLN 24.A NE2 GLU 201.A OE2 no hydrogen 2.964 N/A SER 25.A N SER 193.A OG no hydrogen 3.011 N/A SER 25.A OG TYR 190.A OH no hydrogen 2.712 N/A ILE 29.A N THR 104.A O no hydrogen 2.895 N/A LYS 30.A NZ ASP 28.A OD2 no hydrogen 3.304 N/A THR 31.A N ASP 106.A OD1 no hydrogen 3.150 N/A THR 31.A OG1 ASP 106.A OD1 no hydrogen 3.395 N/A THR 31.A OG1 ASP 106.A OD2 no hydrogen 2.562 N/A GLU 33.A N LYS 30.A O no hydrogen 2.853 N/A THR 34.A OG1 THR 31.A O no hydrogen 3.355 N/A LYS 35.A N VAL 252.A O no hydrogen 2.763 N/A ASP 37.A N ALA 254.A O no hydrogen 3.076 N/A SER 39.A N ASP 37.A OD1 no hydrogen 2.651 N/A SER 39.A OG ASP 37.A OD1 no hydrogen 2.810 N/A LEU 40.A N ASP 37.A O no hydrogen 3.169 N/A LYS 41.A N GLY 78.A O no hydrogen 3.202 N/A SER 44.A N LYS 76.A O no hydrogen 2.697 N/A SER 46.A N VAL 74.A O no hydrogen 2.835 N/A TYR 47.A OH HIS 118.A NE2 no hydrogen 2.779 N/A ASN 48.A N SER 73.A OG no hydrogen 2.809 N/A ALA 50.A N ASN 48.A OD1 no hydrogen 3.030 N/A THR 51.A N ASN 48.A O no hydrogen 2.913 N/A THR 51.A OG1 ASN 48.A O no hydrogen 2.533 N/A THR 51.A OG1 SER 73.A OG no hydrogen 2.893 N/A ALA 52.A N PRO 49.A O no hydrogen 3.276 N/A LYS 53.A N ASN 65.A O no hydrogen 2.969 N/A GLU 54.A N ASN 65.A O no hydrogen 3.240 N/A ILE 55.A N ALA 170.A O no hydrogen 2.840 N/A ILE 56.A N HIS 63.A O no hydrogen 2.881 N/A ASN 57.A N LYS 168.A O no hydrogen 3.046 N/A ASN 57.A ND2 ILE 163.A O no hydrogen 3.188 N/A ASN 57.A ND2 LEU 226.A O no hydrogen 3.060 N/A VAL 58.A N SER 61.A O no hydrogen 2.821 N/A GLY 59.A N ASN 57.A OD1 no hydrogen 2.749 N/A SER 61.A OG PHE 62.A O no hydrogen 3.479 N/A HIS 63.A N ILE 56.A O no hydrogen 2.926 N/A VAL 64.A N PHE 89.A O no hydrogen 3.135 N/A ASN 65.A N GLU 54.A O no hydrogen 2.858 N/A ASN 65.A ND2 GLU 54.A OE2 no hydrogen 3.181 N/A PHE 66.A N PHE 87.A O no hydrogen 3.222 N/A GLU 67.A N THR 51.A O no hydrogen 3.030 N/A SER 73.A OG ASN 48.A O no hydrogen 3.457 N/A SER 73.A OG THR 51.A OG1 no hydrogen 2.893 N/A VAL 74.A N SER 46.A O no hydrogen 2.970 N/A LEU 75.A N TYR 84.A O no hydrogen 2.927 N/A LYS 76.A N SER 44.A O no hydrogen 2.693 N/A GLY 78.A N PRO 42.A O no hydrogen 3.372 N/A PHE 80.A N GLY 77.A O no hydrogen 3.012 N/A SER 83.A OG ASP 71.A OD2 no hydrogen 3.514 N/A TYR 84.A N LEU 75.A O no hydrogen 3.158 N/A TYR 84.A OH ASP 135.A O no hydrogen 3.077 N/A ARG 85.A N TRP 119.A O no hydrogen 2.725 N/A ARG 85.A NE ASP 71.A OD1 no hydrogen 2.486 N/A ARG 85.A NH1 ASP 68.A O no hydrogen 2.829 N/A ARG 85.A NH2 ASP 71.A OD1 no hydrogen 2.892 N/A LEU 86.A N SER 73.A O no hydrogen 3.042 N/A PHE 87.A N ALA 117.A O no hydrogen 3.179 N/A