A0A087YP16_POEFO Loading...

Anoctamin

AlphaFold DB , UniProt , Accession A0A087YP16, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 771 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M29.3Very low43.8Very low235 Ų235104.8 Ų104.8100%1.15855%0.548SS*.  0121.50-70.6-175.7175.500107.4G3M1-G3 PolarHBondContact O-N 3.06Å
2P28.2Very low44.4Very low133 Ų133103.2 Ų103.286%0.86454%0.539SS*.PPolyproline II helixtrans-67.6122.6167.22.214000106.7H4P2-H4 PolarHBondContact O-N 2.71Å
3G33Very low45.2Very low66 Ų6695.5 Ų95.568%0.6850%0.499SS*.PPolyproline II helixtrans-55.4134.8-179.800000110.5M1 R5M1-G3 PolarHBondContact O-N 3.06Å; G3-R5 PolarHBondContact O-N 3.22Å
4H41.7Very low46.2Very low148 Ų14892.5 Ų92.569%0.68548%0.481SS*.PPolyproline II helixtrans-49.4116.4167.3-86.5-44.9000107.9P2 R6P2-H4 PolarHBondContact O-N 2.71Å; H4-R6 PolarHBondContact O-N 3.35Å
5R39Very low46.5Very low244 Ų24496.3 Ų96.392%0.92150%0.501SS*.  trans-65.9104.5174-153.7178.1-164.81794.1105.9G3G3-R5 PolarHBondContact O-N 3.22Å
6R53Low46.5Very low74 Ų7495.8 Ų95.828%0.27950%0.497SS..  trans-57.5145.7-177.2-76.9-178.2171.2-171.5-6.2109.6H4 E11 E14 E21 G23H4-R6 PolarHBondContact O-N 3.35Å; R6-E11 HydrophobicContact CB-CG 4.14Å; R6-E14 IonicContact CZ-OE1 2.92Å; R6-E14 VanDerWaalsContact NH1-CD 3.35Å; R6-E14 IonicContact NH1-OE1 2.73Å; R6-E14 PolarHBondContact NH1-OE1 2.95Å; R6-E14 IonicContact NH1-OE2 2.72Å; R6-E14 PolarHBondContact NH1-OE2 3.23Å; R6-E21 PolarHBondContact NH1-O 3.49Å; R6-E21 PolarHBondContact NH2-O 3.26Å; R6-G23 VanDerWaalsContact NH2-CA 3.33Å
7Q50.8Low46.8Very low15 Ų1591.8 Ų91.87%0.0749%0.485CS..  trans-66.7138.8-176.8-163.9178.6-2.100109.8S9 I10 E11 S288Q7-S9 VanDerWaalsContact CG-OG 3.27Å; Q7-S9 WeakPolarHBondContact CG-OG 3.34Å; Q7-S9 PolarHBondContact NE2-OG 2.94Å; Q7-S9 PolarHBondContact O-N 3.3Å; Q7-S9 PolarHBondContact OE1-OG 3.1Å; Q7-I10 HydrophobicContact CB-CB 4.41Å; Q7-I10 HydrophobicContact CB-CD1 3.97Å; Q7-I10 HydrophobicContact CB-CG1 4.09Å; Q7-I10 WeakPolarHBondContact O-CA 3.11Å; Q7-I10 WeakPolarHBondContact O-CB 3.36Å; Q7-I10 PolarHBondContact O-N 3.21Å; Q7-E11 PolarHBondContact O-N 3.39Å; Q7-S288 VanDerWaalsContact OE1-CB 3.24Å; Q7-S288 PolarHBondContact OE1-OG 3.35Å
8P50.3Low47.4Very low97 Ų9788.1 Ų88.163%0.6347%0.466SS*.Hα-helixtrans-57.2-26.8177.9-25.632.8000113.6L12P8-L12 WeakPolarHBondContact O-CB 3.46Å; P8-L12 PolarHBondContact O-N 3.17Å
9S45.4Very low48Very low32 Ų3283.7 Ų83.722%0.22444%0.444CS..Hα-helixtrans-72-33.7173.753.60000112.9Q7 L13Q7-S9 VanDerWaalsContact CG-OG 3.27Å; Q7-S9 WeakPolarHBondContact CG-OG 3.34Å; Q7-S9 PolarHBondContact NE2-OG 2.94Å; Q7-S9 PolarHBondContact O-N 3.3Å; Q7-S9 PolarHBondContact OE1-OG 3.1Å; S9-L13 WeakPolarHBondContact O-CB 3.42Å; S9-L13 WeakPolarHBondContact O-CG 3.23Å; S9-L13 PolarHBondContact O-N 3.46Å
10I55.2Low48.7Very low11 Ų1185.1 Ų85.16%0.05645%0.445CS..Hα-helixtrans-72.9-44.2173.9-63.4171.1000108.7Q7 L12 L13 E14 F289Q7-I10 HydrophobicContact CB-CB 4.41Å; Q7-I10 HydrophobicContact CB-CD1 3.97Å; Q7-I10 HydrophobicContact CB-CG1 4.09Å; Q7-I10 WeakPolarHBondContact O-CA 3.11Å; Q7-I10 WeakPolarHBondContact O-CB 3.36Å; Q7-I10 PolarHBondContact O-N 3.21Å; I10-L12 VanDerWaalsContact C-N 3.29Å; I10-L12 PolarHBondContact O-N 2.92Å; I10-L13 CarbonylContact O-C 3.28Å; I10-L13 PolarHBondContact O-N 2.94Å; I10-E14 HydrophobicContact CG2-CG 4.37Å; I10-E14 WeakPolarHBondContact O-CB 3.36Å; I10-E14 WeakPolarHBondContact O-CG 3.45Å; I10-E14 PolarHBondContact O-N 3.35Å; I10-F289 HydrophobicContact CD1-CE2 4.29Å; I10-F289 HydrophobicContact CD1-CZ 4.38Å; I10-F289 HydrophobicContact CG1-CE2 4.26Å; I10-F289 HydrophobicContact CG1-CZ 4.43Å
11E55.5Low49.3Very low98 Ų9881.6 Ų81.646%0.45843%0.427SS..Hα-helixtrans-60.2-38.6173.4-67.3-179.8168.700112R6 Q7 E14 L15R6-E11 HydrophobicContact CB-CG 4.14Å; Q7-E11 PolarHBondContact O-N 3.39Å; E11-E14 PolarHBondContact O-N 3.11Å; E11-L15 WeakPolarHBondContact O-CB 3.34Å; E11-L15 PolarHBondContact O-N 3.31Å
12L50.9Low50Low85 Ų8575.5 Ų75.545%0.44540%0.399SS..Hα-helixtrans-66.2-42.5174.8177.661.9000111.6P8 I10 L15 M16P8-L12 WeakPolarHBondContact O-CB 3.46Å; P8-L12 PolarHBondContact O-N 3.17Å; I10-L12 VanDerWaalsContact C-N 3.29Å; I10-L12 PolarHBondContact O-N 2.92Å; L12-L15 PolarHBondContact O-N 3.1Å; L12-M16 HydrophobicContact CD1-CE 3.44Å; L12-M16 VanDerWaalsContact CD1-CE 3.44Å; L12-M16 HydrophobicContact CD1-SD 4.2Å; L12-M16 HydrophobicContact CD2-CE 4.17Å; L12-M16 HydrophobicContact CG-CE 3.4Å; L12-M16 VanDerWaalsContact CG-CE 3.4Å; L12-M16 WeakPolarHBondContact O-CB 3.34Å; L12-M16 WeakPolarHBondContact O-CE 3.48Å; L12-M16 WeakPolarHBondContact O-CG 3.29Å; L12-M16 PolarHBondContact O-N 3.32Å
13L55.3Low50.5Low3 Ų371.6 Ų71.62%0.01638%0.383CS..Hα-helixtrans-68.3-33.6174.2-71.3170.5000112.4S9 I10 G17 V18 V19 W194 F197 H285S9-L13 WeakPolarHBondContact O-CB 3.42Å; S9-L13 WeakPolarHBondContact O-CG 3.23Å; S9-L13 PolarHBondContact O-N 3.46Å; I10-L13 CarbonylContact O-C 3.28Å; I10-L13 PolarHBondContact O-N 2.94Å; L13-G17 PolarHBondContact O-N 3.01Å; L13-V18 HydrophobicContact CB-CB 4.16Å; L13-V18 HydrophobicContact CD2-CB 3.67Å; L13-V18 HydrophobicContact CD2-CG1 3.8Å; L13-V18 HydrophobicContact CD2-CG2 3.85Å; L13-V18 HydrophobicContact CG-CB 4.48Å; L13-V18 PolarHBondContact O-N 2.73Å; L13-V19 HydrophobicContact CB-CB 4.43Å; L13-V19 HydrophobicContact CB-CG2 4.3Å; L13-V19 HydrophobicContact CD1-CG2 4.26Å; L13-V19 PolarHBondContact O-N 3.36Å; L13-W194 HydrophobicContact CD1-CE3 3.91Å; L13-W194 HydrophobicContact CD1-CZ3 3.76Å; L13-W194 HydrophobicContact CD2-CE3 4.09Å; L13-W194 HydrophobicContact CD2-CZ3 3.96Å; L13-W194 HydrophobicContact CG-CZ3 4.13Å; L13-F197 HydrophobicContact CD2-CD1 4.01Å; L13-F197 HydrophobicContact CD2-CE1 4.48Å; L13-F197 HydrophobicContact CD2-CG 4.12Å; L13-H285 WeakPolarHBondContact CD1-CE1 3.48Å
14E58.9Low50.7Low54 Ų5474.8 Ų74.825%0.25238%0.384SS..Hα-helixtrans-70.2-43.3172.9-73.4-169.8136.800111.1R6 I10 E11 M16 G17 V19 E21R6-E14 IonicContact CZ-OE1 2.92Å; R6-E14 VanDerWaalsContact NH1-CD 3.35Å; R6-E14 IonicContact NH1-OE1 2.73Å; R6-E14 PolarHBondContact NH1-OE1 2.95Å; R6-E14 IonicContact NH1-OE2 2.72Å; R6-E14 PolarHBondContact NH1-OE2 3.23Å; I10-E14 HydrophobicContact CG2-CG 4.37Å; I10-E14 WeakPolarHBondContact O-CB 3.36Å; I10-E14 WeakPolarHBondContact O-CG 3.45Å; I10-E14 PolarHBondContact O-N 3.35Å; E11-E14 PolarHBondContact O-N 3.11Å; E14-M16 VanDerWaalsContact C-N 3.27Å; E14-M16 PolarHBondContact O-N 2.95Å; E14-G17 PolarHBondContact O-N 3.38Å; E14-G17 VanDerWaalsContact O-N 3.09Å; E14-V19 WeakPolarHBondContact CA-O 3.49Å; E14-E21 WeakPolarHBondContact OE1-CA 3.35Å; E14-E21 VanDerWaalsContact OE1-CB 3.27Å; E14-E21 WeakPolarHBondContact OE1-CB 3.47Å; E14-E21 PolarHBondContact OE1-N 3.09Å
15L50.4Low50.3Low149 Ų14974.9 Ų74.978%0.7839%0.385SS*.Hα-helixtrans-59.9-38175.7-173.275.7000111.5E11 L12E11-L15 WeakPolarHBondContact O-CB 3.34Å; E11-L15 PolarHBondContact O-N 3.31Å; L12-L15 PolarHBondContact O-N 3.1Å
16M47.6Very low50.2Low89 Ų8968.1 Ų68.144%0.43837%0.373SS..THydrogen-bonded Turntrans-923.1177.7-68.7-172.6-65.300113.8L12 E14 V18 F197L12-M16 HydrophobicContact CD1-CE 3.44Å; L12-M16 VanDerWaalsContact CD1-CE 3.44Å; L12-M16 HydrophobicContact CD1-SD 4.2Å; L12-M16 HydrophobicContact CD2-CE 4.17Å; L12-M16 HydrophobicContact CG-CE 3.4Å; L12-M16 VanDerWaalsContact CG-CE 3.4Å; L12-M16 WeakPolarHBondContact O-CB 3.34Å; L12-M16 WeakPolarHBondContact O-CE 3.48Å; L12-M16 WeakPolarHBondContact O-CG 3.29Å; L12-M16 PolarHBondContact O-N 3.32Å; E14-M16 VanDerWaalsContact C-N 3.27Å; E14-M16 PolarHBondContact O-N 2.95Å; M16-V18 PolarHBondContact O-N 2.68Å; M16-F197 HydrophobicContact CE-CD2 4.2Å; M16-F197 HydrophobicContact CE-CE1 4.08Å; M16-F197 HydrophobicContact CE-CE2 3.16Å; M16-F197 HydrophobicContact CE-CZ 3.1Å; M16-F197 HydrophobicContact SD-CE2 3.58Å; M16-F197 VanDerWaalsContact SD-CE2 3.58Å; M16-F197 HydrophobicContact SD-CZ 3.92Å
17G50.5Low49.4Very low28 Ų2868 Ų6829%0.28938%0.381SS..THydrogen-bonded Turntrans68.528.5174.800000115.1L13 E14 K170 G171L13-G17 PolarHBondContact O-N 3.01Å; E14-G17 PolarHBondContact O-N 3.38Å; E14-G17 VanDerWaalsContact O-N 3.09Å; G17-K170 CarbonylContact O-C 3.57Å; G17-G171 WeakPolarHBondContact O-CA 3.26Å; G17-G171 PolarHBondContact O-N 3.26Å
18V58.4Low48.6Very low25 Ų2571 Ų7115%0.15240%0.403CS..SBendtrans-84.3-40.8173.5-177.90000111.1L13 M16 Q172 F197L13-V18 HydrophobicContact CB-CB 4.16Å; L13-V18 HydrophobicContact CD2-CB 3.67Å; L13-V18 HydrophobicContact CD2-CG1 3.8Å; L13-V18 HydrophobicContact CD2-CG2 3.85Å; L13-V18 HydrophobicContact CG-CB 4.48Å; L13-V18 PolarHBondContact O-N 2.73Å; M16-V18 PolarHBondContact O-N 2.68Å; V18-Q172 PolarHBondContact O-N 2.96Å; V18-F197 HydrophobicContact CG1-CB 4.38Å; V18-F197 HydrophobicContact CG2-CB 4.08Å; V18-F197 HydrophobicContact CG2-CD2 3.75Å; V18-F197 HydrophobicContact CG2-CG 4.06Å
19V58.6Low48.1Very low5 Ų569.9 Ų69.93%0.0339%0.394CS..BIsolated β-bridgetrans-121.2146.4174.4-179.90000108L13 E14 E21 V174L13-V19 HydrophobicContact CB-CB 4.43Å; L13-V19 HydrophobicContact CB-CG2 4.3Å; L13-V19 HydrophobicContact CD1-CG2 4.26Å; L13-V19 PolarHBondContact O-N 3.36Å; E14-V19 WeakPolarHBondContact CA-O 3.49Å; V19-E21 HydrophobicContact CG1-CG 3.61Å; V19-V174 HydrophobicContact CG1-CG2 4.4Å
20K62.2Low47.9Very low110 Ų11075.4 Ų75.448%0.47841%0.414SS..  trans-131.498.6172.1-173.4-179.5179.6-178.30109.2Q172K20-Q172 PolarHBondContact N-O 3.4Å
21E61.4Low47Very low12 Ų1279.3 Ų79.36%0.05644%0.439CS..  trans-106.5101.8175.3-53.7-144.7152.200111R6 E14 V19 G23 T175R6-E21 PolarHBondContact NH1-O 3.49Å; R6-E21 PolarHBondContact NH2-O 3.26Å; E14-E21 WeakPolarHBondContact OE1-CA 3.35Å; E14-E21 VanDerWaalsContact OE1-CB 3.27Å; E14-E21 WeakPolarHBondContact OE1-CB 3.47Å; E14-E21 PolarHBondContact OE1-N 3.09Å; V19-E21 HydrophobicContact CG1-CG 3.61Å; E21-G23 PolarHBondContact O-N 2.83Å; E21-T175 VanDerWaalsContact OE1-CG2 3.27Å; E21-T175 WeakPolarHBondContact OE1-CG2 3.31Å
22N44.1Very low46.6Very low107 Ų10778.3 Ų78.357%0.57244%0.44SS*.  trans-64.1123.9163-70-0.5000107.7
23G37.5Very low46.7Very low51 Ų5175.9 Ų75.953%0.52643%0.428SS..THydrogen-bonded Turntrans-52139.6-173.300000114.7R6 E21 E25R6-G23 VanDerWaalsContact NH2-CA 3.33Å; E21-G23 PolarHBondContact O-N 2.83Å; G23-E25 VanDerWaalsContact C-N 3.33Å; G23-E25 PolarHBondContact O-N 3.49Å
24N37.6Very low46.8Very low134 Ų13476.5 Ų76.572%0.71743%0.432SS*.THydrogen-bonded Turntrans22.460.5162.4-70.7-2.8000116.2
25E33.9Very low47.7Very low150 Ų15074.1 Ų74.170%0.70142%0.421SS*.PPolyproline II helixtrans-83.2117.9152.5-78.2-178.2168.300106.8G23G23-E25 VanDerWaalsContact C-N 3.33Å; G23-E25 PolarHBondContact O-N 3.49Å
26P36.3Very low49.4Very low102 Ų10267.2 Ų67.266%0.66239%0.385SS*.PPolyproline II helixtrans-53.2143.7168.722.9-30.7000108.1P28P26-P28 VanDerWaalsContact O-N 3.08Å
27P36.8Very low51.4Low70 Ų7063.2 Ų63.246%0.45537%0.365SS..PPolyproline II helixtrans-51.1125.2-177.921.1-32.2000107.9V29P27-V29 VanDerWaalsContact O-CG2 3.23Å; P27-V29 WeakPolarHBondContact O-CG2 3.5Å; P27-V29 PolarHBondContact O-N 2.94Å
28P34.8Very low53.4Low80 Ų8061.9 Ų61.952%0.51935%0.351SS..  trans-56.8111.3-172.516.1-28.4000109.5P26 F30P26-P28 VanDerWaalsContact O-N 3.08Å; P28-F30 PolarHBondContact O-N 3.41Å
29V39.6Very low55Low73 Ų7360.7 Ų60.744%0.44234%0.344SS..  trans-81.366.6-175.1-1750000108.5P27 N109P27-V29 VanDerWaalsContact O-CG2 3.23Å; P27-V29 WeakPolarHBondContact O-CG2 3.5Å; P27-V29 PolarHBondContact O-N 2.94Å; V29-N109 HydrophobicContact CG1-CB 3.74Å; V29-N109 VanDerWaalsContact CG1-ND2 3.27Å; V29-N109 WeakPolarHBondContact CG1-ND2 3.47Å
30F39.5Very low56.6Low147 Ų14760.4 Ų60.465%0.64534%0.342SS*.  trans-144118.2175.3-67.5-75.3000112.2P28P28-F30 PolarHBondContact O-N 3.41Å
31T37.6Very low58Low94 Ų9455.2 Ų55.258%0.57732%0.32SS*.  trans-86.6143.9159.6450000108.6
32P46.3Very low59.2Low76 Ų7660.3 Ų60.349%0.49434%0.342SS..  -141.998.880.836.1-18000111.9S34P32-S34 PolarHBondContact O-N 2.87Å
33L52.6Low61.1Low34 Ų3459.1 Ų59.118%0.17834%0.335CS..  trans-74.3119.7142.4-97.2148.2000105.8Y35 L112 L149L33-Y35 WeakPolarHBondContact CD2-O 3.42Å; L33-Y35 PolarHBondContact O-N 3.27Å; L33-L112 HydrophobicContact CB-CD1 4.49Å; L33-L112 HydrophobicContact CD1-CD1 3.44Å; L33-L112 VanDerWaalsContact CD1-CD1 3.44Å; L33-L112 HydrophobicContact CD1-CD2 3.46Å; L33-L112 VanDerWaalsContact CD1-CD2 3.46Å; L33-L112 HydrophobicContact CD1-CG 4.01Å; L33-L149 HydrophobicContact CD2-CB 3.81Å; L33-L149 HydrophobicContact CD2-CD1 4.01Å
34S59.3Low63.2Low16 Ų1658.6 Ų58.611%0.11232%0.319CS..SBendtrans-63.4-20167.342.20000111.3P32P32-S34 PolarHBondContact O-N 2.87Å
35Y77.8Confident64.9Low5 Ų559.1 Ų59.12%0.0232%0.317CS..  trans-143.7134.4-176.5-55-76.7000112.6L33 T69 I81 Q82 K529 W533L33-Y35 WeakPolarHBondContact CD2-O 3.42Å; L33-Y35 PolarHBondContact O-N 3.27Å; Y35-T69 HydrophobicContact CE1-CG2 3.74Å; Y35-T69 WeakPolarHBondContact CE1-OG1 3.48Å; Y35-T69 VanDerWaalsContact OH-CG2 3.26Å; Y35-T69 WeakPolarHBondContact OH-CG2 3.25Å; Y35-T69 PolarHBondContact OH-OG1 2.95Å; Y35-I81 CarbonylContact C-O 3.58Å; Y35-I81 WeakPolarHBondContact CA-O 3.44Å; Y35-Q82 HydrophobicContact CD1-CB 4.42Å; Y35-K529 HydrophobicContact CE2-CD 4.26Å; Y35-W533 HydrophobicContact CD1-CZ2 4.37Å; Y35-W533 AromaticContact CD2-CZ2 3.51Å; Y35-W533 HydrophobicContact CD2-CZ2 3.51Å; Y35-W533 AromaticContact CD2-NE1 3.97Å; Y35-W533 HydrophobicContact CE1-CZ2 4.35Å; Y35-W533 HydrophobicContact CE2-CH2 4.36Å; Y35-W533 AromaticContact CE2-CZ2 3.48Å; Y35-W533 HydrophobicContact CE2-CZ2 3.48Å; Y35-W533 VanDerWaalsContact CE2-CZ2 3.48Å; Y35-W533 AromaticContact CG-CZ2 3.96Å; Y35-W533 HydrophobicContact CG-CZ2 3.96Å; Y35-W533 AromaticContact CZ-CZ2 3.91Å
36D84.9Confident66.3Low4 Ų457.1 Ų57.12%0.02131%0.312CS..SBendtrans-80.6-26.3177.4-59.1-66.1000111.6I81 A83 R115 V119D36-I81 PolarHBondContact N-O 3.34Å; D36-A83 PolarHBondContact OD2-N 3.35Å; D36-R115 IonicContact OD1-CZ 3.4Å; D36-R115 IonicContact OD1-NE 3.02Å; D36-R115 PolarHBondContact OD1-NE 3.36Å; D36-R115 VanDerWaalsContact OD1-NE 3.1Å; D36-R115 IonicContact OD1-NH2 3.72Å; D36-R115 PolarHBondContact OD1-NH2 2.84Å; D36-R115 IonicContact OD2-NH2 3.75Å; D36-R115 PolarHBondContact OD2-NH2 3.14Å; D36-V119 HydrophobicContact CB-CB 4.23Å; D36-V119 HydrophobicContact CB-CG1 4.06Å; D36-V119 HydrophobicContact CB-CG2 3.92Å
37Y89.4Confident67.5Low4 Ų463.8 Ų63.82%0.01632%0.324CS..EExtended strand (participates in β ladder)trans-153.2153.5-174.8-141.3-110.5000112.1L39 I81 H120 I123 R146 C148Y37-L39 HydrophobicContact CD1-CD2 4.21Å; Y37-L39 HydrophobicContact CE1-CD2 4.22Å; Y37-I81 PolarHBondContact N-O 3.31Å; Y37-I81 PolarHBondContact O-N 3.4Å; Y37-H120 HydrophobicContact CE2-CB 4.19Å; Y37-H120 AromaticContact CE2-ND1 3.66Å; Y37-H120 AromaticContact CZ-ND1 3.6Å; Y37-H120 PolarHBondContact OH-CE1 2.99Å; Y37-H120 PolarHBondContact OH-ND1 3.14Å; Y37-I123 HydrophobicContact CD1-CD1 3.48Å; Y37-I123 VanDerWaalsContact CD1-CD1 3.48Å; Y37-I123 HydrophobicContact CD1-CG2 4.32Å; Y37-I123 HydrophobicContact CE1-CD1 4.23Å; Y37-I123 HydrophobicContact CE1-CG2 4.18Å; Y37-I123 HydrophobicContact CG-CD1 3.67Å; Y37-R146 HydrophobicContact CE1-CB 3.71Å; Y37-R146 HydrophobicContact CE1-CG 4.1Å; Y37-R146 PolarHBondContact OH-NH1 3.32Å; Y37-R146 VanDerWaalsContact OH-NH1 3.16Å; Y37-C148 WeakPolarHBondContact CE2-SG 3.3Å
38V92.1Very high69.4Low0 Ų064.4 Ų64.40%032%0.32CS..EExtended strand (participates in β ladder)trans-126.8130.5174.1-179.80000110.4V40 F78 Y79 R146 F147 L149 W533V38-V40 HydrophobicContact CG1-CG2 4.34Å; V38-F78 HydrophobicContact CG1-CD1 4.28Å; V38-Y79 WeakPolarHBondContact CA-O 3.46Å; V38-R146 WeakPolarHBondContact O-CA 3.49Å; V38-F147 HydrophobicContact CB-CD2 4.36Å; V38-F147 HydrophobicContact CB-CE1 4.48Å; V38-F147 HydrophobicContact CB-CE2 3.95Å; V38-F147 HydrophobicContact CB-CZ 4.01Å; V38-F147 HydrophobicContact CG1-CE1 4.25Å; V38-F147 HydrophobicContact CG1-CE2 4.22Å; V38-F147 HydrophobicContact CG1-CZ 3.81Å; V38-F147 HydrophobicContact CG2-CE2 4.39Å; V38-F147 PolarHBondContact N-O 3.25Å; V38-F147 PolarHBondContact O-N 3.35Å; V38-L149 HydrophobicContact CG2-CD1 3.82Å; V38-L149 HydrophobicContact CG2-CD2 3.99Å; V38-L149 HydrophobicContact CG2-CG 3.85Å; V38-W533 HydrophobicContact CG2-CD2 4.38Å; V38-W533 HydrophobicContact CG2-CG 4.33Å
39L92.9Very high71.7Confident0 Ų069.8 Ų69.80%033%0.33CS..EExtended strand (participates in β ladder)trans-107140.6168.6-58.1176.4000109.9Y37 Y57 Y79 I81 I123 L134 F143 R146Y37-L39 HydrophobicContact CD1-CD2 4.21Å; Y37-L39 HydrophobicContact CE1-CD2 4.22Å; L39-Y57 HydrophobicContact CD1-CD1 4.46Å; L39-Y57 HydrophobicContact CD1-CE1 3.81Å; L39-Y79 PolarHBondContact N-O 3.3Å; L39-Y79 PolarHBondContact O-N 3.34Å; L39-I81 HydrophobicContact CD1-CD1 3.58Å; L39-I81 HydrophobicContact CG-CD1 3.66Å; L39-I123 HydrophobicContact CD2-CG2 4.48Å; L39-L134 HydrophobicContact CD2-CD2 4Å; L39-F143 HydrophobicContact CB-CD1 4.2Å; L39-F143 HydrophobicContact CB-CE1 4.31Å; L39-F143 HydrophobicContact CD1-CE1 4.24Å; L39-F143 HydrophobicContact CD1-CZ 4.48Å; L39-R146 HydrophobicContact CD2-CB 3.49Å; L39-R146 VanDerWaalsContact CD2-CB 3.49Å
40V92Very high73.8Confident0 Ų069.4 Ų69.40%032%0.323CS..EExtended strand (participates in β ladder)trans-120.2132.6177.1-174.40000109.3V38 L76 V77 F78 E144 T145 F147 Y537V38-V40 HydrophobicContact CG1-CG2 4.34Å; V40-L76 HydrophobicContact CG1-CB 4.4Å; V40-L76 HydrophobicContact CG1-CD1 4.5Å; V40-L76 HydrophobicContact CG1-CD2 4.26Å; V40-V77 WeakPolarHBondContact CA-O 3.2Å; V40-F78 HydrophobicContact CG1-CD1 4.46Å; V40-F78 HydrophobicContact CG1-CE1 4.21Å; V40-F78 HydrophobicContact CG2-CD1 3.59Å; V40-F78 HydrophobicContact CG2-CE1 3.69Å; V40-E144 PolarHBondContact O-N 3.43Å; V40-T145 HydrophobicContact CB-CG2 3.93Å; V40-T145 HydrophobicContact CG2-CG2 4.04Å; V40-T145 PolarHBondContact N-O 3.2Å; V40-T145 PolarHBondContact O-N 3.32Å; V40-F147 HydrophobicContact CG2-CE1 3.65Å; V40-F147 HydrophobicContact CG2-CZ 4.3Å; V40-Y537 HydrophobicContact CB-CD2 4.43Å; V40-Y537 HydrophobicContact CB-CE2 4.33Å; V40-Y537 HydrophobicContact CG1-CD2 4.3Å; V40-Y537 HydrophobicContact CG1-CE2 3.95Å; V40-Y537 HydrophobicContact CG2-CD2 3.95Å; V40-Y537 HydrophobicContact CG2-CE2 4.35Å
41A91.6Very high76Confident0 Ų062.6 Ų62.60%029%0.294CS..EExtended strand (participates in β ladder)trans-133.2157.3174.600000110.4L76 V77 Y79 F143A41-L76 CarbonylContact O-C 3.57Å; A41-L76 WeakPolarHBondContact O-CA 3.37Å; A41-V77 PolarHBondContact N-O 3.37Å; A41-V77 PolarHBondContact O-N 2.8Å; A41-Y79 HydrophobicContact CB-CE2 4.15Å; A41-F143 HydrophobicContact CB-CD1 3.88Å; A41-F143 HydrophobicContact CB-CE1 4.25Å
42K87.4Confident78.4Confident120 Ų12065 Ų6552%0.52230%0.297SS..EExtended strand (participates in β ladder)trans-73.7141.1168-67-175178.3-175.50109.6M44 L76K42-M44 HydrophobicContact CB-CG 4.31Å; K42-M44 PolarHBondContact O-N 3.42Å; K42-L76 HydrophobicContact CG-CD2 4.18Å
43L83.4Confident80.5Confident81 Ų8162.4 Ų62.442%0.42428%0.278SS..  trans-66.9114169.4-173.469.8000107.4I72 N75 V77L43-I72 HydrophobicContact CD1-CD1 4.38Å; L43-I72 HydrophobicContact CD1-CG2 4.3Å; L43-I72 HydrophobicContact CD2-CG2 4.23Å; L43-N75 WeakPolarHBondContact CB-O 3.34Å; L43-N75 PolarHBondContact N-O 3.04Å; L43-V77 HydrophobicContact CB-CG2 4.05Å; L43-V77 HydrophobicContact CD1-CG2 3.64Å; L43-V77 HydrophobicContact CG-CG2 4.48Å
44M80.6Confident82.2Confident41 Ų4161.2 Ų61.220%0.20227%0.271CS..  trans-121.8151.6-179.6-66-159.8-87.200109.5K42 E48 H50 A51K42-M44 HydrophobicContact CB-CG 4.31Å; K42-M44 PolarHBondContact O-N 3.42Å; M44-E48 WeakPolarHBondContact CB-OE2 3.28Å; M44-H50 HydrophobicContact CE-CB 3.29Å; M44-H50 HydrophobicContact SD-CB 4.13Å; M44-A51 HydrophobicContact CB-CB 4.43Å
45E73.3Confident83.6Confident145 Ų14566.2 Ų66.268%0.67829%0.288SS*.  trans-67.5146.3178.3-70.2-172.2177.400111.2R47 E48 A51E45-R47 PolarHBondContact O-N 2.92Å; E45-E48 WeakPolarHBondContact O-CB 3.02Å; E45-E48 PolarHBondContact O-N 3.24Å; E45-A51 WeakPolarHBondContact O-CB 3.02Å
46D64.4Low84.3Confident108 Ų10868 Ų6858%0.57830%0.296SS*.THydrogen-bonded Turntrans-61.4-19.5-171.9-97.85.4000114.7E48 R55D46-E48 VanDerWaalsContact C-N 3.32Å; D46-R55 VanDerWaalsContact CG-CZ 3.49Å; D46-R55 VanDerWaalsContact CG-NH2 3.26Å; D46-R55 PolarHBondContact O-NH2 3.36Å; D46-R55 VanDerWaalsContact O-NH2 3.12Å; D46-R55 IonicContact OD1-CZ 2.88Å; D46-R55 VanDerWaalsContact OD1-CZ 3.27Å; D46-R55 IonicContact OD1-NH1 3.97Å; D46-R55 PolarHBondContact OD1-NH1 3.3Å; D46-R55 IonicContact OD1-NH2 2.93Å; D46-R55 PolarHBondContact OD1-NH2 3.1Å; D46-R55 IonicContact OD2-CZ 2.85Å; D46-R55 IonicContact OD2-NH1 2.67Å; D46-R55 PolarHBondContact OD2-NH1 3.32Å; D46-R55 IonicContact OD2-NH2 3.97Å
47R61.1Low84.7Confident242 Ų24267.8 Ų67.891%0.91330%0.295SS*.THydrogen-bonded Turntrans-78.3-14.7177.4-66.1-177-179.9-177.40.7113.1E45E45-R47 PolarHBondContact O-N 2.92Å
48E77.1Confident84.8Confident83 Ų8368.1 Ų68.139%0.38830%0.297SS..SBendtrans-75137.8-178.6-67.9-171.1-16900112.1M44 E45 D46 H50 A51 K52M44-E48 WeakPolarHBondContact CB-OE2 3.28Å; E45-E48 WeakPolarHBondContact O-CB 3.02Å; E45-E48 PolarHBondContact O-N 3.24Å; D46-E48 VanDerWaalsContact C-N 3.32Å; E48-H50 PolarHBondContact O-N 3.45Å; E48-H50 VanDerWaalsContact O-N 3.1Å; E48-A51 HydrophobicContact CB-CB 4.42Å; E48-A51 PolarHBondContact O-N 3.42Å; E48-K52 PolarHBondContact O-N 3.41Å
49R82.9Confident84.8Confident192 Ų19272.5 Ų72.573%0.72532%0.317SS*.Hα-helixtrans-53-34.2175.1-172.4177.8-177.9-173.30.5112K53R49-K53 WeakPolarHBondContact O-CG 3.45Å; R49-K53 PolarHBondContact O-N 3.46Å; R49-K53 VanDerWaalsContact O-N 3.16Å
50H84.3Confident84.8Confident65 Ų6575.3 Ų75.330%0.30133%0.331SS..Hα-helixtrans-69.7-41.4177.8-62.8165.8000112.7M44 E48 K52 K53 Q54 V142M44-H50 HydrophobicContact CE-CB 3.29Å; M44-H50 HydrophobicContact SD-CB 4.13Å; E48-H50 PolarHBondContact O-N 3.45Å; E48-H50 VanDerWaalsContact O-N 3.1Å; H50-K52 VanDerWaalsContact C-N 3.28Å; H50-K52 PolarHBondContact O-N 2.91Å; H50-K53 PolarHBondContact O-N 3.34Å; H50-Q54 WeakPolarHBondContact O-CG 3.32Å; H50-Q54 PolarHBondContact O-N 3.41Å; H50-V142 HydrophobicContact CB-CG2 4.24Å
51A85.1Confident84.7Confident4 Ų475.3 Ų75.33%0.03333%0.331CS..Hα-helixtrans-62.9-35.7176.700000111.8M44 E45 E48 R55M44-A51 HydrophobicContact CB-CB 4.43Å; E45-A51 WeakPolarHBondContact O-CB 3.02Å; E48-A51 HydrophobicContact CB-CB 4.42Å; E48-A51 PolarHBondContact O-N 3.42Å; A51-R55 PolarHBondContact O-N 2.78Å; A51-R55 VanDerWaalsContact O-N 3.1Å
52K87.9Confident84.8Confident146 Ų14681.5 Ų81.564%0.63535%0.354SS*.Hα-helixtrans-63.2-49171.7-171.5176.4179.3179.90111.7E48 H50 Q54 R55 E56E48-K52 PolarHBondContact O-N 3.41Å; H50-K52 VanDerWaalsContact C-N 3.28Å; H50-K52 PolarHBondContact O-N 2.91Å; K52-Q54 VanDerWaalsContact C-N 3.33Å; K52-Q54 PolarHBondContact O-N 2.99Å; K52-R55 PolarHBondContact O-N 3.45Å; K52-E56 WeakPolarHBondContact O-CB 3.39Å; K52-E56 PolarHBondContact O-N 2.92Å
53K89.4Confident85Confident21 Ų2180.9 Ų80.99%0.09136%0.355CS..Hα-helixtrans-60.5-39.1176.9-72.8-174.8172.4-161.50112.7R49 H50 Y57 I128 E132 L137 V142R49-K53 WeakPolarHBondContact O-CG 3.45Å; R49-K53 PolarHBondContact O-N 3.46Å; R49-K53 VanDerWaalsContact O-N 3.16Å; H50-K53 PolarHBondContact O-N 3.34Å; K53-Y57 WeakPolarHBondContact O-CB 3.41Å; K53-Y57 PolarHBondContact O-N 2.92Å; K53-I128 HydrophobicContact CG-CD1 4.35Å; K53-E132 WeakPolarHBondContact CE-OE2 3.47Å; K53-E132 IonicContact NZ-OE1 2.82Å; K53-E132 PolarHBondContact NZ-OE1 3.05Å; K53-E132 IonicContact NZ-OE2 2.61Å; K53-E132 PolarHBondContact NZ-OE2 3.36Å; K53-L137 HydrophobicContact CB-CD2 4.36Å; K53-L137 HydrophobicContact CD-CD2 4.18Å; K53-V142 HydrophobicContact CB-CG1 4.02Å; K53-V142 HydrophobicContact CB-CG2 4.42Å; K53-V142 HydrophobicContact CD-CG2 4.16Å
54Q89.3Confident85.2Confident9 Ų979.9 Ų79.94%0.04235%0.348CS..Hα-helixtrans-59.7-51.5174.6-73.3171.7-1.500111H50 K52 E56 Y57 I58 V142 F143H50-Q54 WeakPolarHBondContact O-CG 3.32Å; H50-Q54 PolarHBondContact O-N 3.41Å; K52-Q54 VanDerWaalsContact C-N 3.33Å; K52-Q54 PolarHBondContact O-N 2.99Å; Q54-E56 VanDerWaalsContact C-N 3.35Å; Q54-E56 PolarHBondContact O-N 3.48Å; Q54-Y57 PolarHBondContact O-N 2.61Å; Q54-I58 WeakPolarHBondContact O-CG1 3.25Å; Q54-I58 PolarHBondContact O-N 2.64Å; Q54-I58 VanDerWaalsContact O-N 3.09Å; Q54-V142 HydrophobicContact CB-CG1 4.42Å; Q54-V142 HydrophobicContact CG-CG1 3.46Å; Q54-V142 VanDerWaalsContact CG-CG1 3.46Å; Q54-V142 PolarHBondContact NE2-O 2.69Å; Q54-F143 HydrophobicContact CB-CZ 4.45Å; Q54-F143 HydrophobicContact CG-CZ 4.34Å
55R89.6Confident85.6Confident120 Ų12084 Ų8445%0.45337%0.37SS..Hα-helixtrans-60.8-45179.7-77.1-171.9-79.8-158-4.4111.8D46 A51 K52 Y57 I58 E59D46-R55 VanDerWaalsContact CG-CZ 3.49Å; D46-R55 VanDerWaalsContact CG-NH2 3.26Å; D46-R55 PolarHBondContact O-NH2 3.36Å; D46-R55 VanDerWaalsContact O-NH2 3.12Å; D46-R55 IonicContact OD1-CZ 2.88Å; D46-R55 VanDerWaalsContact OD1-CZ 3.27Å; D46-R55 IonicContact OD1-NH1 3.97Å; D46-R55 PolarHBondContact OD1-NH1 3.3Å; D46-R55 IonicContact OD1-NH2 2.93Å; D46-R55 PolarHBondContact OD1-NH2 3.1Å; D46-R55 IonicContact OD2-CZ 2.85Å; D46-R55 IonicContact OD2-NH1 2.67Å; D46-R55 PolarHBondContact OD2-NH1 3.32Å; D46-R55 IonicContact OD2-NH2 3.97Å; A51-R55 PolarHBondContact O-N 2.78Å; A51-R55 VanDerWaalsContact O-N 3.1Å; K52-R55 PolarHBondContact O-N 3.45Å; R55-Y57 PolarHBondContact O-N 3.15Å; R55-I58 PolarHBondContact O-N 2.72Å; R55-E59 WeakPolarHBondContact O-CB 3.36Å; R55-E59 PolarHBondContact O-N 2.7Å
56E91.4Very high86.5Confident43 Ų4377.3 Ų77.320%0.20134%0.339CS..Hα-helixtrans-59.6-45.6179-171.5-179.8167.200112K52 Q54 I58 E59 Q60 I128 S129K52-E56 WeakPolarHBondContact O-CB 3.39Å; K52-E56 PolarHBondContact O-N 2.92Å; Q54-E56 VanDerWaalsContact C-N 3.35Å; Q54-E56 PolarHBondContact O-N 3.48Å; E56-I58 PolarHBondContact O-N 3.45Å; E56-E59 PolarHBondContact O-N 2.59Å; E56-Q60 WeakPolarHBondContact O-CG 3.37Å; E56-Q60 PolarHBondContact O-N 3.12Å; E56-I128 HydrophobicContact CG-CB 4.3Å; E56-I128 HydrophobicContact CG-CG2 4.31Å; E56-S129 WeakPolarHBondContact OE1-CB 3.47Å; E56-S129 PolarHBondContact OE1-N 2.91Å; E56-S129 PolarHBondContact OE1-OG 2.99Å
57Y92.8Very high87.7Confident0 Ų077.3 Ų77.30%033%0.334CS..Hα-helixtrans-63.6-41.5177.7-177.8-96.7000112.7L39 K53 Q54 R55 E59 Q60 L61 I123 T126 I128 L134 L137 F143L39-Y57 HydrophobicContact CD1-CD1 4.46Å; L39-Y57 HydrophobicContact CD1-CE1 3.81Å; K53-Y57 WeakPolarHBondContact O-CB 3.41Å; K53-Y57 PolarHBondContact O-N 2.92Å; Q54-Y57 PolarHBondContact O-N 2.61Å; R55-Y57 PolarHBondContact O-N 3.15Å; Y57-E59 VanDerWaalsContact C-N 3.31Å; Y57-E59 PolarHBondContact O-N 3.03Å; Y57-Q60 PolarHBondContact O-N 2.85Å; Y57-L61 HydrophobicContact CD1-CD1 4.31Å; Y57-L61 HydrophobicContact CE1-CD1 3.79Å; Y57-L61 HydrophobicContact CE1-CG 4.28Å; Y57-L61 PolarHBondContact O-N 3.41Å; Y57-I123 WeakPolarHBondContact OH-CG2 3.47Å; Y57-I123 PolarHBondContact OH-O 3.41Å; Y57-T126 VanDerWaalsContact CE2-OG1 3.3Å; Y57-T126 WeakPolarHBondContact CE2-OG1 3.34Å; Y57-T126 PolarHBondContact OH-OG1 3.39Å; Y57-I128 HydrophobicContact CD2-CG2 3.92Å; Y57-I128 HydrophobicContact CG-CG2 4.36Å; Y57-L134 HydrophobicContact CE1-CD1 4.15Å; Y57-L134 HydrophobicContact CE2-CB 4.28Å; Y57-L137 HydrophobicContact CD2-CD1 3.59Å; Y57-L137 HydrophobicContact CE2-CD1 4.27Å; Y57-L137 HydrophobicContact CG-CD1 3.83Å; Y57-F143 AromaticContact CD1-CE2 3.67Å; Y57-F143 HydrophobicContact CD1-CE2 3.67Å; Y57-F143 AromaticContact CD1-CZ 3.74Å; Y57-F143 HydrophobicContact CD1-CZ 3.74Å; Y57-F143 HydrophobicContact CE1-CE2 4.34Å; Y57-F143 HydrophobicContact CE1-CZ 4.47Å; Y57-F143 HydrophobicContact CG-CE2 4.06Å; Y57-F143 HydrophobicContact CG-CZ 4.42Å
58I92.5Very high89.2Confident11 Ų1166.7 Ų66.76%0.05630%0.296CS..Hα-helixtrans-66-35.6176.1-63.3-58.4000111.4Q54 R55 E56 L61 R62 V68 Y79 F143Q54-I58 WeakPolarHBondContact O-CG1 3.25Å; Q54-I58 PolarHBondContact O-N 2.64Å; Q54-I58 VanDerWaalsContact O-N 3.09Å; R55-I58 PolarHBondContact O-N 2.72Å; E56-I58 PolarHBondContact O-N 3.45Å; I58-L61 HydrophobicContact CD1-CD1 4.3Å; I58-L61 WeakPolarHBondContact O-CB 3.23Å; I58-L61 PolarHBondContact O-N 3.07Å; I58-R62 PolarHBondContact O-N 3.21Å; I58-V68 HydrophobicContact CD1-CG1 4.4Å; I58-V68 HydrophobicContact CG2-CB 4.34Å; I58-V68 HydrophobicContact CG2-CG1 4Å; I58-V68 HydrophobicContact CG2-CG2 4.39Å; I58-Y79 HydrophobicContact CD1-CD1 3.88Å; I58-Y79 HydrophobicContact CD1-CE1 4.22Å; I58-Y79 HydrophobicContact CD1-CG 4.04Å; I58-Y79 HydrophobicContact CG1-CD1 4.11Å; I58-Y79 HydrophobicContact CG1-CE1 3.95Å; I58-F143 HydrophobicContact CD1-CZ 4.41Å
59E92.7Very high89.8Confident91 Ų9164.3 Ų64.343%0.42529%0.287SS..Hα-helixtrans-67.6-38.7176.3-164.559.8-161.400111.7R55 E56 Y57 L61 R62 I63R55-E59 WeakPolarHBondContact O-CB 3.36Å; R55-E59 PolarHBondContact O-N 2.7Å; E56-E59 PolarHBondContact O-N 2.59Å; Y57-E59 VanDerWaalsContact C-N 3.31Å; Y57-E59 PolarHBondContact O-N 3.03Å; E59-L61 VanDerWaalsContact C-N 3.26Å; E59-L61 PolarHBondContact O-N 2.93Å; E59-R62 WeakPolarHBondContact O-CA 3.41Å; E59-R62 WeakPolarHBondContact O-CB 3.43Å; E59-R62 PolarHBondContact O-N 3.46Å; E59-R62 WeakPolarHBondContact OE2-CD 3.49Å; E59-R62 IonicContact OE2-NH1 3.67Å; E59-R62 PolarHBondContact OE2-NH1 3.31Å; E59-I63 WeakPolarHBondContact O-CG1 3.28Å; E59-I63 PolarHBondContact O-N 3.08Å
60Q91.5Very high90.2Very high59 Ų5960.9 Ų60.928%0.27628%0.277SS..Hα-helixtrans-59.1-36.8171.6-69.9-59.8-34.300112.6E56 Y57 K64E56-Q60 WeakPolarHBondContact O-CG 3.37Å; E56-Q60 PolarHBondContact O-N 3.12Å; Y57-Q60 PolarHBondContact O-N 2.85Å; Q60-K64 PolarHBondContact O-N 3.39Å
61L91.4Very high90.4Very high0 Ų058.6 Ų58.60%027%0.267CS..Hα-helixtrans-66.9-39173-67.1177.2000111.8Y57 I58 E59 K64 F66 V68 I81 I123 T126Y57-L61 HydrophobicContact CD1-CD1 4.31Å; Y57-L61 HydrophobicContact CE1-CD1 3.79Å; Y57-L61 HydrophobicContact CE1-CG 4.28Å; Y57-L61 PolarHBondContact O-N 3.41Å; I58-L61 HydrophobicContact CD1-CD1 4.3Å; I58-L61 WeakPolarHBondContact O-CB 3.23Å; I58-L61 PolarHBondContact O-N 3.07Å; E59-L61 VanDerWaalsContact C-N 3.26Å; E59-L61 PolarHBondContact O-N 2.93Å; L61-K64 CarbonylContact O-C 3.59Å; L61-K64 PolarHBondContact O-N 3.25Å; L61-F66 HydrophobicContact CB-CB 4.22Å; L61-F66 WeakPolarHBondContact O-CB 3.27Å; L61-F66 WeakPolarHBondContact O-CD2 3.35Å; L61-F66 PolarHBondContact O-N 3.31Å; L61-V68 HydrophobicContact CB-CG2 4.4Å; L61-I81 HydrophobicContact CD1-CD1 3.91Å; L61-I123 HydrophobicContact CD2-CG1 4.47Å; L61-T126 HydrophobicContact CD2-CG2 4.09Å
62R92.4Very high90.5Very high131 Ų13162.6 Ų62.649%0.49429%0.287SS..Hα-helixtrans-66.7-38.7176.8-73.5175172177.9-5.5112.9I58 E59 K64 N65I58-R62 PolarHBondContact O-N 3.21Å; E59-R62 WeakPolarHBondContact O-CA 3.41Å; E59-R62 WeakPolarHBondContact O-CB 3.43Å; E59-R62 PolarHBondContact O-N 3.46Å; E59-R62 WeakPolarHBondContact OE2-CD 3.49Å; E59-R62 IonicContact OE2-NH1 3.67Å; E59-R62 PolarHBondContact OE2-NH1 3.31Å; R62-K64 PolarHBondContact O-N 3.26Å; R62-N65 WeakPolarHBondContact O-CA 3.23Å; R62-N65 PolarHBondContact O-N 3.27Å
63I91.1Very high90.4Very high106 Ų10657.4 Ų57.454%0.54426%0.264SS..Hα-helixtrans-58-35173-68.7166.9000110.6E59 N65E59-I63 WeakPolarHBondContact O-CG1 3.28Å; E59-I63 PolarHBondContact O-N 3.08Å; I63-N65 PolarHBondContact O-N 3.46Å
64K87.9Confident90Very high61 Ų6160.8 Ų60.827%0.26528%0.283SS..THydrogen-bonded Turntrans-81.416.3173.4-65.2-173.7179.9-130.10114Q60 L61 R62 F66 T126 N311Q60-K64 PolarHBondContact O-N 3.39Å; L61-K64 CarbonylContact O-C 3.59Å; L61-K64 PolarHBondContact O-N 3.25Å; R62-K64 PolarHBondContact O-N 3.26Å; K64-F66 VanDerWaalsContact C-N 3.29Å; K64-F66 HydrophobicContact CB-CD2 3.83Å; K64-F66 HydrophobicContact CB-CE2 4Å; K64-F66 PolarHBondContact O-N 2.9Å; K64-T126 HydrophobicContact CD-CG2 3.86Å; K64-N311 PolarHBondContact NZ-O 3.34Å; K64-N311 PolarHBondContact NZ-OD1 2.75Å
65N90.6Very high89.8Confident126 Ų12666.1 Ų66.167%0.67431%0.312SS*.THydrogen-bonded Turntrans60.924.8-179.3-64.2-34.6000115.3R62 I63 P84R62-N65 WeakPolarHBondContact O-CA 3.23Å; R62-N65 PolarHBondContact O-N 3.27Å; I63-N65 PolarHBondContact O-N 3.46Å; N65-P84 HydrophobicContact CB-CB 4.39Å; N65-P84 HydrophobicContact CB-CG 4.13Å; N65-P84 WeakPolarHBondContact O-CD 3.42Å; N65-P84 WeakPolarHBondContact O-CG 3.36Å
