Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 2cle_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ARG 2.A NE PRO 92.A O no hydrogen 2.863 N/A ARG 2.A NH1 ASP 123.A OD1 no hydrogen 2.743 N/A ARG 2.A NH2 PRO 92.A O no hydrogen 3.479 N/A TYR 3.A OH SER 124.A OG no hydrogen 2.749 N/A ASN 5.A N GLU 1.A O no hydrogen 3.073 N/A LEU 6.A N ARG 2.A O no hydrogen 2.982 N/A PHE 7.A N TYR 3.A O no hydrogen 2.898 N/A ALA 8.A N GLU 4.A O no hydrogen 3.016 N/A GLN 9.A N ASN 5.A O no hydrogen 2.961 N/A LEU 10.A N LEU 6.A O no hydrogen 2.784 N/A ASN 11.A N PHE 7.A O no hydrogen 2.922 N/A ASP 12.A N ALA 8.A O no hydrogen 3.107 N/A ARG 13.A N LEU 10.A O no hydrogen 2.989 N/A ARG 13.A NH1 GLU 15.A OE2 no hydrogen 3.332 N/A ARG 14.A N ASN 11.A O no hydrogen 2.770 N/A GLU 15.A N LEU 10.A O no hydrogen 3.051 N/A GLY 16.A N SER 250.A O no hydrogen 2.811 N/A ALA 17.A N ALA 213.A O no hydrogen 2.816 N/A PHE 18.A N ASP 45.A OD2 no hydrogen 2.834 N/A VAL 19.A N ALA 215.A O no hydrogen 2.891 N/A PHE 21.A N SER 217.A O no hydrogen 2.795 N/A VAL 22.A N GLU 48.A O no hydrogen 3.227 N/A LEU 24.A N GLY 50.A O no hydrogen 2.839 N/A GLY 25.A N SER 32.A OG no hydrogen 3.037 N/A ASP 26.A N THR 23.A O no hydrogen 3.182 N/A GLN 31.A NE2 PRO 232.A O no hydrogen 3.475 N/A SER 32.A N GLY 28.A O no hydrogen 2.807 N/A LEU 33.A N ILE 29.A O no hydrogen 3.052 N/A LYS 34.A N GLU 30.A O no hydrogen 3.153 N/A ILE 35.A N GLN 31.A O no hydrogen 2.817 N/A ILE 36.A N SER 32.A O no hydrogen 2.941 N/A ASP 37.A N LEU 33.A O no hydrogen 3.093 N/A THR 38.A N LYS 34.A O no hydrogen 2.989 N/A THR 38.A OG1 LYS 34.A O no hydrogen 2.962 N/A LEU 39.A N ILE 35.A O no hydrogen 2.906 N/A ILE 40.A N ILE 36.A O no hydrogen 3.032 N/A ASP 41.A N ASP 37.A O no hydrogen 2.895 N/A ALA 42.A N THR 38.A O no hydrogen 2.833 N/A GLY 43.A N ILE 40.A O no hydrogen 3.140 N/A ALA 44.A N LEU 39.A O no hydrogen 3.051 N/A ASP 45.A N PHE 18.A O no hydrogen 2.959 N/A LEU 47.A N PRO 95.A O no hydrogen 2.966 N/A GLU 48.A N PRO 20.A O no hydrogen 3.123 N/A LEU 49.A N GLY 97.A O no hydrogen 2.726 N/A GLY 50.A N VAL 22.A O no hydrogen 2.983 N/A SER 54.A OG ASP 55.A OD2 no hydrogen 2.691 N/A GLN 64.A N GLY 60.A O no hydrogen 2.767 N/A GLN 64.A NE2 ASP 59.A O no hydrogen 3.029 N/A ASN 65.A N PRO 61.A O no hydrogen 2.804 N/A ASN 65.A ND2 GLU 226.A OE1 no hydrogen 3.514 N/A ALA 66.A N THR 62.A O no hydrogen 3.303 N/A ASN 67.A N ILE 63.A O no hydrogen 3.123 N/A LEU 68.A N GLN 64.A O no hydrogen 3.180 N/A ARG 69.A N ASN 65.A O no hydrogen 2.902 N/A ARG 69.A NE ASP 26.A OD1 no hydrogen 2.578 N/A ARG 69.A NH2 ASP 26.A OD2 no hydrogen 2.923 N/A ALA 70.A N ALA 66.A O no hydrogen 2.931 N/A PHE 71.A N ASN 67.A O no hydrogen 2.790 N/A ALA 72.A N LEU 68.A O no hydrogen 2.861 N/A ALA 73.A N ARG 69.A O no hydrogen 3.161 N/A