Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3mel_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ARG 2.A N ASP 23.A OD2 no hydrogen 3.194 N/A ARG 2.A NH1 THR 21.A O no hydrogen 3.528 N/A VAL 3.A N GLU 94.A O no hydrogen 3.268 N/A LEU 4.A N TYR 24.A O no hydrogen 3.073 N/A LEU 5.A N THR 95.A O no hydrogen 2.782 N/A VAL 6.A N VAL 26.A O no hydrogen 2.774 N/A ALA 7.A N ILE 97.A O no hydrogen 2.945 N/A GLY 9.A N GLY 98.A O no hydrogen 2.752 N/A ASN 10.A ND2 SER 12.A OG no hydrogen 3.130 N/A SER 12.A N ASN 10.A OD1 no hydrogen 2.823 N/A SER 12.A OG ASN 10.A OD1 no hydrogen 3.096 N/A ASP 13.A N ASN 10.A O no hydrogen 3.076 N/A TRP 14.A N PRO 11.A O no hydrogen 2.964 N/A THR 21.A N GLU 18.A O no hydrogen 3.253 N/A THR 21.A OG1 GLU 18.A O no hydrogen 2.806 N/A TYR 22.A N PRO 19.A O no hydrogen 2.852 N/A ASP 23.A N ARG 2.A O no hydrogen 2.975 N/A VAL 26.A N LEU 4.A O no hydrogen 2.829 N/A GLY 27.A N LEU 44.A O no hydrogen 2.745 N/A ILE 28.A N VAL 6.A O no hydrogen 2.833 N/A ASP 29.A N VAL 46.A O no hydrogen 2.682 N/A ARG 30.A NH1 GLU 56.A OE1 no hydrogen 2.914 N/A ARG 30.A NH2 GLU 56.A OE2 no hydrogen 3.142 N/A GLY 31.A N ILE 28.A O no hydrogen 2.747 N/A CYS 32.A N ASP 29.A O no hydrogen 2.988 N/A LEU 33.A N ARG 30.A O no hydrogen 3.196 N/A HIS 34.A N ARG 30.A O no hydrogen 3.388 N/A LEU 35.A N GLY 31.A O no hydrogen 3.116 N/A LEU 36.A N CYS 32.A O no hydrogen 3.456 N/A GLU 37.A N LEU 33.A O no hydrogen 2.827 N/A ALA 38.A N LEU 35.A O no hydrogen 3.162 N/A ASP 39.A N LEU 36.A O no hydrogen 3.008 N/A LEU 40.A N LEU 35.A O no hydrogen 2.972 N/A GLN 43.A N PHE 25.A O no hydrogen 2.936 N/A LEU 44.A N PHE 25.A O no hydrogen 3.239 N/A ALA 45.A N THR 66.A O no hydrogen 2.824 N/A VAL 46.A N GLY 27.A O no hydrogen 2.987 N/A GLY 47.A N ILE 68.A O no hydrogen 3.267 N/A PHE 49.A N ASP 29.A OD1 no hydrogen 2.887 N/A ASP 50.A N ASP 48.A OD1 no hydrogen 3.221 N/A LEU 52.A N PHE 49.A O no hydrogen 3.047 N/A SER 53.A N GLU 56.A OE1 no hydrogen 3.090 N/A GLU 56.A N SER 53.A OG no hydrogen 2.969 N/A TYR 57.A N SER 53.A O no hydrogen 2.986 N/A PHE 59.A N GLU 55.A O no hydrogen 3.294 N/A VAL 60.A N GLU 56.A O no hydrogen 3.021 N/A GLN 61.A N HIS 58.A O no hydrogen 3.138 N/A GLU 62.A N HIS 58.A O no hydrogen 3.153 N/A THR 63.A N PHE 59.A O no hydrogen 3.308 N/A THR 63.A OG1 PHE 59.A O no hydrogen 3.011 N/A THR 64.A N VAL 60.A O no hydrogen 3.252 N/A THR 64.A OG1 THR 66.A O no hydrogen 2.770 N/A THR 66.A N GLN 43.A O no hydrogen 3.057 N/A THR 66.A N THR 64.A OG1 no hydrogen 3.249 N/A ILE 68.A N ALA 45.A O no hydrogen 2.700 N/A GLN 69.A NE2 TYR 57.A OH no hydrogen 2.608 N/A ALA 70.A N GLY 47.A O no hydrogen 2.742 N/A LYS 74.A NZ ASP 48.A OD2 no hydrogen 3.071 N/A LYS 