66F91.3Very high89.8Confident6 Ų661.3 Ų61.33%0.02630%0.295CS..  trans-76.1132.7171-75.3-103.9000111L61 K64 V68 I81 A83 I87 V119 I122L61-F66 HydrophobicContact CB-CB 4.22Å; L61-F66 WeakPolarHBondContact O-CB 3.27Å; L61-F66 WeakPolarHBondContact O-CD2 3.35Å; L61-F66 PolarHBondContact O-N 3.31Å; K64-F66 VanDerWaalsContact C-N 3.29Å; K64-F66 HydrophobicContact CB-CD2 3.83Å; K64-F66 HydrophobicContact CB-CE2 4Å; K64-F66 PolarHBondContact O-N 2.9Å; F66-V68 HydrophobicContact CB-CG2 4.47Å; F66-V68 PolarHBondContact O-N 3.02Å; F66-I81 HydrophobicContact CB-CG2 4.43Å; F66-I81 HydrophobicContact CD1-CG2 3.48Å; F66-I81 VanDerWaalsContact CD1-CG2 3.48Å; F66-I81 HydrophobicContact CE1-CG2 4.13Å; F66-I81 HydrophobicContact CG-CG2 4.33Å; F66-A83 HydrophobicContact CD1-CB 3.98Å; F66-A83 HydrophobicContact CE1-CB 3.53Å; F66-A83 HydrophobicContact CZ-CB 4.21Å; F66-I87 HydrophobicContact CD2-CD1 4.49Å; F66-I87 HydrophobicContact CE2-CD1 3.61Å; F66-I87 HydrophobicContact CZ-CD1 3.72Å; F66-V119 HydrophobicContact CE1-CG1 4.28Å; F66-V119 HydrophobicContact CE1-CG2 4.46Å; F66-I122 HydrophobicContact CE2-CG2 3.89Å; F66-I122 HydrophobicContact CZ-CB 4.32Å; F66-I122 HydrophobicContact CZ-CD1 4.24Å; F66-I122 HydrophobicContact CZ-CG2 3.72Å
67K90.4Very high89.8Confident107 Ų10759.4 Ų59.447%0.46529%0.286SS..EExtended strand (participates in β ladder)trans-81117.6170.5-174.9-177.1177.1-167.40108.3Q82 E523K67-Q82 HydrophobicContact CB-CB 4.29Å; K67-Q82 PolarHBondContact N-O 3.24Å; K67-Q82 PolarHBondContact O-N 3.21Å; K67-E523 IonicContact NZ-OE1 3.3Å
68V92.1Very high89.7Confident20 Ų2059.4 Ų59.412%0.12129%0.286CS..EExtended strand (participates in β ladder)trans-116118.4-179.1-175.30000110I58 L61 F66 Y79 G80I58-V68 HydrophobicContact CD1-CG1 4.4Å; I58-V68 HydrophobicContact CG2-CB 4.34Å; I58-V68 HydrophobicContact CG2-CG1 4Å; I58-V68 HydrophobicContact CG2-CG2 4.39Å; L61-V68 HydrophobicContact CB-CG2 4.4Å; F66-V68 HydrophobicContact CB-CG2 4.47Å; F66-V68 PolarHBondContact O-N 3.02Å; V68-Y79 HydrophobicContact CG1-CD1 3.97Å; V68-G80 WeakPolarHBondContact CA-O 3.49Å
69T89.6Confident89.7Confident33 Ų3359.6 Ų59.620%0.20229%0.286CS..EExtended strand (participates in β ladder)trans-103.8132.3173.757.90000110.8Y35 Y79 G80Y35-T69 HydrophobicContact CE1-CG2 3.74Å; Y35-T69 WeakPolarHBondContact CE1-OG1 3.48Å; Y35-T69 VanDerWaalsContact OH-CG2 3.26Å; Y35-T69 WeakPolarHBondContact OH-CG2 3.25Å; Y35-T69 PolarHBondContact OH-OG1 2.95Å; T69-Y79 CarbonylContact O-C 3.54Å; T69-Y79 WeakPolarHBondContact O-CA 3.47Å; T69-G80 PolarHBondContact N-O 3.07Å; T69-G80 PolarHBondContact O-N 3.46Å; T69-G80 PolarHBondContact OG1-O 3.5Å
70K90.8Very high89.7Confident119 Ų11955.2 Ų55.252%0.51727%0.266SS..EExtended strand (participates in β ladder)trans-107.8124.1-177.8-176.7-173.5179.6-173.70109.7V77 F78 Y79K70-V77 HydrophobicContact CD-CG1 4.11Å; K70-V77 VanDerWaalsContact CE-CG1 3.49Å; K70-V77 HydrophobicContact CG-CG1 3.6Å; K70-F78 WeakPolarHBondContact CA-O 3.28Å; K70-Y79 HydrophobicContact CB-CD1 4.33Å; K70-Y79 HydrophobicContact CB-CE1 4.36Å; K70-Y79 HydrophobicContact CD-CE1 4.19Å; K70-Y79 HydrophobicContact CG-CD1 4.32Å; K70-Y79 HydrophobicContact CG-CE1 3.99Å
71I88.2Confident89.7Confident17 Ų1752.4 Ų52.49%0.08725%0.253CS..EExtended strand (participates in β ladder)trans-123.7128.8172.5-54.5-178000108.5F78 K529 L530 W533I71-F78 PolarHBondContact N-O 2.98Å; I71-F78 PolarHBondContact O-N 3.01Å; I71-K529 HydrophobicContact CD1-CB 4.38Å; I71-L530 HydrophobicContact CG2-CB 4.41Å; I71-L530 HydrophobicContact CG2-CD1 3.97Å; I71-L530 HydrophobicContact CG2-CD2 4.46Å; I71-W533 HydrophobicContact CB-CE3 4.46Å; I71-W533 HydrophobicContact CB-CZ3 3.86Å; I71-W533 HydrophobicContact CD1-CE3 4.01Å; I71-W533 HydrophobicContact CD1-CH2 3.73Å; I71-W533 HydrophobicContact CD1-CZ3 3.44Å; I71-W533 VanDerWaalsContact CD1-CZ3 3.44Å; I71-W533 HydrophobicContact CG1-CE3 4.46Å; I71-W533 HydrophobicContact CG1-CH2 4.04Å; I71-W533 HydrophobicContact CG1-CZ3 3.6Å
72I88.3Confident89.6Confident89 Ų8954.9 Ų54.946%0.45626%0.264SS..EExtended strand (participates in β ladder)trans-104.4129.6-179.4-54.1174.8000108.9L43 L76 V77L43-I72 HydrophobicContact CD1-CD1 4.38Å; L43-I72 HydrophobicContact CD1-CG2 4.3Å; L43-I72 HydrophobicContact CD2-CG2 4.23Å; I72-L76 WeakPolarHBondContact CA-O 3.33Å; I72-V77 HydrophobicContact CG1-CG1 4.43Å; I72-V77 HydrophobicContact CG1-CG2 4.33Å
73Y84.9Confident89.5Confident36 Ų3649 Ų4914%0.14124%0.243CC..EExtended strand (participates in β ladder)trans-153.4123.2177-176.6-112.1000111.6L76 L503 L530 H534Y73-L76 PolarHBondContact N-O 3.34Å; Y73-L76 WeakPolarHBondContact O-CB 3.47Å; Y73-L76 PolarHBondContact O-N 2.88Å; Y73-L76 VanDerWaalsContact O-N 3.07Å; Y73-L503 HydrophobicContact CE1-CD1 3.81Å; Y73-L503 HydrophobicContact CE1-CD2 4.45Å; Y73-L503 WeakPolarHBondContact OH-CD1 3.38Å; Y73-L530 HydrophobicContact CD1-CD1 4.29Å; Y73-L530 HydrophobicContact CD1-CD2 4.34Å; Y73-L530 HydrophobicContact CD2-CD2 3.72Å; Y73-L530 HydrophobicContact CE2-CD2 4.41Å; Y73-L530 HydrophobicContact CG-CD1 4.05Å; Y73-L530 HydrophobicContact CG-CD2 3.71Å; Y73-L530 HydrophobicContact CG-CG 4.33Å; Y73-H534 AromaticContact CD1-CD2 3.84Å; Y73-H534 AromaticContact CE1-CD2 3.83Å; Y73-H534 AromaticContact CE1-NE2 3.91Å
74D80.9Confident89.4Confident93 Ų9345 Ų4550%0.49722%0.224SC..THydrogen-bonded Turntrans52.458.5171.8-163.458000113.6L76 R499D74-L76 PolarHBondContact O-N 3.42Å; D74-R499 VanDerWaalsContact CG-NH2 3.34Å; D74-R499 IonicContact OD2-CZ 3.38Å; D74-R499 IonicContact OD2-NE 3.24Å; D74-R499 IonicContact OD2-NH1 2.71Å; D74-R499 PolarHBondContact OD2-NH1 2.61Å; D74-R499 IonicContact OD2-NH2 2.89Å; D74-R499 PolarHBondContact OD2-NH2 2.82Å
75N84.9Confident89.3Confident121 Ų12149.5 Ų49.565%0.64724%0.244SC*.THydrogen-bonded Turntrans58.911.3-177-59.4-18.7000115.4L43L43-N75 WeakPolarHBondContact CB-O 3.34Å; L43-N75 PolarHBondContact N-O 3.04Å
76L89.8Confident89.1Confident19 Ų1948.6 Ų48.610%0.09924%0.236CC..EExtended strand (participates in β ladder)trans-112.2147.3171.3-61.9173.9000110.3V40 A41 K42 I72 Y73 D74 F78 E144 Y537V40-L76 HydrophobicContact CG1-CB 4.4Å; V40-L76 HydrophobicContact CG1-CD1 4.5Å; V40-L76 HydrophobicContact CG1-CD2 4.26Å; A41-L76 CarbonylContact O-C 3.57Å; A41-L76 WeakPolarHBondContact O-CA 3.37Å; K42-L76 HydrophobicContact CG-CD2 4.18Å; I72-L76 WeakPolarHBondContact CA-O 3.33Å; Y73-L76 PolarHBondContact N-O 3.34Å; Y73-L76 WeakPolarHBondContact O-CB 3.47Å; Y73-L76 PolarHBondContact O-N 2.88Å; Y73-L76 VanDerWaalsContact O-N 3.07Å; D74-L76 PolarHBondContact O-N 3.42Å; L76-F78 HydrophobicContact CB-CE2 3.88Å; L76-F78 HydrophobicContact CB-CZ 4.33Å; L76-F78 HydrophobicContact CD1-CZ 4.24Å; L76-E144 WeakPolarHBondContact CD2-OE2 3.44Å; L76-Y537 HydrophobicContact CD1-CE1 3.75Å
77V91.5Very high88.9Confident2 Ų249.3 Ų49.31%0.01224%0.24CC..EExtended strand (participates in β ladder)trans-115.8120.7173.3-173.10000107.9V40 A41 L43 K70 I72 Y79V40-V77 WeakPolarHBondContact CA-O 3.2Å; A41-V77 PolarHBondContact N-O 3.37Å; A41-V77 PolarHBondContact O-N 2.8Å; L43-V77 HydrophobicContact CB-CG2 4.05Å; L43-V77 HydrophobicContact CD1-CG2 3.64Å; L43-V77 HydrophobicContact CG-CG2 4.48Å; K70-V77 HydrophobicContact CD-CG1 4.11Å; K70-V77 VanDerWaalsContact CE-CG1 3.49Å; K70-V77 HydrophobicContact CG-CG1 3.6Å; I72-V77 HydrophobicContact CG1-CG1 4.43Å; I72-V77 HydrophobicContact CG1-CG2 4.33Å; V77-Y79 HydrophobicContact CB-CE2 3.98Å; V77-Y79 HydrophobicContact CG1-CD2 4.1Å; V77-Y79 HydrophobicContact CG1-CE1 4.06Å; V77-Y79 HydrophobicContact CG1-CE2 3.47Å; V77-Y79 VanDerWaalsContact CG1-CE2 3.47Å; V77-Y79 VanDerWaalsContact CG1-CZ 3.46Å
78F91.9Very high88.8Confident0 Ų044.6 Ų44.60%022%0.219CC..EExtended strand (participates in β ladder)trans-100.9124.6174.9-62.8-95.2000109.3V38 V40 K70 I71 L76 L530 W533 Y537V38-F78 HydrophobicContact CG1-CD1 4.28Å; V40-F78 HydrophobicContact CG1-CD1 4.46Å; V40-F78 HydrophobicContact CG1-CE1 4.21Å; V40-F78 HydrophobicContact CG2-CD1 3.59Å; V40-F78 HydrophobicContact CG2-CE1 3.69Å; K70-F78 WeakPolarHBondContact CA-O 3.28Å; I71-F78 PolarHBondContact N-O 2.98Å; I71-F78 PolarHBondContact O-N 3.01Å; L76-F78 HydrophobicContact CB-CE2 3.88Å; L76-F78 HydrophobicContact CB-CZ 4.33Å; L76-F78 HydrophobicContact CD1-CZ 4.24Å; F78-L530 HydrophobicContact CD2-CD1 4.16Å; F78-L530 HydrophobicContact CE2-CD1 4.26Å; F78-W533 HydrophobicContact CB-CD2 4.5Å; F78-W533 HydrophobicContact CB-CE3 3.35Å; F78-W533 HydrophobicContact CB-CZ3 3.57Å; F78-W533 HydrophobicContact CD1-CB 4.18Å; F78-W533 HydrophobicContact CD1-CE3 4.4Å; F78-W533 HydrophobicContact CG-CE3 4.05Å; F78-Y537 HydrophobicContact CE1-CG 4.16Å; F78-Y537 HydrophobicContact CZ-CD1 4.47Å; F78-Y537 HydrophobicContact CZ-CG 4.49Å
79Y92.4Very high88.5Confident15 Ų1549.9 Ų49.96%0.05924%0.242CC..EExtended strand (participates in β ladder)trans-107.7106.4174.1-59.8-88.7000109V38 L39 A41 I58 V68 T69 K70 V77 F143V38-Y79 WeakPolarHBondContact CA-O 3.46Å; L39-Y79 PolarHBondContact N-O 3.3Å; L39-Y79 PolarHBondContact O-N 3.34Å; A41-Y79 HydrophobicContact CB-CE2 4.15Å; I58-Y79 HydrophobicContact CD1-CD1 3.88Å; I58-Y79 HydrophobicContact CD1-CE1 4.22Å; I58-Y79 HydrophobicContact CD1-CG 4.04Å; I58-Y79 HydrophobicContact CG1-CD1 4.11Å; I58-Y79 HydrophobicContact CG1-CE1 3.95Å; V68-Y79 HydrophobicContact CG1-CD1 3.97Å; T69-Y79 CarbonylContact O-C 3.54Å; T69-Y79 WeakPolarHBondContact O-CA 3.47Å; K70-Y79 HydrophobicContact CB-CD1 4.33Å; K70-Y79 HydrophobicContact CB-CE1 4.36Å; K70-Y79 HydrophobicContact CD-CE1 4.19Å; K70-Y79 HydrophobicContact CG-CD1 4.32Å; K70-Y79 HydrophobicContact CG-CE1 3.99Å; V77-Y79 HydrophobicContact CB-CE2 3.98Å; V77-Y79 HydrophobicContact CG1-CD2 4.1Å; V77-Y79 HydrophobicContact CG1-CE1 4.06Å; V77-Y79 HydrophobicContact CG1-CE2 3.47Å; V77-Y79 VanDerWaalsContact CG1-CE2 3.47Å; V77-Y79 VanDerWaalsContact CG1-CZ 3.46Å; Y79-F143 HydrophobicContact CD2-CE1 4.29Å; Y79-F143 HydrophobicContact CE2-CE1 4.23Å
80G91.1Very high88.3Confident0 Ų054.6 Ų54.60%026%0.26CS..EExtended strand (participates in β ladder)trans-80.8124169.700000110V68 T69V68-G80 WeakPolarHBondContact CA-O 3.49Å; T69-G80 PolarHBondContact N-O 3.07Å; T69-G80 PolarHBondContact O-N 3.46Å; T69-G80 PolarHBondContact OG1-O 3.5Å
81I91.8Very high88.2Confident0 Ų049.1 Ų49.10%024%0.236CC..EExtended strand (participates in β ladder)trans-110.6130.2-176.2-60170.5000109.1Y35 D36 Y37 L39 L61 F66 I123Y35-I81 CarbonylContact C-O 3.58Å; Y35-I81 WeakPolarHBondContact CA-O 3.44Å; D36-I81 PolarHBondContact N-O 3.34Å; Y37-I81 PolarHBondContact N-O 3.31Å; Y37-I81 PolarHBondContact O-N 3.4Å; L39-I81 HydrophobicContact CD1-CD1 3.58Å; L39-I81 HydrophobicContact CG-CD1 3.66Å; L61-I81 HydrophobicContact CD1-CD1 3.91Å; F66-I81 HydrophobicContact CB-CG2 4.43Å; F66-I81 HydrophobicContact CD1-CG2 3.48Å; F66-I81 VanDerWaalsContact CD1-CG2 3.48Å; F66-I81 HydrophobicContact CE1-CG2 4.13Å; F66-I81 HydrophobicContact CG-CG2 4.33Å; I81-I123 HydrophobicContact CB-CD1 4.5Å; I81-I123 HydrophobicContact CD1-CD1 3.66Å; I81-I123 HydrophobicContact CD1-CG1 4.4Å; I81-I123 HydrophobicContact CG2-CD1 4.14Å
82Q90.1Very high87.9Confident52 Ų5251.3 Ų51.324%0.24324%0.243CC..EExtended strand (participates in β ladder)trans-126.9126.5174.6-174.3179.923.600109.5Y35 K67Y35-Q82 HydrophobicContact CD1-CB 4.42Å; K67-Q82 HydrophobicContact CB-CB 4.29Å; K67-Q82 PolarHBondContact N-O 3.24Å; K67-Q82 PolarHBondContact O-N 3.21Å
83A89.4Confident87.6Confident6 Ų654.4 Ų54.45%0.0525%0.25CS..  trans-85.7142.7-178.700000112.2D36 F66 F88 V119D36-A83 PolarHBondContact OD2-N 3.35Å; F66-A83 HydrophobicContact CD1-CB 3.98Å; F66-A83 HydrophobicContact CE1-CB 3.53Å; F66-A83 HydrophobicContact CZ-CB 4.21Å; A83-F88 HydrophobicContact CB-CE2 3.63Å; A83-F88 HydrophobicContact CB-CZ 3.56Å; A83-V119 HydrophobicContact CB-CG2 3.46Å; A83-V119 VanDerWaalsContact CB-CG2 3.46Å
84P89.5Confident87.6Confident23 Ų2354.7 Ų54.715%0.14925%0.254CS..  trans-70.9153.9178.635.6-40.9000111.1N65 E86 I87 F88N65-P84 HydrophobicContact CB-CB 4.39Å; N65-P84 HydrophobicContact CB-CG 4.13Å; N65-P84 WeakPolarHBondContact O-CD 3.42Å; N65-P84 WeakPolarHBondContact O-CG 3.36Å; P84-E86 VanDerWaalsContact CB-OE2 3.25Å; P84-E86 WeakPolarHBondContact CB-OE2 3.4Å; P84-E86 PolarHBondContact O-N 3.28Å; P84-I87 HydrophobicContact CG-CD1 3.67Å; P84-I87 HydrophobicContact CG-CG1 3.94Å; P84-F88 WeakPolarHBondContact O-CD2 3.49Å; P84-F88 WeakPolarHBondContact O-CE2 3.48Å
85K85.3Confident87.5Confident155 Ų15551.2 Ų51.267%0.67424%0.236SC*.Hα-helixtrans-67.6-25.8-172.2-73.9-174.9-179.7179.50112.7I87 F88 Q89K85-I87 PolarHBondContact O-N 2.92Å; K85-F88 WeakPolarHBondContact O-CB 3.45Å; K85-F88 PolarHBondContact O-N 3.3Å; K85-Q89 PolarHBondContact O-N 3.37Å
86E86.8Confident87Confident108 Ų10851.8 Ų51.851%0.50523%0.232SC..Hα-helixtrans-66.1-37-175.3-61.771.7-157.400111.7P84 F88 Q89 K90P84-E86 VanDerWaalsContact CB-OE2 3.25Å; P84-E86 WeakPolarHBondContact CB-OE2 3.4Å; P84-E86 PolarHBondContact O-N 3.28Å; E86-F88 VanDerWaalsContact C-N 3.26Å; E86-F88 PolarHBondContact O-N 3.04Å; E86-Q89 PolarHBondContact O-N 2.99Å; E86-K90 WeakPolarHBondContact O-CG 3.35Å; E86-K90 PolarHBondContact O-N 3.36Å
87I88.1Confident86.2Confident21 Ų2155.7 Ų55.711%0.10825%0.252CS..Hα-helixtrans-59.6-41.9177.3-69.9178000110.5F66 P84 K85 K90 Y91 I118 I122 V310F66-I87 HydrophobicContact CD2-CD1 4.49Å; F66-I87 HydrophobicContact CE2-CD1 3.61Å; F66-I87 HydrophobicContact CZ-CD1 3.72Å; P84-I87 HydrophobicContact CG-CD1 3.67Å; P84-I87 HydrophobicContact CG-CG1 3.94Å; K85-I87 PolarHBondContact O-N 2.92Å; I87-K90 PolarHBondContact O-N 3.26Å; I87-Y91 PolarHBondContact O-N 3.32Å; I87-I118 HydrophobicContact CG2-CG2 3.83Å; I87-I122 HydrophobicContact CD1-CD1 4.14Å; I87-I122 HydrophobicContact CG2-CD1 3.57Å; I87-V310 HydrophobicContact CG2-CG1 3.75Å
88F87.1Confident85Confident7 Ų758.4 Ų58.43%0.03127%0.272CS..Hα-helixtrans-69-38.3-179.5-63-61.8000112.2A83 P84 K85 E86 R92 I110 R115 I118 V119A83-F88 HydrophobicContact CB-CE2 3.63Å; A83-F88 HydrophobicContact CB-CZ 3.56Å; P84-F88 WeakPolarHBondContact O-CD2 3.49Å; P84-F88 WeakPolarHBondContact O-CE2 3.48Å; K85-F88 WeakPolarHBondContact O-CB 3.45Å; K85-F88 PolarHBondContact O-N 3.3Å; E86-F88 VanDerWaalsContact C-N 3.26Å; E86-F88 PolarHBondContact O-N 3.04Å; F88-R92 WeakPolarHBondContact O-CB 3.37Å; F88-R92 PolarHBondContact O-N 2.67Å; F88-R92 VanDerWaalsContact O-N 3.08Å; F88-I110 HydrophobicContact CB-CD1 3.62Å; F88-I110 HydrophobicContact CB-CG1 4.49Å; F88-I110 HydrophobicContact CD1-CD1 4.41Å; F88-I110 HydrophobicContact CG-CD1 4.4Å; F88-I110 WeakPolarHBondContact O-CD1 3.3Å; F88-R115 HydrophobicContact CD1-CG 4.16Å; F88-R115 VanDerWaalsContact CD2-NH1 3.27Å; F88-R115 HydrophobicContact CE1-CB 3.84Å; F88-R115 HydrophobicContact CE1-CG 3.82Å; F88-R115 VanDerWaalsContact CE2-NH2 3.26Å; F88-R115 HydrophobicContact CZ-CB 4.11Å; F88-R115 HydrophobicContact CZ-CG 4.11Å; F88-R115 VanDerWaalsContact CZ-CZ 3.48Å; F88-I118 HydrophobicContact CD1-CD1 3.75Å; F88-I118 HydrophobicContact CE1-CB 4.24Å; F88-I118 HydrophobicContact CE1-CD1 4.12Å; F88-I118 HydrophobicContact CE1-CG2 4.35Å; F88-V119 HydrophobicContact CE1-CG2 4.35Å; F88-V119 HydrophobicContact CZ-CG2 3.95Å
89Q86.3Confident83.6Confident131 Ų13159.6 Ų59.661%0.61228%0.278SS*.Hα-helixtrans-66.1-44.5174.7-68.8173-14.500111.5K85 E86 R92 Y93K85-Q89 PolarHBondContact O-N 3.37Å; E86-Q89 PolarHBondContact O-N 2.99Å; Q89-R92 PolarHBondContact O-N 3.36Å; Q89-Y93 WeakPolarHBondContact O-CB 3.43Å; Q89-Y93 PolarHBondContact O-N 3.13Å
90K86.1Confident81.3Confident132 Ų13263.2 Ų63.257%0.57431%0.311SS*.Hα-helixtrans-59-50.3175.8-74.1-177.9-180-174.50112E86 I87 R92 Y93 L94 V310E86-K90 WeakPolarHBondContact O-CG 3.35Å; E86-K90 PolarHBondContact O-N 3.36Å; I87-K90 PolarHBondContact O-N 3.26Å; K90-R92 VanDerWaalsContact C-N 3.31Å; K90-R92 PolarHBondContact O-N 3.07Å; K90-Y93 PolarHBondContact O-N 3.21Å; K90-L94 WeakPolarHBondContact O-CG 3.27Å; K90-L94 PolarHBondContact O-N 3.32Å; K90-V310 HydrophobicContact CB-CG2 4.49Å
91Y87.4Confident79Confident4 Ų465.9 Ų65.92%0.01633%0.329CS..Hα-helixtrans-56.1-47177.1171.9-93.9000111.4I87 Y93 L94 L95 T114 R117 I118 E303 I306 L307I87-Y91 PolarHBondContact O-N 3.32Å; Y91-Y93 VanDerWaalsContact C-N 3.35Å; Y91-Y93 PolarHBondContact O-N 3.25Å; Y91-L94 PolarHBondContact O-N 3.46Å; Y91-L95 HydrophobicContact CE1-CD2 4.25Å; Y91-L95 WeakPolarHBondContact O-CB 3.23Å; Y91-L95 PolarHBondContact O-N 3.06Å; Y91-T114 HydrophobicContact CE1-CG2 4.2Å; Y91-R117 PolarHBondContact OH-NH2 3.43Å; Y91-I118 HydrophobicContact CD1-CD1 3.58Å; Y91-I118 HydrophobicContact CD1-CG1 4.35Å; Y91-I118 HydrophobicContact CD2-CD1 4.27Å; Y91-I118 HydrophobicContact CD2-CG1 4.24Å; Y91-I118 HydrophobicContact CE1-CD1 3.99Å; Y91-I118 HydrophobicContact CE2-CG1 4.4Å; Y91-I118 HydrophobicContact CG-CD1 3.73Å; Y91-I118 HydrophobicContact CG-CG1 4.2Å; Y91-E303 PolarHBondContact OH-OE1 2.95Å; Y91-I306 HydrophobicContact CD2-CG2 3.71Å; Y91-I306 HydrophobicContact CE2-CG2 4.02Å; Y91-L307 HydrophobicContact CD2-CD2 3.73Å; Y91-L307 HydrophobicContact CD2-CG 4.39Å; Y91-L307 HydrophobicContact CE2-CD2 3.74Å; Y91-L307 HydrophobicContact CE2-CG 4.1Å
92R82.8Confident76.9Confident63 Ų6367.1 Ų67.124%0.23834%0.338CS..Hα-helixtrans-62.7-42179.6-177.3179.9178.5151.40.1112.4F88 Q89 K90 L95 K96 T104 S105 D107F88-R92 WeakPolarHBondContact O-CB 3.37Å; F88-R92 PolarHBondContact O-N 2.67Å; F88-R92 VanDerWaalsContact O-N 3.08Å; Q89-R92 PolarHBondContact O-N 3.36Å; K90-R92 VanDerWaalsContact C-N 3.31Å; K90-R92 PolarHBondContact O-N 3.07Å; R92-L95 PolarHBondContact O-N 3.46Å; R92-K96 WeakPolarHBondContact O-CB 3.37Å; R92-K96 PolarHBondContact O-N 3.41Å; R92-T104 PolarHBondContact NH2-O 2.75Å; R92-S105 PolarHBondContact NH2-O 3.27Å; R92-D107 PolarHBondContact NH1-O 3.21Å
93Y82.6Confident74.8Confident154 Ų15466.1 Ų66.160%0.60434%0.341SS*.Hα-helixtrans-62.7-48.2178.6178.5-104.6000111.5Q89 K90 Y91 L95 K96 I97Q89-Y93 WeakPolarHBondContact O-CB 3.43Å; Q89-Y93 PolarHBondContact O-N 3.13Å; K90-Y93 PolarHBondContact O-N 3.21Å; Y91-Y93 VanDerWaalsContact C-N 3.35Å; Y91-Y93 PolarHBondContact O-N 3.25Å; Y93-L95 VanDerWaalsContact C-N 3.34Å; Y93-L95 PolarHBondContact O-N 3.04Å; Y93-K96 WeakPolarHBondContact O-CB 3.45Å; Y93-K96 PolarHBondContact O-N 3.23Å; Y93-I97 HydrophobicContact CD1-CD1 3.75Å; Y93-I97 HydrophobicContact CD2-CD1 4.46Å; Y93-I97 HydrophobicContact CE1-CD1 3.23Å; Y93-I97 HydrophobicContact CE1-CG1 4.49Å; Y93-I97 HydrophobicContact CE2-CD1 4.02Å; Y93-I97 HydrophobicContact CG-CD1 4.35Å; Y93-I97 WeakPolarHBondContact O-CG1 3.37Å; Y93-I97 PolarHBondContact O-N 2.89Å; Y93-I97 VanDerWaalsContact O-N 3.1Å
94L83.2Confident72.7Confident43 Ų4368.8 Ų68.823%0.22536%0.357CS..Hα-helixtrans-64-39.3177.6-69.2170.9000112.2K90 Y91 I97 S98 I306 L309 V310K90-L94 WeakPolarHBondContact O-CG 3.27Å; K90-L94 PolarHBondContact O-N 3.32Å; Y91-L94 PolarHBondContact O-N 3.46Å; L94-I97 PolarHBondContact O-N 3.38Å; L94-S98 WeakPolarHBondContact O-CB 3.25Å; L94-S98 PolarHBondContact O-N 3.21Å; L94-I306 HydrophobicContact CB-CG2 3.82Å; L94-I306 HydrophobicContact CD1-CG2 4.26Å; L94-L309 HydrophobicContact CD1-CD2 3.87Å; L94-L309 HydrophobicContact CD1-CG 4.26Å; L94-L309 HydrophobicContact CD2-CD2 3.95Å; L94-V310 HydrophobicContact CD1-CG2 3.72Å
95L79.3Confident70.6Confident20 Ų2070.7 Ų70.711%0.10537%0.37CS..Hα-helixtrans-61.8-44.6174-166.777.2000111Y91 R92 Y93 I97 S98 D99 W298 I306Y91-L95 HydrophobicContact CE1-CD2 4.25Å; Y91-L95 WeakPolarHBondContact O-CB 3.23Å; Y91-L95 PolarHBondContact O-N 3.06Å; R92-L95 PolarHBondContact O-N 3.46Å; Y93-L95 VanDerWaalsContact C-N 3.34Å; Y93-L95 PolarHBondContact O-N 3.04Å; L95-I97 VanDerWaalsContact C-N 3.27Å; L95-I97 PolarHBondContact O-N 3.35Å; L95-S98 PolarHBondContact O-N 2.91Å; L95-D99 WeakPolarHBondContact O-CA 3.2Å; L95-D99 WeakPolarHBondContact O-CB 3.38Å; L95-D99 PolarHBondContact O-N 3.17Å; L95-W298 HydrophobicContact CD1-CH2 3.66Å; L95-W298 HydrophobicContact CD1-CZ3 3.86Å; L95-W298 HydrophobicContact CD2-CH2 4.07Å; L95-W298 HydrophobicContact CD2-CZ3 4.05Å; L95-W298 HydrophobicContact CG-CZ3 4.47Å; L95-I306 HydrophobicContact CD1-CD1 3.82Å
96K74.5Confident68.6Low133 Ų13370.3 Ų70.358%0.57838%0.381SS*.Hα-helixtrans-60-36.1177.2-174.3-176.9176.5-172.70112.6R92 Y93R92-K96 WeakPolarHBondContact O-CB 3.37Å; R92-K96 PolarHBondContact O-N 3.41Å; Y93-K96 WeakPolarHBondContact O-CB 3.45Å; Y93-K96 PolarHBondContact O-N 3.23Å
97I72.7Confident66.7Low100 Ų10070.2 Ų70.251%0.51338%0.384SS..Hα-helixtrans-75.2-48.2179.1-68.5166.8000111.4Y93 L94 L95 D99Y93-I97 HydrophobicContact CD1-CD1 3.75Å; Y93-I97 HydrophobicContact CD2-CD1 4.46Å; Y93-I97 HydrophobicContact CE1-CD1 3.23Å; Y93-I97 HydrophobicContact CE1-CG1 4.49Å; Y93-I97 HydrophobicContact CE2-CD1 4.02Å; Y93-I97 HydrophobicContact CG-CD1 4.35Å; Y93-I97 WeakPolarHBondContact O-CG1 3.37Å; Y93-I97 PolarHBondContact O-N 2.89Å; Y93-I97 VanDerWaalsContact O-N 3.1Å; L94-I97 PolarHBondContact O-N 3.38Å; L95-I97 VanDerWaalsContact C-N 3.27Å; L95-I97 PolarHBondContact O-N 3.35Å; I97-D99 PolarHBondContact O-N 2.89Å
98S67.8Low65Low60 Ų6074.2 Ų74.242%0.4241%0.414SS..Hα-helixtrans-61.6-39.5179.4-168.90000110.7L94 L95 A100L94-S98 WeakPolarHBondContact O-CB 3.25Å; L94-S98 PolarHBondContact O-N 3.21Å; L95-S98 PolarHBondContact O-N 2.91Å; S98-A100 PolarHBondContact O-N 2.98Å
99D61.3Low63.7Low24 Ų2478.7 Ų78.713%0.12844%0.439CS..  trans-102.769.4-173.2-147.8-8.5000108.8L95 I97 C101 S102L95-D99 WeakPolarHBondContact O-CA 3.2Å; L95-D99 WeakPolarHBondContact O-CB 3.38Å; L95-D99 PolarHBondContact O-N 3.17Å; I97-D99 PolarHBondContact O-N 2.89Å; D99-C101 PolarHBondContact O-N 3.32Å; D99-S102 PolarHBondContact O-N 3Å; D99-S102 WeakPolarHBondContact OD2-CB 3.49Å
100A45.1Very low63Low92 Ų9274.6 Ų74.676%0.7642%0.42SS*.THydrogen-bonded Turntrans-54.5-7174.600000113.2S98S98-A100 PolarHBondContact O-N 2.98Å
101C43.2Very low62.7Low56 Ų5670.9 Ų70.938%0.37841%0.411SS..THydrogen-bonded Turntrans-131.739.1178.1-71.60000113.1D99 R755D99-C101 PolarHBondContact O-N 3.32Å; C101-R755 PolarHBondContact O-NH1 3.35Å
102S46.1Very low62.3Low26 Ų2671.8 Ų71.818%0.18242%0.416CS..  trans-135.4111.3161.5-172.80000113.9D99 T104 R755D99-S102 PolarHBondContact O-N 3Å; D99-S102 WeakPolarHBondContact OD2-CB 3.49Å; S102-T104 PolarHBondContact O-N 3.31Å; S102-T104 VanDerWaalsContact O-N 3.12Å; S102-R755 VanDerWaalsContact CA-NH1 3.32Å
103G46.9Very low62.4Low30 Ų3069.1 Ų69.131%0.30941%0.407SS..  trans-73.598.1174.900000111.3S105 R755G103-S105 PolarHBondContact O-N 3.25Å; G103-R755 VanDerWaalsContact N-CZ 3.29Å
104T45.7Very low62.4Low62 Ų6262.3 Ų62.338%0.3838%0.381SS..  trans-81.2104.1153.549.60000108.1R92 S102R92-T104 PolarHBondContact NH2-O 2.75Å; S102-T104 PolarHBondContact O-N 3.31Å; S102-T104 VanDerWaalsContact O-N 3.12Å
105S44.6Very low62.7Low63 Ų6362 Ų6244%0.44138%0.377SS..  trans-45.7148171.347.50000111.1R92 G103 D107R92-S105 PolarHBondContact NH2-O 3.27Å; G103-S105 PolarHBondContact O-N 3.25Å; S105-D107 PolarHBondContact O-N 2.86Å
106T43.7Very low63.2Low147 Ų14761 Ų6190%0.90237%0.372SS*.SBendtrans-51.68.8176.9440000116.7S108T106-S108 PolarHBondContact O-N 3.28Å
107D46.9Very low63.9Low106 Ų10655.5 Ų55.557%0.56735%0.348SS*.  trans-67.1120.3172.9-75.7-37.4000110.4R92 S105 N109R92-D107 PolarHBondContact NH1-O 3.21Å; S105-D107 PolarHBondContact O-N 2.86Å; D107-N109 PolarHBondContact O-N 3.32Å; D107-N109 VanDerWaalsContact O-N 3.07Å
108S50.8Low64.7Low105 Ų10550.8 Ų50.873%0.73432%0.323SS*.  trans-65.6-9.1-17557.80000114.9T106T106-S108 PolarHBondContact O-N 3.28Å
109N61.3Low65.8Low102 Ų10247.9 Ų47.955%0.54530%0.303SS..  trans-114.9125-165.8-71-8.6000113.2V29 D107V29-N109 HydrophobicContact CG1-CB 3.74Å; V29-N109 VanDerWaalsContact CG1-ND2 3.27Å; V29-N109 WeakPolarHBondContact CG1-ND2 3.47Å; D107-N109 PolarHBondContact O-N 3.32Å; D107-N109 VanDerWaalsContact O-N 3.07Å
110I71.6Confident67.3Low44 Ų4448.3 Ų48.323%0.22631%0.305CS..  trans-81.6139.2176.6-59-159.4000110.6F88 T114 R115F88-I110 HydrophobicContact CB-CD1 3.62Å; F88-I110 HydrophobicContact CB-CG1 4.49Å; F88-I110 HydrophobicContact CD1-CD1 4.41Å; F88-I110 HydrophobicContact CG-CD1 4.4Å; F88-I110 WeakPolarHBondContact O-CD1 3.3Å; I110-T114 HydrophobicContact CG2-CG2 3.49Å; I110-T114 VanDerWaalsContact CG2-CG2 3.49Å; I110-R115 HydrophobicContact CB-CG 4.34Å; I110-R115 HydrophobicContact CG2-CG 4.04Å
111S78.4Confident69.4Low54 Ų5444.9 Ų44.938%0.37827%0.273SS..  trans-58.9146.3175.2760000112.1S113 T114 R115S111-S113 PolarHBondContact O-N 3.41Å; S111-S113 PolarHBondContact OG-OG 3.43Å; S111-T114 PolarHBondContact O-N 2.93Å; S111-T114 VanDerWaalsContact O-N 3.14Å; S111-T114 WeakPolarHBondContact OG-CB 3.49Å; S111-T114 PolarHBondContact OG-N 3.01Å; S111-T114 PolarHBondContact OG-OG1 2.99Å; S111-R115 PolarHBondContact O-N 2.88Å
112L80.2Confident71.7Confident23 Ų2342.4 Ų42.412%0.1226%0.255CS..Hα-helixtrans-58.3-38.7178.8177.563.6000112.4L33 T114 R115 I116 E151L33-L112 HydrophobicContact CB-CD1 4.49Å; L33-L112 HydrophobicContact CD1-CD1 3.44Å; L33-L112 VanDerWaalsContact CD1-CD1 3.44Å; L33-L112 HydrophobicContact CD1-CD2 3.46Å; L33-L112 VanDerWaalsContact CD1-CD2 3.46Å; L33-L112 HydrophobicContact CD1-CG 4.01Å; L112-T114 VanDerWaalsContact C-N 3.33Å; L112-T114 PolarHBondContact O-N 3.47Å; L112-R115 WeakPolarHBondContact O-CB 3.39Å; L112-R115 PolarHBondContact O-N 2.89Å; L112-I116 HydrophobicContact CD1-CD1 4.08Å; L112-I116 HydrophobicContact CD1-CG1 4.21Å; L112-I116 HydrophobicContact CD2-CD1 4.47Å; L112-I116 HydrophobicContact CG-CD1 3.91Å; L112-I116 HydrophobicContact CG-CG1 4.45Å; L112-I116 WeakPolarHBondContact O-CG1 3.39Å; L112-I116 PolarHBondContact O-N 2.71Å; L112-E151 WeakPolarHBondContact CD2-OE2 3.39Å
113S83.7Confident73.8Confident7 Ų741.1 Ų41.15%0.04925%0.247CC..Hα-helixtrans-59.6-44.4177.352.20000111.9S111 R117S111-S113 PolarHBondContact O-N 3.41Å; S111-S113 PolarHBondContact OG-OG 3.43Å; S113-R117 WeakPolarHBondContact O-CB 3.45Å; S113-R117 PolarHBondContact O-N 3.34Å; S113-R117 VanDerWaalsContact O-N 3.14Å
114T84.4Confident75.9Confident11 Ų1140 Ų407%0.06723%0.233CC..Hα-helixtrans-64.7-40.8176-58.60000111.3Y91 I110 S111 L112 R117 I118Y91-T114 HydrophobicContact CE1-CG2 4.2Å; I110-T114 HydrophobicContact CG2-CG2 3.49Å; I110-T114 VanDerWaalsContact CG2-CG2 3.49Å; S111-T114 PolarHBondContact O-N 2.93Å; S111-T114 VanDerWaalsContact O-N 3.14Å; S111-T114 WeakPolarHBondContact OG-CB 3.49Å; S111-T114 PolarHBondContact OG-N 3.01Å; S111-T114 PolarHBondContact OG-OG1 2.99Å; L112-T114 VanDerWaalsContact C-N 3.33Å; L112-T114 PolarHBondContact O-N 3.47Å; T114-R117 PolarHBondContact O-N 3.01Å; T114-I118 HydrophobicContact CG2-CD1 3.84Å; T114-I118 WeakPolarHBondContact O-CD1 3.26Å; T114-I118 VanDerWaalsContact O-CG1 3.32Å; T114-I118 WeakPolarHBondContact O-CG1 2.95Å; T114-I118 PolarHBondContact O-N 2.86Å; T114-I118 VanDerWaalsContact O-N 3.12Å
115R88.1Confident77.9Confident36 Ų3639.7 Ų39.714%0.13623%0.227CC..Hα-helixtrans-59.5-52.5177-69.3179.660.782.17.5112D36 F88 I110 S111 L112 R117 I118 V119D36-R115 IonicContact OD1-CZ 3.4Å; D36-R115 IonicContact OD1-NE 3.02Å; D36-R115 PolarHBondContact OD1-NE 3.36Å; D36-R115 VanDerWaalsContact OD1-NE 3.1Å; D36-R115 IonicContact OD1-NH2 3.72Å; D36-R115 PolarHBondContact OD1-NH2 2.84Å; D36-R115 IonicContact OD2-NH2 3.75Å; D36-R115 PolarHBondContact OD2-NH2 3.14Å; F88-R115 HydrophobicContact CD1-CG 4.16Å; F88-R115 VanDerWaalsContact CD2-NH1 3.27Å; F88-R115 HydrophobicContact CE1-CB 3.84Å; F88-R115 HydrophobicContact CE1-CG 3.82Å; F88-R115 VanDerWaalsContact CE2-NH2 3.26Å; F88-R115 HydrophobicContact CZ-CB 4.11Å; F88-R115 HydrophobicContact CZ-CG 4.11Å; F88-R115 VanDerWaalsContact CZ-CZ 3.48Å; I110-R115 HydrophobicContact CB-CG 4.34Å; I110-R115 HydrophobicContact CG2-CG 4.04Å; S111-R115 PolarHBondContact O-N 2.88Å; L112-R115 WeakPolarHBondContact O-CB 3.39Å; L112-R115 PolarHBondContact O-N 2.89Å; R115-R117 VanDerWaalsContact C-N 3.26Å; R115-R117 PolarHBondContact O-N 3.23Å; R115-I118 PolarHBondContact O-N 3.21Å; R115-V119 WeakPolarHBondContact O-CG2 3.37Å; R115-V119 PolarHBondContact O-N 2.99Å
116I89.8Confident79.9Confident1 Ų136.8 Ų36.81%0.00521%0.207CC..Hα-helixtrans-57.6-42.4-179.2-71.1170.1000110.8L112 V119 H120 C148L112-I116 HydrophobicContact CD1-CD1 4.08Å; L112-I116 HydrophobicContact CD1-CG1 4.21Å; L112-I116 HydrophobicContact CD2-CD1 4.47Å; L112-I116 HydrophobicContact CG-CD1 3.91Å; L112-I116 HydrophobicContact CG-CG1 4.45Å; L112-I116 WeakPolarHBondContact O-CG1 3.39Å; L112-I116 PolarHBondContact O-N 2.71Å; I116-V119 PolarHBondContact O-N 3.41Å; I116-H120 VanDerWaalsContact O-CB 3.26Å; I116-H120 WeakPolarHBondContact O-CB 3.22Å; I116-H120 PolarHBondContact O-N 3.41Å; I116-C148 HydrophobicContact CG2-CB 4.08Å; I116-C148 WeakPolarHBondContact CG2-SG 3.43Å
117R89.3Confident82Confident17 Ų1734.5 Ų34.56%0.06419%0.186CC..Hα-helixtrans-62.9-47.2179.8178.9178.857.91528.5113Y91 S113 T114 R115 V119 H120 F121 E303 P599Y91-R117 PolarHBondContact OH-NH2 3.43Å; S113-R117 WeakPolarHBondContact O-CB 3.45Å; S113-R117 PolarHBondContact O-N 3.34Å; S113-R117 VanDerWaalsContact O-N 3.14Å; T114-R117 PolarHBondContact O-N 3.01Å; R115-R117 VanDerWaalsContact C-N 3.26Å; R115-R117 PolarHBondContact O-N 3.23Å; R117-V119 VanDerWaalsContact C-N 3.35Å; R117-H120 PolarHBondContact O-N 2.93Å; R117-F121 PolarHBondContact O-N 3.41Å; R117-E303 IonicContact CZ-OE1 3.97Å; R117-E303 IonicContact CZ-OE2 2.61Å; R117-E303 IonicContact NE-OE1 3.1Å; R117-E303 PolarHBondContact NE-OE1 3.24Å; R117-E303 IonicContact NH1-OE1 3.5Å; R117-E303 PolarHBondContact NH1-OE1 3.02Å; R117-E303 IonicContact NH1-OE2 3.6Å; R117-E303 PolarHBondContact NH1-OE2 3.17Å; R117-E303 IonicContact NH2-OE1 3.15Å; R117-E303 PolarHBondContact NH2-OE1 3.16Å; R117-P599 WeakPolarHBondContact CB-O 3.32Å; R117-P599 WeakPolarHBondContact CD-O 3.34Å; R117-P599 WeakPolarHBondContact CG-O 2.97Å
118I89.6Confident83.9Confident0 Ų029.8 Ų29.80%016%0.161CC..Hα-helixtrans-61.1-47.6177.6-65.6161.8000109.8I87 F88 Y91 T114 R115 H120 F121 I122 L307I87-I118 HydrophobicContact CG2-CG2 3.83Å; F88-I118 HydrophobicContact CD1-CD1 3.75Å; F88-I118 HydrophobicContact CE1-CB 4.24Å; F88-I118 HydrophobicContact CE1-CD1 4.12Å; F88-I118 HydrophobicContact CE1-CG2 4.35Å; Y91-I118 HydrophobicContact CD1-CD1 3.58Å; Y91-I118 HydrophobicContact CD1-CG1 4.35Å; Y91-I118 HydrophobicContact CD2-CD1 4.27Å; Y91-I118 HydrophobicContact CD2-CG1 4.24Å; Y91-I118 HydrophobicContact CE1-CD1 3.99Å; Y91-I118 HydrophobicContact CE2-CG1 4.4Å; Y91-I118 HydrophobicContact CG-CD1 3.73Å; Y91-I118 HydrophobicContact CG-CG1 4.2Å; T114-I118 HydrophobicContact CG2-CD1 3.84Å; T114-I118 WeakPolarHBondContact O-CD1 3.26Å; T114-I118 VanDerWaalsContact O-CG1 3.32Å; T114-I118 WeakPolarHBondContact O-CG1 2.95Å; T114-I118 PolarHBondContact O-N 2.86Å; T114-I118 VanDerWaalsContact O-N 3.12Å; R115-I118 PolarHBondContact O-N 3.21Å; I118-H120 PolarHBondContact O-N 3.48Å; I118-F121 PolarHBondContact O-N 2.89Å; I118-I122 HydrophobicContact CG2-CD1 3.85Å; I118-I122 WeakPolarHBondContact O-CG1 3.4Å; I118-I122 PolarHBondContact O-N 3.27Å; I118-L307 HydrophobicContact CB-CD2 4.28Å; I118-L307 HydrophobicContact CG1-CD2 3.95Å; I118-L307 HydrophobicContact CG2-CD2 4.17Å
119V91.6Very high85.4Confident0 Ų029.1 Ų29.10%016%0.156CC..Hα-helixtrans-62.6-42.6179.4173.60000111.5D36 F66 A83 F88 R115 I116 R117 F121 I122 I123D36-V119 HydrophobicContact CB-CB 4.23Å; D36-V119 HydrophobicContact CB-CG1 4.06Å; D36-V119 HydrophobicContact CB-CG2 3.92Å; F66-V119 HydrophobicContact CE1-CG1 4.28Å; F66-V119 HydrophobicContact CE1-CG2 4.46Å; A83-V119 HydrophobicContact CB-CG2 3.46Å; A83-V119 VanDerWaalsContact CB-CG2 3.46Å; F88-V119 HydrophobicContact CE1-CG2 4.35Å; F88-V119 HydrophobicContact CZ-CG2 3.95Å; R115-V119 WeakPolarHBondContact O-CG2 3.37Å; R115-V119 PolarHBondContact O-N 2.99Å; I116-V119 PolarHBondContact O-N 3.41Å; R117-V119 VanDerWaalsContact C-N 3.35Å; V119-F121 VanDerWaalsContact C-N 3.31Å; V119-F121 PolarHBondContact O-N 2.83Å; V119-I122 PolarHBondContact O-N 2.99Å; V119-I123 HydrophobicContact CG1-CD1 3.45Å; V119-I123 VanDerWaalsContact CG1-CD1 3.45Å; V119-I123 HydrophobicContact CG1-CG1 4.14Å; V119-I123 VanDerWaalsContact O-CB 3.32Å; V119-I123 WeakPolarHBondContact O-CB 3.32Å; V119-I123 VanDerWaalsContact O-CG1 3.26Å; V119-I123 WeakPolarHBondContact O-CG1 3.33Å; V119-I123 PolarHBondContact O-N 3.46Å