GLN 88.A N ALA 117.A O no hydrogen 3.451 N/A GLN 88.A NE2 ASN 65.A OD1 no hydrogen 3.222 N/A PHE 89.A N VAL 64.A O no hydrogen 3.098 N/A HIS 90.A N HIS 115.A O no hydrogen 3.015 N/A HIS 90.A ND1 GLN 88.A OE1 no hydrogen 2.697 N/A HIS 92.A N GLU 113.A O no hydrogen 3.107 N/A HIS 92.A ND1 ASN 240.A O no hydrogen 2.684 N/A TRP 93.A N ASN 240.A OD1 no hydrogen 2.922 N/A TRP 93.A NE1 MET 237.A O no hydrogen 2.901 N/A HIS 99.A N THR 96.A OG1 no hydrogen 3.354 N/A GLY 100.A N TYR 110.A O no hydrogen 2.868 N/A SER 101.A N TYR 110.A O no hydrogen 3.147 N/A SER 101.A OG HIS 103.A O no hydrogen 2.841 N/A SER 101.A OG TYR 110.A O no hydrogen 3.549 N/A GLU 102.A N GLU 113.A OE1 no hydrogen 3.006 N/A HIS 103.A N GLU 113.A OE1 no hydrogen 2.968 N/A HIS 103.A ND1 GLU 113.A OE2 no hydrogen 2.784 N/A HIS 103.A NE2 TYR 190.A OH no hydrogen 2.655 N/A THR 104.A OG1 ASP 28.A OD1 no hydrogen 2.510 N/A VAL 105.A N VAL 108.A O no hydrogen 3.053 N/A ASP 106.A N ILE 29.A O no hydrogen 2.850 N/A GLY 107.A N ASP 28.A OD1 no hydrogen 2.850 N/A VAL 108.A N VAL 105.A O no hydrogen 3.025 N/A LYS 109.A NZ SER 101.A O no hydrogen 3.348 N/A LYS 109.A NZ ASN 241.A OD1 no hydrogen 2.816 N/A TYR 110.A N SER 101.A OG no hydrogen 2.971 N/A SER 111.A N MET 144.A O no hydrogen 2.846 N/A SER 111.A OG ASN 97.A O no hydrogen 2.792 N/A ALA 112.A N MET 144.A O no hydrogen 3.186 N/A GLU 113.A N HIS 92.A O no hydrogen 2.978 N/A LEU 114.A N VAL 142.A O no hydrogen 2.901 N/A HIS 115.A N HIS 90.A O no hydrogen 2.882 N/A HIS 115.A NE2 GLU 113.A OE2 no hydrogen 2.694 N/A VAL 116.A N ILE 140.A O no hydrogen 2.997 N/A ALA 117.A N GLN 88.A O no hydrogen 3.020 N/A HIS 118.A N ALA 138.A O no hydrogen 2.879 N/A HIS 118.A ND1 ALA 138.A O no hydrogen 3.053 N/A HIS 118.A NE2 TYR 47.A OH no hydrogen 2.779 N/A TRP 119.A N ARG 85.A O no hydrogen 2.925 N/A TRP 119.A NE1 ASP 68.A OD2 no hydrogen 2.893 N/A ASN 120.A N GLY 136.A O no hydrogen 2.861 N/A ASN 120.A ND2 ASP 135.A O no hydrogen 3.425 N/A SER 121.A OG ASP 71.A OD1 no hydrogen 3.075 N/A SER 121.A OG ASP 71.A OD2 no hydrogen 3.532 N/A ALA 122.A N ASN 120.A OD1 no hydrogen 3.166 N/A LYS 123.A NZ ASP 82.A OD1 no hydrogen 3.269 N/A TYR 124.A N ASN 120.A O no hydrogen 3.184 N/A TYR 124.A OH ASP 135.A OD1 no hydrogen 2.379 N/A SER 125.A N GLU 129.A OE1 no hydrogen 3.372 N/A SER 125.A OG GLU 129.A OE1 no hydrogen 2.900 N/A ALA 130.A N SER 126.A O no hydrogen 3.358 N/A ALA 131.A N LEU 127.A O no hydrogen 2.983 N/A SER 132.A OG GLU 129.A O no hydrogen 3.402 N/A LYS 133.A N ALA 130.A O no hydrogen 3.166 N/A GLY 136.A N LYS 133.A O no hydrogen 2.681 N/A LEU 137.A N