Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3ccl_C.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ALA 3.A N VAL 16.A O no hydrogen 2.598 N/A THR 4.A OG1 GLU 135.A OE1 no hydrogen 3.233 N/A ILE 5.A N GLY 14.A O no hydrogen 3.427 N/A TYR 6.A N VAL 139.A O no hydrogen 3.227 N/A TYR 6.A OH GLU 135.A OE1 no hydrogen 3.175 N/A ASP 7.A N ASN 11.A O no hydrogen 2.981 N/A ASP 9.A N ASP 7.A OD1 no hydrogen 2.901 N/A GLY 10.A N ASP 7.A O no hydrogen 2.767 N/A ASN 11.A N ASP 7.A OD1 no hydrogen 3.429 N/A ASP 13.A N ILE 5.A O no hydrogen 2.920 N/A VAL 16.A N ALA 3.A O no hydrogen 2.868 N/A LEU 18.A N MET 1.A O no hydrogen 2.664 N/A PHE 22.A N PRO 19.A O no hydrogen 3.208 N/A GLU 23.A N ASP 20.A O no hydrogen 2.833 N/A THR 24.A N VAL 21.A O no hydrogen 2.846 N/A THR 24.A OG1 VAL 21.A O no hydrogen 2.766 N/A ARG 27.A N SER 113.A OG no hydrogen 2.636 N/A ARG 27.A NH1 ASP 29.A OD1 no hydrogen 2.620 N/A LEU 30.A N ARG 27.A O no hydrogen 2.914 N/A ILE 31.A N ARG 27.A O no hydrogen 3.072 N/A GLY 32.A N SER 28.A O no hydrogen 2.832 N/A LYS 33.A N ASP 29.A O no hydrogen 3.270 N/A LYS 33.A NZ GLU 106.A OE2 no hydrogen 3.025 N/A ALA 34.A N LEU 30.A O no hydrogen 2.991 N/A VAL 35.A N ILE 31.A O no hydrogen 3.017 N/A ARG 36.A N GLY 32.A O no hydrogen 2.956 N/A ALA 37.A N LYS 33.A O no hydrogen 3.015 N/A ALA 38.A N ALA 34.A O no hydrogen 3.166 N/A GLN 39.A N VAL 35.A O no hydrogen 3.065 N/A ALA 40.A N ARG 36.A O no hydrogen 3.085 N/A ASN 41.A N ALA 37.A O no hydrogen 3.064 N/A ASN 41.A ND2 LEU 100.A O no hydrogen 3.423 N/A ARG 42.A NH1 GLU 221.A OE2 no hydrogen 2.886 N/A ARG 42.A NH2 GLU 221.A OE1 no hydrogen 2.948 N/A ARG 42.A NH2 GLU 221.A OE2 no hydrogen 3.507 N/A LYS 43.A N ALA 40.A O no hydrogen 3.205 N/A LYS 43.A NZ GLN 39.A O no hydrogen 3.492 N/A TYR 51.A N ASP 49.A OD1 no hydrogen 3.196 N/A ALA 52.A N ASP 49.A O no hydrogen 2.998 N/A LEU 54.A N TYR 51.A O no hydrogen 2.822 N/A ARG 55.A NH2 ASP 49.A OD2 no hydrogen 2.823 N/A THR 56.A N LEU 54.A O no hydrogen 2.639 N/A ALA 58.A N THR 56.A OG1 no hydrogen 3.353 N/A GLU 59.A N LYS 72.A O no hydrogen 3.018 N/A GLY 62.A N SER 60.A OG no hydrogen 3.284 N/A SER 63.A OG HIS 69.A NE2 no hydrogen 3.211 N/A VAL 70.A N ALA 68.A O no hydrogen 2.669 N/A LYS 72.A N GLU 59.A O no hydrogen 2.880 N/A GLN 73.A N ARG 76.A O no hydrogen 2.833 N/A GLN 73.A NE2 LYS 72.A O no hydrogen 3.474 N/A ARG 76.A N GLN 73.A O no hydrogen 3.057 N/A ARG 78.A N PRO 71.A O no hydrogen 2.964 N/A ARG 78.A NH1 ALA 77.A O no hydrogen 2.734 N/A ARG 79.A NH1 ALA 58.A O no hydrogen 3.111 N/A ARG 79.A NH2 ALA 58.A O no hydrogen 3.068 N/A VAL 80.A N ARG 78.A O no hydrogen 2.717 N/A GLN 82.A N GLN 82.A OE1 no hydrogen 2.780 N/A ALA 83.A N VAL 80.A O no hydrogen 2.875 N/A GLY 86.A N ALA 83.A O no hydrogen 2.838 N/A ARG 87.A N ARG 79.A O no hydrogen 2.544 