120H91.6Very high86.5Confident33 Ų3327.9 Ų27.915%0.15315%0.152CC..Hα-helixtrans-58.6-43.4176-178.799.9000112Y37 I116 R117 I118 N124 R146 V598Y37-H120 HydrophobicContact CE2-CB 4.19Å; Y37-H120 AromaticContact CE2-ND1 3.66Å; Y37-H120 AromaticContact CZ-ND1 3.6Å; Y37-H120 PolarHBondContact OH-CE1 2.99Å; Y37-H120 PolarHBondContact OH-ND1 3.14Å; I116-H120 VanDerWaalsContact O-CB 3.26Å; I116-H120 WeakPolarHBondContact O-CB 3.22Å; I116-H120 PolarHBondContact O-N 3.41Å; R117-H120 PolarHBondContact O-N 2.93Å; I118-H120 PolarHBondContact O-N 3.48Å; H120-N124 VanDerWaalsContact O-CB 3.28Å; H120-N124 WeakPolarHBondContact O-CB 3.43Å; H120-N124 PolarHBondContact O-N 3.29Å; H120-R146 PolarHBondContact CE1-NH1 3.22Å; H120-R146 PolarHBondContact CE1-NH2 3.01Å; H120-R146 VanDerWaalsContact CE1-NH2 3.28Å; H120-R146 PolarHBondContact ND1-NH1 3.28Å; H120-R146 PolarHBondContact NE2-NH1 3.1Å; H120-V598 HydrophobicContact CB-CG1 3.8Å; H120-V598 WeakPolarHBondContact CE1-CG2 3.37Å; H120-V598 WeakPolarHBondContact ND1-CG2 3.25Å
121F90.2Very high87.1Confident20 Ų2033.6 Ų33.69%0.08818%0.176CC..Hα-helixtrans-62.5-50.5178.5-175.8-83.3000111.1R117 I118 V119 N124 H125 L307 E308R117-F121 PolarHBondContact O-N 3.41Å; I118-F121 PolarHBondContact O-N 2.89Å; V119-F121 VanDerWaalsContact C-N 3.31Å; V119-F121 PolarHBondContact O-N 2.83Å; F121-N124 PolarHBondContact O-N 3.32Å; F121-H125 AromaticContact CD1-ND1 3.67Å; F121-H125 AromaticContact CD2-CE1 3.58Å; F121-H125 AromaticContact CD2-ND1 3.7Å; F121-H125 HydrophobicContact CE1-CB 4.33Å; F121-H125 AromaticContact CE1-CG 3.95Å; F121-H125 AromaticContact CE1-ND1 3.57Å; F121-H125 AromaticContact CE2-CE1 3.25Å; F121-H125 WeakPolarHBondContact CE2-CE1 3.24Å; F121-H125 AromaticContact CE2-ND1 3.6Å; F121-H125 AromaticContact CG-ND1 3.74Å; F121-H125 AromaticContact CZ-CE1 3.5Å; F121-H125 AromaticContact CZ-CG 3.99Å; F121-H125 AromaticContact CZ-ND1 3.52Å; F121-H125 PolarHBondContact O-N 3.36Å; F121-H125 VanDerWaalsContact O-N 3.08Å; F121-H125 PolarHBondContact O-ND1 3.32Å; F121-L307 HydrophobicContact CB-CB 4.48Å; F121-L307 HydrophobicContact CB-CD1 4.02Å; F121-L307 HydrophobicContact CB-CD2 4.47Å; F121-L307 HydrophobicContact CD1-CB 3.5Å; F121-L307 VanDerWaalsContact CD1-CB 3.5Å; F121-L307 HydrophobicContact CD1-CD1 4.48Å; F121-L307 HydrophobicContact CD1-CG 4.43Å; F121-L307 HydrophobicContact CD2-CB 3.99Å; F121-L307 HydrophobicContact CD2-CD1 3.78Å; F121-L307 VanDerWaalsContact CE1-C 3.43Å; F121-L307 HydrophobicContact CE1-CB 3.56Å; F121-L307 WeakPolarHBondContact CE1-O 3.48Å; F121-L307 HydrophobicContact CE2-CB 4.04Å; F121-L307 HydrophobicContact CE2-CD1 4.38Å; F121-L307 HydrophobicContact CG-CB 3.72Å; F121-L307 HydrophobicContact CG-CD1 3.83Å; F121-L307 HydrophobicContact CG-CG 4.26Å; F121-L307 HydrophobicContact CZ-CB 3.85Å; F121-E308 HydrophobicContact CE1-CG 4.24Å; F121-E308 HydrophobicContact CZ-CG 3.72Å
122I91Very high87.5Confident3 Ų333.4 Ų33.42%0.01517%0.169CC..Hα-helixtrans-60.5-50.7-178.5-66.3169000110.1F66 I87 I118 V119 N124 H125 T126 V310 N311F66-I122 HydrophobicContact CE2-CG2 3.89Å; F66-I122 HydrophobicContact CZ-CB 4.32Å; F66-I122 HydrophobicContact CZ-CD1 4.24Å; F66-I122 HydrophobicContact CZ-CG2 3.72Å; I87-I122 HydrophobicContact CD1-CD1 4.14Å; I87-I122 HydrophobicContact CG2-CD1 3.57Å; I118-I122 HydrophobicContact CG2-CD1 3.85Å; I118-I122 WeakPolarHBondContact O-CG1 3.4Å; I118-I122 PolarHBondContact O-N 3.27Å; V119-I122 PolarHBondContact O-N 2.99Å; I122-N124 PolarHBondContact O-N 2.96Å; I122-H125 CarbonylContact O-C 3.54Å; I122-H125 PolarHBondContact O-N 2.79Å; I122-H125 VanDerWaalsContact O-N 3.1Å; I122-T126 HydrophobicContact CG2-CG2 3.98Å; I122-T126 VanDerWaalsContact O-CG2 3.24Å; I122-T126 WeakPolarHBondContact O-CG2 3.46Å; I122-T126 PolarHBondContact O-N 2.72Å; I122-T126 PolarHBondContact O-OG1 3.45Å; I122-V310 HydrophobicContact CD1-CG1 4.45Å; I122-N311 HydrophobicContact CG1-CB 4.36Å
123I91.2Very high87.9Confident0 Ų033.9 Ų33.90%017%0.172CC..Hα-helixtrans-57-38.3178.3-72.9175.5000111.5Y37 L39 Y57 L61 I81 V119 T126 L134Y37-I123 HydrophobicContact CD1-CD1 3.48Å; Y37-I123 VanDerWaalsContact CD1-CD1 3.48Å; Y37-I123 HydrophobicContact CD1-CG2 4.32Å; Y37-I123 HydrophobicContact CE1-CD1 4.23Å; Y37-I123 HydrophobicContact CE1-CG2 4.18Å; Y37-I123 HydrophobicContact CG-CD1 3.67Å; L39-I123 HydrophobicContact CD2-CG2 4.48Å; Y57-I123 WeakPolarHBondContact OH-CG2 3.47Å; Y57-I123 PolarHBondContact OH-O 3.41Å; L61-I123 HydrophobicContact CD2-CG1 4.47Å; I81-I123 HydrophobicContact CB-CD1 4.5Å; I81-I123 HydrophobicContact CD1-CD1 3.66Å; I81-I123 HydrophobicContact CD1-CG1 4.4Å; I81-I123 HydrophobicContact CG2-CD1 4.14Å; V119-I123 HydrophobicContact CG1-CD1 3.45Å; V119-I123 VanDerWaalsContact CG1-CD1 3.45Å; V119-I123 HydrophobicContact CG1-CG1 4.14Å; V119-I123 VanDerWaalsContact O-CB 3.32Å; V119-I123 WeakPolarHBondContact O-CB 3.32Å; V119-I123 VanDerWaalsContact O-CG1 3.26Å; V119-I123 WeakPolarHBondContact O-CG1 3.33Å; V119-I123 PolarHBondContact O-N 3.46Å; I123-T126 PolarHBondContact O-OG1 3.12Å; I123-T126 VanDerWaalsContact O-OG1 3.04Å; I123-L134 HydrophobicContact CG2-CD2 3.34Å
124N89.3Confident88.1Confident6 Ų633.6 Ų33.63%0.03217%0.169CC..Hα-helixtrans-77.1-22.6-178.4-169.173.3000113.6H120 F121 I122 R135H120-N124 VanDerWaalsContact O-CB 3.28Å; H120-N124 WeakPolarHBondContact O-CB 3.43Å; H120-N124 PolarHBondContact O-N 3.29Å; F121-N124 PolarHBondContact O-N 3.32Å; I122-N124 PolarHBondContact O-N 2.96Å; N124-R135 PolarHBondContact ND2-NE 3.14Å; N124-R135 VanDerWaalsContact ND2-NE 3.18Å; N124-R135 PolarHBondContact ND2-NH2 3.11Å; N124-R135 WeakPolarHBondContact OD1-CG 3.49Å; N124-R135 PolarHBondContact OD1-NE 3.04Å; N124-R135 VanDerWaalsContact OD1-NE 3.11Å
125H87.6Confident88.2Confident55 Ų5538.4 Ų38.426%0.25519%0.186SC..Hα-helixtrans-107.6-4.5-177.3-66.392.4000114F121 I122 Q127F121-H125 AromaticContact CD1-ND1 3.67Å; F121-H125 AromaticContact CD2-CE1 3.58Å; F121-H125 AromaticContact CD2-ND1 3.7Å; F121-H125 HydrophobicContact CE1-CB 4.33Å; F121-H125 AromaticContact CE1-CG 3.95Å; F121-H125 AromaticContact CE1-ND1 3.57Å; F121-H125 AromaticContact CE2-CE1 3.25Å; F121-H125 WeakPolarHBondContact CE2-CE1 3.24Å; F121-H125 AromaticContact CE2-ND1 3.6Å; F121-H125 AromaticContact CG-ND1 3.74Å; F121-H125 AromaticContact CZ-CE1 3.5Å; F121-H125 AromaticContact CZ-CG 3.99Å; F121-H125 AromaticContact CZ-ND1 3.52Å; F121-H125 PolarHBondContact O-N 3.36Å; F121-H125 VanDerWaalsContact O-N 3.08Å; F121-H125 PolarHBondContact O-ND1 3.32Å; I122-H125 CarbonylContact O-C 3.54Å; I122-H125 PolarHBondContact O-N 2.79Å; I122-H125 VanDerWaalsContact O-N 3.1Å; H125-Q127 PolarHBondContact O-N 3.28Å
126T87.9Confident88.2Confident3 Ų340.3 Ų40.32%0.01820%0.199CC..  trans-66.5128.6168.5460000109.9Y57 L61 K64 I122 I123Y57-T126 VanDerWaalsContact CE2-OG1 3.3Å; Y57-T126 WeakPolarHBondContact CE2-OG1 3.34Å; Y57-T126 PolarHBondContact OH-OG1 3.39Å; L61-T126 HydrophobicContact CD2-CG2 4.09Å; K64-T126 HydrophobicContact CD-CG2 3.86Å; I122-T126 HydrophobicContact CG2-CG2 3.98Å; I122-T126 VanDerWaalsContact O-CG2 3.24Å; I122-T126 WeakPolarHBondContact O-CG2 3.46Å; I122-T126 PolarHBondContact O-N 2.72Å; I122-T126 PolarHBondContact O-OG1 3.45Å; I123-T126 PolarHBondContact O-OG1 3.12Å; I123-T126 VanDerWaalsContact O-OG1 3.04Å
127Q86.9Confident88.2Confident99 Ų9940.3 Ų40.346%0.46320%0.199SC..BIsolated β-bridgetrans-108.7148.3-179.4-38.6-162.5-71.700109.9H125 E132 N133H125-Q127 PolarHBondContact O-N 3.28Å; Q127-E132 WeakPolarHBondContact CA-O 3.29Å; Q127-N133 WeakPolarHBondContact CG-OD1 3.3Å; Q127-N133 PolarHBondContact NE2-OD1 3.04Å
128I87.9Confident88.2Confident7 Ų741.9 Ų41.94%0.03621%0.208CC..  trans-85.2174.7166.359.5167.8000110.9K53 E56 Y57 T130 K131 E132 L137K53-I128 HydrophobicContact CG-CD1 4.35Å; E56-I128 HydrophobicContact CG-CB 4.3Å; E56-I128 HydrophobicContact CG-CG2 4.31Å; Y57-I128 HydrophobicContact CD2-CG2 3.92Å; Y57-I128 HydrophobicContact CG-CG2 4.36Å; I128-T130 WeakPolarHBondContact CD1-OG1 3.18Å; I128-T130 VanDerWaalsContact CG1-OG1 3.31Å; I128-T130 WeakPolarHBondContact CG1-OG1 3.47Å; I128-T130 PolarHBondContact O-N 3.06Å; I128-K131 WeakPolarHBondContact O-CA 3.42Å; I128-K131 PolarHBondContact O-N 2.91Å; I128-E132 HydrophobicContact CD1-CB 4.03Å; I128-E132 HydrophobicContact CG1-CB 3.88Å; I128-E132 PolarHBondContact N-O 3.45Å; I128-E132 VanDerWaalsContact N-O 3.13Å; I128-L137 HydrophobicContact CD1-CD2 4.13Å; I128-L137 HydrophobicContact CG2-CD1 4.42Å
129S82.9Confident88.2Confident90 Ų9050.7 Ų50.763%0.62925%0.246SC*.THydrogen-bonded Turntrans-56.4-27.7-179.165.30000113.2E56 K131E56-S129 WeakPolarHBondContact OE1-CB 3.47Å; E56-S129 PolarHBondContact OE1-N 2.91Å; E56-S129 PolarHBondContact OE1-OG 2.99Å; S129-K131 PolarHBondContact O-N 3.23Å
130T82.4Confident88Confident76 Ų7652.7 Ų52.747%0.46626%0.26SS..THydrogen-bonded Turntrans-81.49.817667.90000114.1I128 E132I128-T130 WeakPolarHBondContact CD1-OG1 3.18Å; I128-T130 VanDerWaalsContact CG1-OG1 3.31Å; I128-T130 WeakPolarHBondContact CG1-OG1 3.47Å; I128-T130 PolarHBondContact O-N 3.06Å; T130-E132 PolarHBondContact O-N 3.07Å; T130-E132 WeakPolarHBondContact OG1-CG 3.44Å
131K84.6Confident87.9Confident165 Ų16559.3 Ų59.372%0.71729%0.289SS*.  trans60.118.6-176.5-57-177.4177.1-178.80115.1I128 S129I128-K131 WeakPolarHBondContact O-CA 3.42Å; I128-K131 PolarHBondContact O-N 2.91Å; S129-K131 PolarHBondContact O-N 3.23Å
132E86.4Confident87.8Confident50 Ų5058.4 Ų58.423%0.23428%0.284CS..  trans-82.9135.4174-64.2176.9171.300109.8K53 Q127 I128 T130 D136 L137K53-E132 WeakPolarHBondContact CE-OE2 3.47Å; K53-E132 IonicContact NZ-OE1 2.82Å; K53-E132 PolarHBondContact NZ-OE1 3.05Å; K53-E132 IonicContact NZ-OE2 2.61Å; K53-E132 PolarHBondContact NZ-OE2 3.36Å; Q127-E132 WeakPolarHBondContact CA-O 3.29Å; I128-E132 HydrophobicContact CD1-CB 4.03Å; I128-E132 HydrophobicContact CG1-CB 3.88Å; I128-E132 PolarHBondContact N-O 3.45Å; I128-E132 VanDerWaalsContact N-O 3.13Å; T130-E132 PolarHBondContact O-N 3.07Å; T130-E132 WeakPolarHBondContact OG1-CG 3.44Å; E132-D136 HydrophobicContact CB-CB 4.17Å; E132-L137 HydrophobicContact CB-CD2 4.4Å; E132-L137 WeakPolarHBondContact OE2-CD2 3.47Å
133N88.8Confident87.8Confident33 Ų3358.3 Ų58.318%0.17628%0.284CS..BIsolated β-bridgetrans-94.8171.1176.5-67.516000110.6Q127 R135 D136 L137Q127-N133 WeakPolarHBondContact CG-OD1 3.3Å; Q127-N133 PolarHBondContact NE2-OD1 3.04Å; N133-R135 PolarHBondContact O-N 2.96Å; N133-R135 VanDerWaalsContact O-N 3.11Å; N133-D136 PolarHBondContact N-OD2 2.93Å; N133-D136 VanDerWaalsContact N-OD2 3.07Å; N133-D136 WeakPolarHBondContact O-CB 3.45Å; N133-D136 PolarHBondContact O-N 3.49Å; N133-L137 WeakPolarHBondContact O-CG 3.1Å; N133-L137 PolarHBondContact O-N 3.2Å
134L89Confident87.7Confident0 Ų062.3 Ų62.30%030%0.303CS..Hα-helixtrans-53.9-35.9176.9-177.262.3000113.2L39 Y57 I123 D136 L137 M138 F143L39-L134 HydrophobicContact CD2-CD2 4Å; Y57-L134 HydrophobicContact CE1-CD1 4.15Å; Y57-L134 HydrophobicContact CE2-CB 4.28Å; I123-L134 HydrophobicContact CG2-CD2 3.34Å; L134-D136 VanDerWaalsContact C-N 3.3Å; L134-D136 PolarHBondContact O-N 3.4Å; L134-L137 PolarHBondContact O-N 3.34Å; L134-M138 HydrophobicContact CD1-CG 4.33Å; L134-M138 HydrophobicContact CG-CG 4.36Å; L134-M138 HydrophobicContact CG-SD 4.32Å; L134-M138 WeakPolarHBondContact O-CG 3.05Å; L134-M138 PolarHBondContact O-N 3.45Å; L134-F143 HydrophobicContact CD1-CD2 3.72Å; L134-F143 HydrophobicContact CD1-CE2 4.23Å; L134-F143 HydrophobicContact CD1-CG 4.22Å
135R87Confident87.8Confident112 Ų11262.3 Ų62.342%0.42330%0.303SS..Hα-helixtrans-60.9-39.4176.3-65.2-172.6-178.2-178.20.1112.3N124 N133 M138 K139N124-R135 PolarHBondContact ND2-NE 3.14Å; N124-R135 VanDerWaalsContact ND2-NE 3.18Å; N124-R135 PolarHBondContact ND2-NH2 3.11Å; N124-R135 WeakPolarHBondContact OD1-CG 3.49Å; N124-R135 PolarHBondContact OD1-NE 3.04Å; N124-R135 VanDerWaalsContact OD1-NE 3.11Å; N133-R135 PolarHBondContact O-N 2.96Å; N133-R135 VanDerWaalsContact O-N 3.11Å; R135-M138 PolarHBondContact O-N 3.46Å; R135-K139 WeakPolarHBondContact O-CB 3.47Å; R135-K139 PolarHBondContact O-N 3.15Å
136D88Confident87.9Confident77 Ų7761.9 Ų61.941%0.41230%0.299SS..Hα-helixtrans-72.4-37.6178.5-55.4-48.1000111E132 N133 L134 K139 S140E132-D136 HydrophobicContact CB-CB 4.17Å; N133-D136 PolarHBondContact N-OD2 2.93Å; N133-D136 VanDerWaalsContact N-OD2 3.07Å; N133-D136 WeakPolarHBondContact O-CB 3.45Å; N133-D136 PolarHBondContact O-N 3.49Å; L134-D136 VanDerWaalsContact C-N 3.3Å; L134-D136 PolarHBondContact O-N 3.4Å; D136-K139 PolarHBondContact O-N 2.86Å; D136-S140 WeakPolarHBondContact O-CB 3.27Å; D136-S140 PolarHBondContact O-N 3.06Å; D136-S140 PolarHBondContact O-OG 2.84Å
137L89.6Confident88.1Confident0 Ų062 Ų620%030%0.3CS..Hα-helixtrans-64.7-37.9173.9-62.8178000112K53 Y57 I128 E132 N133 L134 S140 K141 V142 F143K53-L137 HydrophobicContact CB-CD2 4.36Å; K53-L137 HydrophobicContact CD-CD2 4.18Å; Y57-L137 HydrophobicContact CD2-CD1 3.59Å; Y57-L137 HydrophobicContact CE2-CD1 4.27Å; Y57-L137 HydrophobicContact CG-CD1 3.83Å; I128-L137 HydrophobicContact CD1-CD2 4.13Å; I128-L137 HydrophobicContact CG2-CD1 4.42Å; E132-L137 HydrophobicContact CB-CD2 4.4Å; E132-L137 WeakPolarHBondContact OE2-CD2 3.47Å; N133-L137 WeakPolarHBondContact O-CG 3.1Å; N133-L137 PolarHBondContact O-N 3.2Å; L134-L137 PolarHBondContact O-N 3.34Å; L137-S140 WeakPolarHBondContact CA-OG 3.39Å; L137-S140 PolarHBondContact O-OG 3.08Å; L137-S140 VanDerWaalsContact O-OG 3.12Å; L137-K141 PolarHBondContact O-N 3.24Å; L137-V142 HydrophobicContact CB-CB 4.18Å; L137-V142 HydrophobicContact CD2-CB 4.37Å; L137-V142 HydrophobicContact CD2-CG1 4.36Å; L137-V142 HydrophobicContact CD2-CG2 4.25Å; L137-V142 WeakPolarHBondContact O-CB 3.44Å; L137-V142 PolarHBondContact O-N 3.25Å; L137-F143 HydrophobicContact CB-CD2 4.03Å; L137-F143 HydrophobicContact CD1-CD2 4.37Å; L137-F143 HydrophobicContact CD1-CE2 4.12Å; L137-F143 PolarHBondContact O-N 2.83Å
138M89.8Confident88.3Confident50 Ų5057.3 Ų57.325%0.24628%0.277CS..Hα-helixtrans-68.4-42.4172.7-71.3-178.268.400111.6L134 R135 S140 K141 F143 R146L134-M138 HydrophobicContact CD1-CG 4.33Å; L134-M138 HydrophobicContact CG-CG 4.36Å; L134-M138 HydrophobicContact CG-SD 4.32Å; L134-M138 WeakPolarHBondContact O-CG 3.05Å; L134-M138 PolarHBondContact O-N 3.45Å; R135-M138 PolarHBondContact O-N 3.46Å; M138-S140 VanDerWaalsContact C-N 3.29Å; M138-S140 PolarHBondContact O-N 3.1Å; M138-K141 WeakPolarHBondContact O-CA 3.27Å; M138-K141 PolarHBondContact O-N 3.37Å; M138-F143 HydrophobicContact CG-CB 4.21Å; M138-R146 HydrophobicContact CE-CG 4.25Å; M138-R146 HydrophobicContact SD-CG 3.94Å
139K88.3Confident88.3Confident185 Ų18557.1 Ų57.180%0.80428%0.277SS*.Hα-helixtrans-63.5-35.3178-170.1-178177.7-167.70112.4R135 D136 K141R135-K139 WeakPolarHBondContact O-CB 3.47Å; R135-K139 PolarHBondContact O-N 3.15Å; D136-K139 PolarHBondContact O-N 2.86Å; K139-K141 PolarHBondContact O-N 3.03Å
140S87.6Confident88.4Confident42 Ų4253 Ų5329%0.29425%0.247SC..THydrogen-bonded Turntrans-81.24.7173.554.10000113.9D136 L137 M138 V142D136-S140 WeakPolarHBondContact O-CB 3.27Å; D136-S140 PolarHBondContact O-N 3.06Å; D136-S140 PolarHBondContact O-OG 2.84Å; L137-S140 WeakPolarHBondContact CA-OG 3.39Å; L137-S140 PolarHBondContact O-OG 3.08Å; L137-S140 VanDerWaalsContact O-OG 3.12Å; M138-S140 VanDerWaalsContact C-N 3.29Å; M138-S140 PolarHBondContact O-N 3.1Å; S140-V142 PolarHBondContact O-N 3.38Å; S140-V142 WeakPolarHBondContact OG-CG2 3.49Å
141K88.7Confident88.4Confident173 Ų17351.1 Ų51.175%0.75223%0.233SC*.THydrogen-bonded Turntrans60.124.3-179.8-56.1-177.71781780114.4L137 M138 K139L137-K141 PolarHBondContact O-N 3.24Å; M138-K141 WeakPolarHBondContact O-CA 3.27Å; M138-K141 PolarHBondContact O-N 3.37Å; K139-K141 PolarHBondContact O-N 3.03Å
142V89.1Confident88.1Confident0 Ų048 Ų480%022%0.219CC..SBendtrans-68.8-44.2171.3177.50000109.8H50 K53 Q54 L137 S140H50-V142 HydrophobicContact CB-CG2 4.24Å; K53-V142 HydrophobicContact CB-CG1 4.02Å; K53-V142 HydrophobicContact CB-CG2 4.42Å; K53-V142 HydrophobicContact CD-CG2 4.16Å; Q54-V142 HydrophobicContact CB-CG1 4.42Å; Q54-V142 HydrophobicContact CG-CG1 3.46Å; Q54-V142 VanDerWaalsContact CG-CG1 3.46Å; Q54-V142 PolarHBondContact NE2-O 2.69Å; L137-V142 HydrophobicContact CB-CB 4.18Å; L137-V142 HydrophobicContact CD2-CB 4.37Å; L137-V142 HydrophobicContact CD2-CG1 4.36Å; L137-V142 HydrophobicContact CD2-CG2 4.25Å; L137-V142 WeakPolarHBondContact O-CB 3.44Å; L137-V142 PolarHBondContact O-N 3.25Å; S140-V142 PolarHBondContact O-N 3.38Å; S140-V142 WeakPolarHBondContact OG-CG2 3.49Å
143F91.3Very high87.8Confident2 Ų253.6 Ų53.61%0.00924%0.239CC..SBendtrans-110.2143.7166.1-69.3-79.7000109.2L39 A41 Q54 Y57 I58 Y79 L134 L137 M138L39-F143 HydrophobicContact CB-CD1 4.2Å; L39-F143 HydrophobicContact CB-CE1 4.31Å; L39-F143 HydrophobicContact CD1-CE1 4.24Å; L39-F143 HydrophobicContact CD1-CZ 4.48Å; A41-F143 HydrophobicContact CB-CD1 3.88Å; A41-F143 HydrophobicContact CB-CE1 4.25Å; Q54-F143 HydrophobicContact CB-CZ 4.45Å; Q54-F143 HydrophobicContact CG-CZ 4.34Å; Y57-F143 AromaticContact CD1-CE2 3.67Å; Y57-F143 HydrophobicContact CD1-CE2 3.67Å; Y57-F143 AromaticContact CD1-CZ 3.74Å; Y57-F143 HydrophobicContact CD1-CZ 3.74Å; Y57-F143 HydrophobicContact CE1-CE2 4.34Å; Y57-F143 HydrophobicContact CE1-CZ 4.47Å; Y57-F143 HydrophobicContact CG-CE2 4.06Å; Y57-F143 HydrophobicContact CG-CZ 4.42Å; I58-F143 HydrophobicContact CD1-CZ 4.41Å; Y79-F143 HydrophobicContact CD2-CE1 4.29Å; Y79-F143 HydrophobicContact CE2-CE1 4.23Å; L134-F143 HydrophobicContact CD1-CD2 3.72Å; L134-F143 HydrophobicContact CD1-CE2 4.23Å; L134-F143 HydrophobicContact CD1-CG 4.22Å; L137-F143 HydrophobicContact CB-CD2 4.03Å; L137-F143 HydrophobicContact CD1-CD2 4.37Å; L137-F143 HydrophobicContact CD1-CE2 4.12Å; L137-F143 PolarHBondContact O-N 2.83Å; M138-F143 HydrophobicContact CG-CB 4.21Å
144E89Confident87.5Confident83 Ų8353.9 Ų53.939%0.38824%0.238SC..  trans-85.1-50.2180179.6161.2-169.300111.1V40 L76 Y537V40-E144 PolarHBondContact O-N 3.43Å; L76-E144 WeakPolarHBondContact CD2-OE2 3.44Å; E144-Y537 PolarHBondContact OE1-OH 2.98Å; E144-Y537 VanDerWaalsContact OE1-OH 3.12Å
145T90.6Very high87.3Confident6 Ų655.8 Ų55.84%0.03725%0.247CC..EExtended strand (participates in β ladder)trans-155.1167.7179.1-170.20000112.2V40 F147 Y537 R595V40-T145 HydrophobicContact CB-CG2 3.93Å; V40-T145 HydrophobicContact CG2-CG2 4.04Å; V40-T145 PolarHBondContact N-O 3.2Å; V40-T145 PolarHBondContact O-N 3.32Å; T145-F147 HydrophobicContact CG2-CD1 4.11Å; T145-F147 HydrophobicContact CG2-CE1 4.22Å; T145-Y537 HydrophobicContact CG2-CD2 3.7Å; T145-Y537 HydrophobicContact CG2-CE2 3.58Å; T145-R595 PolarHBondContact OG1-NH1 2.99Å
146R91.3Very high87.2Confident47 Ų4756.7 Ų56.718%0.17725%0.254CS..EExtended strand (participates in β ladder)trans-138.9140176.870.4-178.3-177.3117.97.4109.8Y37 V38 L39 H120 M138Y37-R146 HydrophobicContact CE1-CB 3.71Å; Y37-R146 HydrophobicContact CE1-CG 4.1Å; Y37-R146 PolarHBondContact OH-NH1 3.32Å; Y37-R146 VanDerWaalsContact OH-NH1 3.16Å; V38-R146 WeakPolarHBondContact O-CA 3.49Å; L39-R146 HydrophobicContact CD2-CB 3.49Å; L39-R146 VanDerWaalsContact CD2-CB 3.49Å; H120-R146 PolarHBondContact CE1-NH1 3.22Å; H120-R146 PolarHBondContact CE1-NH2 3.01Å; H120-R146 VanDerWaalsContact CE1-NH2 3.28Å; H120-R146 PolarHBondContact ND1-NH1 3.28Å; H120-R146 PolarHBondContact NE2-NH1 3.1Å; M138-R146 HydrophobicContact CE-CG 4.25Å; M138-R146 HydrophobicContact SD-CG 3.94Å
147F91.8Very high87.1Confident6 Ų656.5 Ų56.53%0.02625%0.251CS..EExtended strand (participates in β ladder)trans-158156.6178.156.3-89.4000113.6V38 V40 T145 L149 N536 Y537 R595V38-F147 HydrophobicContact CB-CD2 4.36Å; V38-F147 HydrophobicContact CB-CE1 4.48Å; V38-F147 HydrophobicContact CB-CE2 3.95Å; V38-F147 HydrophobicContact CB-CZ 4.01Å; V38-F147 HydrophobicContact CG1-CE1 4.25Å; V38-F147 HydrophobicContact CG1-CE2 4.22Å; V38-F147 HydrophobicContact CG1-CZ 3.81Å; V38-F147 HydrophobicContact CG2-CE2 4.39Å; V38-F147 PolarHBondContact N-O 3.25Å; V38-F147 PolarHBondContact O-N 3.35Å; V40-F147 HydrophobicContact CG2-CE1 3.65Å; V40-F147 HydrophobicContact CG2-CZ 4.3Å; T145-F147 HydrophobicContact CG2-CD1 4.11Å; T145-F147 HydrophobicContact CG2-CE1 4.22Å; F147-L149 HydrophobicContact CD2-CD2 4.28Å; F147-L149 HydrophobicContact CE2-CD2 3.75Å; F147-N536 HydrophobicContact CD2-CB 4.04Å; F147-N536 HydrophobicContact CE2-CB 3.6Å; F147-N536 HydrophobicContact CZ-CB 4.42Å; F147-Y537 HydrophobicContact CE1-CD2 4.07Å; F147-R595 HydrophobicContact CB-CB 4.42Å; F147-R595 HydrophobicContact CB-CG 4.45Å
148C90.5Very high87Confident0 Ų056.7 Ų56.70%025%0.252CS..BIsolated β-bridgetrans-85.1145.2167.9-48.60000109.2Y37 I116 R596Y37-C148 WeakPolarHBondContact CE2-SG 3.3Å; I116-C148 HydrophobicContact CG2-CB 4.08Å; I116-C148 WeakPolarHBondContact CG2-SG 3.43Å; C148-R596 HydrophobicContact CB-CB 4.23Å
149L87.3Confident86.9Confident3 Ų359.6 Ų59.62%0.01626%0.263CS..PPolyproline II helixtrans-80.9141.4177.4-66.2168.2000111.5L33 V38 F147 N536 R596L33-L149 HydrophobicContact CD2-CB 3.81Å; L33-L149 HydrophobicContact CD2-CD1 4.01Å; V38-L149 HydrophobicContact CG2-CD1 3.82Å; V38-L149 HydrophobicContact CG2-CD2 3.99Å; V38-L149 HydrophobicContact CG2-CG 3.85Å; F147-L149 HydrophobicContact CD2-CD2 4.28Å; F147-L149 HydrophobicContact CE2-CD2 3.75Å; L149-N536 HydrophobicContact CD2-CB 4.03Å; L149-R596 VanDerWaalsContact O-CD 3.31Å; L149-R596 WeakPolarHBondContact O-CD 3.46Å; L149-R596 PolarHBondContact O-NH1 3.17Å
150H86.5Confident86.8Confident2 Ų255 Ų551%0.00924%0.244CC..PPolyproline II helixtrans-70.7138.2164-78.3-94.7000110.8Q155 Y180 N536 E594 R596H150-Q155 PolarHBondContact ND1-NE2 2.95Å; H150-Y180 VanDerWaalsContact CA-OH 3.24Å; H150-Y180 WeakPolarHBondContact CA-OH 3.46Å; H150-Y180 WeakPolarHBondContact CB-OH 3.34Å; H150-Y180 AromaticContact ND1-CE1 3.91Å; H150-Y180 AromaticContact ND1-CZ 3.82Å; H150-Y180 PolarHBondContact ND1-OH 3.38Å; H150-N536 PolarHBondContact CD2-OD1 3.16Å; H150-N536 PolarHBondContact N-OD1 3.48Å; H150-E594 PolarHBondContact NE2-O 2.91Å; H150-E594 VanDerWaalsContact NE2-O 3.12Å; H150-R596 WeakPolarHBondContact NE2-CA 3.18Å; H150-R596 PolarHBondContact NE2-N 3.48Å
151E81.9Confident86.7Confident38 Ų3856.5 Ų56.518%0.17825%0.247CC..  trans-88.3110.5173.1-169.7-177.2163.800109L112 R153 K154 Q155 Y180L112-E151 WeakPolarHBondContact CD2-OE2 3.39Å; E151-R153 VanDerWaalsContact C-N 3.26Å; E151-R153 PolarHBondContact O-N 3.04Å; E151-R153 VanDerWaalsContact O-N 3.13Å; E151-K154 HydrophobicContact CB-CB 4.49Å; E151-K154 HydrophobicContact CG-CG 4.48Å; E151-K154 PolarHBondContact O-N 2.8Å; E151-K154 VanDerWaalsContact OE2-CD 3.25Å; E151-K154 WeakPolarHBondContact OE2-CD 3.42Å; E151-K154 WeakPolarHBondContact OE2-CE 3.31Å; E151-K154 IonicContact OE2-NZ 2.96Å; E151-Q155 WeakPolarHBondContact O-CB 3.47Å; E151-Q155 PolarHBondContact O-N 2.97Å; E151-Y180 HydrophobicContact CB-CE2 4.1Å; E151-Y180 PolarHBondContact N-OH 2.76Å; E151-Y180 VanDerWaalsContact N-OH 3.14Å
152K78.3Confident86.7Confident98 Ų9848.3 Ų48.343%0.42621%0.211SC..Hα-helixtrans-54.7-37.9-170.2-69-177.7-175.91630114.2K156 D532K152-K156 VanDerWaalsContact O-CB 3.24Å; K152-K156 WeakPolarHBondContact O-CB 3.19Å; K152-K156 PolarHBondContact O-N 3.07Å; K152-D532 WeakPolarHBondContact CE-OD1 3.35Å; K152-D532 IonicContact NZ-OD1 3.42Å; K152-D532 PolarHBondContact NZ-OD1 2.92Å
153R80Confident86.6Confident169 Ų16948.6 Ų48.664%0.63821%0.213SC*.Hα-helixtrans-67.5-59.3-179.2-176.8176.1174.1166.7-0.6111E151 Q155 K156 E157E151-R153 VanDerWaalsContact C-N 3.26Å; E151-R153 PolarHBondContact O-N 3.04Å; E151-R153 VanDerWaalsContact O-N 3.13Å; R153-Q155 VanDerWaalsContact C-N 3.31Å; R153-Q155 PolarHBondContact O-N 2.84Å; R153-K156 WeakPolarHBondContact O-CB 3.25Å; R153-K156 PolarHBondContact O-N 2.52Å; R153-K156 VanDerWaalsContact O-N 3.07Å; R153-E157 WeakPolarHBondContact CG-OE1 3.33Å; R153-E157 IonicContact NE-OE1 2.81Å; R153-E157 PolarHBondContact NE-OE1 3.05Å; R153-E157 WeakPolarHBondContact O-CG 3.21Å; R153-E157 PolarHBondContact O-N 3.3Å
154K82.1Confident86.4Confident38 Ų3852.4 Ų52.417%0.16523%0.228CC..Hα-helixtrans-62.1-36.8178.4-62.2-169.1-172.8177.60112.8E151 K156 E157 L158 Y180E151-K154 HydrophobicContact CB-CB 4.49Å; E151-K154 HydrophobicContact CG-CG 4.48Å; E151-K154 PolarHBondContact O-N 2.8Å; E151-K154 VanDerWaalsContact OE2-CD 3.25Å; E151-K154 WeakPolarHBondContact OE2-CD 3.42Å; E151-K154 WeakPolarHBondContact OE2-CE 3.31Å; E151-K154 IonicContact OE2-NZ 2.96Å; K154-K156 VanDerWaalsContact C-N 3.34Å; K154-E157 PolarHBondContact O-N 2.94Å; K154-L158 WeakPolarHBondContact O-CB 3.38Å; K154-L158 WeakPolarHBondContact O-CG 3.16Å; K154-L158 PolarHBondContact O-N 2.85Å; K154-Y180 HydrophobicContact CB-CD2 3.78Å; K154-Y180 HydrophobicContact CB-CE2 3.86Å; K154-Y180 HydrophobicContact CD-CD2 4.26Å
155Q85.4Confident86.2Confident41 Ų4153.9 Ų53.919%0.19223%0.23CC..Hα-helixtrans-62.7-41174.1-174.1-173.731.100111.5H150 E151 R153 K159 V591H150-Q155 PolarHBondContact ND1-NE2 2.95Å; E151-Q155 WeakPolarHBondContact O-CB 3.47Å; E151-Q155 PolarHBondContact O-N 2.97Å; R153-Q155 VanDerWaalsContact C-N 3.31Å; R153-Q155 PolarHBondContact O-N 2.84Å; Q155-K159 VanDerWaalsContact O-CB 3.25Å; Q155-K159 WeakPolarHBondContact O-CB 3.39Å; Q155-K159 PolarHBondContact O-N 3.42Å; Q155-V591 HydrophobicContact CG-CG1 3.88Å; Q155-V591 PolarHBondContact NE2-O 2.96Å
156K83.7Confident85.8Confident131 Ų13158.3 Ų58.357%0.5726%0.261SS*.Hα-helixtrans-65.7-44.3176.2-175.4-178.8173.1-171.70111K152 R153 K154 K159 E160K152-K156 VanDerWaalsContact O-CB 3.24Å; K152-K156 WeakPolarHBondContact O-CB 3.19Å; K152-K156 PolarHBondContact O-N 3.07Å; R153-K156 WeakPolarHBondContact O-CB 3.25Å; R153-K156 PolarHBondContact O-N 2.52Å; R153-K156 VanDerWaalsContact O-N 3.07Å; K154-K156 VanDerWaalsContact C-N 3.34Å; K156-K159 WeakPolarHBondContact O-CB 3.11Å; K156-K159 PolarHBondContact O-N 2.84Å; K156-E160 WeakPolarHBondContact CE-OE1 3.36Å; K156-E160 IonicContact NZ-OE1 3.84Å; K156-E160 WeakPolarHBondContact O-CB 3.23Å; K156-E160 WeakPolarHBondContact O-CG 3.39Å; K156-E160 PolarHBondContact O-N 3.3Å
157E85.8Confident85.3Confident72 Ų7256.1 Ų56.134%0.33625%0.253SS..Hα-helixtrans-58.5-49.5175.5-69.7166.2-167.600111.4R153 K154 K159 E160 E161R153-E157 WeakPolarHBondContact CG-OE1 3.33Å; R153-E157 IonicContact NE-OE1 2.81Å; R153-E157 PolarHBondContact NE-OE1 3.05Å; R153-E157 WeakPolarHBondContact O-CG 3.21Å; R153-E157 PolarHBondContact O-N 3.3Å; K154-E157 PolarHBondContact O-N 2.94Å; E157-K159 VanDerWaalsContact C-N 3.34Å; E157-K159 PolarHBondContact O-N 3.23Å; E157-E160 CarbonylContact O-C 3.58Å; E157-E160 PolarHBondContact O-N 3.17Å; E157-E161 PolarHBondContact O-N 2.84Å
158L88.9Confident84.5Confident4 Ų458.2 Ų58.22%0.02127%0.267CS..Hα-helixtrans-62.8-37.9176.6-74.5172000112.9K154 E160 W162 A163 K176 V177 Y180 F181 V591K154-L158 WeakPolarHBondContact O-CB 3.38Å; K154-L158 WeakPolarHBondContact O-CG 3.16Å; K154-L158 PolarHBondContact O-N 2.85Å; L158-E160 PolarHBondContact O-N 2.97Å; L158-W162 HydrophobicContact CD2-CE3 4.44Å; L158-W162 WeakPolarHBondContact O-CB 3.48Å; L158-W162 PolarHBondContact O-N 3.14Å; L158-A163 PolarHBondContact O-N 3.24Å; L158-K176 HydrophobicContact CD2-CB 3.98Å; L158-V177 HydrophobicContact CD2-CG2 4.33Å; L158-Y180 HydrophobicContact CD1-CD1 3.73Å; L158-Y180 HydrophobicContact CD1-CD2 4.2Å; L158-Y180 HydrophobicContact CD1-CE1 4.4Å; L158-Y180 HydrophobicContact CD1-CG 3.62Å; L158-F181 HydrophobicContact CD1-CE2 4.44Å; L158-V591 HydrophobicContact CB-CG1 4.4Å; L158-V591 HydrophobicContact CB-CG2 4.41Å
159K87.2Confident83.6Confident111 Ų11166.1 Ų66.148%0.48331%0.309SS..Hα-helixtrans-63.7-34.3174.2-172.1-177.6178.5-171.50111.9Q155 K156 E157 V591 T592Q155-K159 VanDerWaalsContact O-CB 3.25Å; Q155-K159 WeakPolarHBondContact O-CB 3.39Å; Q155-K159 PolarHBondContact O-N 3.42Å; K156-K159 WeakPolarHBondContact O-CB 3.11Å; K156-K159 PolarHBondContact O-N 2.84Å; E157-K159 VanDerWaalsContact C-N 3.34Å; E157-K159 PolarHBondContact O-N 3.23Å; K159-V591 HydrophobicContact CB-CG1 4.26Å; K159-T592 HydrophobicContact CD-CG2 4.02Å; K159-T592 HydrophobicContact CG-CG2 4.19Å
160E86.4Confident83.2Confident88 Ų8870.6 Ų70.641%0.41133%0.328SS..Hα-helixtrans-83-35.9-178.8-74.2-178-166.800113.1K156 E157 L158 R164K156-E160 WeakPolarHBondContact CE-OE1 3.36Å; K156-E160 IonicContact NZ-OE1 3.84Å; K156-E160 WeakPolarHBondContact O-CB 3.23Å; K156-E160 WeakPolarHBondContact O-CG 3.39Å; K156-E160 PolarHBondContact O-N 3.3Å; E157-E160 CarbonylContact O-C 3.58Å; E157-E160 PolarHBondContact O-N 3.17Å; L158-E160 PolarHBondContact O-N 2.97Å; E160-R164 VanDerWaalsContact C-CZ 3.48Å; E160-R164 VanDerWaalsContact C-NH2 3.34Å; E160-R164 VanDerWaalsContact CG-NH2 3.33Å; E160-R164 PolarHBondContact O-NE 3.43Å; E160-R164 PolarHBondContact O-NH1 2.84Å; E160-R164 PolarHBondContact O-NH2 2.97Å
161E85Confident82.8Confident74 Ų7470.8 Ų70.835%0.34633%0.331SS..Hα-helixtrans-86.7-31.6-177.6-68.2-178.7172.200112.8E157 K176E157-E161 PolarHBondContact O-N 2.84Å; E161-K176 IonicContact OE1-NZ 3.06Å; E161-K176 PolarHBondContact OE1-NZ 2.97Å; E161-K176 WeakPolarHBondContact OE2-CD 3.28Å; E161-K176 WeakPolarHBondContact OE2-CE 3.33Å; E161-K176 IonicContact OE2-NZ 3.04Å; E161-K176 PolarHBondContact OE2-NZ 3.5Å
162W88.8Confident83Confident2 Ų269.4 Ų69.41%0.00832%0.324CS..THydrogen-bonded Turntrans-133.9-53.3-163178.257.3000114.1L158 R164 P173 V177 F189 A587 V591L158-W162 HydrophobicContact CD2-CE3 4.44Å; L158-W162 WeakPolarHBondContact O-CB 3.48Å; L158-W162 PolarHBondContact O-N 3.14Å; W162-R164 PolarHBondContact O-N 2.84Å; W162-P173 HydrophobicContact CB-CG 3.79Å; W162-P173 HydrophobicContact CG-CG 4.08Å; W162-V177 HydrophobicContact CD2-CG2 4.18Å; W162-V177 HydrophobicContact CE3-CG2 3.86Å; W162-V177 HydrophobicContact CH2-CG1 4.3Å; W162-V177 HydrophobicContact CH2-CG2 3.79Å; W162-V177 HydrophobicContact CZ2-CG2 4.09Å; W162-V177 HydrophobicContact CZ3-CG2 3.67Å; W162-F189 HydrophobicContact CH2-CD1 4.26Å; W162-F189 AromaticContact CH2-CD2 3.78Å; W162-F189 HydrophobicContact CH2-CD2 3.78Å; W162-F189 AromaticContact CH2-CE1 3.92Å; W162-F189 HydrophobicContact CH2-CE1 3.92Å; W162-F189 AromaticContact CH2-CE2 3.41Å; W162-F189 HydrophobicContact CH2-CE2 3.41Å; W162-F189 VanDerWaalsContact CH2-CE2 3.41Å; W162-F189 HydrophobicContact CH2-CG 4.18Å; W162-F189 AromaticContact CH2-CZ 3.46Å; W162-F189 HydrophobicContact CH2-CZ 3.46Å; W162-F189 VanDerWaalsContact CH2-CZ 3.46Å; W162-F189 AromaticContact CZ2-CD1 3.56Å; W162-F189 HydrophobicContact CZ2-CD1 3.56Å; W162-F189 AromaticContact CZ2-CD2 3.8Å; W162-F189 HydrophobicContact CZ2-CD2 3.8Å; W162-F189 AromaticContact CZ2-CE1 3.47Å; W162-F189 HydrophobicContact CZ2-CE1 3.47Å; W162-F189 VanDerWaalsContact CZ2-CE1 3.47Å; W162-F189 AromaticContact CZ2-CE2 3.74Å; W162-F189 HydrophobicContact CZ2-CE2 3.74Å; W162-F189 AromaticContact CZ2-CG 3.7Å; W162-F189 HydrophobicContact CZ2-CG 3.7Å; W162-F189 AromaticContact CZ2-CZ 3.55Å; W162-F189 HydrophobicContact CZ2-CZ 3.55Å; W162-A587 HydrophobicContact CD2-CB 3.72Å; W162-A587 HydrophobicContact CE3-CB 3.85Å; W162-A587 HydrophobicContact CG-CB 4.46Å; W162-A587 HydrophobicContact CH2-CB 3.66Å; W162-A587 HydrophobicContact CZ2-CB 3.52Å; W162-A587 HydrophobicContact CZ3-CB 3.82Å; W162-V591 HydrophobicContact CE3-CG2 4.26Å; W162-V591 HydrophobicContact CZ3-CG2 3.96Å
163A88Confident83.5Confident5 Ų565 Ų654%0.04131%0.306CS..SBendtrans-83.356.9-174.200000113.3L158 A587 I588 V591L158-A163 PolarHBondContact O-N 3.24Å; A163-A587 HydrophobicContact CB-CB 3.98Å; A163-A587 WeakPolarHBondContact CB-O 3.46Å; A163-I588 HydrophobicContact CB-CG1 4.21Å; A163-I588 WeakPolarHBondContact O-CG1 2.89Å; A163-V591 HydrophobicContact CB-CB 3.96Å; A163-V591 HydrophobicContact CB-CG1 4.31Å; A163-V591 HydrophobicContact CB-CG2 4Å
164R86Confident83.9Confident83 Ų8357.1 Ų57.131%0.31328%0.277SS..SBendtrans-146.1146.1173.758.9162.485.4155-0.2111.6E160 W162 S166 A167E160-R164 VanDerWaalsContact C-CZ 3.48Å; E160-R164 VanDerWaalsContact C-NH2 3.34Å; E160-R164 VanDerWaalsContact CG-NH2 3.33Å; E160-R164 PolarHBondContact O-NE 3.43Å; E160-R164 PolarHBondContact O-NH1 2.84Å; E160-R164 PolarHBondContact O-NH2 2.97Å; W162-R164 PolarHBondContact O-N 2.84Å; R164-S166 VanDerWaalsContact C-N 3.29Å; R164-S166 WeakPolarHBondContact CD-OG 3.26Å; R164-S166 PolarHBondContact O-N 3.28Å; R164-A167 HydrophobicContact CG-CB 3.57Å; R164-A167 PolarHBondContact O-N 3.29Å