74.A NZ ASP 76.A O no hydrogen 3.319 N/A LYS 74.A NZ ASP 78.A OD1 no hydrogen 3.316 N/A THR 77.A N GLN 80.A OE1 no hydrogen 2.880 N/A THR 77.A OG1 GLN 80.A OE1 no hydrogen 3.180 N/A GLN 80.A N THR 77.A OG1 no hydrogen 3.068 N/A GLN 80.A NE2 GLU 116.A OE1 no hydrogen 3.435 N/A GLN 80.A NE2 GLU 116.A OE2 no hydrogen 2.653 N/A LEU 81.A N THR 77.A O no hydrogen 3.015 N/A ALA 82.A N ASP 78.A O no hydrogen 2.907 N/A LEU 83.A N THR 79.A O no hydrogen 3.081 N/A GLN 84.A N GLN 80.A O no hydrogen 3.244 N/A GLU 85.A N LEU 81.A O no hydrogen 2.995 N/A ALA 86.A N ALA 82.A O no hydrogen 2.976 N/A LEU 87.A N LEU 83.A O no hydrogen 2.899 N/A GLN 88.A N GLN 84.A O no hydrogen 2.852 N/A ARG 89.A N GLU 85.A O no hydrogen 3.228 N/A ARG 89.A N ALA 86.A O no hydrogen 3.133 N/A ARG 89.A NH1 GLU 85.A O no hydrogen 2.913 N/A ARG 89.A NH1 GLU 85.A OE1 no hydrogen 3.227 N/A PHE 90.A N ALA 86.A O no hydrogen 2.892 N/A ALA 93.A N PHE 90.A O no hydrogen 3.009 N/A GLU 94.A N SER 1.A O no hydrogen 3.064 N/A ILE 96.A N ARG 127.A O no hydrogen 2.695 N/A ILE 97.A N LEU 5.A O no hydrogen 2.955 N/A ARG 103.A NH1 ASP 105.A OD2 no hydrogen 2.775 N/A HIS 106.A N ASP 105.A OD1 no hydrogen 2.937 N/A LEU 107.A N ARG 103.A O no hydrogen 2.813 N/A LEU 108.A N ILE 104.A O no hydrogen 2.916 N/A ALA 109.A N ASP 105.A O no hydrogen 2.776 N/A ASN 110.A N HIS 106.A O no hydrogen 2.943 N/A LEU 111.A N LEU 107.A O no hydrogen 2.890 N/A TRP 112.A N LEU 108.A O no hydrogen 3.231 N/A LEU 113.A N ASN 110.A O no hydrogen 2.961 N/A PHE 115.A N TRP 112.A O no hydrogen 3.016 N/A GLU 116.A N LEU 113.A O no hydrogen 2.867 N/A ARG 118.A NH1 ASP 76.A OD2 no hydrogen 3.085 N/A PHE 119.A N GLU 116.A O no hydrogen 2.699 N/A GLN 120.A N GLU 116.A O no hydrogen 2.824 N/A VAL 122.A N PHE 119.A O no hydrogen 2.864 N/A LEU 123.A N GLN 120.A O no hydrogen 3.133 N/A ARG 124.A NE TYR 137.A O no hydrogen 2.735 N/A ARG 124.A NH1 TYR 137.A O no hydrogen 3.488 N/A GLN 125.A N VAL 122.A O no hydrogen 2.924 N/A GLN 125.A NE2 PRO 91.A O no hydrogen 3.493 N/A ILE 126.A N LEU 123.A O no hydrogen 3.309 N/A ARG 127.A NH1 ARG 124.A O no hydrogen 2.445 N/A LEU 128.A N ILE 135.A O no hydrogen 3.353 N/A CYS 129.A N ILE 96.A O no hydrogen 3.025 N/A ASP 130.A N ASN 133.A O no hydrogen 2.634 N/A ARG 131.A N ASP 13.A O no hydrogen 2.562 N/A ARG 131.A NH1 TRP 14.A O no hydrogen 3.361 N/A GLN 132.A NE2 LYS 209.A O no hydrogen 2.860 N/A ASN 133.A N ASP 130.A O no hydrogen 3.354 N/A SER 134.A N GLN 207.A O no hydrogen 2.893 N/A SER 134.A OG GLU 148.A OE1 no hydrogen 3.427 N/A SER 134.A OG GLU 148.A OE2 no hydrogen 2.837 N/A ILE 135.A N LEU 128.A O no hydrogen 2.891 N/A GLN 136.A N VAL 205.A O no hydrogen 2.893 N/A TYR 137.A OH LEU 111.A O no