ALA 73.A N ALA 70.A O no hydrogen 3.013 N/A GLY 74.A N PHE 71.A O no hydrogen 2.897 N/A VAL 75.A N ALA 70.A O no hydrogen 3.047 N/A GLN 79.A N THR 76.A OG1 no hydrogen 3.197 N/A CYS 80.A N THR 76.A O no hydrogen 2.958 N/A CYS 80.A SG THR 76.A O no hydrogen 3.469 N/A PHE 81.A N PRO 77.A O no hydrogen 2.989 N/A GLU 82.A N ALA 78.A O no hydrogen 3.146 N/A MET 83.A N GLN 79.A O no hydrogen 2.961 N/A LEU 84.A N CYS 80.A O no hydrogen 2.905 N/A ALA 85.A N PHE 81.A O no hydrogen 3.071 N/A LEU 86.A N GLU 82.A O no hydrogen 3.226 N/A ILE 87.A N MET 83.A O no hydrogen 2.858 N/A ARG 88.A N LEU 84.A O no hydrogen 2.970 N/A ARG 88.A NE GLY 121.A O no hydrogen 2.978 N/A ARG 88.A NH1 ILE 94.A O no hydrogen 2.935 N/A ARG 88.A NH1 GLY 121.A O no hydrogen 2.916 N/A ARG 88.A NH2 HIS 91.A O no hydrogen 2.731 N/A ARG 88.A NH2 ILE 94.A O no hydrogen 2.793 N/A GLU 89.A N ALA 85.A O no hydrogen 2.975 N/A LYS 90.A N LEU 86.A O no hydrogen 3.118 N/A LYS 90.A N ILE 87.A O no hydrogen 3.192 N/A LYS 90.A NZ ASP 37.A OD1 no hydrogen 3.304 N/A LYS 90.A NZ ASP 37.A OD2 no hydrogen 2.694 N/A HIS 91.A N ILE 87.A O no hydrogen 2.954 N/A HIS 91.A NE2 ASP 37.A OD1 no hydrogen 2.836 N/A ILE 96.A N ASP 123.A OD2 no hydrogen 2.736 N/A GLY 97.A N LEU 47.A O no hydrogen 2.797 N/A LEU 98.A N SER 124.A O no hydrogen 2.889 N/A LEU 99.A N LEU 49.A O no hydrogen 2.877 N/A MET 100.A N LEU 126.A O no hydrogen 2.792 N/A TYR 101.A OH ASP 59.A OD2 no hydrogen 2.792 N/A ALA 102.A N ASP 129.A OD1 no hydrogen 2.713 N/A LEU 104.A N TYR 101.A O no hydrogen 3.116 N/A VAL 105.A N ALA 102.A O no hydrogen 3.026 N/A PHE 106.A N ALA 102.A O no hydrogen 2.869 N/A ASN 107.A N ASN 103.A O no hydrogen 2.740 N/A GLY 109.A N PHE 106.A O no hydrogen 2.925 N/A PHE 113.A N GLY 109.A O no hydrogen 3.113 N/A TYR 114.A N ILE 110.A O no hydrogen 3.212 N/A ALA 115.A N ASP 111.A O no hydrogen 2.919 N/A ARG 116.A N ALA 112.A O no hydrogen 2.966 N/A ARG 116.A NH1 GLN 119.A OE1 no hydrogen 2.864 N/A CYS 117.A N PHE 113.A O no hydrogen 2.990 N/A CYS 117.A SG PHE 113.A O no hydrogen 3.489 N/A GLU 118.A N TYR 114.A O no hydrogen 2.960 N/A GLN 119.A N ALA 115.A O no hydrogen 3.015 N/A VAL 120.A N ARG 116.A O no hydrogen 3.150 N/A GLY 121.A N CYS 117.A O no hydrogen 3.097 N/A GLY 121.A N GLU 118.A O no hydrogen 3.307 N/A VAL 122.A N CYS 117.A O no hydrogen 2.934 N/A ASP 123.A N ILE 96.A O no hydrogen 2.755 N/A SER 124.A N ILE 96.A O no hydrogen 3.267 N/A SER 124.A OG TYR 3.A OH no hydrogen 2.749 N/A VAL 125.A N ALA 148.A O no hydrogen 2.976 N/A LEU 126.A N LEU 98.A O no hydrogen 2.889 N/A ALA 128.A N MET 100.A O no hydrogen 2.759 N/A VAL 130.A N VAL 127.A O no hydrogen 3.280 N/A GLU 133.A N GLU 133.A OE1 no hydrogen 2.705 N/A GLU 134.A N PRO 131.A O no hydrogen 2.895 N/A SER 135.A N VAL 132.A O no hydrogen 3.191 