165W84.8Confident84.2Confident114 Ų11456.6 Ų56.643%0.43228%0.277SS..G310 helixtrans-60.2-35.6178.1-67.6110.9000113.6A167 C168 I581 R584 L585 I588W165-A167 PolarHBondContact O-N 3.15Å; W165-C168 WeakPolarHBondContact O-CB 3.4Å; W165-C168 PolarHBondContact O-N 2.94Å; W165-C168 VanDerWaalsContact O-N 3.15Å; W165-I581 HydrophobicContact CH2-CG2 4.02Å; W165-I581 HydrophobicContact CZ3-CG2 4.25Å; W165-R584 HydrophobicContact CE3-CB 4.22Å; W165-R584 HydrophobicContact CZ3-CB 4.16Å; W165-L585 HydrophobicContact CH2-CD1 4.48Å; W165-L585 HydrophobicContact CH2-CD2 3.5Å; W165-L585 HydrophobicContact CH2-CG 3.69Å; W165-L585 HydrophobicContact CZ2-CD2 3.39Å; W165-L585 HydrophobicContact CZ2-CG 4.11Å; W165-I588 HydrophobicContact CD2-CD1 4.36Å; W165-I588 HydrophobicContact CG-CD1 4.43Å; W165-I588 HydrophobicContact CZ2-CD1 4.49Å
166S83.1Confident84.3Confident99 Ų9957.5 Ų57.569%0.69228%0.28SS*.G310 helixtrans-71.9-6.5177.859.90000114.4R164 C168R164-S166 VanDerWaalsContact C-N 3.29Å; R164-S166 WeakPolarHBondContact CD-OG 3.26Å; R164-S166 PolarHBondContact O-N 3.28Å; S166-C168 VanDerWaalsContact C-N 3.34Å
167A80.3Confident84.7Confident1 Ų151.3 Ų51.31%0.00825%0.253CS..G310 helixtrans-93.413.4171.600000112.6R164 W165 L169 K170 R584R164-A167 HydrophobicContact CG-CB 3.57Å; R164-A167 PolarHBondContact O-N 3.29Å; W165-A167 PolarHBondContact O-N 3.15Å; A167-L169 VanDerWaalsContact C-N 3.27Å; A167-L169 PolarHBondContact O-N 3.47Å; A167-K170 HydrophobicContact CB-CB 4.29Å; A167-K170 HydrophobicContact CB-CD 4.12Å; A167-K170 HydrophobicContact CB-CG 4.45Å; A167-K170 WeakPolarHBondContact O-CB 3.21Å; A167-K170 PolarHBondContact O-N 3.5Å; A167-R584 PolarHBondContact O-NH2 3.26Å
168C75.5Confident84.9Confident49 Ų4950 Ų5033%0.33125%0.245SC..THydrogen-bonded Turntrans-51.4-44-178.6-162.50000113.3W165 S166 K170 V580 R584W165-C168 WeakPolarHBondContact O-CB 3.4Å; W165-C168 PolarHBondContact O-N 2.94Å; W165-C168 VanDerWaalsContact O-N 3.15Å; S166-C168 VanDerWaalsContact C-N 3.34Å; C168-K170 VanDerWaalsContact C-N 3.33Å; C168-K170 PolarHBondContact O-N 2.98Å; C168-V580 WeakPolarHBondContact SG-CG1 3.35Å; C168-R584 PolarHBondContact O-NH2 3.48Å
169L71.1Confident84.8Confident167 Ų16752 Ų5287%0.87426%0.256SS*.THydrogen-bonded Turntrans-87.25180-59.7172.2000114.2A167A167-L169 VanDerWaalsContact C-N 3.27Å; A167-L169 PolarHBondContact O-N 3.47Å
170K78.1Confident84.9Confident96 Ų9646.9 Ų46.942%0.41723%0.234SC..SBendtrans-96.1139.6177.2-65.2-176.5177-179.20110.4G17 A167 C168 R584G17-K170 CarbonylContact O-C 3.57Å; A167-K170 HydrophobicContact CB-CB 4.29Å; A167-K170 HydrophobicContact CB-CD 4.12Å; A167-K170 HydrophobicContact CB-CG 4.45Å; A167-K170 WeakPolarHBondContact O-CB 3.21Å; A167-K170 PolarHBondContact O-N 3.5Å; C168-K170 VanDerWaalsContact C-N 3.33Å; C168-K170 PolarHBondContact O-N 2.98Å; K170-R584 PolarHBondContact O-NH2 3.35Å
171G77.7Confident85.1Confident7 Ų742.7 Ų42.77%0.07221%0.214CC..PPolyproline II helixtrans-59.5150.3174.600000113.2G17G17-G171 WeakPolarHBondContact O-CA 3.26Å; G17-G171 PolarHBondContact O-N 3.26Å
172Q86.9Confident85.4Confident8 Ų839.2 Ų39.24%0.03720%0.198CC..BIsolated β-bridgetrans-74.7130.9-179.3-59.5-170.483.400110.8V18 K20 V174 F189 G193 I583V18-Q172 PolarHBondContact O-N 2.96Å; K20-Q172 PolarHBondContact N-O 3.4Å; Q172-V174 VanDerWaalsContact C-N 3.32Å; Q172-V174 HydrophobicContact CB-CG2 4.18Å; Q172-V174 PolarHBondContact O-N 3.49Å; Q172-V174 VanDerWaalsContact O-N 3.09Å; Q172-F189 PolarHBondContact NE2-O 2.83Å; Q172-F189 VanDerWaalsContact NE2-O 3.1Å; Q172-G193 VanDerWaalsContact NE2-CA 3.35Å; Q172-I583 HydrophobicContact CG-CG2 4.4Å
173P89.6Confident85.4Confident7 Ų740 Ų405%0.04520%0.201CC..  trans-85.171.8175.834.7-34000110.9W162 T175 K176 V177W162-P173 HydrophobicContact CB-CG 3.79Å; W162-P173 HydrophobicContact CG-CG 4.08Å; P173-T175 VanDerWaalsContact C-N 3.32Å; P173-T175 PolarHBondContact O-N 3.46Å; P173-K176 HydrophobicContact CB-CB 4.26Å; P173-K176 HydrophobicContact CB-CD 4.34Å; P173-K176 HydrophobicContact CB-CG 4.4Å; P173-K176 PolarHBondContact O-N 3.42Å; P173-K176 VanDerWaalsContact O-N 3.17Å; P173-V177 WeakPolarHBondContact O-CG2 3.37Å; P173-V177 PolarHBondContact O-N 3.44Å; P173-V177 VanDerWaalsContact O-N 3.07Å
174V88.6Confident85.6Confident2 Ų241.3 Ų41.31%0.01221%0.206CC..Hα-helixtrans-59-39.7-170.8-175.40000112.4V19 Q172 V177 R178 A186 L190 W293V19-V174 HydrophobicContact CG1-CG2 4.4Å; Q172-V174 VanDerWaalsContact C-N 3.32Å; Q172-V174 HydrophobicContact CB-CG2 4.18Å; Q172-V174 PolarHBondContact O-N 3.49Å; Q172-V174 VanDerWaalsContact O-N 3.09Å; V174-V177 WeakPolarHBondContact O-CB 3.43Å; V174-V177 PolarHBondContact O-N 3.4Å; V174-R178 WeakPolarHBondContact O-CB 3.44Å; V174-R178 PolarHBondContact O-N 3.44Å; V174-A186 HydrophobicContact CG1-CB 4.06Å; V174-L190 HydrophobicContact CG1-CB 4.32Å; V174-L190 HydrophobicContact CG2-CD1 4.31Å; V174-W293 HydrophobicContact CG1-CH2 3.94Å; V174-W293 HydrophobicContact CG1-CZ2 3.67Å
175T86.9Confident85.9Confident27 Ų2737.7 Ų37.717%0.16619%0.193CC..Hα-helixtrans-62.2-43.5176.444.60000113.1E21 P173 V177 R178 D179E21-T175 VanDerWaalsContact OE1-CG2 3.27Å; E21-T175 WeakPolarHBondContact OE1-CG2 3.31Å; P173-T175 VanDerWaalsContact C-N 3.32Å; P173-T175 PolarHBondContact O-N 3.46Å; T175-V177 VanDerWaalsContact C-N 3.33Å; T175-V177 PolarHBondContact O-N 2.96Å; T175-R178 WeakPolarHBondContact O-CB 3.28Å; T175-R178 PolarHBondContact O-N 3.3Å; T175-D179 VanDerWaalsContact O-CG 3.27Å; T175-D179 PolarHBondContact O-N 3.06Å
176K88.3Confident86.4Confident60 Ų6032.2 Ų32.226%0.26117%0.173SC..Hα-helixtrans-65.9-37.1175.4-63.7-171.5-180-175.30111.8L158 E161 P173 D179 Y180L158-K176 HydrophobicContact CD2-CB 3.98Å; E161-K176 IonicContact OE1-NZ 3.06Å; E161-K176 PolarHBondContact OE1-NZ 2.97Å; E161-K176 WeakPolarHBondContact OE2-CD 3.28Å; E161-K176 WeakPolarHBondContact OE2-CE 3.33Å; E161-K176 IonicContact OE2-NZ 3.04Å; E161-K176 PolarHBondContact OE2-NZ 3.5Å; P173-K176 HydrophobicContact CB-CB 4.26Å; P173-K176 HydrophobicContact CB-CD 4.34Å; P173-K176 HydrophobicContact CB-CG 4.4Å; P173-K176 PolarHBondContact O-N 3.42Å; P173-K176 VanDerWaalsContact O-N 3.17Å; K176-D179 PolarHBondContact O-N 2.98Å; K176-Y180 WeakPolarHBondContact O-CB 3.36Å; K176-Y180 PolarHBondContact O-N 3.2Å; K176-Y180 VanDerWaalsContact O-N 3.15Å
177V91.2Very high86.9Confident2 Ų227.5 Ų27.51%0.01214%0.14CC..Hα-helixtrans-64-44.5174.11740000110.5L158 W162 P173 V174 T175 Y180 F181 V185 A186 F189L158-V177 HydrophobicContact CD2-CG2 4.33Å; W162-V177 HydrophobicContact CD2-CG2 4.18Å; W162-V177 HydrophobicContact CE3-CG2 3.86Å; W162-V177 HydrophobicContact CH2-CG1 4.3Å; W162-V177 HydrophobicContact CH2-CG2 3.79Å; W162-V177 HydrophobicContact CZ2-CG2 4.09Å; W162-V177 HydrophobicContact CZ3-CG2 3.67Å; P173-V177 WeakPolarHBondContact O-CG2 3.37Å; P173-V177 PolarHBondContact O-N 3.44Å; P173-V177 VanDerWaalsContact O-N 3.07Å; V174-V177 WeakPolarHBondContact O-CB 3.43Å; V174-V177 PolarHBondContact O-N 3.4Å; T175-V177 VanDerWaalsContact C-N 3.33Å; T175-V177 PolarHBondContact O-N 2.96Å; V177-Y180 PolarHBondContact O-N 3.37Å; V177-F181 HydrophobicContact CG1-CD2 4.27Å; V177-F181 PolarHBondContact O-N 3.12Å; V177-V185 HydrophobicContact CG1-CG1 4.22Å; V177-A186 HydrophobicContact CG1-CB 4.41Å; V177-F189 HydrophobicContact CG1-CD2 4.18Å
178R89.8Confident87.6Confident44 Ų4427.5 Ų27.517%0.16614%0.139CC..Hα-helixtrans-57.3-49.5174.6-178.9-158.868-168.1-3.3111.5V174 T175 Y180 G182 E183 A186 W293V174-R178 WeakPolarHBondContact O-CB 3.44Å; V174-R178 PolarHBondContact O-N 3.44Å; T175-R178 WeakPolarHBondContact O-CB 3.28Å; T175-R178 PolarHBondContact O-N 3.3Å; R178-Y180 PolarHBondContact O-N 2.84Å; R178-G182 CarbonylContact O-C 3.59Å; R178-G182 WeakPolarHBondContact O-CA 3.11Å; R178-G182 PolarHBondContact O-N 3.13Å; R178-E183 HydrophobicContact CG-CG 3.91Å; R178-A186 HydrophobicContact CB-CB 3.67Å; R178-A186 HydrophobicContact CG-CB 4.36Å; R178-W293 HydrophobicContact CG-CD2 4.4Å; R178-W293 HydrophobicContact CG-CE3 4.44Å
179D86.8Confident88.4Confident46 Ų4625.2 Ų25.225%0.24612%0.124CC..Hα-helixtrans-66-27.8-176.5-67.9-8.4000112.3T175 K176T175-D179 VanDerWaalsContact O-CG 3.27Å; T175-D179 PolarHBondContact O-N 3.06Å; K176-D179 PolarHBondContact O-N 2.98Å
180Y89.4Confident89.5Confident3 Ų317.5 Ų17.51%0.0128%0.083CC..Hα-helixtrans-91.2-49.6-179.3-166.8-97.4000114H150 E151 K154 L158 K176 V177 R178 R596H150-Y180 VanDerWaalsContact CA-OH 3.24Å; H150-Y180 WeakPolarHBondContact CA-OH 3.46Å; H150-Y180 WeakPolarHBondContact CB-OH 3.34Å; H150-Y180 AromaticContact ND1-CE1 3.91Å; H150-Y180 AromaticContact ND1-CZ 3.82Å; H150-Y180 PolarHBondContact ND1-OH 3.38Å; E151-Y180 HydrophobicContact CB-CE2 4.1Å; E151-Y180 PolarHBondContact N-OH 2.76Å; E151-Y180 VanDerWaalsContact N-OH 3.14Å; K154-Y180 HydrophobicContact CB-CD2 3.78Å; K154-Y180 HydrophobicContact CB-CE2 3.86Å; K154-Y180 HydrophobicContact CD-CD2 4.26Å; L158-Y180 HydrophobicContact CD1-CD1 3.73Å; L158-Y180 HydrophobicContact CD1-CD2 4.2Å; L158-Y180 HydrophobicContact CD1-CE1 4.4Å; L158-Y180 HydrophobicContact CD1-CG 3.62Å; K176-Y180 WeakPolarHBondContact O-CB 3.36Å; K176-Y180 PolarHBondContact O-N 3.2Å; K176-Y180 VanDerWaalsContact O-N 3.15Å; V177-Y180 PolarHBondContact O-N 3.37Å; R178-Y180 PolarHBondContact O-N 2.84Å; Y180-R596 HydrophobicContact CE1-CG 4.29Å; Y180-R596 PolarHBondContact O-NE 2.94Å; Y180-R596 PolarHBondContact O-NH2 2.61Å
181F91.2Very high90.3Very high1 Ų112.9 Ų12.90%0.0046%0.063CC..Hα-helixtrans-104.7-10.9-174.6-70.5-66.9000114.2L158 V177 V185 M590 V591 R596 M597 P599L158-F181 HydrophobicContact CD1-CE2 4.44Å; V177-F181 HydrophobicContact CG1-CD2 4.27Å; V177-F181 PolarHBondContact O-N 3.12Å; F181-V185 HydrophobicContact CB-CB 3.77Å; F181-V185 HydrophobicContact CB-CG1 3.8Å; F181-V185 HydrophobicContact CB-CG2 4.04Å; F181-V185 HydrophobicContact CD2-CG1 4.49Å; F181-V185 HydrophobicContact CG-CG1 4.28Å; F181-M590 HydrophobicContact CZ-CB 4.19Å; F181-M590 WeakPolarHBondContact CZ-O 3.44Å; F181-V591 HydrophobicContact CE2-CG2 3.9Å; F181-V591 HydrophobicContact CZ-CG2 4.06Å; F181-R596 HydrophobicContact CD1-CG 4.47Å; F181-R596 HydrophobicContact CE1-CG 4.3Å; F181-M597 HydrophobicContact CD1-CB 4.28Å; F181-P599 VanDerWaalsContact O-CA 3.27Å; F181-P599 WeakPolarHBondContact O-CA 3.36Å
182G90.8Very high91Very high0 Ų012.6 Ų12.60%06%0.06CC..  trans95.7167.2-176.500000113.7R178 K184 V185 A186R178-G182 CarbonylContact O-C 3.59Å; R178-G182 WeakPolarHBondContact O-CA 3.11Å; R178-G182 PolarHBondContact O-N 3.13Å; G182-K184 PolarHBondContact O-N 3.4Å; G182-V185 PolarHBondContact O-N 3.43Å; G182-A186 PolarHBondContact O-N 2.82Å; G182-A186 VanDerWaalsContact O-N 3.13Å
183E90.5Very high91.2Very high18 Ų1812.4 Ų12.48%0.0846%0.06CC..Hα-helixtrans-62.9-39.8-174.6-64.177.7172.600111.3R178 V185 A186 L187 W293 K600 K601R178-E183 HydrophobicContact CG-CG 3.91Å; E183-V185 PolarHBondContact O-N 2.72Å; E183-A186 PolarHBondContact O-N 3.49Å; E183-L187 WeakPolarHBondContact O-CG 3.15Å; E183-L187 PolarHBondContact O-N 2.87Å; E183-W293 HydrophobicContact CB-CE3 4.27Å; E183-W293 HydrophobicContact CB-CZ3 4.34Å; E183-W293 HydrophobicContact CG-CE3 4.11Å; E183-K600 PolarHBondContact N-O 2.74Å; E183-K601 VanDerWaalsContact CD-CG 3.45Å; E183-K601 HydrophobicContact CG-CG 4.44Å; E183-K601 WeakPolarHBondContact OE1-CG 3.31Å; E183-K601 WeakPolarHBondContact OE2-CG 3.43Å
184K91.3Very high91.3Very high34 Ų3413.2 Ų13.215%0.1486%0.062CC..Hα-helixtrans-61.3-40.5-179.4-165173.9-174.1160.70113.3G182 Y188 E408 L547 K600 T602G182-K184 PolarHBondContact O-N 3.4Å; K184-Y188 PolarHBondContact O-N 2.72Å; K184-E408 IonicContact NZ-OE1 3.85Å; K184-E408 PolarHBondContact NZ-OE1 2.89Å; K184-E408 IonicContact NZ-OE2 3.91Å; K184-L547 HydrophobicContact CB-CD2 4.38Å; K184-L547 HydrophobicContact CD-CD2 4.09Å; K184-L547 HydrophobicContact CG-CD2 3.72Å; K184-K600 HydrophobicContact CB-CB 4.11Å; K184-K600 HydrophobicContact CD-CB 4.27Å; K184-K600 HydrophobicContact CD-CD 4.04Å; K184-K600 PolarHBondContact N-O 3.36Å; K184-K600 VanDerWaalsContact N-O 3.11Å; K184-T602 HydrophobicContact CB-CG2 3.84Å; K184-T602 HydrophobicContact CG-CG2 4.03Å
185V93.3Very high91.6Very high6 Ų613.1 Ų13.14%0.0366%0.062CC..Hα-helixtrans-73.7-38.7176.5176.70000110.5V177 F181 G182 E183 L187 Y188 F189 L547 M590 M597V177-V185 HydrophobicContact CG1-CG1 4.22Å; F181-V185 HydrophobicContact CB-CB 3.77Å; F181-V185 HydrophobicContact CB-CG1 3.8Å; F181-V185 HydrophobicContact CB-CG2 4.04Å; F181-V185 HydrophobicContact CD2-CG1 4.49Å; F181-V185 HydrophobicContact CG-CG1 4.28Å; G182-V185 PolarHBondContact O-N 3.43Å; E183-V185 PolarHBondContact O-N 2.72Å; V185-L187 VanDerWaalsContact C-N 3.35Å; V185-L187 PolarHBondContact O-N 3.27Å; V185-Y188 WeakPolarHBondContact O-CB 3.41Å; V185-Y188 PolarHBondContact O-N 3.11Å; V185-F189 HydrophobicContact CG1-CD2 4Å; V185-F189 HydrophobicContact CG1-CE2 3.83Å; V185-F189 WeakPolarHBondContact O-CD2 3.25Å; V185-F189 PolarHBondContact O-N 3.03Å; V185-L547 HydrophobicContact CG2-CD1 4.42Å; V185-L547 HydrophobicContact CG2-CD2 4.02Å; V185-M590 HydrophobicContact CG1-SD 4.25Å; V185-M597 HydrophobicContact CG2-CE 4.13Å; V185-M597 HydrophobicContact CG2-SD 4.07Å
186A93.6Very high91.8Very high0 Ų012.3 Ų12.30%06%0.057CC..Hα-helixtrans-62.3-41.217600000112.3V174 V177 R178 G182 E183 Y188 F189 L190 W293V174-A186 HydrophobicContact CG1-CB 4.06Å; V177-A186 HydrophobicContact CG1-CB 4.41Å; R178-A186 HydrophobicContact CB-CB 3.67Å; R178-A186 HydrophobicContact CG-CB 4.36Å; G182-A186 PolarHBondContact O-N 2.82Å; G182-A186 VanDerWaalsContact O-N 3.13Å; E183-A186 PolarHBondContact O-N 3.49Å; A186-Y188 VanDerWaalsContact C-N 3.31Å; A186-Y188 PolarHBondContact O-N 3.45Å; A186-F189 PolarHBondContact O-N 3.06Å; A186-L190 VanDerWaalsContact O-CB 3.29Å; A186-L190 WeakPolarHBondContact O-CB 3.42Å; A186-L190 PolarHBondContact O-N 3Å; A186-W293 HydrophobicContact CB-CH2 3.65Å; A186-W293 HydrophobicContact CB-CZ2 4.38Å; A186-W293 HydrophobicContact CB-CZ3 4.13Å
187L93.8Very high91.9Very high0 Ų011.4 Ų11.40%05%0.053CC..Hα-helixtrans-63.9-33.9175.5-71.9-176.1000112.9E183 V185 L190 W191 L286 W293 T602 I605E183-L187 WeakPolarHBondContact O-CG 3.15Å; E183-L187 PolarHBondContact O-N 2.87Å; V185-L187 VanDerWaalsContact C-N 3.35Å; V185-L187 PolarHBondContact O-N 3.27Å; L187-L190 HydrophobicContact CD2-CD2 4.08Å; L187-W191 WeakPolarHBondContact O-CB 3.13Å; L187-W191 PolarHBondContact O-N 2.96Å; L187-L286 HydrophobicContact CD1-CD1 4.13Å; L187-L286 HydrophobicContact CD2-CD1 3.46Å; L187-L286 VanDerWaalsContact CD2-CD1 3.46Å; L187-L286 HydrophobicContact CG-CD1 4.41Å; L187-W293 HydrophobicContact CD2-CE3 4.49Å; L187-W293 HydrophobicContact CD2-CH2 3.87Å; L187-W293 HydrophobicContact CD2-CZ3 3.52Å; L187-W293 HydrophobicContact CG-CH2 4.39Å; L187-W293 HydrophobicContact CG-CZ3 3.82Å; L187-T602 HydrophobicContact CD1-CG2 3.79Å; L187-I605 HydrophobicContact CB-CG2 3.89Å; L187-I605 HydrophobicContact CD1-CG2 4.48Å
188Y94.7Very high92Very high0 Ų013 Ų130%06%0.061CC..Hα-helixtrans-59.5-53.4173.1169.6-106.1000111.3K184 V185 A186 L190 W191 L192 L547 E550 F551 M554 D586 M590K184-Y188 PolarHBondContact O-N 2.72Å; V185-Y188 WeakPolarHBondContact O-CB 3.41Å; V185-Y188 PolarHBondContact O-N 3.11Å; A186-Y188 VanDerWaalsContact C-N 3.31Å; A186-Y188 PolarHBondContact O-N 3.45Å; Y188-L190 VanDerWaalsContact C-N 3.32Å; Y188-L190 PolarHBondContact O-N 3.42Å; Y188-W191 PolarHBondContact O-N 2.83Å; Y188-L192 HydrophobicContact CE1-CD2 4.16Å; Y188-L192 WeakPolarHBondContact O-CB 3.41Å; Y188-L192 PolarHBondContact O-N 2.85Å; Y188-L547 HydrophobicContact CD1-CD1 4.18Å; Y188-L547 HydrophobicContact CD2-CD1 4.48Å; Y188-L547 HydrophobicContact CG-CD1 3.95Å; Y188-E550 HydrophobicContact CE1-CB 4.29Å; Y188-E550 HydrophobicContact CE2-CB 3.87Å; Y188-F551 AromaticContact CD2-CD1 3.84Å; Y188-F551 HydrophobicContact CD2-CD1 3.84Å; Y188-F551 AromaticContact CD2-CD2 3.93Å; Y188-F551 HydrophobicContact CD2-CD2 3.93Å; Y188-F551 AromaticContact CD2-CE1 3.73Å; Y188-F551 HydrophobicContact CD2-CE1 3.73Å; Y188-F551 AromaticContact CD2-CE2 3.82Å; Y188-F551 HydrophobicContact CD2-CE2 3.82Å; Y188-F551 AromaticContact CD2-CG 3.93Å; Y188-F551 HydrophobicContact CD2-CG 3.93Å; Y188-F551 AromaticContact CD2-CZ 3.73Å; Y188-F551 HydrophobicContact CD2-CZ 3.73Å; Y188-F551 HydrophobicContact CE2-CD1 4.44Å; Y188-F551 HydrophobicContact CE2-CG 4.44Å; Y188-F551 HydrophobicContact CG-CE2 4.17Å; Y188-F551 HydrophobicContact CG-CZ 4.12Å; Y188-M554 HydrophobicContact CE2-CG 4.16Å; Y188-D586 WeakPolarHBondContact CE1-OD2 3.42Å; Y188-D586 PolarHBondContact OH-OD2 3.28Å; Y188-M590 HydrophobicContact CE1-CE 4.5Å
189F93.8Very high92.2Very high2 Ų210.9 Ų10.91%0.0095%0.053CC..Hα-helixtrans-68.3-31.7179.7-76.4-70.4000113.4W162 Q172 V177 V185 A186 G193 D586 M590W162-F189 HydrophobicContact CH2-CD1 4.26Å; W162-F189 AromaticContact CH2-CD2 3.78Å; W162-F189 HydrophobicContact CH2-CD2 3.78Å; W162-F189 AromaticContact CH2-CE1 3.92Å; W162-F189 HydrophobicContact CH2-CE1 3.92Å; W162-F189 AromaticContact CH2-CE2 3.41Å; W162-F189 HydrophobicContact CH2-CE2 3.41Å; W162-F189 VanDerWaalsContact CH2-CE2 3.41Å; W162-F189 HydrophobicContact CH2-CG 4.18Å; W162-F189 AromaticContact CH2-CZ 3.46Å; W162-F189 HydrophobicContact CH2-CZ 3.46Å; W162-F189 VanDerWaalsContact CH2-CZ 3.46Å; W162-F189 AromaticContact CZ2-CD1 3.56Å; W162-F189 HydrophobicContact CZ2-CD1 3.56Å; W162-F189 AromaticContact CZ2-CD2 3.8Å; W162-F189 HydrophobicContact CZ2-CD2 3.8Å; W162-F189 AromaticContact CZ2-CE1 3.47Å; W162-F189 HydrophobicContact CZ2-CE1 3.47Å; W162-F189 VanDerWaalsContact CZ2-CE1 3.47Å; W162-F189 AromaticContact CZ2-CE2 3.74Å; W162-F189 HydrophobicContact CZ2-CE2 3.74Å; W162-F189 AromaticContact CZ2-CG 3.7Å; W162-F189 HydrophobicContact CZ2-CG 3.7Å; W162-F189 AromaticContact CZ2-CZ 3.55Å; W162-F189 HydrophobicContact CZ2-CZ 3.55Å; Q172-F189 PolarHBondContact NE2-O 2.83Å; Q172-F189 VanDerWaalsContact NE2-O 3.1Å; V177-F189 HydrophobicContact CG1-CD2 4.18Å; V185-F189 HydrophobicContact CG1-CD2 4Å; V185-F189 HydrophobicContact CG1-CE2 3.83Å; V185-F189 WeakPolarHBondContact O-CD2 3.25Å; V185-F189 PolarHBondContact O-N 3.03Å; A186-F189 PolarHBondContact O-N 3.06Å; F189-G193 PolarHBondContact O-N 3.49Å; F189-D586 HydrophobicContact CE1-CB 3.77Å; F189-D586 HydrophobicContact CZ-CB 3.75Å; F189-M590 HydrophobicContact CE2-CE 4.33Å; F189-M590 HydrophobicContact CE2-SD 3.63Å; F189-M590 HydrophobicContact CZ-CE 4.24Å; F189-M590 HydrophobicContact CZ-SD 3.73Å
190L93.3Very high92.5Very high4 Ų412.2 Ų12.22%0.0216%0.06CC..Hα-helixtrans-63.2-47.7172.2-175.765.8000110.8V174 A186 L187 Y188 G193 W194 W282 F289V174-L190 HydrophobicContact CG1-CB 4.32Å; V174-L190 HydrophobicContact CG2-CD1 4.31Å; A186-L190 VanDerWaalsContact O-CB 3.29Å; A186-L190 WeakPolarHBondContact O-CB 3.42Å; A186-L190 PolarHBondContact O-N 3Å; L187-L190 HydrophobicContact CD2-CD2 4.08Å; Y188-L190 VanDerWaalsContact C-N 3.32Å; Y188-L190 PolarHBondContact O-N 3.42Å; L190-G193 PolarHBondContact O-N 3.21Å; L190-W194 WeakPolarHBondContact O-CB 3.41Å; L190-W194 PolarHBondContact O-N 3.26Å; L190-W282 HydrophobicContact CB-CH2 4.33Å; L190-W282 HydrophobicContact CD2-CH2 4.22Å; L190-W282 HydrophobicContact CG-CH2 4.01Å; L190-W282 HydrophobicContact CG-CZ3 4.09Å; L190-F289 HydrophobicContact CD1-CD2 4Å; L190-F289 HydrophobicContact CD1-CE1 4.35Å; L190-F289 HydrophobicContact CD1-CE2 3.74Å; L190-F289 HydrophobicContact CD1-CG 4.42Å; L190-F289 HydrophobicContact CD1-CZ 3.92Å; L190-F289 HydrophobicContact CD2-CB 3.86Å; L190-F289 HydrophobicContact CD2-CD1 4.23Å; L190-F289 HydrophobicContact CD2-CD2 3.65Å; L190-F289 HydrophobicContact CD2-CE2 4.27Å; L190-F289 HydrophobicContact CD2-CG 3.62Å; L190-F289 HydrophobicContact CG-CD2 4.44Å
191W94.4Very high92.8Very high0 Ų016.7 Ų16.70%08%0.083CC..Hα-helixtrans-63.4-47.4176.4176.376.2000111.8L187 Y188 G193 W194 Y195 F278 W282 M554 V555 L612L187-W191 WeakPolarHBondContact O-CB 3.13Å; L187-W191 PolarHBondContact O-N 2.96Å; Y188-W191 PolarHBondContact O-N 2.83Å; W191-G193 VanDerWaalsContact C-N 3.31Å; W191-G193 PolarHBondContact O-N 3.01Å; W191-W194 PolarHBondContact O-N 3.16Å; W191-Y195 HydrophobicContact CH2-CD1 4.07Å; W191-Y195 HydrophobicContact CZ2-CD1 4.35Å; W191-Y195 VanDerWaalsContact O-CB 3.31Å; W191-Y195 WeakPolarHBondContact O-CB 3.49Å; W191-Y195 PolarHBondContact O-N 2.94Å; W191-F278 AromaticContact NE1-CZ 3.92Å; W191-W282 VanDerWaalsContact CA-CZ3 3.43Å; W191-W282 HydrophobicContact CB-CH2 3.41Å; W191-W282 VanDerWaalsContact CB-CH2 3.41Å; W191-W282 HydrophobicContact CB-CZ2 3.5Å; W191-W282 VanDerWaalsContact CB-CZ2 3.5Å; W191-W282 HydrophobicContact CB-CZ3 4.03Å; W191-W282 AromaticContact CD1-CD2 3.73Å; W191-W282 AromaticContact CD1-CE2 3.44Å; W191-W282 VanDerWaalsContact CD1-CE2 3.44Å; W191-W282 AromaticContact CD1-CZ2 3.69Å; W191-W282 AromaticContact CD1-NE1 3.68Å; W191-W282 HydrophobicContact CG-CH2 4.21Å; W191-W282 AromaticContact CG-CZ2 3.96Å; W191-W282 HydrophobicContact CG-CZ2 3.96Å; W191-W282 VanDerWaalsContact N-CH2 3.33Å; W191-M554 HydrophobicContact CH2-CB 3.55Å; W191-M554 HydrophobicContact CZ3-CB 3.35Å; W191-M554 HydrophobicContact CZ3-CG 4.03Å; W191-V555 HydrophobicContact CH2-CG2 4.33Å; W191-L612 HydrophobicContact CZ2-CD1 4.08Å; W191-L612 HydrophobicContact CZ2-CD2 4.25Å
192L92.9Very high93Very high0 Ų016.6 Ų16.60%08%0.083CC..Hα-helixtrans-63.1-40.1-179.7-174.458.8000111.4Y188 Y195 T196 M554 N579 I583Y188-L192 HydrophobicContact CE1-CD2 4.16Å; Y188-L192 WeakPolarHBondContact O-CB 3.41Å; Y188-L192 PolarHBondContact O-N 2.85Å; L192-Y195 HydrophobicContact CD1-CD1 4.43Å; L192-T196 WeakPolarHBondContact O-CB 3.37Å; L192-T196 PolarHBondContact O-N 2.89Å; L192-T196 PolarHBondContact O-OG1 2.85Å; L192-M554 HydrophobicContact CD1-CG 3.94Å; L192-M554 HydrophobicContact CD1-SD 3.7Å; L192-N579 HydrophobicContact CD1-CB 4.38Å; L192-I583 HydrophobicContact CB-CG1 4.45Å; L192-I583 HydrophobicContact CD2-CB 4.4Å; L192-I583 HydrophobicContact CD2-CG1 3.44Å; L192-I583 VanDerWaalsContact CD2-CG1 3.44Å; L192-I583 HydrophobicContact CG-CD1 4.12Å; L192-I583 HydrophobicContact CG-CG1 3.54Å
193G91.8Very high93.2Very high4 Ų416.9 Ų16.94%0.0419%0.085CC..Hα-helixtrans-62.3-47173.400000112.3Q172 F189 L190 W191 T196 F197Q172-G193 VanDerWaalsContact NE2-CA 3.35Å; F189-G193 PolarHBondContact O-N 3.49Å; L190-G193 PolarHBondContact O-N 3.21Å; W191-G193 VanDerWaalsContact C-N 3.31Å; W191-G193 PolarHBondContact O-N 3.01Å; G193-T196 PolarHBondContact O-N 3.46Å; G193-F197 WeakPolarHBondContact O-CB 3.36Å; G193-F197 PolarHBondContact O-N 2.94Å
194W91.4Very high93.5Very high24 Ų2419.6 Ų19.69%0.09110%0.103CC..Hα-helixtrans-62.5-43.7178.2-174-102.2000112.4L13 L190 W191 F197 L198 F278 F281 W282 H285L13-W194 HydrophobicContact CD1-CE3 3.91Å; L13-W194 HydrophobicContact CD1-CZ3 3.76Å; L13-W194 HydrophobicContact CD2-CE3 4.09Å; L13-W194 HydrophobicContact CD2-CZ3 3.96Å; L13-W194 HydrophobicContact CG-CZ3 4.13Å; L190-W194 WeakPolarHBondContact O-CB 3.41Å; L190-W194 PolarHBondContact O-N 3.26Å; W191-W194 PolarHBondContact O-N 3.16Å; W194-F197 PolarHBondContact O-N 3.48Å; W194-L198 HydrophobicContact CD2-CD1 4.4Å; W194-L198 HydrophobicContact CZ2-CD1 3.72Å; W194-L198 HydrophobicContact CZ2-CG 4.3Å; W194-L198 PolarHBondContact O-N 3.02Å; W194-F278 AromaticContact CD1-CE2 3.81Å; W194-F281 HydrophobicContact CZ2-CB 3.86Å; W194-W282 HydrophobicContact CB-CE3 3.84Å; W194-W282 HydrophobicContact CB-CZ3 3.84Å; W194-W282 AromaticContact CD1-CE3 3.53Å; W194-W282 AromaticContact CG-CE3 3.69Å; W194-W282 HydrophobicContact CG-CE3 3.69Å; W194-W282 HydrophobicContact CG-CZ3 4.15Å; W194-H285 HydrophobicContact CD2-CB 4.47Å; W194-H285 AromaticContact CE3-CD2 3.76Å; W194-H285 AromaticContact CE3-CE1 3.97Å; W194-H285 AromaticContact CE3-CG 3.91Å; W194-H285 AromaticContact CE3-NE2 3.8Å; W194-H285 AromaticContact CZ3-ND1 3.91Å
195Y93.7Very high93.7Very high0 Ų019.5 Ų19.50%010%0.104CC..Hα-helixtrans-60.7-47.3175.2175.9-140000111.9W191 L192 F197 L198 L199 W274 F278 F558 T561 N579W191-Y195 HydrophobicContact CH2-CD1 4.07Å; W191-Y195 HydrophobicContact CZ2-CD1 4.35Å; W191-Y195 VanDerWaalsContact O-CB 3.31Å; W191-Y195 WeakPolarHBondContact O-CB 3.49Å; W191-Y195 PolarHBondContact O-N 2.94Å; L192-Y195 HydrophobicContact CD1-CD1 4.43Å; Y195-F197 VanDerWaalsContact C-N 3.32Å; Y195-F197 PolarHBondContact O-N 3.26Å; Y195-L198 PolarHBondContact O-N 3.23Å; Y195-L199 HydrophobicContact CD1-CD1 4.43Å; Y195-L199 HydrophobicContact CD2-CD1 3.94Å; Y195-L199 HydrophobicContact CD2-CG 3.89Å; Y195-L199 HydrophobicContact CE1-CD1 4.06Å; Y195-L199 HydrophobicContact CE2-CD1 3.48Å; Y195-L199 VanDerWaalsContact CE2-CD1 3.48Å; Y195-L199 HydrophobicContact CE2-CD2 3.8Å; Y195-L199 HydrophobicContact CE2-CG 3.54Å; Y195-L199 HydrophobicContact CG-CD1 4.37Å; Y195-L199 WeakPolarHBondContact O-CB 3.49Å; Y195-L199 VanDerWaalsContact O-CG 3.3Å; Y195-L199 WeakPolarHBondContact O-CG 3.43Å; Y195-L199 PolarHBondContact O-N 2.94Å; Y195-W274 HydrophobicContact CD2-CH2 4.46Å; Y195-W274 HydrophobicContact CE2-CH2 4.23Å; Y195-F278 HydrophobicContact CD2-CE2 4.08Å; Y195-F278 HydrophobicContact CD2-CZ 4.1Å; Y195-F278 HydrophobicContact CG-CZ 4.45Å; Y195-F558 HydrophobicContact CD2-CD2 4.21Å; Y195-F558 AromaticContact CE2-CD2 3.62Å; Y195-F558 HydrophobicContact CE2-CD2 3.62Å; Y195-F558 HydrophobicContact CE2-CE2 4.33Å; Y195-F558 AromaticContact CZ-CD2 3.94Å; Y195-F558 WeakPolarHBondContact OH-CA 3.34Å; Y195-T561 PolarHBondContact OH-OG1 3.06Å; Y195-N579 WeakPolarHBondContact CD1-ND2 3.46Å; Y195-N579 WeakPolarHBondContact CE1-ND2 3.27Å
196T92.8Very high93.7Very high11 Ų1119.2 Ų19.27%0.06710%0.102CC..Hα-helixtrans-61-41.9177.1-53.20000112.1L192 G193 L199 F576 N579 V580 I583L192-T196 WeakPolarHBondContact O-CB 3.37Å; L192-T196 PolarHBondContact O-N 2.89Å; L192-T196 PolarHBondContact O-OG1 2.85Å; G193-T196 PolarHBondContact O-N 3.46Å; T196-L199 PolarHBondContact O-N 3.48Å; T196-F576 HydrophobicContact CG2-CD2 3.84Å; T196-F576 HydrophobicContact CG2-CE2 3.84Å; T196-F576 WeakPolarHBondContact O-CD2 3.36Å; T196-N579 HydrophobicContact CG2-CB 3.94Å; T196-N579 WeakPolarHBondContact OG1-CB 3.46Å; T196-N579 PolarHBondContact OG1-ND2 3.04Å; T196-V580 HydrophobicContact CG2-CG2 3.91Å; T196-I583 HydrophobicContact CG2-CD1 4.4Å
197F90.5Very high93.7Very high41 Ų4122 Ų2218%0.1812%0.116CC..Hα-helixtrans-64.2-49.7178.9173.5-106.8000112L13 M16 V18 G193 W194 Y195 L199 I200L13-F197 HydrophobicContact CD2-CD1 4.01Å; L13-F197 HydrophobicContact CD2-CE1 4.48Å; L13-F197 HydrophobicContact CD2-CG 4.12Å; M16-F197 HydrophobicContact CE-CD2 4.2Å; M16-F197 HydrophobicContact CE-CE1 4.08Å; M16-F197 HydrophobicContact CE-CE2 3.16Å; M16-F197 HydrophobicContact CE-CZ 3.1Å; M16-F197 HydrophobicContact SD-CE2 3.58Å; M16-F197 VanDerWaalsContact SD-CE2 3.58Å; M16-F197 HydrophobicContact SD-CZ 3.92Å; V18-F197 HydrophobicContact CG1-CB 4.38Å; V18-F197 HydrophobicContact CG2-CB 4.08Å; V18-F197 HydrophobicContact CG2-CD2 3.75Å; V18-F197 HydrophobicContact CG2-CG 4.06Å; G193-F197 WeakPolarHBondContact O-CB 3.36Å; G193-F197 PolarHBondContact O-N 2.94Å; W194-F197 PolarHBondContact O-N 3.48Å; Y195-F197 VanDerWaalsContact C-N 3.32Å; Y195-F197 PolarHBondContact O-N 3.26Å; F197-L199 VanDerWaalsContact C-N 3.26Å; F197-L199 PolarHBondContact O-N 2.63Å; F197-I200 HydrophobicContact CD2-CD1 4.04Å; F197-I200 HydrophobicContact CE2-CD1 4.39Å; F197-I200 WeakPolarHBondContact O-CB 3.3Å; F197-I200 VanDerWaalsContact O-CG1 3.31Å; F197-I200 WeakPolarHBondContact O-CG1 3.44Å; F197-I200 PolarHBondContact O-N 3.1Å
198L92.2Very high93.7Very high35 Ų3527.1 Ų27.118%0.18314%0.143CC..Hα-helixtrans-71.3-19-178.3-73.8-177.9000113.7W194 Y195 I200 P202 W274 F278W194-L198 HydrophobicContact CD2-CD1 4.4Å; W194-L198 HydrophobicContact CZ2-CD1 3.72Å; W194-L198 HydrophobicContact CZ2-CG 4.3Å; W194-L198 PolarHBondContact O-N 3.02Å; Y195-L198 PolarHBondContact O-N 3.23Å; L198-I200 PolarHBondContact O-N 2.63Å; L198-P202 WeakPolarHBondContact O-CD 3.41Å; L198-W274 HydrophobicContact CB-CZ2 3.99Å; L198-W274 PolarHBondContact O-NE1 2.86Å; L198-F278 HydrophobicContact CB-CD2 4.17Å; L198-F278 HydrophobicContact CD1-CB 4.48Å; L198-F278 HydrophobicContact CD1-CD2 3.61Å; L198-F278 HydrophobicContact CD1-CE2 4.33Å
199L93.7Very high93.6Very high0 Ų027.7 Ų27.70%015%0.146CC..THydrogen-bonded Turntrans-68.2-19.4172.6-84.4173.9000113.8Y195 T196 F197 L201 P202 A203 W274 P572 A575 F576Y195-L199 HydrophobicContact CD1-CD1 4.43Å; Y195-L199 HydrophobicContact CD2-CD1 3.94Å; Y195-L199 HydrophobicContact CD2-CG 3.89Å; Y195-L199 HydrophobicContact CE1-CD1 4.06Å; Y195-L199 HydrophobicContact CE2-CD1 3.48Å; Y195-L199 VanDerWaalsContact CE2-CD1 3.48Å; Y195-L199 HydrophobicContact CE2-CD2 3.8Å; Y195-L199 HydrophobicContact CE2-CG 3.54Å; Y195-L199 HydrophobicContact CG-CD1 4.37Å; Y195-L199 WeakPolarHBondContact O-CB 3.49Å; Y195-L199 VanDerWaalsContact O-CG 3.3Å; Y195-L199 WeakPolarHBondContact O-CG 3.43Å; Y195-L199 PolarHBondContact O-N 2.94Å; T196-L199 PolarHBondContact O-N 3.48Å; F197-L199 VanDerWaalsContact C-N 3.26Å; F197-L199 PolarHBondContact O-N 2.63Å; L199-L201 VanDerWaalsContact C-N 3.31Å; L199-L201 PolarHBondContact O-N 3.29Å; L199-P202 WeakPolarHBondContact O-CD 3.47Å; L199-A203 VanDerWaalsContact O-CB 3.31Å; L199-A203 WeakPolarHBondContact O-CB 3.44Å; L199-A203 PolarHBondContact O-N 3.37Å; L199-W274 HydrophobicContact CD2-CH2 4.02Å; L199-W274 HydrophobicContact CD2-CZ2 4.31Å; L199-W274 HydrophobicContact CG-CH2 4.47Å; L199-P572 HydrophobicContact CD2-CB 4Å; L199-A575 HydrophobicContact CD1-CB 4.08Å; L199-F576 HydrophobicContact CB-CB 4.31Å; L199-F576 HydrophobicContact CB-CD2 4.46Å
200I93.8Very high93.5Very high73 Ų7330 Ų3037%0.37416%0.156SC..Hα-helixtrans-57.4-45.9-179.5-65.5171.1000110.7F197 L198 A203 V204 F576F197-I200 HydrophobicContact CD2-CD1 4.04Å; F197-I200 HydrophobicContact CE2-CD1 4.39Å; F197-I200 WeakPolarHBondContact O-CB 3.3Å; F197-I200 VanDerWaalsContact O-CG1 3.31Å; F197-I200 WeakPolarHBondContact O-CG1 3.44Å; F197-I200 PolarHBondContact O-N 3.1Å; L198-I200 PolarHBondContact O-N 2.63Å; I200-A203 PolarHBondContact O-N 3.18Å; I200-V204 HydrophobicContact CG2-CG2 4.46Å; I200-V204 WeakPolarHBondContact O-CG2 3.42Å; I200-V204 PolarHBondContact O-N 3.47Å; I200-F576 HydrophobicContact CD1-CE2 4.1Å; I200-F576 HydrophobicContact CG1-CD2 3.98Å; I200-F576 HydrophobicContact CG1-CE2 3.49Å; I200-F576 VanDerWaalsContact CG1-CE2 3.49Å; I200-F576 HydrophobicContact CG1-CZ 4.12Å
201L94.6Very high93.4Very high97 Ų9734 Ų3451%0.50818%0.177SC..Hα-helixtrans-63.9-52.7-178.3175.869.7000112.2L199 A203 V204 I205 F270L199-L201 VanDerWaalsContact C-N 3.31Å; L199-L201 PolarHBondContact O-N 3.29Å; L201-A203 VanDerWaalsContact C-N 3.3Å; L201-A203 PolarHBondContact O-N 3.09Å; L201-V204 PolarHBondContact O-N 3.1Å; L201-I205 HydrophobicContact CD1-CD1 3.89Å; L201-I205 HydrophobicContact CD1-CG1 4.37Å; L201-I205 HydrophobicContact CG-CD1 4.06Å; L201-I205 WeakPolarHBondContact O-CG1 3.03Å; L201-I205 PolarHBondContact O-N 3.13Å; L201-F270 HydrophobicContact CD2-CE2 4.11Å; L201-F270 HydrophobicContact CD2-CZ 3.86Å; L201-F270 HydrophobicContact CG-CE2 4.44Å; L201-F270 HydrophobicContact CG-CZ 3.88Å
202P95.6Very high93.2Very high0 Ų039.5 Ų39.50%020%0.199CC..Hα-helixtrans-52-41.8168.5-31.436.1000115.2L198 L199 I205 G206 F267 F270 M271 W274 P572L198-P202 WeakPolarHBondContact O-CD 3.41Å; L199-P202 WeakPolarHBondContact O-CD 3.47Å; P202-I205 PolarHBondContact O-N 3.2Å; P202-G206 PolarHBondContact O-N 3.46Å; P202-F267 WeakPolarHBondContact O-CE2 3.42Å; P202-F270 HydrophobicContact CB-CE1 4.29Å; P202-F270 HydrophobicContact CG-CE1 4.05Å; P202-F270 HydrophobicContact CG-CZ 4.42Å; P202-M271 HydrophobicContact CB-SD 3.61Å; P202-M271 HydrophobicContact CG-SD 3.89Å; P202-W274 HydrophobicContact CG-CD2 3.69Å; P202-W274 VanDerWaalsContact CG-CE2 3.42Å; P202-W274 HydrophobicContact CG-CE3 4.39Å; P202-W274 HydrophobicContact CG-CG 3.85Å; P202-W274 HydrophobicContact CG-CZ2 3.96Å; P202-W274 VanDerWaalsContact CG-NE1 3.34Å; P202-P572 HydrophobicContact CB-CB 3.66Å; P202-P572 HydrophobicContact CB-CG 3.99Å
