Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 5jle_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): CYS 4.A N VAL 97.A O no hydrogen 2.982 N/A CYS 4.A SG VAL 97.A O no hydrogen 3.566 N/A VAL 5.A N ASP 8.A OD2 no hydrogen 3.019 N/A ASP 8.A N VAL 5.A O no hydrogen 3.119 N/A PHE 9.A N MET 6.A O no hydrogen 3.338 N/A ARG 10.A N ASP 7.A O no hydrogen 3.029 N/A TRP 15.A N ASP 11.A O no hydrogen 3.078 N/A TRP 15.A NE1 PRO 25.A O no hydrogen 2.884 N/A LYS 16.A N PRO 12.A O no hydrogen 2.933 N/A GLU 17.A N GLN 13.A O no hydrogen 3.218 N/A CYS 18.A N ARG 14.A O no hydrogen 3.041 N/A CYS 18.A SG ARG 14.A O no hydrogen 3.474 N/A ALA 19.A N TRP 15.A O no hydrogen 2.713 N/A LYS 20.A N LYS 16.A O no hydrogen 2.771 N/A GLN 21.A N GLU 17.A O no hydrogen 3.277 N/A GLN 21.A N CYS 18.A O no hydrogen 3.163 N/A GLY 22.A N ALA 19.A O no hydrogen 2.857 N/A LYS 23.A N CYS 18.A O no hydrogen 2.870 N/A ASP 29.A N GLN 162.A O no hydrogen 2.892 N/A ILE 31.A N GLY 164.A O no hydrogen 3.034 N/A VAL 35.A N GLY 124.A O no hydrogen 3.159 N/A TYR 36.A OH GLU 156.A OE1 no hydrogen 2.760 N/A LEU 37.A N VAL 126.A O no hydrogen 3.198 N/A LEU 47.A N ASN 78.A OD1 no hydrogen 2.752 N/A SER 48.A N GLU 51.A OE2 no hydrogen 2.754 N/A SER 48.A OG GLU 51.A OE2 no hydrogen 3.471 N/A ARG 52.A N SER 48.A O no hydrogen 2.924 N/A ALA 53.A N LYS 49.A O no hydrogen 2.768 N/A GLN 54.A N ASP 50.A O no hydrogen 2.779 N/A GLY 55.A N ARG 52.A O no hydrogen 3.182 N/A GLU 56.A N GLU 51.A O no hydrogen 2.877 N/A CYS 63.A N GLY 60.A O no hydrogen 3.284 N/A ARG 66.A NE CYS 59.A O no hydrogen 3.162 N/A ARG 66.A NE GLY 60.A O no hydrogen 3.026 N/A ARG 66.A NH2 CYS 59.A O no hydrogen 3.147 N/A LEU 67.A N CYS 63.A O no hydrogen 2.812 N/A LEU 68.A N LEU 64.A O no hydrogen 3.297 N/A MET 69.A N ARG 66.A O no hydrogen 3.130 N/A ILE 70.A N ASN 65.A O no hydrogen 2.821 N/A GLU 71.A N THR 184.A O no hydrogen 2.883 N/A CYS 72.A N ASN 84.A O no hydrogen 3.209 N/A ARG 75.A N SER 73.A OG no hydrogen 3.156 N/A CYS 76.A N SER 73.A O no hydrogen 3.437 N/A GLY 79.A N CYS 76.A O no hydrogen 3.013 N/A TYR 81.A N ASN 78.A O no hydrogen 2.917 N/A SER 83.A N ALA 58.A O no hydrogen 3.064 N/A SER 83.A OG ALA 58.A O no hydrogen 2.608 N/A ASN 84.A ND2 ILE 70.A O no hydrogen 2.942 N/A ARG 85.A NE CYS 72.A O no hydrogen 2.997 N/A ARG 85.A NH2 GLN 88.A OE1 no hydrogen 2.682 N/A PHE 87.A N GLU 71.A OE2 no hydrogen 2.831 N/A GLN 88.A NE2 GLU 71.A OE1 no hydrogen 2.599 N/A GLN 88.A NE2 CYS 72.A O no hydrogen 3.071 N/A ARG 89.A N ARG 85.A O no hydrogen 3.021 N/A LYS 90.A N PHE 87.A O no hydrogen 3.355 N/A LYS 90.A NZ GLU 32.A O no hydrogen 2.701 N/A GLN 91.A N ARG 86.A O no hydrogen 3.104 N/A HIS 92.A N LYS 90.A O no hydrogen 2.811 N/A HIS 92.A ND1 ALA 93.A O no hydrogen 3.027 N/A