N/A SER 135.A OG VAL 132.A O no hydrogen 2.774 N/A ARG 139.A N SER 135.A O no hydrogen 2.911 N/A ARG 139.A NE SER 135.A OG no hydrogen 3.134 N/A GLN 140.A N ALA 136.A O no hydrogen 3.010 N/A ALA 141.A N PRO 137.A O no hydrogen 3.163 N/A ALA 142.A N PHE 138.A O no hydrogen 2.889 N/A LEU 143.A N ARG 139.A O no hydrogen 2.956 N/A ARG 144.A N GLN 140.A O no hydrogen 3.023 N/A ARG 144.A NE ASP 111.A OD1 no hydrogen 3.365 N/A ARG 144.A NH2 ASP 111.A OD1 no hydrogen 2.712 N/A HIS 145.A N ALA 141.A O no hydrogen 3.277 N/A HIS 145.A N ALA 142.A O no hydrogen 3.037 N/A HIS 145.A ND1 ALA 141.A O no hydrogen 2.784 N/A ASN 146.A N LEU 143.A O no hydrogen 3.173 N/A ASN 146.A ND2 GLU 118.A OE2 no hydrogen 2.854 N/A ILE 147.A N ALA 142.A O no hydrogen 2.787 N/A ALA 148.A N ASP 123.A O no hydrogen 2.894 N/A ILE 150.A N VAL 125.A O no hydrogen 2.980 N/A CYS 153.A N TYR 174.A O no hydrogen 2.753 N/A CYS 153.A SG PRO 154.A O no hydrogen 3.732 N/A ALA 157.A N PRO 154.A O no hydrogen 3.129 N/A LEU 161.A N ASP 158.A OD1 no hydrogen 2.934 N/A LEU 162.A N ASP 158.A O no hydrogen 3.071 N/A ARG 163.A N ASP 159.A O no hydrogen 3.000 N/A ARG 163.A NE ASP 159.A OD2 no hydrogen 2.682 N/A GLN 164.A N ASP 160.A O no hydrogen 2.969 N/A VAL 165.A N LEU 161.A O no hydrogen 2.824 N/A ALA 166.A N LEU 162.A O no hydrogen 2.950 N/A SER 167.A N ARG 163.A O no hydrogen 2.976 N/A TYR 168.A N GLN 164.A O no hydrogen 2.789 N/A GLY 169.A N VAL 165.A O no hydrogen 2.964 N/A ARG 170.A N PRO 149.A O no hydrogen 3.168 N/A ARG 170.A NH1 SER 167.A O no hydrogen 3.083 N/A ARG 170.A NH1 GLY 169.A O no hydrogen 3.216 N/A TYR 172.A N ARG 170.A O no hydrogen 2.810 N/A THR 173.A N PRO 191.A O no hydrogen 2.790 N/A THR 173.A OG1 ALA 190.A O no hydrogen 2.826 N/A TYR 174.A N PHE 151.A O no hydrogen 3.058 N/A LEU 175.A N LEU 193.A O no hydrogen 2.897 N/A LEU 176.A N CYS 153.A O no hydrogen 3.220 N/A SER 177.A N GLY 195.A O no hydrogen 2.948 N/A SER 177.A OG PHE 196.A O no hydrogen 2.643 N/A HIS 179.A N HIS 178.A ND1 no hydrogen 2.288 N/A LEU 180.A N HIS 178.A ND1 no hydrogen 3.296 N/A LYS 183.A N HIS 179.A O no hydrogen 2.668 N/A LEU 184.A N LEU 180.A O no hydrogen 2.662 N/A LYS 185.A N ILE 181.A O no hydrogen 3.184 N/A LYS 185.A NZ GLY 211.A O no hydrogen 3.177 N/A GLU 186.A N GLU 182.A O no hydrogen 2.967 N/A TYR 187.A N LYS 183.A O no hydrogen 3.009 N/A TYR 187.A N LEU 184.A O no hydrogen 3.194 N/A TYR 187.A OH ASP 159.A OD1 no hydrogen 2.583 N/A HIS 188.A N LYS 185.A O no hydrogen 3.055 N/A ALA 189.A N LEU 184.A O no hydrogen 2.880 N/A LEU 193.A N THR 173.A O no hydrogen 2.893 N/A GLN 194.A N GLY 214.A O no hydrogen 3.070 N/A GLY 195.A N LEU 175.A O no hydrogen 2.894 N/A SER 199.A N GLN 203.A OE1 no hydrogen 2.713 N/A SER 199.A OG GLN 203.A OE1 no hydrogen 3.538 N/A SER 200.A N GLN 