203A95.7Very high93Very high5 Ų539.6 Ų39.64%0.04120%0.2CC..Hα-helixtrans-64.6-43.1-179.600000111.3L199 I200 L201 G206 I207 L573L199-A203 VanDerWaalsContact O-CB 3.31Å; L199-A203 WeakPolarHBondContact O-CB 3.44Å; L199-A203 PolarHBondContact O-N 3.37Å; I200-A203 PolarHBondContact O-N 3.18Å; L201-A203 VanDerWaalsContact C-N 3.3Å; L201-A203 PolarHBondContact O-N 3.09Å; A203-G206 PolarHBondContact O-N 3.03Å; A203-I207 WeakPolarHBondContact O-CD1 3.29Å; A203-I207 VanDerWaalsContact O-CG1 3.25Å; A203-I207 WeakPolarHBondContact O-CG1 3.37Å; A203-I207 PolarHBondContact O-N 3.26Å; A203-L573 HydrophobicContact CB-CB 4.25Å; A203-L573 HydrophobicContact CB-CD1 4.38Å
204V96.1Very high92.8Very high75 Ų7543.3 Ų43.346%0.45522%0.219SC..Hα-helixtrans-63.7-49.8176.6172.10000111I200 L201 G206 I207 L208I200-V204 HydrophobicContact CG2-CG2 4.46Å; I200-V204 WeakPolarHBondContact O-CG2 3.42Å; I200-V204 PolarHBondContact O-N 3.47Å; L201-V204 PolarHBondContact O-N 3.1Å; V204-G206 VanDerWaalsContact C-N 3.32Å; V204-G206 PolarHBondContact O-N 3.26Å; V204-I207 PolarHBondContact O-N 3.07Å; V204-L208 HydrophobicContact CG1-CD1 4.33Å; V204-L208 WeakPolarHBondContact O-CG 3.4Å; V204-L208 PolarHBondContact O-N 3.11Å
205I95.4Very high92.7Very high33 Ų3346.9 Ų46.917%0.16925%0.247CC..Hα-helixtrans-63.7-40.6179.6-63.1170.3000110.6L201 P202 I207 L208 V209 F267 F270L201-I205 HydrophobicContact CD1-CD1 3.89Å; L201-I205 HydrophobicContact CD1-CG1 4.37Å; L201-I205 HydrophobicContact CG-CD1 4.06Å; L201-I205 WeakPolarHBondContact O-CG1 3.03Å; L201-I205 PolarHBondContact O-N 3.13Å; P202-I205 PolarHBondContact O-N 3.2Å; I205-I207 VanDerWaalsContact C-N 3.34Å; I205-I207 PolarHBondContact O-N 2.95Å; I205-L208 WeakPolarHBondContact O-CB 3.5Å; I205-L208 PolarHBondContact O-N 3.25Å; I205-L208 VanDerWaalsContact O-N 3.16Å; I205-V209 HydrophobicContact CG2-CG2 4.41Å; I205-V209 WeakPolarHBondContact O-CG2 3.43Å; I205-V209 PolarHBondContact O-N 3.39Å; I205-F267 HydrophobicContact CB-CD2 4.31Å; I205-F267 HydrophobicContact CB-CE2 4.09Å; I205-F267 HydrophobicContact CG2-CD2 3.66Å; I205-F267 HydrophobicContact CG2-CE2 3.96Å; I205-F270 HydrophobicContact CD1-CD1 4.15Å; I205-F270 HydrophobicContact CD1-CD2 4.01Å; I205-F270 HydrophobicContact CD1-CE1 3.78Å; I205-F270 HydrophobicContact CD1-CE2 3.61Å; I205-F270 HydrophobicContact CD1-CG 4.28Å; I205-F270 HydrophobicContact CD1-CZ 3.5Å
206G94.1Very high92.2Very high0 Ų051.4 Ų51.40%027%0.265CS..Hα-helixtrans-60.5-40.7175.900000112.8P202 A203 V204 V209 F210P202-G206 PolarHBondContact O-N 3.46Å; A203-G206 PolarHBondContact O-N 3.03Å; V204-G206 VanDerWaalsContact C-N 3.32Å; V204-G206 PolarHBondContact O-N 3.26Å; G206-V209 PolarHBondContact O-N 2.63Å; G206-F210 WeakPolarHBondContact O-CB 3.42Å; G206-F210 PolarHBondContact O-N 3.41Å
207I94.2Very high91.8Very high59 Ų5952.7 Ų52.730%0.30327%0.27SS..Hα-helixtrans-62.6-45.8172.5-70.3163.4000110.6A203 V204 I205 V209 F210 L211 L570 L573A203-I207 WeakPolarHBondContact O-CD1 3.29Å; A203-I207 VanDerWaalsContact O-CG1 3.25Å; A203-I207 WeakPolarHBondContact O-CG1 3.37Å; A203-I207 PolarHBondContact O-N 3.26Å; V204-I207 PolarHBondContact O-N 3.07Å; I205-I207 VanDerWaalsContact C-N 3.34Å; I205-I207 PolarHBondContact O-N 2.95Å; I207-V209 VanDerWaalsContact C-N 3.33Å; I207-V209 PolarHBondContact O-N 3.24Å; I207-F210 WeakPolarHBondContact O-CB 3.36Å; I207-F210 PolarHBondContact O-N 3.04Å; I207-L211 HydrophobicContact CG2-CD1 3.8Å; I207-L211 HydrophobicContact CG2-CG 4.13Å; I207-L211 WeakPolarHBondContact O-CB 3.14Å; I207-L211 VanDerWaalsContact O-CG 3.3Å; I207-L211 WeakPolarHBondContact O-CG 3.34Å; I207-L211 PolarHBondContact O-N 2.76Å; I207-L570 HydrophobicContact CG1-CD2 4.26Å; I207-L573 HydrophobicContact CD1-CD1 4.03Å; I207-L573 HydrophobicContact CD1-CD2 4.03Å; I207-L573 HydrophobicContact CG1-CD2 3.99Å
208L93.9Very high91.4Very high106 Ų10655.5 Ų55.556%0.55529%0.287SS*.Hα-helixtrans-60.6-42.8179.5-68.4173.8000111.8V204 I205 F210 L211 Y212V204-L208 HydrophobicContact CG1-CD1 4.33Å; V204-L208 WeakPolarHBondContact O-CG 3.4Å; V204-L208 PolarHBondContact O-N 3.11Å; I205-L208 WeakPolarHBondContact O-CB 3.5Å; I205-L208 PolarHBondContact O-N 3.25Å; I205-L208 VanDerWaalsContact O-N 3.16Å; L208-F210 VanDerWaalsContact C-N 3.34Å; L208-L211 PolarHBondContact O-N 3.45Å; L208-Y212 WeakPolarHBondContact O-CB 3.46Å; L208-Y212 PolarHBondContact O-N 3.38Å
209V92.7Very high90.9Very high13 Ų1357.9 Ų57.98%0.07931%0.306CS..Hα-helixtrans-65.3-38.8176.4171.30000111.5I205 G206 I207 Y212 G213 T264 F267I205-V209 HydrophobicContact CG2-CG2 4.41Å; I205-V209 WeakPolarHBondContact O-CG2 3.43Å; I205-V209 PolarHBondContact O-N 3.39Å; G206-V209 PolarHBondContact O-N 2.63Å; I207-V209 VanDerWaalsContact C-N 3.33Å; I207-V209 PolarHBondContact O-N 3.24Å; V209-Y212 WeakPolarHBondContact O-CB 2.99Å; V209-Y212 PolarHBondContact O-N 3.38Å; V209-G213 PolarHBondContact O-N 2.76Å; V209-T264 HydrophobicContact CG1-CG2 3.73Å; V209-F267 HydrophobicContact CG2-CB 4.3Å
210F90.9Very high90.5Very high49 Ų4958 Ų5822%0.21531%0.307CS..Hα-helixtrans-65.5-44.6175-179.3-97000112.2G206 I207 L208 Y212 G213 L214 L258 F259 L570G206-F210 WeakPolarHBondContact O-CB 3.42Å; G206-F210 PolarHBondContact O-N 3.41Å; I207-F210 WeakPolarHBondContact O-CB 3.36Å; I207-F210 PolarHBondContact O-N 3.04Å; L208-F210 VanDerWaalsContact C-N 3.34Å; F210-Y212 VanDerWaalsContact C-N 3.32Å; F210-Y212 PolarHBondContact O-N 2.98Å; F210-G213 PolarHBondContact O-N 3.18Å; F210-L214 PolarHBondContact O-N 3.49Å; F210-L258 HydrophobicContact CD2-CD1 4.24Å; F210-L258 HydrophobicContact CD2-CD2 4.19Å; F210-L258 HydrophobicContact CD2-CG 4.04Å; F210-L258 HydrophobicContact CE2-CD1 4.08Å; F210-L258 HydrophobicContact CE2-CD2 3.34Å; F210-L258 HydrophobicContact CE2-CG 3.7Å; F210-L258 HydrophobicContact CZ-CD1 4.45Å; F210-L258 HydrophobicContact CZ-CD2 3.76Å; F210-L258 HydrophobicContact CZ-CG 4.39Å; F210-F259 AromaticContact CD2-CE1 3.83Å; F210-F259 HydrophobicContact CD2-CE1 3.83Å; F210-F259 HydrophobicContact CD2-CZ 4.49Å; F210-F259 AromaticContact CE2-CE1 3.79Å; F210-F259 HydrophobicContact CE2-CE1 3.79Å; F210-F259 AromaticContact CE2-CZ 3.99Å; F210-F259 HydrophobicContact CE2-CZ 3.99Å; F210-L570 HydrophobicContact CB-CD2 3.82Å; F210-L570 HydrophobicContact CB-CG 4.2Å; F210-L570 HydrophobicContact CD1-CD1 4.28Å; F210-L570 HydrophobicContact CD1-CD2 4.5Å; F210-L570 HydrophobicContact CD2-CD1 3.58Å; F210-L570 HydrophobicContact CD2-CD2 4.4Å; F210-L570 HydrophobicContact CD2-CG 3.96Å; F210-L570 HydrophobicContact CE1-CD1 4.4Å; F210-L570 HydrophobicContact CE2-CD1 3.69Å; F210-L570 HydrophobicContact CG-CD1 3.87Å; F210-L570 HydrophobicContact CG-CD2 4Å; F210-L570 HydrophobicContact CG-CG 4.08Å; F210-L570 HydrophobicContact CZ-CD1 4.11Å
211L91.4Very high90.1Very high89 Ų8955 Ų5547%0.46629%0.292SS..Hα-helixtrans-64.5-36.5176.2-69.3175.9000111.9I207 L208 L214 S215I207-L211 HydrophobicContact CG2-CD1 3.8Å; I207-L211 HydrophobicContact CG2-CG 4.13Å; I207-L211 WeakPolarHBondContact O-CB 3.14Å; I207-L211 VanDerWaalsContact O-CG 3.3Å; I207-L211 WeakPolarHBondContact O-CG 3.34Å; I207-L211 PolarHBondContact O-N 2.76Å; L208-L211 PolarHBondContact O-N 3.45Å; L211-L214 WeakPolarHBondContact O-CB 3.29Å; L211-L214 PolarHBondContact O-N 3.38Å; L211-S215 PolarHBondContact O-N 3.09Å
212Y90.3Very high89.6Confident115 Ų11551.4 Ų51.445%0.45127%0.274SS..Hα-helixtrans-59.3-48.4171.7171.6-100000111.4L208 V209 F210 L214 S215 Y216L208-Y212 WeakPolarHBondContact O-CB 3.46Å; L208-Y212 PolarHBondContact O-N 3.38Å; V209-Y212 WeakPolarHBondContact O-CB 2.99Å; V209-Y212 PolarHBondContact O-N 3.38Å; F210-Y212 VanDerWaalsContact C-N 3.32Å; F210-Y212 PolarHBondContact O-N 2.98Å; Y212-L214 VanDerWaalsContact C-N 3.29Å; Y212-L214 PolarHBondContact O-N 3.01Å; Y212-S215 PolarHBondContact O-N 2.71Å; Y212-Y216 WeakPolarHBondContact O-CB 3.4Å; Y212-Y216 PolarHBondContact O-N 3.09Å; Y212-Y216 VanDerWaalsContact O-N 3.12Å
213G88.1Confident89.2Confident3 Ų351.8 Ų51.83%0.03128%0.276CS..Hα-helixtrans-59.6-40174.200000112.5V209 F210 S215 Y216 F217V209-G213 PolarHBondContact O-N 2.76Å; F210-G213 PolarHBondContact O-N 3.18Å; G213-S215 VanDerWaalsContact C-N 3.33Å; G213-S215 PolarHBondContact O-N 2.89Å; G213-Y216 PolarHBondContact O-N 3.07Å; G213-F217 PolarHBondContact O-N 3.34Å
214L88.9Confident88.9Confident82 Ų8255.8 Ų55.843%0.42929%0.294SS..Hα-helixtrans-65.3-34.9177.9-163.375000112.2F210 L211 Y212 F217 L258F210-L214 PolarHBondContact O-N 3.49Å; L211-L214 WeakPolarHBondContact O-CB 3.29Å; L211-L214 PolarHBondContact O-N 3.38Å; Y212-L214 VanDerWaalsContact C-N 3.29Å; Y212-L214 PolarHBondContact O-N 3.01Å; L214-F217 HydrophobicContact CD1-CD1 4.3Å; L214-F217 HydrophobicContact CD1-CE1 3.62Å; L214-F217 HydrophobicContact CG-CE1 3.98Å; L214-F217 WeakPolarHBondContact O-CD1 3.35Å; L214-F217 WeakPolarHBondContact O-CE1 3.43Å; L214-L258 HydrophobicContact CB-CD1 4.11Å; L214-L258 HydrophobicContact CD1-CD1 4.29Å; L214-L258 VanDerWaalsContact N-CD1 3.34Å
215S87.7Confident88.5Confident98 Ų9854.2 Ų54.269%0.68528%0.282SS*.Hα-helixtrans-74.9-30.1176.6-1700000112.7L211 Y212 G213L211-S215 PolarHBondContact O-N 3.09Å; Y212-S215 PolarHBondContact O-N 2.71Å; G213-S215 VanDerWaalsContact C-N 3.33Å; G213-S215 PolarHBondContact O-N 2.89Å
216Y84.6Confident88.2Confident95 Ų9553.2 Ų53.237%0.37328%0.277SS..Hα-helixtrans-90.6-24.3-170.1-171.2-101.8000114.2Y212 G213 N218 S219 S220 L257Y212-Y216 WeakPolarHBondContact O-CB 3.4Å; Y212-Y216 PolarHBondContact O-N 3.09Å; Y212-Y216 VanDerWaalsContact O-N 3.12Å; G213-Y216 PolarHBondContact O-N 3.07Å; Y216-N218 VanDerWaalsContact C-N 3.35Å; Y216-N218 PolarHBondContact O-N 2.91Å; Y216-S219 PolarHBondContact O-N 3.07Å; Y216-S220 PolarHBondContact O-N 3.38Å; Y216-L257 HydrophobicContact CD1-CD2 4.44Å
217F83.1Confident87.9Confident38 Ų3855 Ų5517%0.16729%0.289CS..THydrogen-bonded Turntrans-65.4-29.7-167.974.4-96.8000115.4G213 L214 K254 L257G213-F217 PolarHBondContact O-N 3.34Å; L214-F217 HydrophobicContact CD1-CD1 4.3Å; L214-F217 HydrophobicContact CD1-CE1 3.62Å; L214-F217 HydrophobicContact CG-CE1 3.98Å; L214-F217 WeakPolarHBondContact O-CD1 3.35Å; L214-F217 WeakPolarHBondContact O-CE1 3.43Å; F217-K254 HydrophobicContact CD2-CB 4.43Å; F217-K254 HydrophobicContact CD2-CD 4.15Å; F217-K254 HydrophobicContact CD2-CG 4.09Å; F217-K254 HydrophobicContact CE2-CD 4.23Å; F217-L257 HydrophobicContact CB-CD2 4.27Å
218N82Confident87.7Confident100 Ų10059.4 Ų59.454%0.53531%0.308SS..THydrogen-bonded Turntrans-74.3-28.5179.1-79.5-34.2000112.8Y216 Q224Y216-N218 VanDerWaalsContact C-N 3.35Å; Y216-N218 PolarHBondContact O-N 2.91Å; N218-Q224 PolarHBondContact O-NE2 3.38Å
219S82.4Confident87.4Confident86 Ų8655.2 Ų55.260%0.60129%0.288SS*.THydrogen-bonded Turntrans-95.4-3.4-177.6-56.40000113Y216Y216-S219 PolarHBondContact O-N 3.07Å
220S85.1Confident87.1Confident1 Ų161.1 Ų61.11%0.00732%0.319CS..  trans-76.1127.1-176.2-178.90000111.4Y216 L222 V223 Q224 L257Y216-S220 PolarHBondContact O-N 3.38Å; S220-L222 PolarHBondContact O-N 3.36Å; S220-V223 PolarHBondContact O-N 2.99Å; S220-Q224 PolarHBondContact O-N 3.13Å; S220-L257 VanDerWaalsContact OG-CD2 3.28Å; S220-L257 WeakPolarHBondContact OG-CD2 3.35Å
221P84.6Confident86.9Confident11 Ų1160.8 Ų60.87%0.07132%0.321CS..Hα-helixtrans-61.5-30.3178.327.3-37.2000112V223 Q224 E225 D655 M657P221-V223 VanDerWaalsContact C-N 3.34Å; P221-V223 PolarHBondContact O-N 3.41Å; P221-Q224 PolarHBondContact O-N 2.87Å; P221-E225 WeakPolarHBondContact O-CB 3.21Å; P221-E225 WeakPolarHBondContact O-CG 3.32Å; P221-E225 PolarHBondContact O-N 3.28Å; P221-D655 HydrophobicContact CB-CB 4.42Å; P221-D655 WeakPolarHBondContact CD-OD2 3.13Å; P221-D655 HydrophobicContact CG-CB 4.08Å; P221-D655 WeakPolarHBondContact CG-OD2 3.42Å; P221-M657 HydrophobicContact CG-CB 3.88Å
222L85.4Confident86.8Confident22 Ų2258.6 Ų58.612%0.11531%0.311CS..Hα-helixtrans-63-38.7179.1-62.4173.7000112.7S220 V226 M657 Y660S220-L222 PolarHBondContact O-N 3.36Å; L222-V226 WeakPolarHBondContact O-CG2 3.37Å; L222-V226 PolarHBondContact O-N 3.03Å; L222-M657 HydrophobicContact CD2-CB 4.37Å; L222-M657 HydrophobicContact CD2-CE 4.12Å; L222-Y660 HydrophobicContact CD2-CD1 3.43Å; L222-Y660 VanDerWaalsContact CD2-CD1 3.43Å; L222-Y660 HydrophobicContact CD2-CE1 4.32Å; L222-Y660 HydrophobicContact CD2-CG 3.85Å
223V87.3Confident86.7Confident8 Ų853.4 Ų53.45%0.04829%0.291CS..Hα-helixtrans-76-40.3179.7171.80000109.8S220 P221 V226 C227 K254 L257S220-V223 PolarHBondContact O-N 2.99Å; P221-V223 VanDerWaalsContact C-N 3.34Å; P221-V223 PolarHBondContact O-N 3.41Å; V223-V226 PolarHBondContact O-N 2.88Å; V223-C227 WeakPolarHBondContact O-CB 3.38Å; V223-C227 PolarHBondContact O-N 2.83Å; V223-C227 PolarHBondContact O-SG 3.41Å; V223-K254 HydrophobicContact CG1-CD 4.45Å; V223-K254 HydrophobicContact CG1-CG 3.65Å; V223-L257 HydrophobicContact CG2-CB 4.32Å; V223-L257 HydrophobicContact CG2-CD2 3.56Å
224Q88.3Confident86.6Confident88 Ų8853.7 Ų53.741%0.41129%0.293SS..Hα-helixtrans-59.4-47.4176.3-69.1176.2-7.700110.7N218 S220 P221 V226 C227 E228N218-Q224 PolarHBondContact O-NE2 3.38Å; S220-Q224 PolarHBondContact O-N 3.13Å; P221-Q224 PolarHBondContact O-N 2.87Å; Q224-V226 PolarHBondContact O-N 3.27Å; Q224-C227 PolarHBondContact O-N 3.14Å; Q224-E228 WeakPolarHBondContact O-CB 3.27Å; Q224-E228 WeakPolarHBondContact O-CG 3.19Å; Q224-E228 PolarHBondContact O-N 3.35Å
225E87.9Confident86.3Confident43 Ų4349.8 Ų49.820%0.20127%0.272CS..Hα-helixtrans-56.3-44.7175.6-78.6174.9-153.700113.1P221 S229 S658 G659 Y660 I661P221-E225 WeakPolarHBondContact O-CB 3.21Å; P221-E225 WeakPolarHBondContact O-CG 3.32Å; P221-E225 PolarHBondContact O-N 3.28Å; E225-S229 WeakPolarHBondContact O-CB 3.31Å; E225-S229 PolarHBondContact O-N 3.39Å; E225-S229 VanDerWaalsContact O-N 3.17Å; E225-S229 PolarHBondContact O-OG 2.96Å; E225-S658 VanDerWaalsContact OE1-CA 3.25Å; E225-S658 WeakPolarHBondContact OE1-CA 3.47Å; E225-G659 PolarHBondContact OE1-N 3.49Å; E225-Y660 PolarHBondContact OE2-N 3.48Å; E225-I661 HydrophobicContact CB-CB 4.28Å; E225-I661 HydrophobicContact CB-CG1 3.97Å; E225-I661 WeakPolarHBondContact OE2-CB 3.38Å; E225-I661 WeakPolarHBondContact OE2-CG1 3.24Å; E225-I661 PolarHBondContact OE2-N 3.43Å
226V88.5Confident85.8Confident12 Ų1248.8 Ų48.87%0.07326%0.259CS..Hα-helixtrans-67.3-46.4178.3172.80000111.1L222 V223 Q224 E228 S229 L246 S247 A253 I661L222-V226 WeakPolarHBondContact O-CG2 3.37Å; L222-V226 PolarHBondContact O-N 3.03Å; V223-V226 PolarHBondContact O-N 2.88Å; Q224-V226 PolarHBondContact O-N 3.27Å; V226-E228 PolarHBondContact O-N 3.27Å; V226-S229 PolarHBondContact O-OG 2.8Å; V226-L246 HydrophobicContact CG1-CD1 4.4Å; V226-L246 HydrophobicContact CG1-CG 4.19Å; V226-S247 WeakPolarHBondContact O-CA 3.41Å; V226-A253 HydrophobicContact CB-CB 4.19Å; V226-A253 HydrophobicContact CG1-CB 3.8Å; V226-A253 HydrophobicContact CG2-CB 4.35Å; V226-I661 HydrophobicContact CG2-CD1 3.87Å; V226-I661 HydrophobicContact CG2-CG1 3.99Å
227C89.6Confident85.4Confident38 Ų3846.1 Ų46.126%0.25725%0.254SS..Hα-helixtrans-72.8-26.8-174-61.30000113.4V223 Q224 C250V223-C227 WeakPolarHBondContact O-CB 3.38Å; V223-C227 PolarHBondContact O-N 2.83Å; V223-C227 PolarHBondContact O-SG 3.41Å; Q224-C227 PolarHBondContact O-N 3.14Å; C227-C250 HydrophobicContact CB-CB 3.87Å; C227-C250 WeakPolarHBondContact CB-SG 3.43Å; C227-C250 WeakPolarHBondContact SG-CB 3.38Å; C227-C250 CovalentContact SG-SG 2.04Å; C227-C250 PolarHBondContact SG-SG 3.18Å
228E89.9Confident84.8Confident151 Ų15147.2 Ų47.271%0.70626%0.261SS*.Hα-helixtrans-99.2-4-179.6-63.7177-178.400113.3Q224 V226Q224-E228 WeakPolarHBondContact O-CB 3.27Å; Q224-E228 WeakPolarHBondContact O-CG 3.19Å; Q224-E228 PolarHBondContact O-N 3.35Å; V226-E228 PolarHBondContact O-N 3.27Å
229S86.1Confident84.2Confident17 Ų1752.7 Ų52.712%0.11927%0.274CS..  trans-75.7134.4-17860.30000114.2E225 V226 T231 L246E225-S229 WeakPolarHBondContact O-CB 3.31Å; E225-S229 PolarHBondContact O-N 3.39Å; E225-S229 VanDerWaalsContact O-N 3.17Å; E225-S229 PolarHBondContact O-OG 2.96Å; V226-S229 PolarHBondContact O-OG 2.8Å; S229-T231 VanDerWaalsContact C-N 3.33Å; S229-L246 WeakPolarHBondContact OG-CB 3.39Å; S229-L246 WeakPolarHBondContact OG-CD2 3.44Å; S229-L246 WeakPolarHBondContact OG-CG 3.36Å
230D87.1Confident83.7Confident138 Ų13853.6 Ų53.674%0.73828%0.276SS*.  trans-92.612.8169-74.8-40.4000113V232D230-V232 PolarHBondContact O-N 2.94Å
231T87.6Confident83.3Confident41 Ų4155.5 Ų55.525%0.25229%0.289SS..PPolyproline II helixtrans-69.1125.1-176.1-49.50000111.6S229 M233 L246 L665 S693S229-T231 VanDerWaalsContact C-N 3.33Å; T231-M233 HydrophobicContact CG2-CE 3.71Å; T231-L246 PolarHBondContact O-N 3.24Å; T231-L665 HydrophobicContact CG2-CD1 4.29Å; T231-S693 VanDerWaalsContact CG2-OG 3.3Å; T231-S693 WeakPolarHBondContact CG2-OG 3.44Å
232V89.1Confident83.2Confident44 Ų4461 Ų6127%0.26731%0.312SS..EExtended strand (participates in β ladder)trans-83.7129.4177.2-178.20000110.4D230 V243 A689 S693D230-V232 PolarHBondContact O-N 2.94Å; V232-V243 HydrophobicContact CG1-CB 3.66Å; V232-V243 HydrophobicContact CG1-CG1 4.25Å; V232-V243 HydrophobicContact CG1-CG2 3.87Å; V232-A689 HydrophobicContact CG1-CB 4.07Å; V232-S693 PolarHBondContact O-N 3.2Å
233M86.8Confident83.2Confident6 Ų660.2 Ų60.23%0.0331%0.308CS..EExtended strand (participates in β ladder)trans-103.4149-177.4-66-71.2156.200112.3T231 V243 W244 L246 L665 S693T231-M233 HydrophobicContact CG2-CE 3.71Å; M233-V243 WeakPolarHBondContact O-CA 3.17Å; M233-V243 WeakPolarHBondContact O-CB 3.38Å; M233-W244 HydrophobicContact CB-CD2 3.73Å; M233-W244 HydrophobicContact CB-CE3 4.03Å; M233-W244 HydrophobicContact CB-CG 4.36Å; M233-W244 HydrophobicContact CB-CH2 3.48Å; M233-W244 VanDerWaalsContact CB-CH2 3.48Å; M233-W244 HydrophobicContact CB-CZ2 3.26Å; M233-W244 HydrophobicContact CB-CZ3 3.91Å; M233-W244 HydrophobicContact CG-CD2 4.4Å; M233-W244 HydrophobicContact CG-CE3 4.19Å; M233-W244 HydrophobicContact CG-CH2 3.38Å; M233-W244 HydrophobicContact CG-CZ2 3.74Å; M233-W244 HydrophobicContact CG-CZ3 3.68Å; M233-W244 PolarHBondContact N-O 3.29Å; M233-W244 PolarHBondContact O-N 3.48Å; M233-W244 HydrophobicContact SD-CH2 4.32Å; M233-L246 HydrophobicContact CE-CB 3.84Å; M233-L246 HydrophobicContact CE-CD1 3.96Å; M233-L246 HydrophobicContact CE-CD2 3.73Å; M233-L246 HydrophobicContact CE-CG 4.04Å; M233-L246 HydrophobicContact CG-CB 4.26Å; M233-L665 HydrophobicContact CE-CD1 3.56Å; M233-L665 HydrophobicContact CE-CD2 3.58Å; M233-L665 HydrophobicContact CE-CG 4.2Å; M233-L665 HydrophobicContact SD-CD2 4.04Å; M233-S693 WeakPolarHBondContact CA-O 3.47Å; M233-S693 VanDerWaalsContact SD-O 3.34Å
234C87Confident83.1Confident9 Ų962 Ų626%0.06131%0.314CS..PPolyproline II helixtrans-65.6151.1-179.2-610000112.2W244 F677 C692 S693C234-W244 PolarHBondContact O-NE1 3.43Å; C234-F677 HydrophobicContact CB-CE2 4.48Å; C234-F677 HydrophobicContact CB-CZ 4.36Å; C234-C692 VanDerWaalsContact CA-SG 3.51Å; C234-C692 HydrophobicContact CB-CB 3.92Å; C234-C692 WeakPolarHBondContact CB-SG 3.27Å; C234-C692 WeakPolarHBondContact SG-CB 3.24Å; C234-C692 PolarHBondContact SG-O 3.18Å; C234-C692 CovalentContact SG-SG 2.05Å; C234-C692 PolarHBondContact SG-SG 3.35Å; C234-S693 PolarHBondContact N-O 3.33Å; C234-S693 PolarHBondContact SG-O 3.44Å; C234-S693 VanDerWaalsContact SG-O 3.42Å
235P83.1Confident83Confident0 Ų061.1 Ų61.10%031%0.308CS..PPolyproline II helixtrans-69.2135.3-178.328.1-33.4000111.7C237 C241 R452 F677P235-C237 VanDerWaalsContact C-N 3.25Å; P235-C237 PolarHBondContact O-N 3.13Å; P235-C241 HydrophobicContact CB-CB 4.29Å; P235-R452 PolarHBondContact O-NH1 3.3Å; P235-R452 PolarHBondContact O-NH2 3.04Å; P235-F677 HydrophobicContact CG-CD1 3.57Å; P235-F677 HydrophobicContact CG-CD2 4.41Å; P235-F677 HydrophobicContact CG-CE1 3.63Å; P235-F677 HydrophobicContact CG-CE2 4.46Å; P235-F677 HydrophobicContact CG-CG 3.99Å; P235-F677 HydrophobicContact CG-CZ 4.09Å
236L76.1Confident83Confident77 Ų7759.6 Ų59.640%0.40330%0.301SS..SBendtrans-75.4-8.4-177.5-61.2171.2000113.8W244 E455L236-W244 HydrophobicContact CD2-CZ2 4.48Å; L236-E455 HydrophobicContact CD2-CB 4.28Å; L236-E455 WeakPolarHBondContact CD2-OE2 3.36Å
237C75.8Confident82.9Confident39 Ų3960.6 Ų60.626%0.26431%0.309SS..SBendtrans-146.8162.3178.478.20000113.3P235 R239 C241 Q681P235-C237 VanDerWaalsContact C-N 3.25Å; P235-C237 PolarHBondContact O-N 3.13Å; C237-R239 PolarHBondContact O-N 3.31Å; C237-C241 HydrophobicContact CB-CB 3.99Å; C237-C241 WeakPolarHBondContact CB-SG 3.43Å; C237-C241 WeakPolarHBondContact SG-CB 3.44Å; C237-C241 PolarHBondContact SG-N 2.86Å; C237-C241 CovalentContact SG-SG 2.03Å; C237-C241 PolarHBondContact SG-SG 3.26Å; C237-Q681 PolarHBondContact O-NE2 3.31Å
238D71.3Confident82.7Confident60 Ų6064.1 Ų64.132%0.32133%0.325SS..SBendtrans-80.2-14.5-164.4-64.8-14.7000115.8R452 Q681D238-R452 WeakPolarHBondContact OD1-CD 3.31Å; D238-R452 IonicContact OD1-NH1 3.55Å; D238-R452 PolarHBondContact OD1-NH1 3.5Å; D238-Q681 PolarHBondContact O-OE1 3.18Å
239R69.6Low82.4Confident215 Ų21557.3 Ų57.381%0.81129%0.294SS*.SBendtrans-135.8-45.1-174.6-65.5-171.2-177.3-174.70.9115.5C237C237-R239 PolarHBondContact O-N 3.31Å
240V70.7Confident82.4Confident106 Ų10657.7 Ų57.764%0.64230%0.297SS*.SBendtrans-99.9-24.2-167.9-176.40000112.2
241C76.8Confident82.2Confident41 Ų4155.6 Ų55.628%0.27729%0.292SS..PPolyproline II helixtrans-81.7135.7-173.1-56.40000110.4P235 C237 Q681P235-C241 HydrophobicContact CB-CB 4.29Å; C237-C241 HydrophobicContact CB-CB 3.99Å; C237-C241 WeakPolarHBondContact CB-SG 3.43Å; C237-C241 WeakPolarHBondContact SG-CB 3.44Å; C237-C241 PolarHBondContact SG-N 2.86Å; C237-C241 CovalentContact SG-SG 2.03Å; C237-C241 PolarHBondContact SG-SG 3.26Å; C241-Q681 WeakPolarHBondContact O-CB 3.48Å; C241-Q681 VanDerWaalsContact O-CG 3.29Å; C241-Q681 WeakPolarHBondContact O-CG 3.21Å; C241-Q681 PolarHBondContact O-NE2 2.71Å
242K83.8Confident81.9Confident126 Ų12657.8 Ų57.855%0.54830%0.297SS..PPolyproline II helixtrans-93.8165.5172.5-61.3-177.8176.2-171.20110.5Q681K242-Q681 CarbonylContact C-O 3.47Å; K242-Q681 VanDerWaalsContact CA-O 3.26Å; K242-Q681 WeakPolarHBondContact CA-O 3.39Å
243V85.1Confident81.6Confident5 Ų556.4 Ų56.43%0.0329%0.29CS..PPolyproline II helixtrans-60.3146.1164.6-65.10000110V232 M233 Q681 M682 T684 A689V232-V243 HydrophobicContact CG1-CB 3.66Å; V232-V243 HydrophobicContact CG1-CG1 4.25Å; V232-V243 HydrophobicContact CG1-CG2 3.87Å; M233-V243 WeakPolarHBondContact O-CA 3.17Å; M233-V243 WeakPolarHBondContact O-CB 3.38Å; V243-Q681 PolarHBondContact N-O 2.9Å; V243-M682 HydrophobicContact CG1-CE 4.06Å; V243-M682 HydrophobicContact CG1-SD 3.5Å; V243-M682 VanDerWaalsContact CG1-SD 3.5Å; V243-T684 WeakPolarHBondContact CG2-OG1 3.31Å; V243-T684 PolarHBondContact O-OG1 3.33Å; V243-A689 HydrophobicContact CG2-CB 4.48Å
244W84.9Confident81.6Confident47 Ų4759.6 Ų59.618%0.17830%0.304CS..EExtended strand (participates in β ladder)trans-134.2155.6-173.553.1-79.8000109.6M233 C234 L236 L246 T249 P458M233-W244 HydrophobicContact CB-CD2 3.73Å; M233-W244 HydrophobicContact CB-CE3 4.03Å; M233-W244 HydrophobicContact CB-CG 4.36Å; M233-W244 HydrophobicContact CB-CH2 3.48Å; M233-W244 VanDerWaalsContact CB-CH2 3.48Å; M233-W244 HydrophobicContact CB-CZ2 3.26Å; M233-W244 HydrophobicContact CB-CZ3 3.91Å; M233-W244 HydrophobicContact CG-CD2 4.4Å; M233-W244 HydrophobicContact CG-CE3 4.19Å; M233-W244 HydrophobicContact CG-CH2 3.38Å; M233-W244 HydrophobicContact CG-CZ2 3.74Å; M233-W244 HydrophobicContact CG-CZ3 3.68Å; M233-W244 PolarHBondContact N-O 3.29Å; M233-W244 PolarHBondContact O-N 3.48Å; M233-W244 HydrophobicContact SD-CH2 4.32Å; C234-W244 PolarHBondContact O-NE1 3.43Å; L236-W244 HydrophobicContact CD2-CZ2 4.48Å; W244-L246 HydrophobicContact CZ3-CD1 4.36Å; W244-T249 HydrophobicContact CE3-CG2 4.09Å; W244-T249 HydrophobicContact CZ3-CG2 3.65Å; W244-P458 HydrophobicContact CH2-CB 3.46Å; W244-P458 VanDerWaalsContact CH2-CB 3.46Å; W244-P458 HydrophobicContact CH2-CG 3.28Å; W244-P458 HydrophobicContact CZ2-CB 4.26Å; W244-P458 HydrophobicContact CZ2-CG 4.08Å; W244-P458 HydrophobicContact CZ3-CB 4.23Å; W244-P458 HydrophobicContact CZ3-CG 3.71Å
245K87.1Confident81.4Confident68 Ų6861.5 Ų61.530%0.29631%0.313SS..EExtended strand (participates in β ladder)trans-89141.5-178.3-67.7179-178.2166.10109.9S247 D248 D685K245-S247 PolarHBondContact O-N 3.47Å; K245-D248 PolarHBondContact N-OD2 2.89Å; K245-D248 WeakPolarHBondContact O-CB 3.36Å; K245-D248 PolarHBondContact O-N 3.26Å; K245-D248 VanDerWaalsContact O-N 3.15Å; K245-D685 IonicContact NZ-OD2 3.27Å; K245-D685 PolarHBondContact NZ-OD2 3.34Å; K245-D685 VanDerWaalsContact NZ-OD2 3.1Å
246L86.9Confident81.5Confident11 Ų1162.1 Ų62.16%0.05832%0.317CS..G310 helixtrans-61-34.3179.2-177.260.2000112.3V226 S229 T231 M233 W244 D248 T249 I661 L665V226-L246 HydrophobicContact CG1-CD1 4.4Å; V226-L246 HydrophobicContact CG1-CG 4.19Å; S229-L246 WeakPolarHBondContact OG-CB 3.39Å; S229-L246 WeakPolarHBondContact OG-CD2 3.44Å; S229-L246 WeakPolarHBondContact OG-CG 3.36Å; T231-L246 PolarHBondContact O-N 3.24Å; M233-L246 HydrophobicContact CE-CB 3.84Å; M233-L246 HydrophobicContact CE-CD1 3.96Å; M233-L246 HydrophobicContact CE-CD2 3.73Å; M233-L246 HydrophobicContact CE-CG 4.04Å; M233-L246 HydrophobicContact CG-CB 4.26Å; W244-L246 HydrophobicContact CZ3-CD1 4.36Å; L246-D248 PolarHBondContact O-N 3.33Å; L246-D248 VanDerWaalsContact O-N 3.16Å; L246-T249 PolarHBondContact O-N 3.32Å; L246-T249 PolarHBondContact O-OG1 3.06Å; L246-I661 HydrophobicContact CD2-CG2 3.72Å; L246-L665 HydrophobicContact CD2-CD1 4.32Å
247S87.4Confident81.8Confident33 Ų3359.2 Ų59.223%0.23130%0.302CS..G310 helixtrans-53.3-31.5174.260.80000114.4V226 K245 T249 C250V226-S247 WeakPolarHBondContact O-CA 3.41Å; K245-S247 PolarHBondContact O-N 3.47Å; S247-T249 PolarHBondContact O-N 3.34Å; S247-C250 VanDerWaalsContact O-CB 3.23Å; S247-C250 WeakPolarHBondContact O-CB 3.18Å; S247-C250 PolarHBondContact O-N 2.88Å; S247-C250 VanDerWaalsContact O-N 3.09Å
248D84.6Confident82.2Confident112 Ų11258.1 Ų58.160%0.59929%0.293SS*.G310 helixtrans-63.1-19-179.2-62.9-23000111.9K245 L246K245-D248 PolarHBondContact N-OD2 2.89Å; K245-D248 WeakPolarHBondContact O-CB 3.36Å; K245-D248 PolarHBondContact O-N 3.26Å; K245-D248 VanDerWaalsContact O-N 3.15Å; L246-D248 PolarHBondContact O-N 3.33Å; L246-D248 VanDerWaalsContact O-N 3.16Å
249T82.8Confident82.7Confident9 Ų955.5 Ų55.56%0.05528%0.279CS..G310 helixtrans-97.18-178.768.40000114.2W244 L246 S247 S251 Y252 A253 P458W244-T249 HydrophobicContact CE3-CG2 4.09Å; W244-T249 HydrophobicContact CZ3-CG2 3.65Å; L246-T249 PolarHBondContact O-N 3.32Å; L246-T249 PolarHBondContact O-OG1 3.06Å; S247-T249 PolarHBondContact O-N 3.34Å; T249-S251 VanDerWaalsContact C-N 3.33Å; T249-S251 PolarHBondContact O-N 2.96Å; T249-Y252 WeakPolarHBondContact O-CB 3.19Å; T249-Y252 PolarHBondContact O-N 3.3Å; T249-A253 PolarHBondContact O-N 3.15Å; T249-P458 HydrophobicContact CG2-CG 3.63Å
250C86.4Confident83.5Confident25 Ų2545.6 Ų45.617%0.16924%0.242CC..Hα-helixtrans-50.4-46179.9177.10000113.5C227 S247 Y252 A253 K254C227-C250 HydrophobicContact CB-CB 3.87Å; C227-C250 WeakPolarHBondContact CB-SG 3.43Å; C227-C250 WeakPolarHBondContact SG-CB 3.38Å; C227-C250 CovalentContact SG-SG 2.04Å; C227-C250 PolarHBondContact SG-SG 3.18Å; S247-C250 VanDerWaalsContact O-CB 3.23Å; S247-C250 WeakPolarHBondContact O-CB 3.18Å; S247-C250 PolarHBondContact O-N 2.88Å; S247-C250 VanDerWaalsContact O-N 3.09Å; C250-Y252 VanDerWaalsContact C-N 3.31Å; C250-Y252 PolarHBondContact O-N 3.36Å; C250-A253 PolarHBondContact O-N 3.34Å; C250-K254 WeakPolarHBondContact O-CG 3.32Å; C250-K254 PolarHBondContact O-N 2.93Å
251S83.7Confident84.2Confident93 Ų9340.9 Ų40.965%0.6521%0.214SC*.Hα-helixtrans-62.1-37.6178.2-620000112.9T249 L255T249-S251 VanDerWaalsContact C-N 3.33Å; T249-S251 PolarHBondContact O-N 2.96Å; S251-L255 PolarHBondContact O-N 3.06Å
252Y80.3Confident84.8Confident88 Ų8843.5 Ų43.535%0.34523%0.225SC..Hα-helixtrans-75.7-35.3177.5-70.6-82.2000112.1T249 C250 K254 L255 S256 H457T249-Y252 WeakPolarHBondContact O-CB 3.19Å; T249-Y252 PolarHBondContact O-N 3.3Å; C250-Y252 VanDerWaalsContact C-N 3.31Å; C250-Y252 PolarHBondContact O-N 3.36Å; Y252-K254 VanDerWaalsContact C-N 3.35Å; Y252-L255 PolarHBondContact O-N 3.2Å; Y252-S256 WeakPolarHBondContact O-CB 3.46Å; Y252-S256 PolarHBondContact O-N 2.92Å; Y252-H457 AromaticContact CD2-CE1 3.5Å; Y252-H457 VanDerWaalsContact CD2-CE1 3.5Å; Y252-H457 WeakPolarHBondContact CD2-CE1 3.49Å; Y252-H457 AromaticContact CD2-NE2 3.76Å; Y252-H457 AromaticContact CE2-NE2 3.98Å; Y252-H457 AromaticContact CG-CE1 3.51Å; Y252-H457 AromaticContact CG-ND1 4Å
253A83.2Confident85.1Confident14 Ų1438.2 Ų38.212%0.11621%0.206CC..Hα-helixtrans-63-41.3173.400000111.8V226 T249 C250 L255 S256 L257V226-A253 HydrophobicContact CB-CB 4.19Å; V226-A253 HydrophobicContact CG1-CB 3.8Å; V226-A253 HydrophobicContact CG2-CB 4.35Å; T249-A253 PolarHBondContact O-N 3.15Å; C250-A253 PolarHBondContact O-N 3.34Å; A253-L255 VanDerWaalsContact C-N 3.34Å; A253-L255 PolarHBondContact O-N 3.36Å; A253-S256 PolarHBondContact O-N 2.94Å; A253-L257 PolarHBondContact O-N 3.46Å
254K86.6Confident85.3Confident74 Ų7438.2 Ų38.232%0.32221%0.206SC..Hα-helixtrans-58.1-45.8171-72.4177.5-178.5-177.50111.8F217 V223 C250 Y252 L258F217-K254 HydrophobicContact CD2-CB 4.43Å; F217-K254 HydrophobicContact CD2-CD 4.15Å; F217-K254 HydrophobicContact CD2-CG 4.09Å; F217-K254 HydrophobicContact CE2-CD 4.23Å; V223-K254 HydrophobicContact CG1-CD 4.45Å; V223-K254 HydrophobicContact CG1-CG 3.65Å; C250-K254 WeakPolarHBondContact O-CG 3.32Å; C250-K254 PolarHBondContact O-N 2.93Å; Y252-K254 VanDerWaalsContact C-N 3.35Å; K254-L258 PolarHBondContact O-N 2.97Å; K254-L258 VanDerWaalsContact O-N 3.15Å
255L83.6Confident85.6Confident49 Ų4936.6 Ų36.626%0.25720%0.201SC..Hα-helixtrans-65.7-39.5177.9-172.165.7000112.5S251 Y252 A253 L258 F259 F466S251-L255 PolarHBondContact O-N 3.06Å; Y252-L255 PolarHBondContact O-N 3.2Å; A253-L255 VanDerWaalsContact C-N 3.34Å; A253-L255 PolarHBondContact O-N 3.36Å; L255-L258 HydrophobicContact CD1-CD2 4.31Å; L255-L258 WeakPolarHBondContact O-CB 3.45Å; L255-L258 PolarHBondContact O-N 2.95Å; L255-F259 HydrophobicContact CD1-CD2 4.31Å; L255-F259 HydrophobicContact CD1-CE2 3.6Å; L255-F259 HydrophobicContact CD1-CZ 4.47Å; L255-F259 HydrophobicContact CG-CD2 4.45Å; L255-F259 HydrophobicContact CG-CE2 4.13Å; L255-F259 VanDerWaalsContact O-CD2 3.26Å; L255-F259 WeakPolarHBondContact O-CD2 3.36Å; L255-F466 HydrophobicContact CD1-CE1 4.37Å; L255-F466 HydrophobicContact CD2-CE1 4.21Å
256S84.1Confident85.8Confident13 Ų1339.6 Ų39.69%0.09121%0.214CC..Hα-helixtrans-63.6-46.8177.8-170.30000110.9Y252 A253 L258 F259 D260 S459Y252-S256 WeakPolarHBondContact O-CB 3.46Å; Y252-S256 PolarHBondContact O-N 2.92Å; A253-S256 PolarHBondContact O-N 2.94Å; S256-L258 VanDerWaalsContact C-N 3.28Å; S256-L258 PolarHBondContact O-N 3.42Å; S256-F259 PolarHBondContact O-N 2.93Å; S256-D260 WeakPolarHBondContact O-CB 3.47Å; S256-D260 PolarHBondContact O-N 3.16Å; S256-S459 PolarHBondContact OG-O 3.43Å
257L83.8Confident86Confident15 Ų1539 Ų398%0.07921%0.212CC..Hα-helixtrans-65.7-29.3178.2-174.365.2000113.3Y216 F217 S220 V223 A253 F259Y216-L257 HydrophobicContact CD1-CD2 4.44Å; F217-L257 HydrophobicContact CB-CD2 4.27Å; S220-L257 VanDerWaalsContact OG-CD2 3.28Å; S220-L257 WeakPolarHBondContact OG-CD2 3.35Å; V223-L257 HydrophobicContact CG2-CB 4.32Å; V223-L257 HydrophobicContact CG2-CD2 3.56Å; A253-L257 PolarHBondContact O-N 3.46Å; L257-F259 PolarHBondContact O-N 3.48Å
258L84.4Confident86.2Confident17 Ų1737.5 Ų37.59%0.08920%0.201CC..Hα-helixtrans-58.9-35.4176-172.762.7000111.8F210 L214 K254 L255 S256 N261F210-L258 HydrophobicContact CD2-CD1 4.24Å; F210-L258 HydrophobicContact CD2-CD2 4.19Å; F210-L258 HydrophobicContact CD2-CG 4.04Å; F210-L258 HydrophobicContact CE2-CD1 4.08Å; F210-L258 HydrophobicContact CE2-CD2 3.34Å; F210-L258 HydrophobicContact CE2-CG 3.7Å; F210-L258 HydrophobicContact CZ-CD1 4.45Å; F210-L258 HydrophobicContact CZ-CD2 3.76Å; F210-L258 HydrophobicContact CZ-CG 4.39Å; L214-L258 HydrophobicContact CB-CD1 4.11Å; L214-L258 HydrophobicContact CD1-CD1 4.29Å; L214-L258 VanDerWaalsContact N-CD1 3.34Å; K254-L258 PolarHBondContact O-N 2.97Å; K254-L258 VanDerWaalsContact O-N 3.15Å; L255-L258 HydrophobicContact CD1-CD2 4.31Å; L255-L258 WeakPolarHBondContact O-CB 3.45Å; L255-L258 PolarHBondContact O-N 2.95Å; S256-L258 VanDerWaalsContact C-N 3.28Å; S256-L258 PolarHBondContact O-N 3.42Å; L258-N261 PolarHBondContact O-ND2 3.3Å