ALA 93.A N VAL 119.A O no hydrogen 3.132 N/A GLU 96.A N ARG 108.A O no hydrogen 2.823 N/A VAL 97.A N CYS 4.A O no hydrogen 2.903 N/A ILE 98.A N GLY 106.A O no hydrogen 2.881 N/A LEU 99.A N PRO 2.A O no hydrogen 3.051 N/A THR 100.A N GLY 104.A O no hydrogen 2.976 N/A THR 100.A OG1 GLY 104.A O no hydrogen 2.737 N/A LYS 103.A N THR 100.A OG1 no hydrogen 2.967 N/A LYS 103.A NZ GLU 204.A OE1 no hydrogen 2.738 N/A LYS 103.A NZ GLU 204.A OE2 no hydrogen 3.309 N/A GLY 106.A N ILE 98.A O no hydrogen 2.796 N/A ARG 108.A N GLU 96.A O no hydrogen 2.926 N/A ARG 108.A NH2 GLU 96.A OE1 no hydrogen 2.674 N/A ALA 109.A N SER 203.A O no hydrogen 2.928 N/A ALA 110.A N ASP 94.A O no hydrogen 2.989 N/A LEU 113.A N VAL 199.A O no hydrogen 2.919 N/A ASN 116.A N THR 195.A O no hydrogen 2.849 N/A THR 117.A N THR 195.A OG1 no hydrogen 3.152 N/A THR 117.A OG1 PRO 114.A O no hydrogen 2.515 N/A VAL 119.A N PHE 193.A O no hydrogen 2.869 N/A TYR 122.A N VAL 191.A O no hydrogen 2.988 N/A TYR 122.A OH TYR 148.A O no hydrogen 3.088 N/A GLY 124.A N ASN 34.A OD1 no hydrogen 3.134 N/A GLU 125.A N ASP 159.A O no hydrogen 3.024 N/A VAL 126.A N VAL 35.A O no hydrogen 2.912 N/A LEU 127.A N ILE 157.A O no hydrogen 2.884 N/A ASP 128.A N GLU 131.A OE1 no hydrogen 2.967 N/A HIS 129.A N ASP 155.A OD1 no hydrogen 3.114 N/A HIS 129.A ND1 ASP 155.A OD1 no hydrogen 2.668 N/A LYS 130.A N ASP 128.A OD1 no hydrogen 2.792 N/A GLU 131.A N ASP 128.A OD1 no hydrogen 3.166 N/A PHE 132.A N ASP 128.A O no hydrogen 2.937 N/A LYS 133.A N HIS 129.A O no hydrogen 3.129 N/A ALA 134.A N LYS 130.A O no hydrogen 3.067 N/A ARG 135.A N GLU 131.A O no hydrogen 3.067 N/A ARG 135.A NH1 GLU 125.A OE1 no hydrogen 2.980 N/A ARG 135.A NH1 ASP 159.A OD2 no hydrogen 2.681 N/A ARG 135.A NH2 GLU 125.A OE2 no hydrogen 3.059 N/A VAL 136.A N PHE 132.A O no hydrogen 2.972 N/A LYS 137.A N LYS 133.A O no hydrogen 3.473 N/A GLU 138.A N ALA 134.A O no hydrogen 3.039 N/A TYR 139.A N ARG 135.A O no hydrogen 2.622 N/A TYR 139.A OH ASP 159.A OD2 no hydrogen 2.989 N/A TYR 139.A OH GLN 162.A OE1 no hydrogen 2.936 N/A ALA 140.A N VAL 136.A O no hydrogen 3.039 N/A ARG 141.A N LYS 137.A O no hydrogen 2.804 N/A ASN 142.A N GLU 138.A O no hydrogen 2.964 N/A LYS 143.A N ALA 140.A O no hydrogen 3.298 N/A ASN 144.A N TYR 139.A O no hydrogen 3.120 N/A MET 150.A N ILE 158.A O no hydrogen 2.859 N/A LEU 152.A N GLU 156.A O no hydrogen 3.018 N/A LYS 153.A N GLU 156.A O no hydrogen 3.119 N/A GLU 156.A N LYS 153.A O no hydrogen 2.706 N/A ILE 157.A N LEU 127.A O no hydrogen 2.955 N/A ILE 158.A N MET 150.A O no hydrogen 2.808 N/A ASP 159.A N GLU 125.A O no hydrogen 2.755 N/A ALA 160.A N TYR 148.A O no hydrogen 2.982 N/A THR 161.A N ASP 159.A OD1 no hydrogen 2.985 N/A THR 161.A OG1 ASP 159.A OD1 no hydrogen 