N/A GLU 95.A N GLU 95.A OE1 no hydrogen 2.771 N/A LYS 96.A N LYS 93.A O no hydrogen 3.466 N/A ARG 98.A NE ASP 45.A OD2 no hydrogen 3.277 N/A ARG 98.A NH2 LYS 93.A O no hydrogen 2.514 N/A SER 99.A N ASP 97.A OD2 no hydrogen 2.976 N/A SER 99.A OG ASP 97.A OD2 no hydrogen 2.593 N/A LEU 100.A N ASN 41.A OD1 no hydrogen 2.940 N/A ARG 107.A N ASN 103.A O no hydrogen 2.789 N/A ARG 107.A NH1 ASP 104.A OD1 no hydrogen 2.633 N/A GLN 108.A N ASP 104.A O no hydrogen 2.678 N/A LEU 109.A N LYS 105.A O no hydrogen 2.900 N/A ALA 110.A N GLU 106.A O no hydrogen 3.242 N/A VAL 111.A N ARG 107.A O no hydrogen 3.137 N/A ARG 112.A N GLN 108.A O no hydrogen 3.087 N/A ARG 112.A NE ARG 246.A OXT no hydrogen 2.793 N/A ARG 112.A NH2 ARG 246.A O no hydrogen 3.090 N/A ARG 112.A NH2 ARG 246.A OXT no hydrogen 3.470 N/A SER 113.A N LEU 109.A O no hydrogen 2.891 N/A SER 113.A OG PRO 25.A O no hydrogen 3.070 N/A ALA 114.A N ALA 110.A O no hydrogen 2.881 N/A LEU 115.A N VAL 111.A O no hydrogen 2.902 N/A ALA 116.A N ARG 112.A O no hydrogen 2.880 N/A ALA 117.A N SER 113.A O no hydrogen 2.902 N/A THR 118.A N LEU 115.A O no hydrogen 3.042 N/A THR 118.A OG1 ALA 114.A O no hydrogen 3.384 N/A THR 118.A OG1 LEU 115.A O no hydrogen 2.938 N/A ALA 119.A N ALA 116.A O no hydrogen 3.228 N/A ASP 122.A N ASP 120.A OD1 no hydrogen 2.955 N/A LEU 123.A N ASP 120.A OD1 no hydrogen 3.082 N/A VAL 124.A N ASP 120.A O no hydrogen 3.073 N/A ALA 125.A N ALA 121.A O no hydrogen 3.301 N/A ASP 126.A N ASP 122.A O no hydrogen 2.796 N/A ARG 127.A N LEU 123.A O no hydrogen 2.754 N/A ARG 127.A NE ALA 228.A O no hydrogen 2.861 N/A ARG 127.A NH2 PRO 225.A O no hydrogen 2.713 N/A GLY 128.A N ALA 125.A O no hydrogen 3.139 N/A GLU 130.A N ASP 165.A OD1 no hydrogen 3.085 N/A ASP 132.A N ASP 161.A O no hydrogen 2.939 N/A ARG 133.A NE GLU 135.A O no hydrogen 2.927 N/A ARG 133.A NH2 GLU 135.A O no hydrogen 2.868 N/A VAL 138.A N THR 233.A O no hydrogen 3.289 N/A VAL 140.A N PHE 235.A O no hydrogen 2.842 N/A SER 141.A N TYR 6.A O no hydrogen 3.166 N/A PHE 144.A N SER 141.A O no hydrogen 2.988 N/A GLU 145.A N ASP 142.A O no hydrogen 3.110 N/A ASP 146.A N ASP 143.A O no hydrogen 3.392 N/A LEU 147.A N PHE 144.A O no hydrogen 3.103 N/A THR 150.A OG1 ALA 203.A O no hydrogen 2.746 N/A GLU 152.A N LYS 149.A O no hydrogen 3.177 N/A VAL 153.A N THR 150.A O no hydrogen 2.980 N/A VAL 154.A N THR 150.A O no hydrogen 3.219 N/A VAL 154.A N GLN 151.A O no hydrogen 3.142 N/A SER 155.A N GLN 151.A O no hydrogen 3.206 N/A LEU 156.A N GLU 152.A O no hydrogen 3.289 N/A LEU 157.A N VAL 153.A O no hydrogen 2.998 N/A GLU 158.A N VAL 154.A O no hydrogen 2.855 N/A ALA 159.A N SER 155.A O no hydrogen 3.013 N/A LEU 160.A N LEU 157.A O no hydrogen 3.273 N/A ASP 161.A N GLU 158.A O no hydrogen 3.172 N/A VAL 162.A N LEU 157.A O no hydrogen 2.986 N/A ILE 