259F81.1Confident86.5Confident5 Ų535.7 Ų35.72%0.02219%0.19CC..Hα-helixtrans-106.8-23.3-177.4-59.3-61.6000114F210 L255 S256 L257 N261 T264 L462 F466 F568F210-F259 AromaticContact CD2-CE1 3.83Å; F210-F259 HydrophobicContact CD2-CE1 3.83Å; F210-F259 HydrophobicContact CD2-CZ 4.49Å; F210-F259 AromaticContact CE2-CE1 3.79Å; F210-F259 HydrophobicContact CE2-CE1 3.79Å; F210-F259 AromaticContact CE2-CZ 3.99Å; F210-F259 HydrophobicContact CE2-CZ 3.99Å; L255-F259 HydrophobicContact CD1-CD2 4.31Å; L255-F259 HydrophobicContact CD1-CE2 3.6Å; L255-F259 HydrophobicContact CD1-CZ 4.47Å; L255-F259 HydrophobicContact CG-CD2 4.45Å; L255-F259 HydrophobicContact CG-CE2 4.13Å; L255-F259 VanDerWaalsContact O-CD2 3.26Å; L255-F259 WeakPolarHBondContact O-CD2 3.36Å; S256-F259 PolarHBondContact O-N 2.93Å; L257-F259 PolarHBondContact O-N 3.48Å; F259-N261 PolarHBondContact O-N 2.96Å; F259-T264 WeakPolarHBondContact O-CB 3.45Å; F259-T264 WeakPolarHBondContact O-CG2 3.35Å; F259-T264 PolarHBondContact O-OG1 3.46Å; F259-L462 HydrophobicContact CB-CD2 4.16Å; F259-F466 HydrophobicContact CD2-CD1 4.23Å; F259-F466 HydrophobicContact CD2-CG 4.32Å; F259-F466 AromaticContact CE2-CD1 3.77Å; F259-F466 HydrophobicContact CE2-CD1 3.77Å; F259-F466 HydrophobicContact CE2-CD2 4.17Å; F259-F466 AromaticContact CE2-CE1 3.65Å; F259-F466 HydrophobicContact CE2-CE1 3.65Å; F259-F466 HydrophobicContact CE2-CE2 4.07Å; F259-F466 HydrophobicContact CE2-CG 4.03Å; F259-F466 AromaticContact CE2-CZ 3.81Å; F259-F466 HydrophobicContact CE2-CZ 3.81Å; F259-F466 HydrophobicContact CZ-CD1 4.49Å; F259-F466 HydrophobicContact CZ-CD2 4.2Å; F259-F466 HydrophobicContact CZ-CE1 4.16Å; F259-F466 AromaticContact CZ-CE2 3.85Å; F259-F466 HydrophobicContact CZ-CE2 3.85Å; F259-F466 AromaticContact CZ-CZ 3.82Å; F259-F466 HydrophobicContact CZ-CZ 3.82Å; F259-F568 HydrophobicContact CE1-CD2 4.17Å; F259-F568 HydrophobicContact CE1-CE2 4.34Å
260D85.6Confident86.9Confident7 Ų737.1 Ų37.14%0.03720%0.195CC..SBendtrans-102.564.4176-166.311.9000110.7S256 S631 D632 R636S256-D260 WeakPolarHBondContact O-CB 3.47Å; S256-D260 PolarHBondContact O-N 3.16Å; D260-S631 VanDerWaalsContact CG-OG 3.22Å; D260-S631 PolarHBondContact OD1-OG 3.49Å; D260-S631 PolarHBondContact OD2-OG 3.35Å; D260-D632 PolarHBondContact OD2-N 3.29Å; D260-R636 PolarHBondContact O-NH1 3.3Å; D260-R636 PolarHBondContact O-NH2 3.32Å; D260-R636 IonicContact OD1-NH2 2.75Å; D260-R636 PolarHBondContact OD1-NH2 3.15Å; D260-R636 IonicContact OD2-CZ 2.93Å; D260-R636 IonicContact OD2-NH2 3.63Å; D260-R636 PolarHBondContact OD2-NH2 3.37Å; D260-R636 VanDerWaalsContact OD2-NH2 3.09Å
261N87Confident87.2Confident7 Ų736 Ų364%0.03719%0.188CC..SBendtrans-117.5162.8179.571.357.8000111.6L258 F259 G263 T264L258-N261 PolarHBondContact O-ND2 3.3Å; F259-N261 PolarHBondContact O-N 2.96Å; N261-G263 PolarHBondContact O-N 3.02Å; N261-G263 VanDerWaalsContact O-N 3.11Å; N261-G263 WeakPolarHBondContact OD1-CA 3.47Å; N261-G263 PolarHBondContact OD1-N 2.75Å; N261-T264 PolarHBondContact O-N 3.28Å; N261-T264 PolarHBondContact O-OG1 2.99Å; N261-T264 PolarHBondContact OD1-N 2.84Å
262N87.9Confident87.5Confident95 Ų9532 Ų3251%0.50816%0.16SC..Hα-helixtrans-59.5-28.2-179.4-64.7-8.7000113T264 F266 F633N262-T264 VanDerWaalsContact C-N 3.34Å; N262-F266 PolarHBondContact O-N 3.16Å; N262-F633 WeakPolarHBondContact OD1-CE2 3.49Å
263G89.9Confident87.9Confident15 Ų1530.9 Ų30.916%0.15516%0.159CC..Hα-helixtrans-68.1-28.5175.700000113.5N261 F266 F267N261-G263 PolarHBondContact O-N 3.02Å; N261-G263 VanDerWaalsContact O-N 3.11Å; N261-G263 WeakPolarHBondContact OD1-CA 3.47Å; N261-G263 PolarHBondContact OD1-N 2.75Å; G263-F266 PolarHBondContact O-N 2.63Å; G263-F267 WeakPolarHBondContact O-CB 3.47Å; G263-F267 PolarHBondContact O-N 2.88Å
264T90.6Very high88.4Confident5 Ų530.9 Ų30.93%0.03116%0.156CC..Hα-helixtrans-74.1-31.7177.9630000112.5V209 F259 N261 N262 F267 A268 P569V209-T264 HydrophobicContact CG1-CG2 3.73Å; F259-T264 WeakPolarHBondContact O-CB 3.45Å; F259-T264 WeakPolarHBondContact O-CG2 3.35Å; F259-T264 PolarHBondContact O-OG1 3.46Å; N261-T264 PolarHBondContact O-N 3.28Å; N261-T264 PolarHBondContact O-OG1 2.99Å; N261-T264 PolarHBondContact OD1-N 2.84Å; N262-T264 VanDerWaalsContact C-N 3.34Å; T264-F267 PolarHBondContact O-N 3.2Å; T264-A268 WeakPolarHBondContact O-CB 3.29Å; T264-A268 PolarHBondContact O-N 3.47Å; T264-P569 HydrophobicContact CG2-CG 3.34Å
265V90.2Very high88.6Confident14 Ų1427.6 Ų27.69%0.08514%0.143CC..Hα-helixtrans-63-47.6169.8-1800000110.5F267 A268 M269 I627 F633V265-F267 VanDerWaalsContact C-N 3.31Å; V265-F267 PolarHBondContact O-N 3.17Å; V265-A268 PolarHBondContact O-N 3.4Å; V265-M269 PolarHBondContact O-N 2.72Å; V265-M269 VanDerWaalsContact O-N 3.12Å; V265-I627 HydrophobicContact CG1-CD1 4.38Å; V265-I627 HydrophobicContact CG2-CG2 4.02Å; V265-F633 HydrophobicContact CG2-CD1 4.17Å; V265-F633 HydrophobicContact CG2-CD2 3.94Å; V265-F633 HydrophobicContact CG2-CE1 4.32Å; V265-F633 HydrophobicContact CG2-CE2 4.1Å; V265-F633 HydrophobicContact CG2-CG 3.98Å; V265-F633 HydrophobicContact CG2-CZ 4.29Å
266F91Very high88.8Confident130 Ų13026.2 Ų26.257%0.5714%0.136SC*.Hα-helixtrans-59.4-43.4174173.8-97.1000111.6N262 G263 A268 M269 F270N262-F266 PolarHBondContact O-N 3.16Å; G263-F266 PolarHBondContact O-N 2.63Å; F266-A268 VanDerWaalsContact C-N 3.35Å; F266-A268 PolarHBondContact O-N 3.16Å; F266-M269 PolarHBondContact O-N 2.93Å; F266-F270 PolarHBondContact O-N 2.82Å
267F93Very high89.2Confident0 Ų028.3 Ų28.30%015%0.146CC..Hα-helixtrans-62.2-40.7177.9-172.7-119.6000112.5P202 I205 V209 G263 T264 V265 M269 F270 M271 V565 P569 P572P202-F267 WeakPolarHBondContact O-CE2 3.42Å; I205-F267 HydrophobicContact CB-CD2 4.31Å; I205-F267 HydrophobicContact CB-CE2 4.09Å; I205-F267 HydrophobicContact CG2-CD2 3.66Å; I205-F267 HydrophobicContact CG2-CE2 3.96Å; V209-F267 HydrophobicContact CG2-CB 4.3Å; G263-F267 WeakPolarHBondContact O-CB 3.47Å; G263-F267 PolarHBondContact O-N 2.88Å; T264-F267 PolarHBondContact O-N 3.2Å; V265-F267 VanDerWaalsContact C-N 3.31Å; V265-F267 PolarHBondContact O-N 3.17Å; F267-M269 PolarHBondContact O-N 2.95Å; F267-F270 HydrophobicContact CD2-CD1 4.02Å; F267-F270 AromaticContact CE2-CD1 4Å; F267-F270 HydrophobicContact CE2-CD1 4Å; F267-F270 HydrophobicContact CE2-CE1 4.33Å; F267-F270 WeakPolarHBondContact O-CB 3.49Å; F267-F270 PolarHBondContact O-N 2.69Å; F267-M271 HydrophobicContact CD1-CG 4.16Å; F267-M271 HydrophobicContact CD2-CG 4.31Å; F267-M271 HydrophobicContact CE1-CG 3.83Å; F267-M271 HydrophobicContact CE1-SD 4.48Å; F267-M271 HydrophobicContact CE2-CG 4Å; F267-M271 HydrophobicContact CE2-SD 4.24Å; F267-M271 HydrophobicContact CG-CG 4.41Å; F267-M271 HydrophobicContact CZ-CG 3.76Å; F267-M271 HydrophobicContact CZ-SD 3.94Å; F267-M271 WeakPolarHBondContact O-CB 3.47Å; F267-M271 VanDerWaalsContact O-CG 3.3Å; F267-M271 WeakPolarHBondContact O-CG 3.41Å; F267-M271 PolarHBondContact O-N 3.28Å; F267-V565 HydrophobicContact CD1-CG2 3.95Å; F267-V565 HydrophobicContact CE1-CG2 3.41Å; F267-V565 VanDerWaalsContact CE1-CG2 3.41Å; F267-V565 HydrophobicContact CZ-CG2 4.32Å; F267-P569 HydrophobicContact CD1-CB 3.79Å; F267-P569 HydrophobicContact CD1-CG 4.49Å; F267-P569 HydrophobicContact CE1-CB 3.94Å; F267-P569 VanDerWaalsContact CE1-O 3.31Å; F267-P569 WeakPolarHBondContact CE1-O 3.35Å; F267-P572 HydrophobicContact CE1-CG 4.42Å; F267-P572 HydrophobicContact CZ-CG 4.03Å
268A91.5Very high89.5Confident0 Ų027.7 Ų27.70%014%0.142CC..Hα-helixtrans-63.5-40.5176.500000112T264 V265 F266 M271 A272 A566 I627T264-A268 WeakPolarHBondContact O-CB 3.29Å; T264-A268 PolarHBondContact O-N 3.47Å; V265-A268 PolarHBondContact O-N 3.4Å; F266-A268 VanDerWaalsContact C-N 3.35Å; F266-A268 PolarHBondContact O-N 3.16Å; A268-M271 PolarHBondContact O-N 2.86Å; A268-A272 PolarHBondContact O-N 2.99Å; A268-A566 HydrophobicContact CB-CB 3.99Å; A268-I627 HydrophobicContact CB-CD1 3.75Å
269M89.3Confident89.8Confident74 Ų7427.3 Ų27.337%0.36514%0.14SC..Hα-helixtrans-63.1-46.5172.9-68.2179.266.700111.6V265 F266 F267 M271 A272 I273 F722V265-M269 PolarHBondContact O-N 2.72Å; V265-M269 VanDerWaalsContact O-N 3.12Å; F266-M269 PolarHBondContact O-N 2.93Å; F267-M269 PolarHBondContact O-N 2.95Å; M269-M271 VanDerWaalsContact C-N 3.3Å; M269-M271 PolarHBondContact O-N 3.45Å; M269-A272 PolarHBondContact O-N 3.11Å; M269-I273 WeakPolarHBondContact O-CG1 2.97Å; M269-I273 PolarHBondContact O-N 3.48Å; M269-I273 VanDerWaalsContact O-N 3.14Å; M269-F722 HydrophobicContact CG-CD2 4.33Å; M269-F722 HydrophobicContact CG-CE2 3.57Å; M269-F722 HydrophobicContact CG-CZ 4.36Å
270F92.2Very high90.2Very high40 Ų4027.6 Ų27.618%0.17514%0.142CC..Hα-helixtrans-57.5-45175164.7-95000111.1L201 P202 I205 F266 F267 I273 W274L201-F270 HydrophobicContact CD2-CE2 4.11Å; L201-F270 HydrophobicContact CD2-CZ 3.86Å; L201-F270 HydrophobicContact CG-CE2 4.44Å; L201-F270 HydrophobicContact CG-CZ 3.88Å; P202-F270 HydrophobicContact CB-CE1 4.29Å; P202-F270 HydrophobicContact CG-CE1 4.05Å; P202-F270 HydrophobicContact CG-CZ 4.42Å; I205-F270 HydrophobicContact CD1-CD1 4.15Å; I205-F270 HydrophobicContact CD1-CD2 4.01Å; I205-F270 HydrophobicContact CD1-CE1 3.78Å; I205-F270 HydrophobicContact CD1-CE2 3.61Å; I205-F270 HydrophobicContact CD1-CG 4.28Å; I205-F270 HydrophobicContact CD1-CZ 3.5Å; F266-F270 PolarHBondContact O-N 2.82Å; F267-F270 HydrophobicContact CD2-CD1 4.02Å; F267-F270 AromaticContact CE2-CD1 4Å; F267-F270 HydrophobicContact CE2-CD1 4Å; F267-F270 HydrophobicContact CE2-CE1 4.33Å; F267-F270 WeakPolarHBondContact O-CB 3.49Å; F267-F270 PolarHBondContact O-N 2.69Å; F270-I273 PolarHBondContact O-N 2.77Å; F270-W274 HydrophobicContact CE1-CB 4.18Å; F270-W274 HydrophobicContact CE1-CG 4.47Å; F270-W274 HydrophobicContact CZ-CB 4.08Å; F270-W274 HydrophobicContact CZ-CG 4.32Å; F270-W274 VanDerWaalsContact O-CB 3.28Å; F270-W274 WeakPolarHBondContact O-CB 3.33Å; F270-W274 PolarHBondContact O-N 3.16Å
271M92.7Very high90.5Very high1 Ų130.7 Ų30.71%0.00516%0.155CC..Hα-helixtrans-65.8-39.5-179.1-79.4-62.7-58.900112.6P202 F267 A268 M269 W274 T275 V565 P572P202-M271 HydrophobicContact CB-SD 3.61Å; P202-M271 HydrophobicContact CG-SD 3.89Å; F267-M271 HydrophobicContact CD1-CG 4.16Å; F267-M271 HydrophobicContact CD2-CG 4.31Å; F267-M271 HydrophobicContact CE1-CG 3.83Å; F267-M271 HydrophobicContact CE1-SD 4.48Å; F267-M271 HydrophobicContact CE2-CG 4Å; F267-M271 HydrophobicContact CE2-SD 4.24Å; F267-M271 HydrophobicContact CG-CG 4.41Å; F267-M271 HydrophobicContact CZ-CG 3.76Å; F267-M271 HydrophobicContact CZ-SD 3.94Å; F267-M271 WeakPolarHBondContact O-CB 3.47Å; F267-M271 VanDerWaalsContact O-CG 3.3Å; F267-M271 WeakPolarHBondContact O-CG 3.41Å; F267-M271 PolarHBondContact O-N 3.28Å; A268-M271 PolarHBondContact O-N 2.86Å; M269-M271 VanDerWaalsContact C-N 3.3Å; M269-M271 PolarHBondContact O-N 3.45Å; M271-W274 HydrophobicContact CE-CE3 3.73Å; M271-W274 HydrophobicContact CE-CZ3 3.99Å; M271-W274 PolarHBondContact O-N 3.11Å; M271-W274 HydrophobicContact SD-CE3 4.3Å; M271-T275 WeakPolarHBondContact O-CB 3.41Å; M271-T275 PolarHBondContact O-N 3.28Å; M271-T275 PolarHBondContact O-OG1 3.45Å; M271-V565 HydrophobicContact CB-CG1 3.73Å; M271-V565 HydrophobicContact CB-CG2 4.46Å; M271-V565 HydrophobicContact CE-CG2 4.32Å; M271-V565 HydrophobicContact CG-CB 4.48Å; M271-V565 HydrophobicContact CG-CG1 3.99Å; M271-V565 HydrophobicContact CG-CG2 3.8Å; M271-P572 HydrophobicContact CE-CG 4.2Å; M271-P572 HydrophobicContact SD-CG 4.29Å
272A88.9Confident90.7Very high8 Ų830.4 Ų30.47%0.06615%0.153CC..Hα-helixtrans-60.3-46.2173.700000111.7A268 M269 T275 T276 V620 L726A268-A272 PolarHBondContact O-N 2.99Å; M269-A272 PolarHBondContact O-N 3.11Å; A272-T275 PolarHBondContact O-N 3.41Å; A272-T276 WeakPolarHBondContact O-CG2 3.32Å; A272-T276 PolarHBondContact O-N 3.26Å; A272-V620 HydrophobicContact CB-CG2 4.14Å; A272-L726 HydrophobicContact CB-CD1 3.57Å; A272-L726 HydrophobicContact CB-CD2 3.7Å; A272-L726 HydrophobicContact CB-CG 4.17Å
273I89.2Confident90.9Very high66 Ų6628 Ų2834%0.33814%0.139SC..Hα-helixtrans-63.7-47.3175.6-64.1169.3000110.2M269 F270 T275 T276 L277 L726M269-I273 WeakPolarHBondContact O-CG1 2.97Å; M269-I273 PolarHBondContact O-N 3.48Å; M269-I273 VanDerWaalsContact O-N 3.14Å; F270-I273 PolarHBondContact O-N 2.77Å; I273-T275 VanDerWaalsContact C-N 3.3Å; I273-T275 PolarHBondContact O-N 2.8Å; I273-T276 PolarHBondContact O-N 3.17Å; I273-T276 VanDerWaalsContact O-N 3.13Å; I273-T276 PolarHBondContact O-OG1 3.02Å; I273-L277 HydrophobicContact CG2-CD1 3.87Å; I273-L277 HydrophobicContact CG2-CG 4.26Å; I273-L277 WeakPolarHBondContact O-CG 3.43Å; I273-L277 PolarHBondContact O-N 3.3Å; I273-L726 HydrophobicContact CG1-CD2 4.13Å
274W93.1Very high90.9Very high14 Ų1431.6 Ų31.65%0.05315%0.147CC..Hα-helixtrans-56.3-42.7177.9174.691.5000111.8Y195 L198 L199 P202 F270 M271 T276 L277 F278 F558 T562Y195-W274 HydrophobicContact CD2-CH2 4.46Å; Y195-W274 HydrophobicContact CE2-CH2 4.23Å; L198-W274 HydrophobicContact CB-CZ2 3.99Å; L198-W274 PolarHBondContact O-NE1 2.86Å; L199-W274 HydrophobicContact CD2-CH2 4.02Å; L199-W274 HydrophobicContact CD2-CZ2 4.31Å; L199-W274 HydrophobicContact CG-CH2 4.47Å; P202-W274 HydrophobicContact CG-CD2 3.69Å; P202-W274 VanDerWaalsContact CG-CE2 3.42Å; P202-W274 HydrophobicContact CG-CE3 4.39Å; P202-W274 HydrophobicContact CG-CG 3.85Å; P202-W274 HydrophobicContact CG-CZ2 3.96Å; P202-W274 VanDerWaalsContact CG-NE1 3.34Å; F270-W274 HydrophobicContact CE1-CB 4.18Å; F270-W274 HydrophobicContact CE1-CG 4.47Å; F270-W274 HydrophobicContact CZ-CB 4.08Å; F270-W274 HydrophobicContact CZ-CG 4.32Å; F270-W274 VanDerWaalsContact O-CB 3.28Å; F270-W274 WeakPolarHBondContact O-CB 3.33Å; F270-W274 PolarHBondContact O-N 3.16Å; M271-W274 HydrophobicContact CE-CE3 3.73Å; M271-W274 HydrophobicContact CE-CZ3 3.99Å; M271-W274 PolarHBondContact O-N 3.11Å; M271-W274 HydrophobicContact SD-CE3 4.3Å; W274-T276 VanDerWaalsContact C-N 3.34Å; W274-T276 PolarHBondContact O-N 2.68Å; W274-L277 PolarHBondContact O-N 3.26Å; W274-F278 HydrophobicContact CH2-CB 4.41Å; W274-F278 HydrophobicContact CH2-CD2 4.28Å; W274-F278 HydrophobicContact CH2-CG 4.25Å; W274-F278 HydrophobicContact CZ2-CB 4.37Å; W274-F278 HydrophobicContact CZ2-CD2 4.21Å; W274-F278 HydrophobicContact CZ2-CG 4.43Å; W274-F278 WeakPolarHBondContact O-CB 3.48Å; W274-F278 PolarHBondContact O-N 2.94Å; W274-F558 HydrophobicContact CH2-CE2 4.48Å; W274-F558 HydrophobicContact CZ3-CE2 4.29Å; W274-T562 HydrophobicContact CZ3-CG2 4.44Å
275T91.8Very high90.7Very high5 Ų531.6 Ų31.63%0.03115%0.147CC..Hα-helixtrans-62.1-40.9177.9-65.90000111.9M271 A272 I273 M279 F558 T562M271-T275 WeakPolarHBondContact O-CB 3.41Å; M271-T275 PolarHBondContact O-N 3.28Å; M271-T275 PolarHBondContact O-OG1 3.45Å; A272-T275 PolarHBondContact O-N 3.41Å; I273-T275 VanDerWaalsContact C-N 3.3Å; I273-T275 PolarHBondContact O-N 2.8Å; T275-M279 WeakPolarHBondContact O-CG 2.92Å; T275-M279 PolarHBondContact O-N 3.18Å; T275-F558 HydrophobicContact CG2-CZ 3.99Å; T275-T562 HydrophobicContact CG2-CG2 4.28Å; T275-T562 WeakPolarHBondContact OG1-CG2 3.48Å
276T88.6Confident90.7Very high20 Ų2031.5 Ų31.512%0.12315%0.146CC..Hα-helixtrans-66-46.1176.263.40000111.7A272 I273 W274 F278 M279 E280 K730A272-T276 WeakPolarHBondContact O-CG2 3.32Å; A272-T276 PolarHBondContact O-N 3.26Å; I273-T276 PolarHBondContact O-N 3.17Å; I273-T276 VanDerWaalsContact O-N 3.13Å; I273-T276 PolarHBondContact O-OG1 3.02Å; W274-T276 VanDerWaalsContact C-N 3.34Å; W274-T276 PolarHBondContact O-N 2.68Å; T276-F278 PolarHBondContact O-N 3.42Å; T276-M279 PolarHBondContact O-N 3.49Å; T276-E280 PolarHBondContact O-N 3.13Å; T276-E280 VanDerWaalsContact O-N 3.13Å; T276-K730 HydrophobicContact CG2-CB 3.75Å; T276-K730 HydrophobicContact CG2-CD 4.31Å; T276-K730 HydrophobicContact CG2-CG 3.72Å
277L90.6Very high90.6Very high56 Ų5626.2 Ų26.229%0.29313%0.126SC..Hα-helixtrans-63.2-42.4177.2-67.8176.8000111.7I273 W274 M279 E280 F281 A733 I737I273-L277 HydrophobicContact CG2-CD1 3.87Å; I273-L277 HydrophobicContact CG2-CG 4.26Å; I273-L277 WeakPolarHBondContact O-CG 3.43Å; I273-L277 PolarHBondContact O-N 3.3Å; W274-L277 PolarHBondContact O-N 3.26Å; L277-M279 VanDerWaalsContact C-N 3.3Å; L277-M279 PolarHBondContact O-N 3.26Å; L277-E280 PolarHBondContact O-N 3.04Å; L277-F281 HydrophobicContact CB-CD2 4.09Å; L277-F281 HydrophobicContact CB-CE2 4Å; L277-F281 HydrophobicContact CD2-CE2 4.23Å; L277-F281 WeakPolarHBondContact O-CB 3.24Å; L277-F281 WeakPolarHBondContact O-CD2 3.39Å; L277-F281 WeakPolarHBondContact O-CG 3.49Å; L277-F281 PolarHBondContact O-N 2.92Å; L277-A733 HydrophobicContact CD2-CB 4.1Å; L277-I737 HydrophobicContact CD2-CD1 3.67Å
278F92.1Very high90.2Very high2 Ų226.5 Ų26.51%0.00913%0.128CC..Hα-helixtrans-53.4-48.7175.9165.9-98.8000111W191 W194 Y195 L198 W274 T276 W282 F558W191-F278 AromaticContact NE1-CZ 3.92Å; W194-F278 AromaticContact CD1-CE2 3.81Å; Y195-F278 HydrophobicContact CD2-CE2 4.08Å; Y195-F278 HydrophobicContact CD2-CZ 4.1Å; Y195-F278 HydrophobicContact CG-CZ 4.45Å; L198-F278 HydrophobicContact CB-CD2 4.17Å; L198-F278 HydrophobicContact CD1-CB 4.48Å; L198-F278 HydrophobicContact CD1-CD2 3.61Å; L198-F278 HydrophobicContact CD1-CE2 4.33Å; W274-F278 HydrophobicContact CH2-CB 4.41Å; W274-F278 HydrophobicContact CH2-CD2 4.28Å; W274-F278 HydrophobicContact CH2-CG 4.25Å; W274-F278 HydrophobicContact CZ2-CB 4.37Å; W274-F278 HydrophobicContact CZ2-CD2 4.21Å; W274-F278 HydrophobicContact CZ2-CG 4.43Å; W274-F278 WeakPolarHBondContact O-CB 3.48Å; W274-F278 PolarHBondContact O-N 2.94Å; T276-F278 PolarHBondContact O-N 3.42Å; F278-W282 WeakPolarHBondContact O-CB 3.49Å; F278-W282 PolarHBondContact O-N 2.86Å; F278-F558 AromaticContact CD1-CE2 3.72Å; F278-F558 HydrophobicContact CD1-CE2 3.72Å; F278-F558 AromaticContact CD1-CZ 3.99Å; F278-F558 HydrophobicContact CD1-CZ 3.99Å; F278-F558 HydrophobicContact CE1-CD2 4.33Å; F278-F558 AromaticContact CE1-CE2 3.57Å; F278-F558 HydrophobicContact CE1-CE2 3.57Å; F278-F558 AromaticContact CE1-CZ 4Å; F278-F558 HydrophobicContact CE1-CZ 4Å; F278-F558 HydrophobicContact CZ-CE2 4.36Å
279M90.4Very high90Very high9 Ų926.5 Ų26.54%0.04413%0.128CC..Hα-helixtrans-67-45.1-179-71.4-54.3-62.900112.6T275 T276 L277 W282 K283 I609 L612T275-M279 WeakPolarHBondContact O-CG 2.92Å; T275-M279 PolarHBondContact O-N 3.18Å; T276-M279 PolarHBondContact O-N 3.49Å; L277-M279 VanDerWaalsContact C-N 3.3Å; L277-M279 PolarHBondContact O-N 3.26Å; M279-W282 PolarHBondContact O-N 3.16Å; M279-K283 WeakPolarHBondContact O-CG 3.25Å; M279-K283 PolarHBondContact O-N 3.41Å; M279-I609 HydrophobicContact CE-CG2 4.26Å; M279-L612 HydrophobicContact CE-CB 3.54Å; M279-L612 HydrophobicContact CE-CD1 4.31Å; M279-L612 HydrophobicContact SD-CB 3.7Å; M279-L612 HydrophobicContact SD-CD1 4.31Å
280E89.6Confident89.8Confident11 Ų1123.4 Ų23.45%0.05111%0.114CC..Hα-helixtrans-67-41.4179.4-65.9-52.3137.100112T276 L277 W282 K283 R284 I737T276-E280 PolarHBondContact O-N 3.13Å; T276-E280 VanDerWaalsContact O-N 3.13Å; L277-E280 PolarHBondContact O-N 3.04Å; E280-W282 VanDerWaalsContact C-N 3.35Å; E280-W282 PolarHBondContact O-N 3.38Å; E280-K283 PolarHBondContact O-N 3.21Å; E280-K283 IonicContact OE1-NZ 3.43Å; E280-K283 PolarHBondContact OE1-NZ 2.84Å; E280-R284 WeakPolarHBondContact O-CB 2.87Å; E280-R284 PolarHBondContact O-N 3.12Å; E280-R284 VanDerWaalsContact O-N 3.12Å; E280-I737 HydrophobicContact CB-CB 4.31Å; E280-I737 HydrophobicContact CB-CD1 4.42Å; E280-I737 HydrophobicContact CB-CG2 4.14Å
281F90.8Very high89.4Confident73 Ų7323 Ų2332%0.3212%0.115SC..Hα-helixtrans-67.9-34.5174.2-70.5-55.1000112.6W194 L277 R284 H285 I737W194-F281 HydrophobicContact CZ2-CB 3.86Å; L277-F281 HydrophobicContact CB-CD2 4.09Å; L277-F281 HydrophobicContact CB-CE2 4Å; L277-F281 HydrophobicContact CD2-CE2 4.23Å; L277-F281 WeakPolarHBondContact O-CB 3.24Å; L277-F281 WeakPolarHBondContact O-CD2 3.39Å; L277-F281 WeakPolarHBondContact O-CG 3.49Å; L277-F281 PolarHBondContact O-N 2.92Å; F281-R284 PolarHBondContact O-N 3.37Å; F281-H285 VanDerWaalsContact O-CB 3.3Å; F281-H285 WeakPolarHBondContact O-CB 3.1Å; F281-H285 PolarHBondContact O-N 2.68Å; F281-I737 HydrophobicContact CD1-CG2 4.33Å; F281-I737 HydrophobicContact CE1-CD1 3.94Å; F281-I737 HydrophobicContact CE1-CG2 4.29Å; F281-I737 HydrophobicContact CE2-CD1 4.16Å; F281-I737 HydrophobicContact CZ-CD1 3.72Å
282W92.3Very high88.8Confident0 Ų026.9 Ų26.90%013%0.133CC..Hα-helixtrans-63.7-47.6174171.7-115.2000111.8L190 W191 W194 F278 M279 E280 R284 H285 L286 I605L190-W282 HydrophobicContact CB-CH2 4.33Å; L190-W282 HydrophobicContact CD2-CH2 4.22Å; L190-W282 HydrophobicContact CG-CH2 4.01Å; L190-W282 HydrophobicContact CG-CZ3 4.09Å; W191-W282 VanDerWaalsContact CA-CZ3 3.43Å; W191-W282 HydrophobicContact CB-CH2 3.41Å; W191-W282 VanDerWaalsContact CB-CH2 3.41Å; W191-W282 HydrophobicContact CB-CZ2 3.5Å; W191-W282 VanDerWaalsContact CB-CZ2 3.5Å; W191-W282 HydrophobicContact CB-CZ3 4.03Å; W191-W282 AromaticContact CD1-CD2 3.73Å; W191-W282 AromaticContact CD1-CE2 3.44Å; W191-W282 VanDerWaalsContact CD1-CE2 3.44Å; W191-W282 AromaticContact CD1-CZ2 3.69Å; W191-W282 AromaticContact CD1-NE1 3.68Å; W191-W282 HydrophobicContact CG-CH2 4.21Å; W191-W282 AromaticContact CG-CZ2 3.96Å; W191-W282 HydrophobicContact CG-CZ2 3.96Å; W191-W282 VanDerWaalsContact N-CH2 3.33Å; W194-W282 HydrophobicContact CB-CE3 3.84Å; W194-W282 HydrophobicContact CB-CZ3 3.84Å; W194-W282 AromaticContact CD1-CE3 3.53Å; W194-W282 AromaticContact CG-CE3 3.69Å; W194-W282 HydrophobicContact CG-CE3 3.69Å; W194-W282 HydrophobicContact CG-CZ3 4.15Å; F278-W282 WeakPolarHBondContact O-CB 3.49Å; F278-W282 PolarHBondContact O-N 2.86Å; M279-W282 PolarHBondContact O-N 3.16Å; E280-W282 VanDerWaalsContact C-N 3.35Å; E280-W282 PolarHBondContact O-N 3.38Å; W282-R284 PolarHBondContact O-N 3.27Å; W282-H285 HydrophobicContact CE3-CB 4.47Å; W282-H285 AromaticContact CZ3-CD2 3.89Å; W282-H285 PolarHBondContact O-N 2.77Å; W282-H285 VanDerWaalsContact O-N 3.14Å; W282-L286 HydrophobicContact CZ2-CB 4.32Å; W282-L286 HydrophobicContact CZ2-CD1 4.3Å; W282-L286 VanDerWaalsContact O-CB 3.31Å; W282-L286 WeakPolarHBondContact O-CB 3.17Å; W282-L286 PolarHBondContact O-N 2.95Å; W282-I605 HydrophobicContact CZ2-CG2 4.09Å
283K90.6Very high88.5Confident45 Ų4527.3 Ų27.320%0.19613%0.133CC..Hα-helixtrans-54.6-44.3175.4-72172.5-176.2172.50110.8M279 E280 A287 E613 P739M279-K283 WeakPolarHBondContact O-CG 3.25Å; M279-K283 PolarHBondContact O-N 3.41Å; E280-K283 PolarHBondContact O-N 3.21Å; E280-K283 IonicContact OE1-NZ 3.43Å; E280-K283 PolarHBondContact OE1-NZ 2.84Å; K283-A287 PolarHBondContact O-N 2.89Å; K283-E613 IonicContact NZ-OE2 2.72Å; K283-E613 PolarHBondContact NZ-OE2 3.35Å; K283-P739 CarbonylContact C-O 3.51Å; K283-P739 HydrophobicContact CB-CB 4.45Å
284R90Very high88Confident90 Ų9030.7 Ų30.734%0.3414%0.142SC..Hα-helixtrans-65.3-41.8177-175.3179164.5-179.7-4113.6E280 F281 W282 S288 P739 P741E280-R284 WeakPolarHBondContact O-CB 2.87Å; E280-R284 PolarHBondContact O-N 3.12Å; E280-R284 VanDerWaalsContact O-N 3.12Å; F281-R284 PolarHBondContact O-N 3.37Å; W282-R284 PolarHBondContact O-N 3.27Å; R284-S288 PolarHBondContact O-N 3.45Å; R284-S288 PolarHBondContact O-OG 3.03Å; R284-P739 WeakPolarHBondContact CA-O 3.22Å; R284-P739 PolarHBondContact N-O 3.26Å; R284-P741 HydrophobicContact CG-CG 3.65Å
285H87.9Confident87.4Confident5 Ų530.2 Ų30.22%0.02314%0.14CC..Hα-helixtrans-66.4-46.5178.5-169.763.9000111.2L13 W194 F281 W282 A287 S288 F289L13-H285 WeakPolarHBondContact CD1-CE1 3.48Å; W194-H285 HydrophobicContact CD2-CB 4.47Å; W194-H285 AromaticContact CE3-CD2 3.76Å; W194-H285 AromaticContact CE3-CE1 3.97Å; W194-H285 AromaticContact CE3-CG 3.91Å; W194-H285 AromaticContact CE3-NE2 3.8Å; W194-H285 AromaticContact CZ3-ND1 3.91Å; F281-H285 VanDerWaalsContact O-CB 3.3Å; F281-H285 WeakPolarHBondContact O-CB 3.1Å; F281-H285 PolarHBondContact O-N 2.68Å; W282-H285 HydrophobicContact CE3-CB 4.47Å; W282-H285 AromaticContact CZ3-CD2 3.89Å; W282-H285 PolarHBondContact O-N 2.77Å; W282-H285 VanDerWaalsContact O-N 3.14Å; H285-A287 PolarHBondContact O-N 2.93Å; H285-S288 WeakPolarHBondContact O-CB 3.13Å; H285-S288 PolarHBondContact O-N 2.76Å; H285-F289 AromaticContact CE1-CE2 3.44Å; H285-F289 VanDerWaalsContact CE1-CE2 3.44Å; H285-F289 WeakPolarHBondContact CE1-CE2 3.48Å; H285-F289 AromaticContact NE2-CD2 3.92Å; H285-F289 AromaticContact NE2-CE2 3.47Å; H285-F289 WeakPolarHBondContact NE2-CE2 3.47Å; H285-F289 PolarHBondContact O-N 2.82Å
286L90.3Very high86.8Confident12 Ų1232.8 Ų32.86%0.06316%0.156CC..Hα-helixtrans-55-48.5174.6175.165.4000111.8L187 W282 S288 F289 V290 I609L187-L286 HydrophobicContact CD1-CD1 4.13Å; L187-L286 HydrophobicContact CD2-CD1 3.46Å; L187-L286 VanDerWaalsContact CD2-CD1 3.46Å; L187-L286 HydrophobicContact CG-CD1 4.41Å; W282-L286 HydrophobicContact CZ2-CB 4.32Å; W282-L286 HydrophobicContact CZ2-CD1 4.3Å; W282-L286 VanDerWaalsContact O-CB 3.31Å; W282-L286 WeakPolarHBondContact O-CB 3.17Å; W282-L286 PolarHBondContact O-N 2.95Å; L286-S288 PolarHBondContact O-N 3.05Å; L286-S288 VanDerWaalsContact O-N 3.16Å; L286-F289 PolarHBondContact O-N 2.84Å; L286-V290 HydrophobicContact CD1-CG2 3.68Å; L286-V290 HydrophobicContact CG-CG2 4.05Å; L286-V290 WeakPolarHBondContact O-CB 3.46Å; L286-V290 VanDerWaalsContact O-CG2 3.25Å; L286-V290 WeakPolarHBondContact O-CG2 3.43Å; L286-V290 PolarHBondContact O-N 2.91Å; L286-I609 HydrophobicContact CD2-CD1 3.75Å
287A87.7Confident86.3Confident19 Ų1937.2 Ų37.216%0.15718%0.179CC..Hα-helixtrans-57.8-31.5-179.100000113.2K283 H285 C291 V740K283-A287 PolarHBondContact O-N 2.89Å; H285-A287 PolarHBondContact O-N 2.93Å; A287-C291 WeakPolarHBondContact O-CB 3.18Å; A287-C291 PolarHBondContact O-N 2.99Å; A287-C291 VanDerWaalsContact O-N 3.14Å; A287-V740 HydrophobicContact CB-CG1 4.36Å; A287-V740 HydrophobicContact CB-CG2 4.23Å
288S85.3Confident85.9Confident6 Ų635.3 Ų35.34%0.04217%0.168CC..Hα-helixtrans-70.8-49.2-179.9-47.70000111Q7 R284 H285 L286 C291 E292 P741Q7-S288 VanDerWaalsContact OE1-CB 3.24Å; Q7-S288 PolarHBondContact OE1-OG 3.35Å; R284-S288 PolarHBondContact O-N 3.45Å; R284-S288 PolarHBondContact O-OG 3.03Å; H285-S288 WeakPolarHBondContact O-CB 3.13Å; H285-S288 PolarHBondContact O-N 2.76Å; L286-S288 PolarHBondContact O-N 3.05Å; L286-S288 VanDerWaalsContact O-N 3.16Å; S288-C291 PolarHBondContact O-N 2.96Å; S288-E292 PolarHBondContact O-N 3.35Å; S288-P741 WeakPolarHBondContact OG-CG 3.36Å
289F86.6Confident85.5Confident0 Ų036.9 Ų36.90%018%0.179CC..Hα-helixtrans-66.8-39.3177.1-84.5-85000112.9I10 L190 H285 L286 C291 E292 W293I10-F289 HydrophobicContact CD1-CE2 4.29Å; I10-F289 HydrophobicContact CD1-CZ 4.38Å; I10-F289 HydrophobicContact CG1-CE2 4.26Å; I10-F289 HydrophobicContact CG1-CZ 4.43Å; L190-F289 HydrophobicContact CD1-CD2 4Å; L190-F289 HydrophobicContact CD1-CE1 4.35Å; L190-F289 HydrophobicContact CD1-CE2 3.74Å; L190-F289 HydrophobicContact CD1-CG 4.42Å; L190-F289 HydrophobicContact CD1-CZ 3.92Å; L190-F289 HydrophobicContact CD2-CB 3.86Å; L190-F289 HydrophobicContact CD2-CD1 4.23Å; L190-F289 HydrophobicContact CD2-CD2 3.65Å; L190-F289 HydrophobicContact CD2-CE2 4.27Å; L190-F289 HydrophobicContact CD2-CG 3.62Å; L190-F289 HydrophobicContact CG-CD2 4.44Å; H285-F289 AromaticContact CE1-CE2 3.44Å; H285-F289 VanDerWaalsContact CE1-CE2 3.44Å; H285-F289 WeakPolarHBondContact CE1-CE2 3.48Å; H285-F289 AromaticContact NE2-CD2 3.92Å; H285-F289 AromaticContact NE2-CE2 3.47Å; H285-F289 WeakPolarHBondContact NE2-CE2 3.47Å; H285-F289 PolarHBondContact O-N 2.82Å; L286-F289 PolarHBondContact O-N 2.84Å; F289-C291 VanDerWaalsContact C-N 3.28Å; F289-C291 PolarHBondContact O-N 3.42Å; F289-E292 PolarHBondContact O-N 2.93Å; F289-W293 HydrophobicContact CB-CZ2 4.22Å; F289-W293 AromaticContact CD1-CE2 3.84Å; F289-W293 AromaticContact CD1-CZ2 3.62Å; F289-W293 HydrophobicContact CD1-CZ2 3.62Å; F289-W293 AromaticContact CD1-NE1 3.79Å; F289-W293 HydrophobicContact CE1-CZ2 4.44Å; F289-W293 HydrophobicContact CG-CZ2 4.3Å; F289-W293 WeakPolarHBondContact O-CB 3.31Å; F289-W293 VanDerWaalsContact O-CD1 3.3Å; F289-W293 PolarHBondContact O-N 3.4Å
290V86.4Confident85.3Confident10 Ų1038.4 Ų38.46%0.06119%0.186CC..Hα-helixtrans-63.3-36.8177.7165.60000111.3L286 R294 V295 T296 N603L286-V290 HydrophobicContact CD1-CG2 3.68Å; L286-V290 HydrophobicContact CG-CG2 4.05Å; L286-V290 WeakPolarHBondContact O-CB 3.46Å; L286-V290 VanDerWaalsContact O-CG2 3.25Å; L286-V290 WeakPolarHBondContact O-CG2 3.43Å; L286-V290 PolarHBondContact O-N 2.91Å; V290-R294 PolarHBondContact O-N 3.27Å; V290-V295 HydrophobicContact CG1-CG2 4.1Å; V290-V295 PolarHBondContact O-N 3.04Å; V290-T296 HydrophobicContact CG1-CG2 3.88Å; V290-N603 HydrophobicContact CG1-CB 4.02Å; V290-N603 WeakPolarHBondContact CG2-O 3.47Å
291C82.6Confident84.9Confident30 Ų3039.5 Ų39.520%0.20320%0.195CC..Hα-helixtrans-67.6-48172.4-173.80000112.1A287 S288 F289 W293 R294 T296 V744A287-C291 WeakPolarHBondContact O-CB 3.18Å; A287-C291 PolarHBondContact O-N 2.99Å; A287-C291 VanDerWaalsContact O-N 3.14Å; S288-C291 PolarHBondContact O-N 2.96Å; F289-C291 VanDerWaalsContact C-N 3.28Å; F289-C291 PolarHBondContact O-N 3.42Å; C291-W293 PolarHBondContact O-N 3.07Å; C291-R294 WeakPolarHBondContact O-CA 3.44Å; C291-R294 PolarHBondContact O-N 2.93Å; C291-T296 HydrophobicContact CB-CG2 4.01Å; C291-V744 HydrophobicContact CB-CG1 3.58Å
292E80.8Confident84.5Confident83 Ų8340.3 Ų40.339%0.38820%0.2SC..Hα-helixtrans-58.4-38177.9-176175.2-177.600112.2S288 F289 R294S288-E292 PolarHBondContact O-N 3.35Å; F289-E292 PolarHBondContact O-N 2.93Å; E292-R294 PolarHBondContact O-N 3.01Å
293W82.2Confident84.2Confident18 Ų1841.1 Ų41.17%0.06820%0.204CC..THydrogen-bonded Turntrans-80.3-1178.1-59.6-1.7000113.3V174 R178 E183 A186 L187 F289 C291 V295V174-W293 HydrophobicContact CG1-CH2 3.94Å; V174-W293 HydrophobicContact CG1-CZ2 3.67Å; R178-W293 HydrophobicContact CG-CD2 4.4Å; R178-W293 HydrophobicContact CG-CE3 4.44Å; E183-W293 HydrophobicContact CB-CE3 4.27Å; E183-W293 HydrophobicContact CB-CZ3 4.34Å; E183-W293 HydrophobicContact CG-CE3 4.11Å; A186-W293 HydrophobicContact CB-CH2 3.65Å; A186-W293 HydrophobicContact CB-CZ2 4.38Å; A186-W293 HydrophobicContact CB-CZ3 4.13Å; L187-W293 HydrophobicContact CD2-CE3 4.49Å; L187-W293 HydrophobicContact CD2-CH2 3.87Å; L187-W293 HydrophobicContact CD2-CZ3 3.52Å; L187-W293 HydrophobicContact CG-CH2 4.39Å; L187-W293 HydrophobicContact CG-CZ3 3.82Å; F289-W293 HydrophobicContact CB-CZ2 4.22Å; F289-W293 AromaticContact CD1-CE2 3.84Å; F289-W293 AromaticContact CD1-CZ2 3.62Å; F289-W293 HydrophobicContact CD1-CZ2 3.62Å; F289-W293 AromaticContact CD1-NE1 3.79Å; F289-W293 HydrophobicContact CE1-CZ2 4.44Å; F289-W293 HydrophobicContact CG-CZ2 4.3Å; F289-W293 WeakPolarHBondContact O-CB 3.31Å; F289-W293 VanDerWaalsContact O-CD1 3.3Å; F289-W293 PolarHBondContact O-N 3.4Å; C291-W293 PolarHBondContact O-N 3.07Å; W293-V295 VanDerWaalsContact C-N 3.28Å; W293-V295 HydrophobicContact CB-CG2 4Å; W293-V295 PolarHBondContact O-N 3.26Å
294R79Confident84Confident136 Ų13640.5 Ų40.551%0.51320%0.201SC..THydrogen-bonded Turntrans53.941.5-178.4-55.9-176.1-178.1174.23.6113.2V290 C291 E292V290-R294 PolarHBondContact O-N 3.27Å; C291-R294 WeakPolarHBondContact O-CA 3.44Å; C291-R294 PolarHBondContact O-N 2.93Å; E292-R294 PolarHBondContact O-N 3.01Å
295V80.3Confident83.8Confident4 Ų439.7 Ų39.72%0.02420%0.204CC..  trans-118.218.1177.7-66.10000112.3V290 W293 D297 W298 N603V290-V295 HydrophobicContact CG1-CG2 4.1Å; V290-V295 PolarHBondContact O-N 3.04Å; W293-V295 VanDerWaalsContact C-N 3.28Å; W293-V295 HydrophobicContact CB-CG2 4Å; W293-V295 PolarHBondContact O-N 3.26Å; V295-D297 PolarHBondContact O-N 3.28Å; V295-W298 HydrophobicContact CB-CB 4.13Å; V295-W298 VanDerWaalsContact O-CB 3.25Å; V295-W298 WeakPolarHBondContact O-CB 3.36Å; V295-W298 PolarHBondContact O-N 3.01Å; V295-N603 WeakPolarHBondContact O-CB 3.29Å
296T79.9Confident83.7Confident59 Ų5940.1 Ų40.136%0.36221%0.206SC..THydrogen-bonded Turntrans-53.4-54.4-179.443.30000113.3V290 C291 W298 N603V290-T296 HydrophobicContact CG1-CG2 3.88Å; C291-T296 HydrophobicContact CB-CG2 4.01Å; T296-W298 PolarHBondContact O-N 2.88Å; T296-N603 PolarHBondContact O-ND2 3.42Å
297D77.1Confident83.6Confident113 Ų11339.8 Ų39.860%0.60420%0.204SC*.THydrogen-bonded Turntrans-91.315.7-174.3-54.9-68.7000112.2V295 S299V295-D297 PolarHBondContact O-N 3.28Å; D297-S299 PolarHBondContact O-N 3.21Å