203.A OE1 no hydrogen 2.998 N/A SER 200.A OG GLN 203.A OE1 no hydrogen 3.055 N/A GLN 203.A N SER 200.A O no hydrogen 3.016 N/A GLN 203.A NE2 GLY 197.A O no hydrogen 2.834 N/A VAL 204.A N PRO 201.A O no hydrogen 3.023 N/A SER 205.A N PRO 201.A O no hydrogen 3.137 N/A SER 205.A OG GLU 202.A O no hydrogen 2.861 N/A ALA 206.A N GLU 202.A O no hydrogen 2.951 N/A ALA 207.A N GLN 203.A O no hydrogen 3.034 N/A VAL 208.A N VAL 204.A O no hydrogen 3.135 N/A ARG 209.A N SER 205.A O no hydrogen 2.952 N/A ALA 210.A N ALA 206.A O no hydrogen 2.957 N/A GLY 211.A N VAL 208.A O no hydrogen 3.078 N/A ALA 212.A N ALA 207.A O no hydrogen 3.071 N/A ALA 213.A N ALA 192.A O no hydrogen 2.730 N/A ALA 215.A N ALA 17.A O no hydrogen 2.909 N/A ILE 216.A N GLN 194.A O no hydrogen 2.724 N/A SER 217.A N VAL 19.A O no hydrogen 2.992 N/A SER 217.A OG ILE 198.A O no hydrogen 2.847 N/A VAL 222.A N GLY 218.A O no hydrogen 2.875 N/A LYS 223.A N SER 219.A O no hydrogen 2.796 N/A ILE 224.A N ILE 221.A O no hydrogen 3.072 N/A ILE 225.A N ILE 221.A O no hydrogen 3.404 N/A GLU 226.A N VAL 222.A O no hydrogen 3.029 N/A LYS 227.A N LYS 223.A O no hydrogen 3.074 N/A LYS 227.A NZ GLU 238.A OE1 no hydrogen 3.107 N/A ASN 228.A N ILE 225.A O no hydrogen 3.354 N/A ASN 228.A ND2 ILE 224.A O no hydrogen 2.814 N/A ASN 228.A ND2 GLU 238.A OE2 no hydrogen 2.813 N/A SER 231.A N ASN 228.A O no hydrogen 2.921 N/A SER 231.A OG ASN 228.A O no hydrogen 3.457 N/A MET 235.A N SER 231.A O no hydrogen 2.893 N/A LEU 236.A N PRO 232.A O no hydrogen 3.169 N/A ALA 237.A N LYS 233.A O no hydrogen 3.000 N/A GLU 238.A N GLN 234.A O no hydrogen 2.873 N/A LEU 239.A N MET 235.A O no hydrogen 2.962 N/A ARG 240.A N LEU 236.A O no hydrogen 2.936 N/A ARG 240.A NH1 ASP 41.A OD2 no hydrogen 2.857 N/A ARG 240.A NH2 ASP 41.A OD2 no hydrogen 2.716 N/A SER 241.A N ALA 237.A O no hydrogen 3.184 N/A SER 241.A OG ALA 237.A O no hydrogen 3.375 N/A PHE 242.A N GLU 238.A O no hydrogen 3.018 N/A VAL 243.A N LEU 239.A O no hydrogen 2.939 N/A SER 244.A N ARG 240.A O no hydrogen 2.971 N/A SER 244.A OG ARG 240.A O no hydrogen 2.894 N/A SER 244.A OG SER 241.A O no hydrogen 2.830 N/A ALA 245.A N SER 241.A O no hydrogen 3.129 N/A MET 246.A N PHE 242.A O no hydrogen 2.964 N/A LYS 247.A N VAL 243.A O no hydrogen 2.824 N/A LYS 247.A NZ GLU 15.A OE2 no hydrogen 2.803 N/A LYS 247.A NZ GLY 16.A O no hydrogen 2.976 N/A LYS 247.A NZ ASP 45.A OD1 no hydrogen 3.335 N/A LYS 247.A NZ ASP 45.A OD2 no hydrogen 2.655 N/A LYS 247.A NZ SER 250.A OG no hydrogen 3.015 N/A ALA 248.A N SER 244.A O no hydrogen 2.933 N/A ALA 249.A N ALA 245.A O no hydrogen 3.321 N/A SER 250.A N LYS 247.A O no hydrogen 2.949 N/A SER 250.A OG GLY 16.A O no hydrogen 3.105 N/A SER 250.A OG LYS 247.A O no hydrogen 2.585 N/A ARG 251.A N ALA 248.A O no hydrogen 3.151 N/A