SER 202.A O no hydrogen 2.871 N/A ALA 138.A N HIS 118.A O no hydrogen 2.991 N/A VAL 139.A N THR 204.A O no hydrogen 3.374 N/A ILE 140.A N VAL 116.A O no hydrogen 2.727 N/A GLY 141.A N ILE 206.A O no hydrogen 2.756 N/A VAL 142.A N LEU 114.A O no hydrogen 2.936 N/A MET 144.A N ALA 112.A O no hydrogen 2.940 N/A LYS 145.A N ILE 212.A O no hydrogen 3.104 N/A VAL 146.A N SER 111.A OG no hydrogen 3.017 N/A GLY 147.A N VAL 214.A O no hydrogen 2.921 N/A ASN 150.A N GLN 218.A OE1 no hydrogen 2.832 N/A ASN 150.A ND2 SER 213.A O no hydrogen 3.007 N/A LYS 152.A N ASN 150.A OD1 no hydrogen 3.132 N/A LEU 153.A N ASN 150.A O no hydrogen 3.199 N/A GLN 154.A N PRO 151.A O no hydrogen 3.309 N/A VAL 156.A N LEU 153.A O no hydrogen 2.886 N/A LEU 157.A N LEU 153.A O no hydrogen 3.040 N/A ASP 158.A N GLN 154.A O no hydrogen 2.767 N/A ALA 159.A N LYS 155.A O no hydrogen 3.248 N/A LEU 160.A N LEU 157.A O no hydrogen 3.329 N/A ALA 162.A N ALA 159.A O no hydrogen 3.129 N/A ILE 163.A N LEU 160.A O no hydrogen 3.063 N/A LYS 164.A NZ SER 224.A O no hydrogen 3.045 N/A LYS 166.A N ASN 228.A O no hydrogen 3.090 N/A GLY 167.A N ASN 57.A O no hydrogen 3.059 N/A LYS 168.A N THR 165.A O no hydrogen 3.293 N/A LYS 168.A NZ GLU 230.A OE1 no hydrogen 3.209 N/A LYS 168.A NZ GLU 230.A OE2 no hydrogen 3.561 N/A ALA 170.A N ILE 55.A O no hydrogen 2.954 N/A PHE 172.A N LYS 53.A O no hydrogen 3.271 N/A PHE 175.A N PRO 49.A O no hydrogen 3.165 N/A SER 178.A N ASP 176.A OD1 no hydrogen 2.898 N/A SER 178.A OG ASP 176.A OD1 no hydrogen 2.966 N/A SER 178.A OG ASP 176.A OD2 no hydrogen 2.902 N/A THR 179.A N ASP 176.A O no hydrogen 2.991 N/A THR 179.A OG1 ASP 176.A O no hydrogen 2.568 N/A LEU 180.A N PRO 177.A O no hydrogen 3.018 N/A LEU 181.A N SER 178.A O no hydrogen 3.143 N/A SER 183.A OG GLU 210.A OE1 no hydrogen 3.194 N/A SER 184.A N GLU 210.A OE1 no hydrogen 3.107 N/A ASP 186.A N SER 184.A OG no hydrogen 3.285 N/A PHE 187.A N SER 255.A OG no hydrogen 3.154 N/A TRP 188.A N ILE 207.A O no hydrogen 2.909 N/A THR 189.A N ARG 253.A O no hydrogen 2.908 N/A THR 189.A OG1 TRP 205.A O no hydrogen 2.734 N/A TYR 190.A N TRP 205.A O no hydrogen 3.368 N/A TYR 190.A OH SER 25.A OG no hydrogen 2.712 N/A TYR 190.A OH HIS 103.A NE2 no hydrogen 2.655 N/A GLY 192.A N VAL 203.A O no hydrogen 2.704 N/A SER 193.A N SER 25.A OG no hydrogen 3.118 N/A SER 193.A OG LEU 194.A O no hydrogen 2.649 N/A LEU 194.A N TYR 200.A O no hydrogen 3.074 N/A THR 195.A OG1 GLU 102.A OE1 no hydrogen 2.508 N/A THR 195.A OG1 GLU 102.A OE2 no hydrogen 3.402 N/A HIS 196.A ND1 PRO 197.A O no hydrogen 2.906 N/A LEU 199.A N HIS 196.A O no