298W82.9Confident83.6Confident17 Ų1739.9 Ų39.96%0.06420%0.201CC..  trans-69.4122.2-176-167.6-93.1000112.3L95 V295 T296 E303 K601 N603L95-W298 HydrophobicContact CD1-CH2 3.66Å; L95-W298 HydrophobicContact CD1-CZ3 3.86Å; L95-W298 HydrophobicContact CD2-CH2 4.07Å; L95-W298 HydrophobicContact CD2-CZ3 4.05Å; L95-W298 HydrophobicContact CG-CZ3 4.47Å; V295-W298 HydrophobicContact CB-CB 4.13Å; V295-W298 VanDerWaalsContact O-CB 3.25Å; V295-W298 WeakPolarHBondContact O-CB 3.36Å; V295-W298 PolarHBondContact O-N 3.01Å; T296-W298 PolarHBondContact O-N 2.88Å; W298-E303 HydrophobicContact CZ2-CB 3.94Å; W298-E303 VanDerWaalsContact CZ2-CD 3.45Å; W298-E303 HydrophobicContact CZ2-CG 4.21Å; W298-E303 WeakPolarHBondContact CZ2-OE2 3.33Å; W298-K601 HydrophobicContact CD2-CB 4.42Å; W298-K601 HydrophobicContact CD2-CD 4.31Å; W298-K601 HydrophobicContact CE3-CD 4.42Å; W298-K601 HydrophobicContact CH2-CD 3.8Å; W298-K601 HydrophobicContact CZ2-CB 4.1Å; W298-K601 HydrophobicContact CZ2-CD 3.63Å; W298-K601 HydrophobicContact CZ2-CG 4.44Å; W298-K601 HydrophobicContact CZ3-CD 4.19Å; W298-N603 HydrophobicContact CB-CB 4.35Å; W298-N603 PolarHBondContact O-ND2 3.39Å
299S84Confident83.7Confident34 Ų3443.3 Ų43.324%0.23822%0.219CC..  trans-106.7113.6172.6178.20000111D297 S301 E302 E303D297-S299 PolarHBondContact O-N 3.21Å; S299-S301 PolarHBondContact O-N 3.42Å; S299-S301 PolarHBondContact OG-OG 2.81Å; S299-S301 VanDerWaalsContact OG-OG 3.07Å; S299-E302 PolarHBondContact O-N 3.36Å; S299-E302 PolarHBondContact OG-N 3.21Å; S299-E303 PolarHBondContact O-N 2.88Å; S299-E303 VanDerWaalsContact O-N 3.13Å
300E84.3Confident83.8Confident41 Ų4144.2 Ų44.219%0.19222%0.224CC..Hα-helixtrans-57.8-32.9175.5-66.9179.3-178.400112E304 A405 T602E300-E304 PolarHBondContact O-N 2.67Å; E300-A405 HydrophobicContact CB-CB 4.27Å; E300-A405 WeakPolarHBondContact OE2-CB 3.33Å; E300-T602 VanDerWaalsContact OE1-CB 3.23Å; E300-T602 WeakPolarHBondContact OE1-CB 3.19Å; E300-T602 PolarHBondContact OE1-OG1 3.21Å
301S82.3Confident83.8Confident35 Ų3545 Ų4525%0.24523%0.228CC..Hα-helixtrans-76.9-28.5-176.676.50000113.5S299 L305S299-S301 PolarHBondContact O-N 3.42Å; S299-S301 PolarHBondContact OG-OG 2.81Å; S299-S301 VanDerWaalsContact OG-OG 3.07Å; S301-L305 PolarHBondContact O-N 2.96Å
302E83.1Confident83.9Confident90 Ų9047.2 Ų47.242%0.42124%0.238SC..Hα-helixtrans-75.8-40.9172-70.9174.7-166.200110.6S299 E304 L305 I306S299-E302 PolarHBondContact O-N 3.36Å; S299-E302 PolarHBondContact OG-N 3.21Å; E302-E304 PolarHBondContact O-N 2.95Å; E302-L305 WeakPolarHBondContact O-CB 3.48Å; E302-L305 PolarHBondContact O-N 3.37Å; E302-L305 VanDerWaalsContact O-N 3.17Å; E302-I306 WeakPolarHBondContact O-CG1 3.35Å; E302-I306 PolarHBondContact O-N 3.41Å
303E85.2Confident84Confident16 Ų1647.3 Ų47.38%0.07525%0.253CS..Hα-helixtrans-58.9-46.7173.8166.1163.2-122.800111.9Y91 R117 W298 S299 L305 I306 L307Y91-E303 PolarHBondContact OH-OE1 2.95Å; R117-E303 IonicContact CZ-OE1 3.97Å; R117-E303 IonicContact CZ-OE2 2.61Å; R117-E303 IonicContact NE-OE1 3.1Å; R117-E303 PolarHBondContact NE-OE1 3.24Å; R117-E303 IonicContact NH1-OE1 3.5Å; R117-E303 PolarHBondContact NH1-OE1 3.02Å; R117-E303 IonicContact NH1-OE2 3.6Å; R117-E303 PolarHBondContact NH1-OE2 3.17Å; R117-E303 IonicContact NH2-OE1 3.15Å; R117-E303 PolarHBondContact NH2-OE1 3.16Å; W298-E303 HydrophobicContact CZ2-CB 3.94Å; W298-E303 VanDerWaalsContact CZ2-CD 3.45Å; W298-E303 HydrophobicContact CZ2-CG 4.21Å; W298-E303 WeakPolarHBondContact CZ2-OE2 3.33Å; S299-E303 PolarHBondContact O-N 2.88Å; S299-E303 VanDerWaalsContact O-N 3.13Å; E303-L305 PolarHBondContact O-N 3.3Å; E303-I306 PolarHBondContact O-N 3.45Å; E303-L307 HydrophobicContact CG-CD1 3.66Å; E303-L307 HydrophobicContact CG-CG 4.17Å; E303-L307 WeakPolarHBondContact O-CB 3.43Å; E303-L307 VanDerWaalsContact O-CG 3.28Å; E303-L307 WeakPolarHBondContact O-CG 3.47Å; E303-L307 PolarHBondContact O-N 2.99Å
304E85.6Confident84Confident32 Ų3254.8 Ų54.815%0.1529%0.288CS..Hα-helixtrans-56.9-40.5176.9-78.9-170.8-16000111E300 E302 L307 E308 T403 F404 A405E300-E304 PolarHBondContact O-N 2.67Å; E302-E304 PolarHBondContact O-N 2.95Å; E304-L307 PolarHBondContact O-N 3.28Å; E304-E308 WeakPolarHBondContact O-CG 3.21Å; E304-E308 PolarHBondContact O-N 2.98Å; E304-T403 WeakPolarHBondContact OE2-CB 3.38Å; E304-F404 PolarHBondContact OE1-N 3.1Å; E304-F404 PolarHBondContact OE2-N 2.74Å; E304-F404 VanDerWaalsContact OE2-N 3.15Å; E304-A405 PolarHBondContact OE1-N 3.36Å; E304-A405 VanDerWaalsContact OE1-N 3.11Å
305L86.2Confident84.1Confident74 Ų7450.8 Ų50.839%0.38728%0.281SS..Hα-helixtrans-65.3-45.3176.7-177.969.8000112.3S301 E302 E303 L307 E308 L309 P317S301-L305 PolarHBondContact O-N 2.96Å; E302-L305 WeakPolarHBondContact O-CB 3.48Å; E302-L305 PolarHBondContact O-N 3.37Å; E302-L305 VanDerWaalsContact O-N 3.17Å; E303-L305 PolarHBondContact O-N 3.3Å; L305-L307 VanDerWaalsContact C-N 3.26Å; L305-L307 PolarHBondContact O-N 3.3Å; L305-E308 PolarHBondContact O-N 3.32Å; L305-L309 PolarHBondContact O-N 2.04Å; L305-P317 HydrophobicContact CD1-CB 4.15Å
306I86.9Confident84.1Confident13 Ų1361.3 Ų61.37%0.06732%0.32CS..Hα-helixtrans-59.3-41.8176-67.9166.1000110Y91 L94 L95 E302 E303 L309 V310Y91-I306 HydrophobicContact CD2-CG2 3.71Å; Y91-I306 HydrophobicContact CE2-CG2 4.02Å; L94-I306 HydrophobicContact CB-CG2 3.82Å; L94-I306 HydrophobicContact CD1-CG2 4.26Å; L95-I306 HydrophobicContact CD1-CD1 3.82Å; E302-I306 WeakPolarHBondContact O-CG1 3.35Å; E302-I306 PolarHBondContact O-N 3.41Å; E303-I306 PolarHBondContact O-N 3.45Å; I306-L309 PolarHBondContact O-N 3.25Å; I306-V310 HydrophobicContact CG2-CG2 4.3Å; I306-V310 WeakPolarHBondContact O-CB 3.37Å; I306-V310 VanDerWaalsContact O-CG2 3.23Å; I306-V310 WeakPolarHBondContact O-CG2 3.21Å; I306-V310 PolarHBondContact O-N 3.44Å
307L88Confident84Confident6 Ų662 Ų623%0.03133%0.326CS..Hα-helixtrans-68.7-36.7178.5-69.7170.2000112.5Y91 I118 F121 E303 E304 L305 L309 V310 N311Y91-L307 HydrophobicContact CD2-CD2 3.73Å; Y91-L307 HydrophobicContact CD2-CG 4.39Å; Y91-L307 HydrophobicContact CE2-CD2 3.74Å; Y91-L307 HydrophobicContact CE2-CG 4.1Å; I118-L307 HydrophobicContact CB-CD2 4.28Å; I118-L307 HydrophobicContact CG1-CD2 3.95Å; I118-L307 HydrophobicContact CG2-CD2 4.17Å; F121-L307 HydrophobicContact CB-CB 4.48Å; F121-L307 HydrophobicContact CB-CD1 4.02Å; F121-L307 HydrophobicContact CB-CD2 4.47Å; F121-L307 HydrophobicContact CD1-CB 3.5Å; F121-L307 VanDerWaalsContact CD1-CB 3.5Å; F121-L307 HydrophobicContact CD1-CD1 4.48Å; F121-L307 HydrophobicContact CD1-CG 4.43Å; F121-L307 HydrophobicContact CD2-CB 3.99Å; F121-L307 HydrophobicContact CD2-CD1 3.78Å; F121-L307 VanDerWaalsContact CE1-C 3.43Å; F121-L307 HydrophobicContact CE1-CB 3.56Å; F121-L307 WeakPolarHBondContact CE1-O 3.48Å; F121-L307 HydrophobicContact CE2-CB 4.04Å; F121-L307 HydrophobicContact CE2-CD1 4.38Å; F121-L307 HydrophobicContact CG-CB 3.72Å; F121-L307 HydrophobicContact CG-CD1 3.83Å; F121-L307 HydrophobicContact CG-CG 4.26Å; F121-L307 HydrophobicContact CZ-CB 3.85Å; E303-L307 HydrophobicContact CG-CD1 3.66Å; E303-L307 HydrophobicContact CG-CG 4.17Å; E303-L307 WeakPolarHBondContact O-CB 3.43Å; E303-L307 VanDerWaalsContact O-CG 3.28Å; E303-L307 WeakPolarHBondContact O-CG 3.47Å; E303-L307 PolarHBondContact O-N 2.99Å; E304-L307 PolarHBondContact O-N 3.28Å; L305-L307 VanDerWaalsContact C-N 3.26Å; L305-L307 PolarHBondContact O-N 3.3Å; L307-L309 VanDerWaalsContact C-N 3.34Å; L307-V310 PolarHBondContact O-N 3.33Å; L307-N311 VanDerWaalsContact O-CB 3.3Å; L307-N311 WeakPolarHBondContact O-CB 3.4Å; L307-N311 PolarHBondContact O-N 3.41Å
308E87.7Confident84.1Confident20 Ų2061.5 Ų61.59%0.09332%0.318CS..Hα-helixtrans-59-46.2170.3-73.8-175.8162.400110.3F121 E304 L305 N311 D312 K318F121-E308 HydrophobicContact CE1-CG 4.24Å; F121-E308 HydrophobicContact CZ-CG 3.72Å; E304-E308 WeakPolarHBondContact O-CG 3.21Å; E304-E308 PolarHBondContact O-N 2.98Å; L305-E308 PolarHBondContact O-N 3.32Å; E308-N311 PolarHBondContact O-N 2.83Å; E308-D312 PolarHBondContact O-N 2.69Å; E308-K318 IonicContact OE1-NZ 2.69Å; E308-K318 PolarHBondContact OE1-NZ 3.13Å
309L87.4Confident84Confident78 Ų7867.8 Ų67.841%0.40835%0.35SS..Hα-helixtrans-67.7-37.4179.6-171.365.5000113.4L94 L305 I306 L307 N311 D312L94-L309 HydrophobicContact CD1-CD2 3.87Å; L94-L309 HydrophobicContact CD1-CG 4.26Å; L94-L309 HydrophobicContact CD2-CD2 3.95Å; L305-L309 PolarHBondContact O-N 2.04Å; I306-L309 PolarHBondContact O-N 3.25Å; L307-L309 VanDerWaalsContact C-N 3.34Å; L309-N311 VanDerWaalsContact C-N 3.32Å; L309-D312 WeakPolarHBondContact CA-O 3.16Å; L309-D312 CarbonylContact O-C 3.35Å
310V87.5Confident83.7Confident19 Ų1974.8 Ų74.812%0.11537%0.373CS..Hα-helixtrans-67.3-35.8174.5170.10000111.1I87 K90 L94 I122 I306 L307I87-V310 HydrophobicContact CG2-CG1 3.75Å; K90-V310 HydrophobicContact CB-CG2 4.49Å; L94-V310 HydrophobicContact CD1-CG2 3.72Å; I122-V310 HydrophobicContact CD1-CG1 4.45Å; I306-V310 HydrophobicContact CG2-CG2 4.3Å; I306-V310 WeakPolarHBondContact O-CB 3.37Å; I306-V310 VanDerWaalsContact O-CG2 3.23Å; I306-V310 WeakPolarHBondContact O-CG2 3.21Å; I306-V310 PolarHBondContact O-N 3.44Å; L307-V310 PolarHBondContact O-N 3.33Å
311N86.9Confident83.4Confident27 Ų2781.8 Ų81.814%0.14440%0.402CS..Hα-helixtrans-72.8-42.6177.618048.8000111.8K64 I122 L307 E308 L309K64-N311 PolarHBondContact NZ-O 3.34Å; K64-N311 PolarHBondContact NZ-OD1 2.75Å; I122-N311 HydrophobicContact CG1-CB 4.36Å; L307-N311 VanDerWaalsContact O-CB 3.3Å; L307-N311 WeakPolarHBondContact O-CB 3.4Å; L307-N311 PolarHBondContact O-N 3.41Å; E308-N311 PolarHBondContact O-N 2.83Å; L309-N311 VanDerWaalsContact C-N 3.32Å
312D85.3Confident83.3Confident77 Ų7786.1 Ų86.141%0.41242%0.418SS..  trans-146.4116.6-179.3-173.6-4.1000110.6E308 L309 E314 C315E308-D312 PolarHBondContact O-N 2.69Å; L309-D312 WeakPolarHBondContact CA-O 3.16Å; L309-D312 CarbonylContact O-C 3.35Å; D312-E314 VanDerWaalsContact C-N 3.28Å; D312-E314 PolarHBondContact O-N 3.33Å; D312-E314 PolarHBondContact OD1-N 3.12Å; D312-C315 HydrophobicContact CB-CB 4.25Å; D312-C315 VanDerWaalsContact O-CB 3.28Å; D312-C315 WeakPolarHBondContact O-CB 3.48Å; D312-C315 PolarHBondContact O-N 2.85Å
313A83.4Confident83.4Confident84 Ų8484 Ų8469%0.69441%0.414SS*.THydrogen-bonded Turntrans-71.8-22.2-177.600000113C315A313-C315 VanDerWaalsContact C-N 3.32Å
314E81.9Confident83.5Confident175 Ų17592.2 Ų92.282%0.81845%0.446SS*.THydrogen-bonded Turntrans-92.86.1179.4-62.4-175.8-177.900112.4D312 R316D312-E314 VanDerWaalsContact C-N 3.28Å; D312-E314 PolarHBondContact O-N 3.33Å; D312-E314 PolarHBondContact OD1-N 3.12Å; E314-R316 PolarHBondContact O-N 2.98Å
315C80.1Confident83.7Confident53 Ų5397.5 Ų97.536%0.35847%0.474SS..PPolyproline II helixtrans-62.8130.1-179.5-164.20000111.2D312 A313D312-C315 HydrophobicContact CB-CB 4.25Å; D312-C315 VanDerWaalsContact O-CB 3.28Å; D312-C315 WeakPolarHBondContact O-CB 3.48Å; D312-C315 PolarHBondContact O-N 2.85Å; A313-C315 VanDerWaalsContact C-N 3.32Å
316R79.9Confident83.7Confident224 Ų22499.1 Ų99.185%0.84548%0.475SS*.PPolyproline II helixtrans-87.7133.1171.9-66.4-172.1-178.1-168.40.4110E314 K318E314-R316 PolarHBondContact O-N 2.98Å; R316-K318 PolarHBondContact O-N 3.44Å
317P78.6Confident83.8Confident74 Ų74101.6 Ų101.648%0.48149%0.491SS..PPolyproline II helixtrans-61.9136.6177.926.4-33.9000110.4L305 M319L305-P317 HydrophobicContact CD1-CB 4.15Å; P317-M319 PolarHBondContact O-N 2.85Å
318K79.6Confident83.9Confident103 Ų103103.5 Ų103.545%0.44851%0.507SS..PPolyproline II helixtrans-67.5122.8172.4-66.7172.2-172.3136.10109.4E308 R316 R402E308-K318 IonicContact OE1-NZ 2.69Å; E308-K318 PolarHBondContact OE1-NZ 3.13Å; R316-K318 PolarHBondContact O-N 3.44Å; K318-R402 HydrophobicContact CB-CG 3.76Å; K318-R402 HydrophobicContact CD-CG 4.48Å; K318-R402 WeakPolarHBondContact O-CD 3.39Å
319M80.8Confident84.2Confident148 Ų148106.6 Ų106.673%0.72952%0.524SS*.PPolyproline II helixtrans-74.3150.1178.4-63.6-63.7-176.300112.1P317 K321P317-M319 PolarHBondContact O-N 2.85Å; M319-K321 PolarHBondContact O-N 3.03Å
320Y77.6Confident84.4Confident182 Ų182103.3 Ų103.371%0.71451%0.507SS*.PPolyproline II helixtrans-66.7125.7170.9-68.4-90.5000110.1
321K78.6Confident84.6Confident187 Ų187108.2 Ų108.281%0.81353%0.532SS*.  trans-125.6126.5173.7-66-177.4-178.7178.50108.4M319M319-K321 PolarHBondContact O-N 3.03Å
322H78.4Confident84.9Confident126 Ų126112 Ų11258%0.58355%0.551SS**  trans-119.3131.4171.7-168.969.5000109.1Y324H322-Y324 AromaticContact CD2-CE1 3.77Å; H322-Y324 AromaticContact CD2-CZ 3.79Å; H322-Y324 AromaticContact NE2-CD1 3.65Å; H322-Y324 AromaticContact NE2-CE1 3.57Å
323S86.1Confident85.3Confident47 Ų47110.8 Ų110.833%0.32955%0.548SS..  trans-129.8105.4178.2-179.50000109.2L325 R326 T327S323-L325 PolarHBondContact O-N 3.23Å; S323-R326 PolarHBondContact O-N 3.41Å; S323-R326 VanDerWaalsContact O-N 3.11Å; S323-T327 PolarHBondContact O-N 2.96Å; S323-T327 PolarHBondContact O-OG1 2.9Å
324Y87.1Confident85.7Confident188 Ų188107.8 Ų107.874%0.73752%0.521SS*.Hα-helixtrans-56.2-36.9179-66.3-75.8000112.5H322 R326 T327 A328H322-Y324 AromaticContact CD2-CE1 3.77Å; H322-Y324 AromaticContact CD2-CZ 3.79Å; H322-Y324 AromaticContact NE2-CD1 3.65Å; H322-Y324 AromaticContact NE2-CE1 3.57Å; Y324-R326 PolarHBondContact O-N 3.4Å; Y324-T327 PolarHBondContact O-N 3.44Å; Y324-A328 VanDerWaalsContact O-CB 3.25Å; Y324-A328 WeakPolarHBondContact O-CB 3.17Å; Y324-A328 PolarHBondContact O-N 3.46Å
325L88.8Confident86.3Confident142 Ų142104.3 Ų104.374%0.74351%0.508SS*.Hα-helixtrans-61.7-45.1177.6-174.672.1000111.8S323 L329S323-L325 PolarHBondContact O-N 3.23Å; L325-L329 WeakPolarHBondContact O-CB 3.37Å; L325-L329 PolarHBondContact O-N 3.25Å
326R87.8Confident86.9Confident108 Ų108105.6 Ų105.641%0.40851%0.514SS..Hα-helixtrans-68.8-42.1179-67.3-177.5179.5-176-3.9111.4S323 Y324 L329 V330 E400S323-R326 PolarHBondContact O-N 3.41Å; S323-R326 VanDerWaalsContact O-N 3.11Å; Y324-R326 PolarHBondContact O-N 3.4Å; R326-L329 PolarHBondContact O-N 3.06Å; R326-V330 WeakPolarHBondContact O-CB 3.26Å; R326-V330 VanDerWaalsContact O-CG2 3.29Å; R326-V330 WeakPolarHBondContact O-CG2 3.49Å; R326-V330 PolarHBondContact O-N 3.02Å; R326-E400 IonicContact CZ-OE2 2.97Å; R326-E400 IonicContact NH1-OE2 3.45Å; R326-E400 PolarHBondContact NH1-OE2 3.38Å; R326-E400 IonicContact NH2-OE2 3.03Å; R326-E400 PolarHBondContact NH2-OE2 2.93Å
327T88.2Confident87.5Confident65 Ų6596 Ų9640%0.39948%0.479SS..Hα-helixtrans-62.3-44.2176.4-57.20000111.3S323 Y324 V330 L331S323-T327 PolarHBondContact O-N 2.96Å; S323-T327 PolarHBondContact O-OG1 2.9Å; Y324-T327 PolarHBondContact O-N 3.44Å; T327-V330 PolarHBondContact O-N 3.15Å; T327-L331 WeakPolarHBondContact O-CB 3.36Å; T327-L331 PolarHBondContact O-N 2.91Å
328A90.6Very high88.1Confident46 Ų4693.6 Ų93.638%0.3846%0.462SS..Hα-helixtrans-62.8-44.3175.400000111.9Y324 V330 L331 I332Y324-A328 VanDerWaalsContact O-CB 3.25Å; Y324-A328 WeakPolarHBondContact O-CB 3.17Å; Y324-A328 PolarHBondContact O-N 3.46Å; A328-V330 PolarHBondContact O-N 3.21Å; A328-L331 PolarHBondContact O-N 3Å; A328-I332 VanDerWaalsContact O-CG1 3.31Å; A328-I332 WeakPolarHBondContact O-CG1 3.2Å; A328-I332 PolarHBondContact O-N 3.49Å
329L92.8Very high88.7Confident86 Ų8693.8 Ų93.845%0.4547%0.467SS..Hα-helixtrans-60.1-45.9175.6-178.8121.9000111.8L325 R326 L331 I332 C333 I398L325-L329 WeakPolarHBondContact O-CB 3.37Å; L325-L329 PolarHBondContact O-N 3.25Å; R326-L329 PolarHBondContact O-N 3.06Å; L329-L331 VanDerWaalsContact C-N 3.33Å; L329-L331 PolarHBondContact O-N 3.43Å; L329-I332 PolarHBondContact O-N 2.92Å; L329-C333 PolarHBondContact O-N 3.35Å; L329-C333 PolarHBondContact O-SG 3.15Å; L329-I398 HydrophobicContact CD2-CG2 3.82Å
330V91.6Very high89.2Confident9 Ų990.2 Ų90.26%0.05545%0.453CS..Hα-helixtrans-61.4-42.6176.2170.80000110.7R326 T327 A328 C333 V334 I398 K414R326-V330 WeakPolarHBondContact O-CB 3.26Å; R326-V330 VanDerWaalsContact O-CG2 3.29Å; R326-V330 WeakPolarHBondContact O-CG2 3.49Å; R326-V330 PolarHBondContact O-N 3.02Å; T327-V330 PolarHBondContact O-N 3.15Å; A328-V330 PolarHBondContact O-N 3.21Å; V330-C333 PolarHBondContact O-N 3.5Å; V330-V334 HydrophobicContact CG1-CG2 4.38Å; V330-V334 VanDerWaalsContact O-CG2 3.26Å; V330-V334 WeakPolarHBondContact O-CG2 3.41Å; V330-V334 PolarHBondContact O-N 3.4Å; V330-I398 HydrophobicContact CG2-CB 4.31Å; V330-I398 HydrophobicContact CG2-CG2 3.93Å; V330-K414 VanDerWaalsContact CG1-CE 3.49Å
331L92Very high89.7Confident121 Ų12181.6 Ų81.663%0.63442%0.42SS*.Hα-helixtrans-61.9-44.9177.3-17666.3000112T327 A328 L329 V334 L335T327-L331 WeakPolarHBondContact O-CB 3.36Å; T327-L331 PolarHBondContact O-N 2.91Å; A328-L331 PolarHBondContact O-N 3Å; L329-L331 VanDerWaalsContact C-N 3.33Å; L329-L331 PolarHBondContact O-N 3.43Å; L331-V334 PolarHBondContact O-N 2.9Å; L331-L335 PolarHBondContact O-N 3.47Å
332I93.4Very high90.2Very high107 Ų10775.1 Ų75.155%0.54939%0.393SS..Hα-helixtrans-61.2-46.6175.7-67.8168000110.3A328 L329 V334 L335 V336A328-I332 VanDerWaalsContact O-CG1 3.31Å; A328-I332 WeakPolarHBondContact O-CG1 3.2Å; A328-I332 PolarHBondContact O-N 3.49Å; L329-I332 PolarHBondContact O-N 2.92Å; I332-V334 VanDerWaalsContact C-N 3.31Å; I332-V334 PolarHBondContact O-N 3.47Å; I332-L335 PolarHBondContact O-N 3.06Å; I332-V336 HydrophobicContact CG2-CG2 4.37Å; I332-V336 WeakPolarHBondContact O-CG2 3.44Å; I332-V336 PolarHBondContact O-N 3.33Å
333C93.7Very high90.5Very high51 Ų5171.1 Ų71.135%0.34539%0.386SS..Hα-helixtrans-62.5-37.5177.7-68.30000112.6L329 V330 M337 L395L329-C333 PolarHBondContact O-N 3.35Å; L329-C333 PolarHBondContact O-SG 3.15Å; V330-C333 PolarHBondContact O-N 3.5Å; C333-M337 WeakPolarHBondContact O-CB 3.49Å; C333-M337 PolarHBondContact O-N 3.1Å; C333-L395 HydrophobicContact CB-CD2 3.63Å
334V93.2Very high90.4Very high21 Ų2172.2 Ų72.213%0.12739%0.388CS..Hα-helixtrans-63.7-45.9174.11680000110.5V330 L331 I332 M337 I338 L395 K414 F418V330-V334 HydrophobicContact CG1-CG2 4.38Å; V330-V334 VanDerWaalsContact O-CG2 3.26Å; V330-V334 WeakPolarHBondContact O-CG2 3.41Å; V330-V334 PolarHBondContact O-N 3.4Å; L331-V334 PolarHBondContact O-N 2.9Å; I332-V334 VanDerWaalsContact C-N 3.31Å; I332-V334 PolarHBondContact O-N 3.47Å; V334-M337 PolarHBondContact O-N 2.84Å; V334-I338 HydrophobicContact CG1-CD1 3.95Å; V334-I338 WeakPolarHBondContact O-CG1 3.49Å; V334-I338 PolarHBondContact O-N 2.76Å; V334-L395 HydrophobicContact CG2-CD1 3.84Å; V334-K414 HydrophobicContact CG2-CD 4.49Å; V334-K414 HydrophobicContact CG2-CG 4.4Å; V334-F418 HydrophobicContact CB-CE1 4.47Å; V334-F418 HydrophobicContact CG1-CE1 4Å; V334-F418 HydrophobicContact CG1-CZ 4.42Å; V334-F418 HydrophobicContact CG2-CZ 4.15Å
335L93.6Very high89.8Confident102 Ų10263.9 Ų63.953%0.53436%0.356SS..Hα-helixtrans-61.5-46.7177.9-179.565000111.9L331 I332 M337 I338 L339L331-L335 PolarHBondContact O-N 3.47Å; I332-L335 PolarHBondContact O-N 3.06Å; L335-M337 VanDerWaalsContact C-N 3.29Å; L335-M337 PolarHBondContact O-N 3.47Å; L335-I338 WeakPolarHBondContact O-CB 3.31Å; L335-I338 PolarHBondContact O-N 3.21Å; L335-I338 VanDerWaalsContact O-N 3.16Å; L335-L339 WeakPolarHBondContact O-CG 3.28Å; L335-L339 PolarHBondContact O-N 2.91Å
336V93.1Very high89.2Confident80 Ų8059.7 Ų59.749%0.48533%0.333SS..Hα-helixtrans-58.7-43.4175.9170.70000110.7I332 I338 L339 V340I332-V336 HydrophobicContact CG2-CG2 4.37Å; I332-V336 WeakPolarHBondContact O-CG2 3.44Å; I332-V336 PolarHBondContact O-N 3.33Å; V336-I338 VanDerWaalsContact C-N 3.34Å; V336-I338 PolarHBondContact O-N 2.89Å; V336-L339 PolarHBondContact O-N 3.15Å; V336-V340 HydrophobicContact CG1-CG2 4.5Å; V336-V340 WeakPolarHBondContact O-CG2 3.27Å; V336-V340 PolarHBondContact O-N 3.23Å
337M91.6Very high88.7Confident24 Ų2460.7 Ų60.712%0.11834%0.34CS..Hα-helixtrans-62.3-41177-173.964.5-170.400111.9C333 V334 L335 V340 I341 V387 N388 V391 F418C333-M337 WeakPolarHBondContact O-CB 3.49Å; C333-M337 PolarHBondContact O-N 3.1Å; V334-M337 PolarHBondContact O-N 2.84Å; L335-M337 VanDerWaalsContact C-N 3.29Å; L335-M337 PolarHBondContact O-N 3.47Å; M337-V340 PolarHBondContact O-N 3.09Å; M337-I341 HydrophobicContact CE-CD1 3.99Å; M337-I341 HydrophobicContact CE-CG1 3.99Å; M337-I341 HydrophobicContact CG-CD1 4.07Å; M337-I341 VanDerWaalsContact O-CG1 3.27Å; M337-I341 WeakPolarHBondContact O-CG1 3.5Å; M337-I341 PolarHBondContact O-N 3.48Å; M337-V387 HydrophobicContact CE-CG1 4.23Å; M337-N388 WeakPolarHBondContact CE-OD1 3.15Å; M337-V391 HydrophobicContact CE-CG2 4.3Å; M337-V391 HydrophobicContact CG-CG1 4.28Å; M337-V391 HydrophobicContact SD-CG1 4.26Å; M337-V391 HydrophobicContact SD-CG2 4.32Å; M337-F418 HydrophobicContact CB-CD1 4.46Å; M337-F418 HydrophobicContact CB-CE1 3.74Å; M337-F418 HydrophobicContact CB-CZ 3.98Å; M337-F418 HydrophobicContact CG-CD1 3.98Å; M337-F418 HydrophobicContact CG-CE1 3.63Å; M337-F418 HydrophobicContact CG-CE2 4.29Å; M337-F418 HydrophobicContact CG-CG 4.46Å; M337-F418 HydrophobicContact CG-CZ 3.81Å
338I92.5Very high87.8Confident23 Ų2359.3 Ų59.312%0.11833%0.33CS..Hα-helixtrans-61.4-45.9175.5-68.9165000110.6V334 L335 V336 V340 I341 I342 T417 F418 F421V334-I338 HydrophobicContact CG1-CD1 3.95Å; V334-I338 WeakPolarHBondContact O-CG1 3.49Å; V334-I338 PolarHBondContact O-N 2.76Å; L335-I338 WeakPolarHBondContact O-CB 3.31Å; L335-I338 PolarHBondContact O-N 3.21Å; L335-I338 VanDerWaalsContact O-N 3.16Å; V336-I338 VanDerWaalsContact C-N 3.34Å; V336-I338 PolarHBondContact O-N 2.89Å; I338-V340 VanDerWaalsContact C-N 3.31Å; I338-V340 PolarHBondContact O-N 2.97Å; I338-I341 PolarHBondContact O-N 3.26Å; I338-I342 HydrophobicContact CG2-CD1 3.75Å; I338-I342 HydrophobicContact CG2-CG1 4.35Å; I338-I342 VanDerWaalsContact O-CG1 3.31Å; I338-I342 WeakPolarHBondContact O-CG1 3.25Å; I338-I342 PolarHBondContact O-N 3.4Å; I338-T417 HydrophobicContact CD1-CG2 3.86Å; I338-T417 HydrophobicContact CG1-CG2 4.45Å; I338-F418 HydrophobicContact CG1-CD1 4.29Å; I338-F418 HydrophobicContact CG1-CE1 4.33Å; I338-F421 HydrophobicContact CB-CD2 4.49Å; I338-F421 HydrophobicContact CD1-CD2 4.21Å; I338-F421 HydrophobicContact CD1-CE2 3.91Å; I338-F421 HydrophobicContact CG1-CD2 3.95Å; I338-F421 HydrophobicContact CG1-CE2 4.14Å; I338-F421 HydrophobicContact CG2-CD1 4.2Å; I338-F421 HydrophobicContact CG2-CD2 3.79Å; I338-F421 HydrophobicContact CG2-CE1 4.24Å; I338-F421 HydrophobicContact CG2-CE2 3.84Å; I338-F421 HydrophobicContact CG2-CG 3.99Å; I338-F421 HydrophobicContact CG2-CZ 4.07Å
339L91.9Very high86.7Confident107 Ų10757.9 Ų57.956%0.5632%0.317SS*.Hα-helixtrans-61-39.7177-68174.4000112.1L335 V336 I342 G343L335-L339 WeakPolarHBondContact O-CG 3.28Å; L335-L339 PolarHBondContact O-N 2.91Å; V336-L339 PolarHBondContact O-N 3.15Å; L339-I342 PolarHBondContact O-N 3.02Å; L339-G343 PolarHBondContact O-N 3.04Å
340V90.3Very high85.6Confident72 Ų7256.3 Ų56.344%0.43631%0.311SS..Hα-helixtrans-64.1-43.8174.5170.40000111.1V336 M337 I338 G343 L344V336-V340 HydrophobicContact CG1-CG2 4.5Å; V336-V340 WeakPolarHBondContact O-CG2 3.27Å; V336-V340 PolarHBondContact O-N 3.23Å; M337-V340 PolarHBondContact O-N 3.09Å; I338-V340 VanDerWaalsContact C-N 3.31Å; I338-V340 PolarHBondContact O-N 2.97Å; V340-G343 PolarHBondContact O-N 3.23Å; V340-L344 HydrophobicContact CG1-CD1 3.79Å; V340-L344 HydrophobicContact CG1-CG 4.25Å; V340-L344 WeakPolarHBondContact O-CB 3.35Å; V340-L344 VanDerWaalsContact O-CG 3.27Å; V340-L344 WeakPolarHBondContact O-CG 3.43Å; V340-L344 PolarHBondContact O-N 3.08Å
341I88.9Confident84.5Confident2 Ų257.5 Ų57.51%0.0132%0.318CS..Hα-helixtrans-61.8-45.3176.5-68.8164.6000110.4M337 I338 L344 T345 F418 F421M337-I341 HydrophobicContact CE-CD1 3.99Å; M337-I341 HydrophobicContact CE-CG1 3.99Å; M337-I341 HydrophobicContact CG-CD1 4.07Å; M337-I341 VanDerWaalsContact O-CG1 3.27Å; M337-I341 WeakPolarHBondContact O-CG1 3.5Å; M337-I341 PolarHBondContact O-N 3.48Å; I338-I341 PolarHBondContact O-N 3.26Å; I341-L344 PolarHBondContact O-N 3.05Å; I341-T345 HydrophobicContact CG2-CG2 4.31Å; I341-T345 WeakPolarHBondContact O-CB 3.43Å; I341-T345 VanDerWaalsContact O-CG2 3.27Å; I341-T345 WeakPolarHBondContact O-CG2 3.36Å; I341-T345 PolarHBondContact O-N 3.15Å; I341-T345 PolarHBondContact O-OG1 3.48Å; I341-F418 HydrophobicContact CD1-CB 3.89Å; I341-F418 HydrophobicContact CD1-CD1 4.01Å; I341-F418 HydrophobicContact CD1-CG 4.18Å; I341-F421 HydrophobicContact CG2-CB 4.02Å
342I88.4Confident83.2Confident51 Ų5155.7 Ų55.726%0.26230%0.303SS..Hα-helixtrans-61.1-49.9176.7-67.6171.2000109.6I338 L339 L344 T345 H346 F421I338-I342 HydrophobicContact CG2-CD1 3.75Å; I338-I342 HydrophobicContact CG2-CG1 4.35Å; I338-I342 VanDerWaalsContact O-CG1 3.31Å; I338-I342 WeakPolarHBondContact O-CG1 3.25Å; I338-I342 PolarHBondContact O-N 3.4Å; L339-I342 PolarHBondContact O-N 3.02Å; I342-L344 PolarHBondContact O-N 2.69Å; I342-T345 WeakPolarHBondContact CA-OG1 3.33Å; I342-T345 PolarHBondContact O-N 2.8Å; I342-T345 PolarHBondContact O-OG1 2.9Å; I342-H346 PolarHBondContact O-N 3.27Å; I342-H346 PolarHBondContact O-ND1 2.73Å; I342-F421 HydrophobicContact CD1-CD1 4.2Å; I342-F421 HydrophobicContact CD1-CE1 4.4Å; I342-F421 HydrophobicContact CG1-CD1 4.33Å
343G85.9Confident81.6Confident41 Ų4153.5 Ų53.542%0.42329%0.294SS..Hα-helixtrans-58.6-45.217800000113.2L339 V340 H346 F347L339-G343 PolarHBondContact O-N 3.04Å; V340-G343 PolarHBondContact O-N 3.23Å; G343-H346 PolarHBondContact O-N 3.48Å; G343-F347 WeakPolarHBondContact O-CB 3.49Å; G343-F347 PolarHBondContact O-N 3.39Å
344L82.4Confident80.2Confident70 Ų7054.5 Ų54.537%0.36630%0.296SS..Hα-helixtrans-63.7-47.8176.5-72.9172.8000111.3V340 I341 I342 H346 F347 L348 M384V340-L344 HydrophobicContact CG1-CD1 3.79Å; V340-L344 HydrophobicContact CG1-CG 4.25Å; V340-L344 WeakPolarHBondContact O-CB 3.35Å; V340-L344 VanDerWaalsContact O-CG 3.27Å; V340-L344 WeakPolarHBondContact O-CG 3.43Å; V340-L344 PolarHBondContact O-N 3.08Å; I341-L344 PolarHBondContact O-N 3.05Å; I342-L344 PolarHBondContact O-N 2.69Å; L344-H346 VanDerWaalsContact C-N 3.31Å; L344-H346 PolarHBondContact O-N 2.9Å; L344-F347 WeakPolarHBondContact O-CB 3.33Å; L344-F347 PolarHBondContact O-N 2.83Å; L344-L348 VanDerWaalsContact O-CD1 3.23Å; L344-L348 WeakPolarHBondContact O-CD1 3.45Å; L344-L348 WeakPolarHBondContact O-CG 3.38Å; L344-L348 PolarHBondContact O-N 2.76Å; L344-M384 HydrophobicContact CD1-SD 3.91Å
345T75.4Confident78.7Confident13 Ų1356.3 Ų56.38%0.0831%0.307CS..Hα-helixtrans-60-40.1178.650.30000112.3I341 I342 L348 V349 S425I341-T345 HydrophobicContact CG2-CG2 4.31Å; I341-T345 WeakPolarHBondContact O-CB 3.43Å; I341-T345 VanDerWaalsContact O-CG2 3.27Å; I341-T345 WeakPolarHBondContact O-CG2 3.36Å; I341-T345 PolarHBondContact O-N 3.15Å; I341-T345 PolarHBondContact O-OG1 3.48Å; I342-T345 WeakPolarHBondContact CA-OG1 3.33Å; I342-T345 PolarHBondContact O-N 2.8Å; I342-T345 PolarHBondContact O-OG1 2.9Å; T345-L348 WeakPolarHBondContact O-CB 3.45Å; T345-L348 PolarHBondContact O-N 2.83Å; T345-V349 PolarHBondContact O-N 2.88Å; T345-S425 WeakPolarHBondContact OG1-CB 3.27Å; T345-S425 PolarHBondContact OG1-OG 3.2Å
346H76.1Confident77Confident55 Ų5553 Ų5326%0.25529%0.294SS..Hα-helixtrans-69.3-43.7176.4-73.670.1000112.2I342 G343 L344 L348 V349 V350 S425 Y429I342-H346 PolarHBondContact O-N 3.27Å; I342-H346 PolarHBondContact O-ND1 2.73Å; G343-H346 PolarHBondContact O-N 3.48Å; L344-H346 VanDerWaalsContact C-N 3.31Å; L344-H346 PolarHBondContact O-N 2.9Å; H346-L348 PolarHBondContact O-N 2.96Å; H346-L348 VanDerWaalsContact O-N 3.16Å; H346-V349 PolarHBondContact O-N 2.88Å; H346-V349 VanDerWaalsContact O-N 3.11Å; H346-V350 PolarHBondContact O-N 3.38Å; H346-V350 VanDerWaalsContact O-N 3.16Å; H346-S425 PolarHBondContact CE1-OG 3.32Å; H346-Y429 AromaticContact CD2-CD2 3.4Å; H346-Y429 WeakPolarHBondContact CD2-CD2 3.39Å; H346-Y429 AromaticContact CD2-CE2 3.94Å; H346-Y429 AromaticContact CD2-CG 3.9Å; H346-Y429 AromaticContact NE2-CD2 3.4Å; H346-Y429 WeakPolarHBondContact NE2-CD2 3.27Å; H346-Y429 AromaticContact NE2-CG 3.81Å
347F76.8Confident75.3Confident128 Ų12851 Ų5156%0.56129%0.289SS*.Hα-helixtrans-53.7-36.8173.5174.6-102.6000111.7G343 L344 V350 V351G343-F347 WeakPolarHBondContact O-CB 3.49Å; G343-F347 PolarHBondContact O-N 3.39Å; L344-F347 WeakPolarHBondContact O-CB 3.33Å; L344-F347 PolarHBondContact O-N 2.83Å; F347-V350 PolarHBondContact O-N 2.98Å; F347-V351 HydrophobicContact CD1-CG2 4.11Å; F347-V351 HydrophobicContact CE1-CG2 3.64Å; F347-V351 HydrophobicContact CE2-CG2 4.08Å; F347-V351 HydrophobicContact CZ-CG2 3.62Å; F347-V351 WeakPolarHBondContact O-CG2 3.47Å; F347-V351 PolarHBondContact O-N 3.47Å
348L69Low73.6Confident36 Ų3654.8 Ų54.819%0.18831%0.31CS..Hα-helixtrans-73.3-34.5-179.4-65.9161.3000113.5L344 T345 H346 V350 V351 R352 I380L344-L348 VanDerWaalsContact O-CD1 3.23Å; L344-L348 WeakPolarHBondContact O-CD1 3.45Å; L344-L348 WeakPolarHBondContact O-CG 3.38Å; L344-L348 PolarHBondContact O-N 2.76Å; T345-L348 WeakPolarHBondContact O-CB 3.45Å; T345-L348 PolarHBondContact O-N 2.83Å; H346-L348 PolarHBondContact O-N 2.96Å; H346-L348 VanDerWaalsContact O-N 3.16Å; L348-V350 VanDerWaalsContact C-N 3.3Å; L348-V351 PolarHBondContact O-N 2.78Å; L348-R352 WeakPolarHBondContact O-CB 3.26Å; L348-R352 PolarHBondContact O-N 2.72Å; L348-I380 HydrophobicContact CB-CD1 4.4Å; L348-I380 HydrophobicContact CD1-CB 4.2Å; L348-I380 HydrophobicContact CD1-CD1 3.76Å; L348-I380 HydrophobicContact CD1-CG1 4.34Å; L348-I380 HydrophobicContact CD1-CG2 3.35Å; L348-I380 HydrophobicContact CD2-CD1 3.24Å; L348-I380 HydrophobicContact CD2-CG1 4.19Å; L348-I380 HydrophobicContact CG-CD1 3.92Å
349V67.8Low71.6Confident17 Ų1756.4 Ų56.410%0.10332%0.319CS..Hα-helixtrans-60.8-45.8171.5176.80000109.5T345 H346 V351 R352 V353 Y429T345-V349 PolarHBondContact O-N 2.88Å; H346-V349 PolarHBondContact O-N 2.88Å; H346-V349 VanDerWaalsContact O-N 3.11Å; V349-V351 PolarHBondContact O-N 3.34Å; V349-R352 WeakPolarHBondContact O-CB 3.43Å; V349-R352 PolarHBondContact O-N 3.12Å; V349-V353 PolarHBondContact O-N 3.29Å; V349-Y429 HydrophobicContact CG1-CD1 4.04Å; V349-Y429 HydrophobicContact CG1-CE1 3.75Å; V349-Y429 HydrophobicContact CG2-CD1 4.47Å
350V70.3Confident69.7Low53 Ų5354 Ų5432%0.32132%0.315SS..Hα-helixtrans-60.7-46.6176.3177.90000111.4H346 F347 L348 R352 V353 L354H346-V350 PolarHBondContact O-N 3.38Å; H346-V350 VanDerWaalsContact O-N 3.16Å; F347-V350 PolarHBondContact O-N 2.98Å; L348-V350 VanDerWaalsContact C-N 3.3Å; V350-R352 VanDerWaalsContact C-N 3.32Å; V350-R352 PolarHBondContact O-N 3.28Å; V350-V353 PolarHBondContact O-N 3.12Å; V350-L354 HydrophobicContact CG1-CD1 4.14Å; V350-L354 HydrophobicContact CG1-CG 4.45Å; V350-L354 WeakPolarHBondContact O-CG 3.43Å; V350-L354 PolarHBondContact O-N 3.22Å
351V68.4Low68Low34 Ų3457.7 Ų57.721%0.20633%0.325CS..Hα-helixtrans-61.4-40.1177.5169.50000111.7F347 L348 V349 V353 L354 V355 L376F347-V351 HydrophobicContact CD1-CG2 4.11Å; F347-V351 HydrophobicContact CE1-CG2 3.64Å; F347-V351 HydrophobicContact CE2-CG2 4.08Å; F347-V351 HydrophobicContact CZ-CG2 3.62Å; F347-V351 WeakPolarHBondContact O-CG2 3.47Å; F347-V351 PolarHBondContact O-N 3.47Å; L348-V351 PolarHBondContact O-N 2.78Å; V349-V351 PolarHBondContact O-N 3.34Å; V351-V353 PolarHBondContact O-N 2.8Å; V351-L354 PolarHBondContact O-N 2.97Å; V351-V355 HydrophobicContact CG1-CG2 4.03Å; V351-V355 WeakPolarHBondContact O-CB 3.31Å; V351-V355 VanDerWaalsContact O-CG2 3.27Å; V351-V355 WeakPolarHBondContact O-CG2 3.45Å; V351-V355 PolarHBondContact O-N 2.87Å; V351-L376 HydrophobicContact CG1-CD2 4.39Å
352R64Low66.1Low83 Ų8360.7 Ų60.731%0.31336%0.356SS..Hα-helixtrans-55.6-43.4176.6177.7-173.1178.1-165.4-1.1110.9L348 V349 V350 A356L348-R352 WeakPolarHBondContact O-CB 3.26Å; L348-R352 PolarHBondContact O-N 2.72Å; V349-R352 WeakPolarHBondContact O-CB 3.43Å; V349-R352 PolarHBondContact O-N 3.12Å; V350-R352 VanDerWaalsContact C-N 3.32Å; V350-R352 PolarHBondContact O-N 3.28Å; R352-A356 VanDerWaalsContact O-CB 3.28Å; R352-A356 WeakPolarHBondContact O-CB 3.16Å; R352-A356 PolarHBondContact O-N 3.28Å
353V60.6Low64.1Low61 Ų6164.8 Ų64.837%0.3737%0.373SS..Hα-helixtrans-74.9-37-179.6168.80000112.8V349 V350 V351 V355 A356 G357 E454V349-V353 PolarHBondContact O-N 3.29Å; V350-V353 PolarHBondContact O-N 3.12Å; V351-V353 PolarHBondContact O-N 2.8Å; V353-V355 VanDerWaalsContact C-N 3.32Å; V353-V355 PolarHBondContact O-N 3.43Å; V353-A356 PolarHBondContact O-N 3.47Å; V353-G357 PolarHBondContact O-N 3.44Å; V353-E454 HydrophobicContact CB-CG 4.29Å; V353-E454 WeakPolarHBondContact CB-OE1 3.36Å; V353-E454 HydrophobicContact CG1-CG 3.91Å; V353-E454 HydrophobicContact CG2-CG 4.03Å; V353-E454 WeakPolarHBondContact CG2-OE1 3.43Å; V353-E454 WeakPolarHBondContact CG2-OE2 3.36Å