hydrogen 3.153 N/A TYR 138.A N ILE 203.A O no hydrogen 2.874 N/A TYR 138.A OH GLN 136.A OE1 no hydrogen 3.373 N/A TYR 143.A N PHE 197.A O no hydrogen 2.914 N/A TYR 143.A OH ALA 139.A O no hydrogen 2.870 N/A VAL 145.A N ALA 195.A O no hydrogen 2.792 N/A LYS 147.A N GLU 193.A O no hydrogen 2.706 N/A LYS 147.A NZ LYS 151.A O no hydrogen 2.496 N/A LYS 151.A N GLU 148.A O no hydrogen 3.051 N/A LYS 151.A NZ GLU 148.A OE1 no hydrogen 3.339 N/A LYS 151.A NZ ASP 150.A OD1 no hydrogen 2.748 N/A LYS 151.A NZ ASP 150.A OD2 no hydrogen 3.269 N/A GLU 152.A N SER 208.A O no hydrogen 2.970 N/A TYR 153.A N SER 208.A O no hydrogen 2.948 N/A TYR 153.A OH ASP 210.A OD2 no hydrogen 3.374 N/A LEU 154.A N ASN 188.A O no hydrogen 2.656 N/A TYR 156.A N TYR 185.A O no hydrogen 2.834 N/A CYS 157.A N ALA 204.A O no hydrogen 3.197 N/A CYS 157.A SG SER 184.A OG no hydrogen 3.369 N/A CYS 158.A N THR 183.A O no hydrogen 2.867 N/A THR 160.A OG1 PRO 161.A O no hydrogen 3.126 N/A VAL 162.A N VAL 179.A O no hydrogen 2.845 N/A GLU 163.A N ALA 201.A O no hydrogen 3.191 N/A ASN 164.A N ASP 178.A OD1 no hydrogen 3.043 N/A ASN 164.A ND2 ASP 200.A OD2 no hydrogen 3.282 N/A LEU 165.A N GLN 177.A O no hydrogen 2.706 N/A THR 166.A N SER 198.A O no hydrogen 2.952 N/A LEU 167.A N LEU 174.A O no hydrogen 3.080 N/A ARG 168.A N ALA 196.A O no hydrogen 2.813 N/A ARG 168.A NH1 LEU 167.A O no hydrogen 3.354 N/A ARG 169.A NH1 GLU 192.A OE1 no hydrogen 2.752 N/A SER 170.A OG ARG 168.A O no hydrogen 2.984 N/A LYS 171.A N GLU 189.A O no hydrogen 2.847 N/A LYS 171.A NZ GLU 189.A OE1 no hydrogen 3.562 N/A ASN 176.A N THR 166.A OG1 no hydrogen 3.143 N/A ASN 176.A ND2 THR 175.A OG1 no hydrogen 3.149 N/A GLN 177.A N LEU 165.A O no hydrogen 3.154 N/A GLN 177.A NE2 ASP 178.A O no hydrogen 2.899 N/A VAL 179.A N VAL 162.A O no hydrogen 2.855 N/A THR 183.A N CYS 158.A O no hydrogen 3.303 N/A THR 183.A OG1 TYR 181.A O no hydrogen 2.850 N/A TYR 185.A N TYR 156.A O no hydrogen 2.893 N/A ASN 188.A ND2 TYR 172.A O no hydrogen 3.105 N/A GLU 189.A N ASN 188.A OD1 no hydrogen 2.650 N/A ALA 195.A N VAL 145.A O no hydrogen 3.063 N/A ALA 196.A N ARG 168.A O no hydrogen 3.255 N/A PHE 197.A N TYR 143.A O no hydrogen 3.196 N/A SER 198.A N THR 166.A O no hydrogen 2.790 N/A PHE 199.A N GLY 141.A O no hydrogen 3.109 N/A ASP 200.A N GLU 163.A O no hydrogen 3.051 N/A ALA 204.A N CYS 157.A O no hydrogen 2.822 N/A VAL 205.A N GLN 136.A O no hydrogen 2.794 N/A ILE 206.A N ALA 155.A O no hydrogen 2.989 N/A GLN 207.A N SER 134.A O no hydrogen 2.958 N/A SER 208.A N TYR 153.A O no hydrogen 3.281 N/A LYS 209.A N GLN 132.A O no hydrogen 3.189 N/A LYS 209.A NZ ASP 150.A OD2 no hydrogen 2.508 N/A ASP 210.A N GLU 152.A OE2 no hydrogen 2.982 N/A