2.664 N/A GLY 164.A N ASP 29.A O no hydrogen 2.906 N/A ASN 165.A ND2 GLU 121.A O no hydrogen 3.081 N/A SER 167.A N ASN 165.A OD1 no hydrogen 2.938 N/A SER 167.A OG GLU 121.A O no hydrogen 2.980 N/A SER 167.A OG ASN 165.A OD1 no hydrogen 2.466 N/A ARG 168.A N ASN 165.A O no hydrogen 3.049 N/A ARG 168.A NE ALA 160.A O no hydrogen 3.076 N/A ARG 168.A NH2 ALA 160.A O no hydrogen 3.103 N/A ARG 168.A NH2 THR 161.A O no hydrogen 2.949 N/A PHE 169.A N CYS 166.A O no hydrogen 3.070 N/A MET 170.A N SER 167.A O no hydrogen 3.183 N/A ASN 171.A ND2 TRP 105.A O no hydrogen 3.040 N/A ASN 171.A ND2 GLU 204.A OE2 no hydrogen 2.854 N/A SER 173.A N PHE 207.A O no hydrogen 2.977 N/A CYS 174.A SG HIS 172.A NE2 no hydrogen 3.384 N/A GLU 175.A N SER 173.A OG no hydrogen 2.720 N/A ASN 177.A N THR 206.A O no hydrogen 3.152 N/A ASN 177.A ND2 GLU 204.A O no hydrogen 3.030 N/A CYS 178.A SG ASN 177.A O no hydrogen 3.334 N/A CYS 178.A SG ASN 177.A OD1 no hydrogen 3.702 N/A GLU 179.A N PHE 194.A O no hydrogen 2.828 N/A GLN 181.A N GLY 192.A O no hydrogen 2.837 N/A GLN 181.A NE2 ASN 116.A OD1 no hydrogen 3.296 N/A GLN 181.A NE2 GLU 179.A OE2 no hydrogen 3.139 N/A TRP 183.A N ARG 190.A O no hydrogen 2.712 N/A TRP 183.A NE1 GLN 181.A OE1 no hydrogen 3.001 N/A THR 184.A N MET 69.A O no hydrogen 2.949 N/A VAL 185.A N GLN 188.A O no hydrogen 2.696 N/A GLN 188.A N VAL 185.A O no hydrogen 3.155 N/A ARG 190.A N TRP 183.A O no hydrogen 2.838 N/A ARG 190.A NH1 GLU 121.A OE1 no hydrogen 2.857 N/A GLY 192.A N GLN 181.A O no hydrogen 2.927 N/A PHE 193.A N LEU 120.A O no hydrogen 2.847 N/A PHE 194.A N GLU 179.A O no hydrogen 2.876 N/A THR 195.A N THR 117.A O no hydrogen 3.124 N/A THR 195.A OG1 PRO 114.A O no hydrogen 2.783 N/A THR 196.A N ASN 177.A O no hydrogen 3.003 N/A LYS 197.A NZ PRO 176.A O no hydrogen 3.283 N/A VAL 199.A N LEU 113.A O no hydrogen 2.950 N/A SER 201.A N ASP 112.A OD1 no hydrogen 3.092 N/A SER 201.A OG ALA 110.A O no hydrogen 3.361 N/A GLY 202.A N ALA 109.A O no hydrogen 2.707 N/A SER 203.A N PRO 200.A O no hydrogen 3.008 N/A LEU 205.A N LEU 107.A O no hydrogen 2.584 N/A THR 206.A N ASN 177.A OD1 no hydrogen 2.836 N/A PHE 207.A N ASN 171.A O no hydrogen 3.319 N/A TYR 209.A N HIS 172.A ND1 no hydrogen 3.166 N/A TYR 209.A OH MET 170.A O no hydrogen 2.817 N/A GLU 217.A N GLY 215.A O no hydrogen 2.357 N/A GLN 219.A NE2 ILE 145.A O no hydrogen 3.089 N/A CYS 221.A N GLY 230.A O no hydrogen 3.004 N/A SER 225.A OG GLU 175.A OE1 no hydrogen 3.484 N/A SER 225.A OG ASN 227.A OD1 no hydrogen 2.542 N/A ASN 227.A N SER 225.A OG no hydrogen 3.262 N/A CYS 228.A SG CYS 221.A O no hydrogen 3.931 N/A ARG 229.A NH1 TYR 231.A O no hydrogen 3.370 N/A ARG 229.A NH2 ASP 208.A OD1 no hydrogen 2.929 N/A LEU 232.A N GLN 219.A O no hydrogen 3.063 N/A