166.A N HIS 163.A O no hydrogen 2.815 N/A ASP 167.A N HIS 163.A O no hydrogen 3.422 N/A ARG 168.A N ALA 164.A O no hydrogen 3.180 N/A ARG 168.A NE ASP 165.A OD1 no hydrogen 3.114 N/A ALA 169.A N ASP 165.A O no hydrogen 3.189 N/A LYS 173.A N ARG 187.A O no hydrogen 2.698 N/A LYS 175.A N LYS 185.A O no hydrogen 3.066 N/A LYS 175.A NZ ARG 184.A O no hydrogen 3.035 N/A SER 180.A N GLY 177.A O no hydrogen 3.493 N/A ARG 182.A N GLY 179.A O no hydrogen 3.018 N/A GLY 183.A N SER 180.A O no hydrogen 3.037 N/A ARG 184.A N GLY 179.A O no hydrogen 2.998 N/A ARG 187.A N LYS 173.A O no hydrogen 3.133 N/A ARG 188.A NE ALA 169.A O no hydrogen 2.850 N/A ARG 188.A NH2 ALA 169.A O no hydrogen 3.207 N/A SER 191.A N GLY 209.A O no hydrogen 3.077 N/A SER 191.A OG ALA 208.A O no hydrogen 3.008 N/A LEU 193.A N LEU 232.A O no hydrogen 3.285 N/A PHE 194.A N ASP 211.A O no hydrogen 2.810 N/A VAL 195.A N VAL 234.A O no hydrogen 3.055 N/A THR 196.A N ALA 213.A O no hydrogen 2.918 N/A THR 196.A OG1 GLU 199.A O no hydrogen 2.678 N/A THR 196.A OG1 ALA 213.A O no hydrogen 3.417 N/A SER 197.A N GLU 145.A OE2 no hydrogen 2.762 N/A SER 197.A OG GLU 242.A OE2 no hydrogen 2.775 N/A ASP 198.A N GLU 145.A OE2 no hydrogen 2.955 N/A GLU 199.A N GLU 145.A OE1 no hydrogen 3.291 N/A ALA 204.A N SER 201.A OG no hydrogen 2.962 N/A ARG 205.A N SER 201.A O no hydrogen 3.059 N/A LEU 207.A N ALA 204.A O no hydrogen 2.885 N/A ALA 210.A N LEU 207.A O no hydrogen 2.953 N/A ASP 211.A N ILE 192.A O no hydrogen 2.948 N/A ALA 213.A N PHE 194.A O no hydrogen 2.820 N/A ALA 215.A N THR 196.A O no hydrogen 2.888 N/A GLU 217.A N THR 214.A O no hydrogen 3.121 N/A ASN 219.A N ASP 222.A OD1 no hydrogen 2.651 N/A ASP 222.A N ASN 219.A OD1 no hydrogen 3.108 N/A LEU 223.A N ASN 219.A O no hydrogen 3.031 N/A ALA 224.A N THR 220.A O no hydrogen 2.787 N/A GLY 227.A N ALA 224.A O no hydrogen 2.800 N/A ALA 228.A N PRO 225.A O no hydrogen 3.379 N/A ARG 231.A NE SER 191.A O no hydrogen 2.675 N/A ARG 231.A NH1 ASP 222.A O no hydrogen 3.126 N/A ARG 231.A NH2 SER 191.A O no hydrogen 3.313 N/A ARG 231.A NH2 ASP 211.A OD2 no hydrogen 3.164 N/A THR 233.A OG1 ARG 231.A O no hydrogen 2.824 N/A VAL 234.A N LEU 193.A O no hydrogen 3.000 N/A PHE 235.A N VAL 138.A O no hydrogen 2.866 N/A GLU 237.A N VAL 140.A O no hydrogen 2.632 N/A SER 238.A N ASP 142.A OD1 no hydrogen 2.886 N/A SER 238.A OG ASP 142.A OD1 no hydrogen 3.448 N/A SER 238.A OG ASP 142.A OD2 no hydrogen 2.582 N/A LEU 240.A N THR 236.A O no hydrogen 2.725 N/A ALA 241.A N GLU 237.A O no hydrogen 3.341 N/A GLU 242.A N SER 238.A O no hydrogen 2.941 N/A VAL 243.A N ALA 239.A O no hydrogen 2.846 N/A ALA 244.A N ALA 241.A O no hydrogen 3.118 N/A ARG 246.A N VAL 243.A O no hydrogen 3.224 N/A ARG 246.A NE ALA 215.A O no hydrogen 3.453 N/A ARG 246.A NH2 VAL 218.A O no hydrogen 2.888 N/A