hydrogen 2.846 N/A SER 202.A OG ALA 131.A O no hydrogen 2.608 N/A VAL 203.A N GLY 192.A O no hydrogen 3.166 N/A THR 204.A N LEU 137.A O no hydrogen 3.019 N/A TRP 205.A N TYR 190.A O no hydrogen 2.952 N/A TRP 205.A NE1 SER 193.A O no hydrogen 3.126 N/A ILE 206.A N VAL 139.A O no hydrogen 3.063 N/A ILE 207.A N TRP 188.A O no hydrogen 2.831 N/A CYS 208.A N GLY 141.A O no hydrogen 3.006 N/A CYS 208.A SG GLY 141.A O no hydrogen 3.790 N/A LYS 209.A N ASP 186.A O no hydrogen 3.036 N/A ILE 212.A N LEU 143.A O no hydrogen 2.880 N/A SER 213.A OG GLU 148.A O no hydrogen 3.307 N/A SER 215.A N GLN 218.A OE1 no hydrogen 3.100 N/A GLN 218.A N SER 215.A O no hydrogen 3.177 N/A GLN 218.A NE2 ASN 150.A O no hydrogen 2.729 N/A LEU 219.A N SER 215.A O no hydrogen 3.318 N/A ALA 220.A N SER 216.A O no hydrogen 3.024 N/A GLN 221.A N GLN 218.A O no hydrogen 3.248 N/A ARG 223.A N LEU 219.A O no hydrogen 3.164 N/A ARG 223.A NE GLY 94.A O no hydrogen 2.853 N/A ARG 223.A NH1 ASN 97.A OD1 no hydrogen 2.911 N/A ARG 223.A NH2 GLY 94.A O no hydrogen 3.360 N/A ARG 223.A NH2 ASN 97.A OD1 no hydrogen 2.635 N/A SER 224.A N GLN 221.A O no hydrogen 3.164 N/A SER 224.A OG ALA 220.A O no hydrogen 2.759 N/A LEU 225.A N PHE 222.A O no hydrogen 3.200 N/A LEU 226.A N LYS 164.A O no hydrogen 2.929 N/A SER 227.A N VAL 235.A O no hydrogen 2.844 N/A SER 227.A OG GLY 59.A O no hydrogen 2.924 N/A SER 227.A OG VAL 235.A O no hydrogen 3.568 N/A ASN 228.A ND2 VAL 229.A O no hydrogen 3.126 N/A ASP 232.A N VAL 229.A O no hydrogen 3.243 N/A VAL 235.A N ASN 228.A OD1 no hydrogen 2.976 N/A MET 237.A N LEU 225.A O no hydrogen 3.159 N/A ASN 240.A N TRP 93.A O no hydrogen 3.058 N/A ASN 240.A ND2 HIS 60.A O no hydrogen 2.973 N/A ASN 241.A ND2 TRP 93.A O no hydrogen 3.201 N/A ARG 242.A N GLU 102.A OE2 no hydrogen 2.848 N/A ARG 242.A NH1 GLN 24.A OE1 no hydrogen 3.052 N/A ARG 242.A NH1 SER 25.A O no hydrogen 2.776 N/A ARG 242.A NH2 GLN 24.A OE1 no hydrogen 3.195 N/A GLN 245.A N PRO 26.A O no hydrogen 2.890 N/A GLN 245.A NE2 PRO 243.A O no hydrogen 2.995 N/A ARG 250.A N LEU 247.A O no hydrogen 3.141 N/A ARG 250.A NE LEU 247.A O no hydrogen 2.727 N/A ARG 250.A NH1 GLN 24.A O no hydrogen 3.285 N/A ARG 250.A NH1 PRO 191.A O no hydrogen 2.995 N/A ARG 250.A NH2 GLN 24.A O no hydrogen 2.920 N/A ARG 250.A NH2 PRO 246.A O no hydrogen 2.769 N/A ARG 253.A N THR 189.A O no hydrogen 3.054 N/A ARG 253.A NH1 ASP 37.A OD2 no hydrogen 2.886 N/A ALA 254.A N LYS 35.A O no hydrogen 2.763 N/A SER 255.A N PHE 187.A O no hydrogen 3.146 N/A SER 255.A OG ASP 186.A OD1 no hydrogen 3.353 N/A SER 255.A OG PHE 187.A O no hydrogen 3.535 N/A