354L63.7Low62.2Low71 Ų7173.4 Ų73.437%0.37240%0.398SS..Hα-helixtrans-60.9-42.7171.7-67.2174.4000111.8V350 V351 N358 W451V350-L354 HydrophobicContact CG1-CD1 4.14Å; V350-L354 HydrophobicContact CG1-CG 4.45Å; V350-L354 WeakPolarHBondContact O-CG 3.43Å; V350-L354 PolarHBondContact O-N 3.22Å; V351-L354 PolarHBondContact O-N 2.97Å; L354-N358 WeakPolarHBondContact O-CB 3.47Å; L354-N358 PolarHBondContact O-N 3.34Å; L354-N358 VanDerWaalsContact O-N 3.09Å; L354-N358 PolarHBondContact O-ND2 2.9Å; L354-W451 HydrophobicContact CD2-CE3 4.14Å; L354-W451 HydrophobicContact CD2-CH2 4.4Å; L354-W451 HydrophobicContact CD2-CZ3 3.96Å
355V61.5Low61Low60 Ų6072.7 Ų72.736%0.36440%0.399SS..Hα-helixtrans-69.8-41.6178.2170.60000110.9V351 V353 N358 L359V351-V355 HydrophobicContact CG1-CG2 4.03Å; V351-V355 WeakPolarHBondContact O-CB 3.31Å; V351-V355 VanDerWaalsContact O-CG2 3.27Å; V351-V355 WeakPolarHBondContact O-CG2 3.45Å; V351-V355 PolarHBondContact O-N 2.87Å; V353-V355 VanDerWaalsContact C-N 3.32Å; V353-V355 PolarHBondContact O-N 3.43Å; V355-N358 PolarHBondContact O-N 3.08Å; V355-L359 HydrophobicContact CG1-CD1 3.55Å; V355-L359 HydrophobicContact CG1-CG 4.33Å; V355-L359 VanDerWaalsContact O-CB 3.28Å; V355-L359 WeakPolarHBondContact O-CB 3.46Å; V355-L359 WeakPolarHBondContact O-CG 3.29Å; V355-L359 PolarHBondContact O-N 3.05Å
356A57.4Low60.1Low31 Ų3178.2 Ų78.226%0.25643%0.428SS..Hα-helixtrans-62.2-43.6174.300000111.8R352 V353 N358 L359 A360 A369R352-A356 VanDerWaalsContact O-CB 3.28Å; R352-A356 WeakPolarHBondContact O-CB 3.16Å; R352-A356 PolarHBondContact O-N 3.28Å; V353-A356 PolarHBondContact O-N 3.47Å; A356-N358 VanDerWaalsContact C-N 3.3Å; A356-N358 PolarHBondContact O-N 3.35Å; A356-L359 PolarHBondContact O-N 2.9Å; A356-A360 VanDerWaalsContact O-CB 3.27Å; A356-A360 WeakPolarHBondContact O-CB 3.31Å; A356-A360 PolarHBondContact O-N 2.8Å; A356-A369 HydrophobicContact CB-CB 4.1Å
357G57.3Low59.1Low38 Ų3882 Ų8239%0.39245%0.449SS..Hα-helixtrans-65.4-30.2177.700000113.8V353V353-G357 PolarHBondContact O-N 3.44Å
358N57.9Low58.3Low105 Ų10577.5 Ų77.556%0.56144%0.439SS*.Hα-helixtrans-84.8-36.3174.7-74.1-24.8000112.9L354 V355 A356 K361L354-N358 WeakPolarHBondContact O-CB 3.47Å; L354-N358 PolarHBondContact O-N 3.34Å; L354-N358 VanDerWaalsContact O-N 3.09Å; L354-N358 PolarHBondContact O-ND2 2.9Å; V355-N358 PolarHBondContact O-N 3.08Å; A356-N358 VanDerWaalsContact C-N 3.3Å; A356-N358 PolarHBondContact O-N 3.35Å; N358-K361 WeakPolarHBondContact O-CB 3.39Å; N358-K361 PolarHBondContact O-N 3.01Å
359L50.3Low58Low57 Ų5776.6 Ų76.630%0.29844%0.437SS..Hα-helixtrans-68.6-35.1174.8-84.2164.5000111.9V355 A356 K361 G362 F363 A372V355-L359 HydrophobicContact CG1-CD1 3.55Å; V355-L359 HydrophobicContact CG1-CG 4.33Å; V355-L359 VanDerWaalsContact O-CB 3.28Å; V355-L359 WeakPolarHBondContact O-CB 3.46Å; V355-L359 WeakPolarHBondContact O-CG 3.29Å; V355-L359 PolarHBondContact O-N 3.05Å; A356-L359 PolarHBondContact O-N 2.9Å; L359-K361 PolarHBondContact O-N 2.97Å; L359-G362 PolarHBondContact O-N 3.1Å; L359-F363 HydrophobicContact CD2-CD2 4.23Å; L359-F363 PolarHBondContact O-N 3.01Å; L359-A372 HydrophobicContact CD1-CB 4.24Å
360A51.6Low57.7Low57 Ų5779.2 Ų79.247%0.47145%0.449SS..Hα-helixtrans-61.3-24173.800000112.8A356A356-A360 VanDerWaalsContact O-CB 3.27Å; A356-A360 WeakPolarHBondContact O-CB 3.31Å; A356-A360 PolarHBondContact O-N 2.8Å
361K54.1Low57.5Low148 Ų14882 Ų8264%0.64346%0.462SS*.Hα-helixtrans-75.5-26.5172.6-64.3173-175.8167.80112.9N358 L359N358-K361 WeakPolarHBondContact O-CB 3.39Å; N358-K361 PolarHBondContact O-N 3.01Å; L359-K361 PolarHBondContact O-N 2.97Å
362G49.3Very low57.5Low66 Ų6682.3 Ų82.368%0.6847%0.468SS*.Hα-helixtrans-104.9-37.4-175.200000115L359L359-G362 PolarHBondContact O-N 3.1Å
363F46Very low57.8Low137 Ų13778.7 Ų78.760%0.60146%0.457SS*.  trans-112.2120.8177.5-88.9-90.3000109.4L359 S365L359-F363 HydrophobicContact CD2-CD2 4.23Å; L359-F363 PolarHBondContact O-N 3.01Å; F363-S365 PolarHBondContact O-N 2.91Å
364K46.3Very low58.2Low222 Ų22276.3 Ų76.397%0.96544%0.443SS*.SBendtrans-65.310.6177.6-71.5-175.5175.6-178.70114.8
365S56.5Low58.6Low55 Ų5576.9 Ų76.939%0.38545%0.449SS..  trans-122.6113.8-173.462.30000113.5F363 L367 G368F363-S365 PolarHBondContact O-N 2.91Å; S365-L367 PolarHBondContact O-N 3.28Å; S365-G368 PolarHBondContact O-N 3.24Å; S365-G368 VanDerWaalsContact O-N 3.1Å
366N57.6Low59.2Low128 Ų12876.9 Ų76.968%0.68445%0.447SS*.Hα-helixtrans-56.6-30.2171.9-69.2-18.4000112.3G368 A369 M370N366-G368 VanDerWaalsContact C-N 3.35Å; N366-G368 PolarHBondContact O-N 3.35Å; N366-A369 PolarHBondContact O-N 2.92Å; N366-M370 WeakPolarHBondContact O-CG 3.28Å; N366-M370 PolarHBondContact O-N 3.46Å
367L55.3Low60Low134 Ų13477.5 Ų77.570%0.70245%0.445SS*.Hα-helixtrans-62.7-37.3177.1-174.263.1000113S365 M370 L371S365-L367 PolarHBondContact O-N 3.28Å; L367-M370 PolarHBondContact O-N 3.48Å; L367-L371 PolarHBondContact O-N 3.33Å; L367-L371 VanDerWaalsContact O-N 3.09Å
368G58.8Low60.9Low34 Ų3478.9 Ų78.935%0.35144%0.44SS..Hα-helixtrans-67.5-40179.700000112.4S365 N366 L371 A372S365-G368 PolarHBondContact O-N 3.24Å; S365-G368 VanDerWaalsContact O-N 3.1Å; N366-G368 VanDerWaalsContact C-N 3.35Å; N366-G368 PolarHBondContact O-N 3.35Å; G368-L371 PolarHBondContact O-N 2.93Å; G368-A372 WeakPolarHBondContact O-CB 3.49Å; G368-A372 PolarHBondContact O-N 3.48Å
369A62.4Low61.9Low18 Ų1878.3 Ų78.315%0.14944%0.436CS..Hα-helixtrans-66.9-39.6176.500000112.2A356 N366 G373A356-A369 HydrophobicContact CB-CB 4.1Å; N366-A369 PolarHBondContact O-N 2.92Å; A369-G373 PolarHBondContact O-N 2.94Å
370M62.7Low63.2Low71 Ų7176.9 Ų76.935%0.3543%0.429SS..Hα-helixtrans-62.3-45.9175.3-68.817372.800111.8N366 L367 G373 A374 I467N366-M370 WeakPolarHBondContact O-CG 3.28Å; N366-M370 PolarHBondContact O-N 3.46Å; L367-M370 PolarHBondContact O-N 3.48Å; M370-G373 PolarHBondContact O-N 3.29Å; M370-A374 PolarHBondContact O-N 2.83Å; M370-I467 HydrophobicContact CE-CG2 4.22Å
371L65.5Low64.5Low112 Ų11274.8 Ų74.859%0.58641%0.41SS*.Hα-helixtrans-67.6-41.8179.6-171.366.5000112L367 G368 G373 A374 V375L367-L371 PolarHBondContact O-N 3.33Å; L367-L371 VanDerWaalsContact O-N 3.09Å; G368-L371 PolarHBondContact O-N 2.93Å; L371-G373 VanDerWaalsContact C-N 3.34Å; L371-G373 PolarHBondContact O-N 2.89Å; L371-A374 WeakPolarHBondContact O-CB 3.39Å; L371-A374 PolarHBondContact O-N 3.15Å; L371-V375 WeakPolarHBondContact O-CG2 3.07Å; L371-V375 PolarHBondContact O-N 3.31Å
372A68.9Low65.9Low41 Ų4170.4 Ų70.434%0.33940%0.395SS..Hα-helixtrans-61.4-42.6175.900000111.9L359 G368 A374 V375 L376L359-A372 HydrophobicContact CD1-CB 4.24Å; G368-A372 WeakPolarHBondContact O-CB 3.49Å; G368-A372 PolarHBondContact O-N 3.48Å; A372-A374 VanDerWaalsContact C-N 3.34Å; A372-A374 PolarHBondContact O-N 3Å; A372-V375 PolarHBondContact O-N 2.77Å; A372-L376 WeakPolarHBondContact O-CB 3.3Å; A372-L376 PolarHBondContact O-N 2.88Å
373G70.4Confident67.6Low7 Ų771.2 Ų71.27%0.07238%0.383CS..Hα-helixtrans-61.4-40174.100000112.9A369 M370 L371 L376 H377A369-G373 PolarHBondContact O-N 2.94Å; M370-G373 PolarHBondContact O-N 3.29Å; L371-G373 VanDerWaalsContact C-N 3.34Å; L371-G373 PolarHBondContact O-N 2.89Å; G373-L376 PolarHBondContact O-N 3.21Å; G373-H377 WeakPolarHBondContact O-CB 3.23Å; G373-H377 PolarHBondContact O-N 3.36Å
374A68.5Low69.5Low11 Ų1166.2 Ų66.29%0.09136%0.362CS..Hα-helixtrans-65-45.2177.200000112.7M370 L371 A372 L376 H377 F378 I471 L475M370-A374 PolarHBondContact O-N 2.83Å; L371-A374 WeakPolarHBondContact O-CB 3.39Å; L371-A374 PolarHBondContact O-N 3.15Å; A372-A374 VanDerWaalsContact C-N 3.34Å; A372-A374 PolarHBondContact O-N 3Å; A374-L376 VanDerWaalsContact C-N 3.35Å; A374-H377 PolarHBondContact O-N 3.19Å; A374-F378 PolarHBondContact O-N 3.06Å; A374-I471 HydrophobicContact CB-CG2 3.73Å; A374-L475 HydrophobicContact CB-CD2 4.45Å
375V72.8Confident71.4Confident82 Ų8257.4 Ų57.450%0.49733%0.327SS..Hα-helixtrans-63.2-42.4177.3173.30000111.1L371 A372 F378 L379L371-V375 WeakPolarHBondContact O-CG2 3.07Å; L371-V375 PolarHBondContact O-N 3.31Å; A372-V375 PolarHBondContact O-N 2.77Å; V375-F378 PolarHBondContact O-N 3.32Å; V375-L379 WeakPolarHBondContact O-CB 3.48Å; V375-L379 PolarHBondContact O-N 2.86Å
376L74.6Confident73Confident60 Ų6061.8 Ų61.831%0.31434%0.339SS..Hα-helixtrans-60.2-49.5176.4-178.561.1000110.8V351 A372 G373 A374 F378 L379 I380V351-L376 HydrophobicContact CG1-CD2 4.39Å; A372-L376 WeakPolarHBondContact O-CB 3.3Å; A372-L376 PolarHBondContact O-N 2.88Å; G373-L376 PolarHBondContact O-N 3.21Å; A374-L376 VanDerWaalsContact C-N 3.35Å; L376-F378 VanDerWaalsContact C-N 3.33Å; L376-F378 PolarHBondContact O-N 2.89Å; L376-L379 PolarHBondContact O-N 3.19Å; L376-I380 HydrophobicContact CD1-CD1 3.83Å; L376-I380 HydrophobicContact CD1-CG1 4.37Å; L376-I380 HydrophobicContact CG-CD1 3.71Å; L376-I380 WeakPolarHBondContact O-CD1 3.12Å; L376-I380 VanDerWaalsContact O-CG1 3.26Å; L376-I380 WeakPolarHBondContact O-CG1 3.46Å; L376-I380 PolarHBondContact O-N 2.91Å
377H73.4Confident74.5Confident45 Ų4558.4 Ų58.421%0.20832%0.323CS..Hα-helixtrans-57.7-43.6178.4-169.5-98.6000112.1G373 A374 I380 I381 S426G373-H377 WeakPolarHBondContact O-CB 3.23Å; G373-H377 PolarHBondContact O-N 3.36Å; A374-H377 PolarHBondContact O-N 3.19Å; H377-I380 PolarHBondContact O-N 3.22Å; H377-I381 WeakPolarHBondContact CE1-CD1 3.44Å; H377-I381 WeakPolarHBondContact ND1-CD1 3.41Å; H377-I381 WeakPolarHBondContact O-CG1 3.4Å; H377-I381 PolarHBondContact O-N 3.43Å; H377-S426 PolarHBondContact NE2-OG 2.83Å
378F76.3Confident76.2Confident67 Ų6752 Ų5229%0.29429%0.289SS..Hα-helixtrans-61.8-46.3175.5172-97.8000113A374 V375 L376 I380 I381 T382 I479A374-F378 PolarHBondContact O-N 3.06Å; V375-F378 PolarHBondContact O-N 3.32Å; L376-F378 VanDerWaalsContact C-N 3.33Å; L376-F378 PolarHBondContact O-N 2.89Å; F378-I380 VanDerWaalsContact C-N 3.25Å; F378-I380 PolarHBondContact O-N 2.77Å; F378-I381 PolarHBondContact O-N 3.29Å; F378-T382 PolarHBondContact O-N 3.41Å; F378-T382 PolarHBondContact O-OG1 3.41Å; F378-I479 HydrophobicContact CE1-CG2 4.41Å; F378-I479 HydrophobicContact CE2-CG2 4.16Å; F378-I479 HydrophobicContact CZ-CG2 3.72Å
379L78.2Confident77.8Confident92 Ų9254.4 Ų54.448%0.48229%0.288SS..Hα-helixtrans-60.6-39.1179.7-177.2138.6000111.2V375 L376 T382 I383V375-L379 WeakPolarHBondContact O-CB 3.48Å; V375-L379 PolarHBondContact O-N 2.86Å; L376-L379 PolarHBondContact O-N 3.19Å; L379-T382 WeakPolarHBondContact O-CB 3.2Å; L379-T382 PolarHBondContact O-N 3.32Å; L379-I383 HydrophobicContact CD2-CD1 3.55Å; L379-I383 HydrophobicContact CG-CD1 4.33Å; L379-I383 WeakPolarHBondContact O-CG1 3.31Å; L379-I383 PolarHBondContact O-N 2.98Å
380I77.3Confident79.2Confident28 Ų2859.3 Ų59.314%0.14431%0.31CS..Hα-helixtrans-71.9-45-179.4-63.3154000111.8L348 L376 H377 F378 T382 I383 M384L348-I380 HydrophobicContact CB-CD1 4.4Å; L348-I380 HydrophobicContact CD1-CB 4.2Å; L348-I380 HydrophobicContact CD1-CD1 3.76Å; L348-I380 HydrophobicContact CD1-CG1 4.34Å; L348-I380 HydrophobicContact CD1-CG2 3.35Å; L348-I380 HydrophobicContact CD2-CD1 3.24Å; L348-I380 HydrophobicContact CD2-CG1 4.19Å; L348-I380 HydrophobicContact CG-CD1 3.92Å; L376-I380 HydrophobicContact CD1-CD1 3.83Å; L376-I380 HydrophobicContact CD1-CG1 4.37Å; L376-I380 HydrophobicContact CG-CD1 3.71Å; L376-I380 WeakPolarHBondContact O-CD1 3.12Å; L376-I380 VanDerWaalsContact O-CG1 3.26Å; L376-I380 WeakPolarHBondContact O-CG1 3.46Å; L376-I380 PolarHBondContact O-N 2.91Å; H377-I380 PolarHBondContact O-N 3.22Å; F378-I380 VanDerWaalsContact C-N 3.25Å; F378-I380 PolarHBondContact O-N 2.77Å; I380-T382 PolarHBondContact O-N 2.92Å; I380-I383 PolarHBondContact O-N 3.44Å; I380-I383 VanDerWaalsContact O-N 3.08Å; I380-M384 HydrophobicContact CG2-CG 4.08Å; I380-M384 WeakPolarHBondContact O-CB 3.45Å; I380-M384 WeakPolarHBondContact O-CG 3.28Å; I380-M384 PolarHBondContact O-N 3Å
381I80.7Confident80.6Confident13 Ų1357.9 Ų57.97%0.06731%0.305CS..Hα-helixtrans-53.6-42.7172.7-72.5166.1000110H377 F378 I383 M384 T385 T422 Y423H377-I381 WeakPolarHBondContact CE1-CD1 3.44Å; H377-I381 WeakPolarHBondContact ND1-CD1 3.41Å; H377-I381 WeakPolarHBondContact O-CG1 3.4Å; H377-I381 PolarHBondContact O-N 3.43Å; F378-I381 PolarHBondContact O-N 3.29Å; I381-I383 PolarHBondContact O-N 2.96Å; I381-M384 PolarHBondContact O-N 3.48Å; I381-T385 WeakPolarHBondContact O-CB 3.36Å; I381-T385 PolarHBondContact O-N 3.04Å; I381-T385 PolarHBondContact O-OG1 2.95Å; I381-T422 HydrophobicContact CG1-CG2 4.37Å; I381-Y423 HydrophobicContact CD1-CD1 3.88Å; I381-Y423 HydrophobicContact CD1-CE1 3.79Å; I381-Y423 HydrophobicContact CG1-CE1 4.39Å; I381-Y423 HydrophobicContact CG2-CD1 4.33Å; I381-Y423 HydrophobicContact CG2-CE1 3.54Å
382T82.1Confident81.9Confident55 Ų5552.5 Ų52.534%0.33728%0.277SS..Hα-helixtrans-62.2-43.3178.5-57.90000112F378 L379 I380 K386F378-T382 PolarHBondContact O-N 3.41Å; F378-T382 PolarHBondContact O-OG1 3.41Å; L379-T382 WeakPolarHBondContact O-CB 3.2Å; L379-T382 PolarHBondContact O-N 3.32Å; I380-T382 PolarHBondContact O-N 2.92Å; T382-K386 PolarHBondContact O-N 3.3Å
383I85.6Confident82.9Confident84 Ų8453.3 Ų53.343%0.43128%0.275SS..Hα-helixtrans-67.3-48176.7-67.6170.6000110.7L379 I380 I381 T385 K386 V387L379-I383 HydrophobicContact CD2-CD1 3.55Å; L379-I383 HydrophobicContact CG-CD1 4.33Å; L379-I383 WeakPolarHBondContact O-CG1 3.31Å; L379-I383 PolarHBondContact O-N 2.98Å; I380-I383 PolarHBondContact O-N 3.44Å; I380-I383 VanDerWaalsContact O-N 3.08Å; I381-I383 PolarHBondContact O-N 2.96Å; I383-T385 VanDerWaalsContact C-N 3.3Å; I383-T385 PolarHBondContact O-N 2.81Å; I383-K386 WeakPolarHBondContact O-CB 3.42Å; I383-K386 PolarHBondContact O-N 3.16Å; I383-K386 VanDerWaalsContact O-N 3.09Å; I383-V387 PolarHBondContact O-N 3.42Å; I383-V387 VanDerWaalsContact O-N 3.12Å
384M84.9Confident83.9Confident31 Ų3159.1 Ų59.115%0.15330%0.299CS..Hα-helixtrans-60.3-38.8179.4-73.7-59.594.400112.3L344 I380 I381 K386 V387 N388 T422L344-M384 HydrophobicContact CD1-SD 3.91Å; I380-M384 HydrophobicContact CG2-CG 4.08Å; I380-M384 WeakPolarHBondContact O-CB 3.45Å; I380-M384 WeakPolarHBondContact O-CG 3.28Å; I380-M384 PolarHBondContact O-N 3Å; I381-M384 PolarHBondContact O-N 3.48Å; M384-K386 VanDerWaalsContact C-N 3.27Å; M384-K386 PolarHBondContact O-N 3.15Å; M384-V387 HydrophobicContact CE-CB 4.31Å; M384-V387 HydrophobicContact CE-CG2 3.97Å; M384-V387 PolarHBondContact O-N 3.04Å; M384-V387 VanDerWaalsContact O-N 3.16Å; M384-N388 VanDerWaalsContact O-CB 3.3Å; M384-N388 WeakPolarHBondContact O-CB 3.25Å; M384-N388 PolarHBondContact O-N 3.03Å; M384-N388 PolarHBondContact O-ND2 3.41Å; M384-N388 PolarHBondContact O-OD1 2.96Å; M384-T422 HydrophobicContact CB-CG2 3.82Å
385T87.4Confident85.1Confident38 Ų3859.1 Ų59.123%0.23330%0.297CS..Hα-helixtrans-58.5-40.1175.5-57.60000111.7I381 I383 R389 M415 Q419I381-T385 WeakPolarHBondContact O-CB 3.36Å; I381-T385 PolarHBondContact O-N 3.04Å; I381-T385 PolarHBondContact O-OG1 2.95Å; I383-T385 VanDerWaalsContact C-N 3.3Å; I383-T385 PolarHBondContact O-N 2.81Å; T385-R389 PolarHBondContact O-N 3.35Å; T385-R389 VanDerWaalsContact O-N 3.14Å; T385-M415 HydrophobicContact CG2-CE 3.95Å; T385-Q419 PolarHBondContact OG1-NE2 2.97Å
386K88.8Confident85.9Confident147 Ų14755.5 Ų55.564%0.63928%0.276SS*.Hα-helixtrans-68-42.9176.2-68.1-178.7179.9176.50112.1T382 I383 M384 R389 I390T382-K386 PolarHBondContact O-N 3.3Å; I383-K386 WeakPolarHBondContact O-CB 3.42Å; I383-K386 PolarHBondContact O-N 3.16Å; I383-K386 VanDerWaalsContact O-N 3.09Å; M384-K386 VanDerWaalsContact C-N 3.27Å; M384-K386 PolarHBondContact O-N 3.15Å; K386-R389 PolarHBondContact O-N 2.98Å; K386-I390 WeakPolarHBondContact O-CG1 3.42Å; K386-I390 PolarHBondContact O-N 3.34Å
387V90.6Very high86.6Confident56 Ų5660.1 Ų60.134%0.33929%0.293SS..Hα-helixtrans-63.1-48.7177.5175.50000110.5M337 I383 M384 R389 I390 V391M337-V387 HydrophobicContact CE-CG1 4.23Å; I383-V387 PolarHBondContact O-N 3.42Å; I383-V387 VanDerWaalsContact O-N 3.12Å; M384-V387 HydrophobicContact CE-CB 4.31Å; M384-V387 HydrophobicContact CE-CG2 3.97Å; M384-V387 PolarHBondContact O-N 3.04Å; M384-V387 VanDerWaalsContact O-N 3.16Å; V387-R389 VanDerWaalsContact C-N 3.27Å; V387-R389 PolarHBondContact O-N 3.44Å; V387-I390 PolarHBondContact O-N 3.18Å; V387-V391 HydrophobicContact CG1-CG2 4.27Å; V387-V391 WeakPolarHBondContact O-CG2 3.26Å; V387-V391 PolarHBondContact O-N 3.14Å
388N91.3Very high87.4Confident0 Ų060.8 Ų60.80%030%0.298CS..Hα-helixtrans-55.4-41.5178.2-69.7-13.9000111.5M337 M384 V391 A392 M415 F418 T422M337-N388 WeakPolarHBondContact CE-OD1 3.15Å; M384-N388 VanDerWaalsContact O-CB 3.3Å; M384-N388 WeakPolarHBondContact O-CB 3.25Å; M384-N388 PolarHBondContact O-N 3.03Å; M384-N388 PolarHBondContact O-ND2 3.41Å; M384-N388 PolarHBondContact O-OD1 2.96Å; N388-V391 PolarHBondContact O-N 2.7Å; N388-A392 VanDerWaalsContact O-CB 3.23Å; N388-A392 WeakPolarHBondContact O-CB 3.33Å; N388-A392 PolarHBondContact O-N 2.93Å; N388-M415 HydrophobicContact CB-CE 4.44Å; N388-M415 HydrophobicContact CB-SD 4.07Å; N388-F418 HydrophobicContact CB-CB 4.01Å; N388-F418 HydrophobicContact CB-CD2 4.32Å; N388-T422 PolarHBondContact ND2-OG1 2.95Å; N388-T422 VanDerWaalsContact ND2-OG1 3.09Å
389R91.2Very high87.9Confident84 Ų8460.6 Ų60.632%0.31730%0.298SS..Hα-helixtrans-61.7-45175.5-178176174167.91.5112.4T385 K386 V387 L393 F411 M415 D543T385-R389 PolarHBondContact O-N 3.35Å; T385-R389 VanDerWaalsContact O-N 3.14Å; K386-R389 PolarHBondContact O-N 2.98Å; V387-R389 VanDerWaalsContact C-N 3.27Å; V387-R389 PolarHBondContact O-N 3.44Å; R389-L393 HydrophobicContact CG-CD1 4.27Å; R389-L393 WeakPolarHBondContact O-CG 3.24Å; R389-L393 PolarHBondContact O-N 2.86Å; R389-L393 VanDerWaalsContact O-N 3.08Å; R389-F411 HydrophobicContact CG-CZ 4.46Å; R389-M415 HydrophobicContact CB-CE 4.37Å; R389-M415 HydrophobicContact CB-SD 4.37Å; R389-D543 IonicContact CZ-OD2 3.42Å; R389-D543 IonicContact NH1-OD2 3.76Å; R389-D543 IonicContact NH2-OD2 2.73Å; R389-D543 PolarHBondContact NH2-OD2 3.48Å
390I91.5Very high88.1Confident121 Ų12161.9 Ų61.962%0.62130%0.301SS*.Hα-helixtrans-63.4-46.4179.5-65.8167.5000110.2K386 V387 L393 K394K386-I390 WeakPolarHBondContact O-CG1 3.42Å; K386-I390 PolarHBondContact O-N 3.34Å; V387-I390 PolarHBondContact O-N 3.18Å; I390-L393 PolarHBondContact O-N 3.36Å; I390-K394 PolarHBondContact O-N 2.99Å; I390-K394 VanDerWaalsContact O-N 3.08Å
391V92.6Very high88.3Confident41 Ų4162.4 Ų62.425%0.24831%0.306CS..Hα-helixtrans-63.3-49.1179.5174.80000110.6M337 V387 N388 L393 K394 L395 F418M337-V391 HydrophobicContact CE-CG2 4.3Å; M337-V391 HydrophobicContact CG-CG1 4.28Å; M337-V391 HydrophobicContact SD-CG1 4.26Å; M337-V391 HydrophobicContact SD-CG2 4.32Å; V387-V391 HydrophobicContact CG1-CG2 4.27Å; V387-V391 WeakPolarHBondContact O-CG2 3.26Å; V387-V391 PolarHBondContact O-N 3.14Å; N388-V391 PolarHBondContact O-N 2.7Å; V391-L393 VanDerWaalsContact C-N 3.34Å; V391-L393 PolarHBondContact O-N 3.43Å; V391-K394 PolarHBondContact O-N 3Å; V391-L395 HydrophobicContact CG1-CD1 3.91Å; V391-L395 HydrophobicContact CG1-CG 4.27Å; V391-L395 WeakPolarHBondContact O-CG 3.31Å; V391-L395 PolarHBondContact O-N 2.8Å; V391-F418 HydrophobicContact CG1-CE2 4.16Å; V391-F418 HydrophobicContact CG1-CZ 4.47Å
392A92.9Very high88.3Confident0 Ų064.1 Ų64.10%031%0.312CS..Hα-helixtrans-57.8-44.2179.100000112.1N388 K394 L395 C396 F411 K414 F418N388-A392 VanDerWaalsContact O-CB 3.23Å; N388-A392 WeakPolarHBondContact O-CB 3.33Å; N388-A392 PolarHBondContact O-N 2.93Å; A392-K394 VanDerWaalsContact C-N 3.32Å; A392-K394 PolarHBondContact O-N 3.3Å; A392-L395 PolarHBondContact O-N 3.37Å; A392-C396 PolarHBondContact O-N 2.92Å; A392-C396 PolarHBondContact O-SG 3.01Å; A392-F411 HydrophobicContact CB-CD2 3.89Å; A392-F411 HydrophobicContact CB-CE2 3.73Å; A392-K414 HydrophobicContact CB-CB 4.39Å; A392-F418 HydrophobicContact CB-CD2 4.46Å; A392-F418 HydrophobicContact CB-CE2 4.28Å
393L90.7Very high88.2Confident57 Ų5761.8 Ų61.830%0.29830%0.297SS..Hα-helixtrans-63.9-36175.9-73.1172.8000112.6R389 I390 V391 K397 F411 F545R389-L393 HydrophobicContact CG-CD1 4.27Å; R389-L393 WeakPolarHBondContact O-CG 3.24Å; R389-L393 PolarHBondContact O-N 2.86Å; R389-L393 VanDerWaalsContact O-N 3.08Å; I390-L393 PolarHBondContact O-N 3.36Å; V391-L393 VanDerWaalsContact C-N 3.34Å; V391-L393 PolarHBondContact O-N 3.43Å; L393-K397 WeakPolarHBondContact O-CG 3.16Å; L393-K397 PolarHBondContact O-N 2.99Å; L393-F411 HydrophobicContact CD2-CD2 3.92Å; L393-F411 HydrophobicContact CD2-CE2 3.84Å; L393-F411 HydrophobicContact CG-CD2 4.29Å; L393-F411 HydrophobicContact CG-CE2 3.86Å; L393-F545 HydrophobicContact CD2-CE2 4.39Å; L393-F545 HydrophobicContact CD2-CZ 3.99Å
394K91.7Very high88.1Confident130 Ų13060.5 Ų60.557%0.56529%0.288SS*.Hα-helixtrans-70.9-40.2177.3-174.361.6178179.70111.4I390 V391 A392 K397 I398I390-K394 PolarHBondContact O-N 2.99Å; I390-K394 VanDerWaalsContact O-N 3.08Å; V391-K394 PolarHBondContact O-N 3Å; A392-K394 VanDerWaalsContact C-N 3.32Å; A392-K394 PolarHBondContact O-N 3.3Å; K394-K397 WeakPolarHBondContact O-CB 3.25Å; K394-K397 PolarHBondContact O-N 3.42Å; K394-I398 WeakPolarHBondContact O-CG1 3.34Å; K394-I398 PolarHBondContact O-N 3.47Å
395L91.9Very high88Confident10 Ų1059.2 Ų59.25%0.05228%0.283CS..Hα-helixtrans-62.9-43.2175.1-68.2173.9000111.8C333 V334 V391 A392 K397 I398 E399 K414 F418C333-L395 HydrophobicContact CB-CD2 3.63Å; V334-L395 HydrophobicContact CG2-CD1 3.84Å; V391-L395 HydrophobicContact CG1-CD1 3.91Å; V391-L395 HydrophobicContact CG1-CG 4.27Å; V391-L395 WeakPolarHBondContact O-CG 3.31Å; V391-L395 PolarHBondContact O-N 2.8Å; A392-L395 PolarHBondContact O-N 3.37Å; L395-K397 PolarHBondContact O-N 3.31Å; L395-I398 WeakPolarHBondContact O-CB 3.39Å; L395-I398 PolarHBondContact O-N 2.59Å; L395-E399 PolarHBondContact O-N 2.72Å; L395-E399 VanDerWaalsContact O-N 3.13Å; L395-K414 HydrophobicContact CB-CD 4.04Å; L395-K414 HydrophobicContact CD1-CD 4.35Å; L395-F418 HydrophobicContact CD1-CE2 4.14Å; L395-F418 HydrophobicContact CD1-CZ 3.86Å
396C90.7Very high87.9Confident7 Ų759.9 Ų59.95%0.04729%0.285CS..Hα-helixtrans-62-33.2176.5-64.30000112.4A392 I398 E399 T407 F411A392-C396 PolarHBondContact O-N 2.92Å; A392-C396 PolarHBondContact O-SG 3.01Å; C396-I398 VanDerWaalsContact C-N 3.31Å; C396-I398 PolarHBondContact O-N 3.35Å; C396-E399 PolarHBondContact O-N 2.79Å; C396-T407 HydrophobicContact CB-CG2 4.06Å; C396-F411 VanDerWaalsContact SG-CA 3.55Å
397K88.8Confident87.9Confident156 Ų15654.9 Ų54.968%0.67827%0.267SS*.Hα-helixtrans-68.2-29.6174-71.9172.9-174.8178.40113L393 K394 L395L393-K397 WeakPolarHBondContact O-CG 3.16Å; L393-K397 PolarHBondContact O-N 2.99Å; K394-K397 WeakPolarHBondContact O-CB 3.25Å; K394-K397 PolarHBondContact O-N 3.42Å; L395-K397 PolarHBondContact O-N 3.31Å
398I89.9Confident87.7Confident59 Ų5953.2 Ų53.230%0.30326%0.256SS..Hα-helixtrans-75.1-33.4177.5-65.3166.4000110.7L329 V330 K394 L395 C396 E400L329-I398 HydrophobicContact CD2-CG2 3.82Å; V330-I398 HydrophobicContact CG2-CB 4.31Å; V330-I398 HydrophobicContact CG2-CG2 3.93Å; K394-I398 WeakPolarHBondContact O-CG1 3.34Å; K394-I398 PolarHBondContact O-N 3.47Å; L395-I398 WeakPolarHBondContact O-CB 3.39Å; L395-I398 PolarHBondContact O-N 2.59Å; C396-I398 VanDerWaalsContact C-N 3.31Å; C396-I398 PolarHBondContact O-N 3.35Å; I398-E400 VanDerWaalsContact C-N 3.28Å; I398-E400 PolarHBondContact O-N 3.39Å
399E86.7Confident87.6Confident64 Ų6457.4 Ų57.430%0.29927%0.274SS..Hα-helixtrans-68.3-24.3-179.5-163.6171.5158.300113.4L395 C396 T401 S410 K414L395-E399 PolarHBondContact O-N 2.72Å; L395-E399 VanDerWaalsContact O-N 3.13Å; C396-E399 PolarHBondContact O-N 2.79Å; E399-T401 HydrophobicContact CB-CG2 4.48Å; E399-T401 HydrophobicContact CG-CG2 4.15Å; E399-S410 VanDerWaalsContact CD-OG 3.3Å; E399-S410 PolarHBondContact OE1-OG 3.39Å; E399-S410 PolarHBondContact OE2-OG 3.43Å; E399-K414 IonicContact OE2-NZ 2.95Å; E399-K414 PolarHBondContact OE2-NZ 2.95Å
400E83.6Confident87.7Confident119 Ų11954.2 Ų54.256%0.55626%0.264SS*.THydrogen-bonded Turntrans50.757.4177.5-157.7-177.1162.700113.2R326 I398R326-E400 IonicContact CZ-OE2 2.97Å; R326-E400 IonicContact NH1-OE2 3.45Å; R326-E400 PolarHBondContact NH1-OE2 3.38Å; R326-E400 IonicContact NH2-OE2 3.03Å; R326-E400 PolarHBondContact NH2-OE2 2.93Å; I398-E400 VanDerWaalsContact C-N 3.28Å; I398-E400 PolarHBondContact O-N 3.39Å
401T80.3Confident87.7Confident39 Ų3948.6 Ų48.624%0.23924%0.235CC..  trans-69.2149.8178.658.20000112.8E399 T407E399-T401 HydrophobicContact CB-CG2 4.48Å; E399-T401 HydrophobicContact CG-CG2 4.15Å; T401-T407 PolarHBondContact OG1-OG1 3.24Å
402R80.3Confident87.7Confident49 Ų4947 Ų4719%0.18523%0.226CC..SBendtrans-66.8-50-176.7-172.4-175.679.592.1-4.9114.2K318K318-R402 HydrophobicContact CB-CG 3.76Å; K318-R402 HydrophobicContact CD-CG 4.48Å; K318-R402 WeakPolarHBondContact O-CD 3.39Å
403T81.3Confident87.8Confident6 Ų650.1 Ų50.14%0.03725%0.245CC..SBendtrans-111159.1-171.866.90000111.2E304 A405 D406 T407E304-T403 WeakPolarHBondContact OE2-CB 3.38Å; T403-A405 VanDerWaalsContact C-N 3.35Å; T403-D406 PolarHBondContact O-N 2.77Å; T403-D406 VanDerWaalsContact OG1-CB 3.29Å; T403-D406 WeakPolarHBondContact OG1-CB 3.2Å; T403-D406 PolarHBondContact OG1-N 2.97Å; T403-D406 PolarHBondContact OG1-OD2 3.3Å; T403-T407 PolarHBondContact O-N 3.2Å; T403-T407 PolarHBondContact O-OG1 3.49Å; T403-T407 VanDerWaalsContact O-OG1 3.1Å
404F82.6Confident87.9Confident56 Ų5648.5 Ų48.525%0.24624%0.235CC..Hα-helixtrans-69.5-37.7175178.6-95.2000111E304 D406 T407 E408E304-F404 PolarHBondContact OE1-N 3.1Å; E304-F404 PolarHBondContact OE2-N 2.74Å; E304-F404 VanDerWaalsContact OE2-N 3.15Å; F404-D406 PolarHBondContact O-N 3.38Å; F404-T407 WeakPolarHBondContact O-CB 3.34Å; F404-T407 PolarHBondContact O-N 2.66Å; F404-E408 PolarHBondContact O-N 3.46Å
405A82.9Confident88Confident5 Ų542.5 Ų42.54%0.04121%0.209CC..Hα-helixtrans-55.2-46.3172.700000112.6E300 E304 T403 T407 E408 K409E300-A405 HydrophobicContact CB-CB 4.27Å; E300-A405 WeakPolarHBondContact OE2-CB 3.33Å; E304-A405 PolarHBondContact OE1-N 3.36Å; E304-A405 VanDerWaalsContact OE1-N 3.11Å; T403-A405 VanDerWaalsContact C-N 3.35Å; A405-T407 PolarHBondContact O-N 3.44Å; A405-E408 WeakPolarHBondContact O-CB 3.36Å; A405-E408 PolarHBondContact O-N 3.4Å; A405-E408 VanDerWaalsContact O-N 3.16Å; A405-K409 WeakPolarHBondContact O-CG 3.4Å; A405-K409 PolarHBondContact O-N 2.83Å
406D85.8Confident88.2Confident52 Ų5242.9 Ų42.928%0.27821%0.21SC..Hα-helixtrans-67.1-36.8178.7-63.9-32.4000112.1T403 F404 E408 K409 S410T403-D406 PolarHBondContact O-N 2.77Å; T403-D406 VanDerWaalsContact OG1-CB 3.29Å; T403-D406 WeakPolarHBondContact OG1-CB 3.2Å; T403-D406 PolarHBondContact OG1-N 2.97Å; T403-D406 PolarHBondContact OG1-OD2 3.3Å; F404-D406 PolarHBondContact O-N 3.38Å; D406-E408 VanDerWaalsContact C-N 3.32Å; D406-E408 PolarHBondContact O-N 2.78Å; D406-K409 PolarHBondContact O-N 2.82Å; D406-S410 WeakPolarHBondContact O-CB 3.41Å; D406-S410 PolarHBondContact O-N 2.94Å
407T87.9Confident88.4Confident41 Ų4144.3 Ų44.325%0.25222%0.219SC..Hα-helixtrans-59.8-44.2170.9-47.80000111.1C396 T401 T403 F404 A405 S410 F411C396-T407 HydrophobicContact CB-CG2 4.06Å; T401-T407 PolarHBondContact OG1-OG1 3.24Å; T403-T407 PolarHBondContact O-N 3.2Å; T403-T407 PolarHBondContact O-OG1 3.49Å; T403-T407 VanDerWaalsContact O-OG1 3.1Å; F404-T407 WeakPolarHBondContact O-CB 3.34Å; F404-T407 PolarHBondContact O-N 2.66Å; A405-T407 PolarHBondContact O-N 3.44Å; T407-S410 PolarHBondContact O-N 3.33Å; T407-F411 WeakPolarHBondContact O-CB 3.49Å; T407-F411 PolarHBondContact O-N 3.45Å
408E88Confident88.6Confident22 Ų2236.9 Ų36.910%0.10319%0.186CC..Hα-helixtrans-63.3-42.5179.9-168.1177.9160.600111.1K184 F404 A405 D406 T412 K600K184-E408 IonicContact NZ-OE1 3.85Å; K184-E408 PolarHBondContact NZ-OE1 2.89Å; K184-E408 IonicContact NZ-OE2 3.91Å; F404-E408 PolarHBondContact O-N 3.46Å; A405-E408 WeakPolarHBondContact O-CB 3.36Å; A405-E408 PolarHBondContact O-N 3.4Å; A405-E408 VanDerWaalsContact O-N 3.16Å; D406-E408 VanDerWaalsContact C-N 3.32Å; D406-E408 PolarHBondContact O-N 2.78Å; E408-T412 WeakPolarHBondContact O-CB 3.47Å; E408-T412 PolarHBondContact O-N 3.11Å; E408-T412 PolarHBondContact O-OG1 3.38Å; E408-K600 IonicContact OE1-NZ 2.83Å; E408-K600 IonicContact OE2-NZ 2.97Å; E408-K600 PolarHBondContact OE2-NZ 2.82Å
409K89.4Confident88.7Confident88 Ų8834.3 Ų34.338%0.38317%0.173SC..Hα-helixtrans-61.8-50.6174.8-69.1176.4-174.1170.60111.9A405 D406 F411 T412 V413 V607A405-K409 WeakPolarHBondContact O-CG 3.4Å; A405-K409 PolarHBondContact O-N 2.83Å; D406-K409 PolarHBondContact O-N 2.82Å; K409-F411 PolarHBondContact O-N 2.88Å; K409-T412 WeakPolarHBondContact O-CB 3.35Å; K409-T412 PolarHBondContact O-N 3.48Å; K409-T412 VanDerWaalsContact O-N 3.17Å; K409-V413 PolarHBondContact O-N 3.33Å; K409-V607 HydrophobicContact CB-CG2 3.65Å; K409-V607 HydrophobicContact CD-CG2 4.3Å; K409-V607 HydrophobicContact CG-CG2 3.71Å
410S91.5Very high89Confident17 Ų1732 Ų3212%0.11916%0.162CC..Hα-helixtrans-65-38.6-179.8-175.90000112.5E399 D406 T407 K414E399-S410 VanDerWaalsContact CD-OG 3.3Å; E399-S410 PolarHBondContact OE1-OG 3.39Å; E399-S410 PolarHBondContact OE2-OG 3.43Å; D406-S410 WeakPolarHBondContact O-CB 3.41Å; D406-S410 PolarHBondContact O-N 2.94Å; T407-S410 PolarHBondContact O-N 3.33Å; S410-K414 WeakPolarHBondContact O-CG 3.33Å; S410-K414 PolarHBondContact O-N 3.16Å; S410-K414 PolarHBondContact OG-NZ 3.34Å
411F92.9Very high89.4Confident3 Ų329 Ų291%0.01315%0.147CC..Hα-helixtrans-61.2-43.5171.8173.7-96000111.6R389 A392 L393 C396 T407 K409 V413 K414 M415 F545 F548R389-F411 HydrophobicContact CG-CZ 4.46Å; A392-F411 HydrophobicContact CB-CD2 3.89Å; A392-F411 HydrophobicContact CB-CE2 3.73Å; L393-F411 HydrophobicContact CD2-CD2 3.92Å; L393-F411 HydrophobicContact CD2-CE2 3.84Å; L393-F411 HydrophobicContact CG-CD2 4.29Å; L393-F411 HydrophobicContact CG-CE2 3.86Å; C396-F411 VanDerWaalsContact SG-CA 3.55Å; T407-F411 WeakPolarHBondContact O-CB 3.49Å; T407-F411 PolarHBondContact O-N 3.45Å; K409-F411 PolarHBondContact O-N 2.88Å; F411-V413 PolarHBondContact O-N 3.43Å; F411-K414 PolarHBondContact O-N 3.32Å; F411-M415 HydrophobicContact CE1-CB 4.19Å; F411-M415 HydrophobicContact CE1-CG 4.39Å; F411-M415 HydrophobicContact CE2-CB 4.45Å; F411-M415 HydrophobicContact CZ-CB 4.13Å; F411-M415 HydrophobicContact CZ-CG 4.16Å; F411-M415 VanDerWaalsContact O-CB 3.27Å; F411-M415 WeakPolarHBondContact O-CB 3.47Å; F411-M415 PolarHBondContact O-N 3.31Å; F411-F545 AromaticContact CD1-CD1 3.88Å; F411-F545 HydrophobicContact CD1-CD1 3.88Å; F411-F545 AromaticContact CD1-CE1 3.53Å; F411-F545 HydrophobicContact CD1-CE1 3.53Å; F411-F545 AromaticContact CE1-CD1 3.55Å; F411-F545 HydrophobicContact CE1-CD1 3.55Å; F411-F545 AromaticContact CE1-CE1 3.61Å; F411-F545 HydrophobicContact CE1-CE1 3.61Å; F411-F545 HydrophobicContact CG-CE1 4.03Å; F411-F545 HydrophobicContact CZ-CD1 4.2Å; F411-F545 HydrophobicContact CZ-CE1 4.16Å; F411-F548 HydrophobicContact CD1-CE2 4.39Å; F411-F548 HydrophobicContact CD1-CZ 4.44Å; F411-F548 AromaticContact CE1-CD1 3.92Å; F411-F548 HydrophobicContact CE1-CD1 3.92Å; F411-F548 HydrophobicContact CE1-CD2 4.4Å; F411-F548 AromaticContact CE1-CE1 3.7Å; F411-F548 HydrophobicContact CE1-CE1 3.7Å; F411-F548 HydrophobicContact CE1-CE2 4.22Å; F411-F548 HydrophobicContact CE1-CG 4.29Å; F411-F548 AromaticContact CE1-CZ 3.88Å; F411-F548 HydrophobicContact CE1-CZ 3.88Å; F411-F548 HydrophobicContact CZ-CE1 4.38Å
412T92.7Very high89.9Confident8 Ų827.2 Ų27.25%0.04914%0.137CC..Hα-helixtrans-58.1-49.1-179.4-63.30000111.3E408 K409 K414 F416 F548 V607 W608 I611E408-T412 WeakPolarHBondContact O-CB 3.47Å; E408-T412 PolarHBondContact O-N 3.11Å; E408-T412 PolarHBondContact O-OG1 3.38Å; K409-T412 WeakPolarHBondContact O-CB 3.35Å; K409-T412 PolarHBondContact O-N 3.48Å; K409-T412 VanDerWaalsContact O-N 3.17Å; T412-K414 PolarHBondContact O-N 2.92Å; T412-F416 VanDerWaalsContact O-CB 3.25Å; T412-F416 WeakPolarHBondContact O-CB 3.43Å; T412-F416 PolarHBondContact O-N 2.73Å; T412-F548 HydrophobicContact CG2-CD2 4.29Å; T412-F548 HydrophobicContact CG2-CE2 3.9Å; T412-V607 HydrophobicContact CG2-CB 4.44Å; T412-W608 HydrophobicContact CG2-CD2 4.02Å; T412-W608 HydrophobicContact CG2-CE3 4.23Å; T412-W608 HydrophobicContact CG2-CH2 3.93Å; T412-W608 HydrophobicContact CG2-CZ2 3.69Å; T412-W608 HydrophobicContact CG2-CZ3 4.19Å; T412-I611 HydrophobicContact CG2-CD1 4Å
413V93.6Very high90.2Very high65 Ų6525.5 Ų25.539%0.39413%0.13SC..Hα-helixtrans-59.9-48.8178.3178.10000111.6K409 F411 T417 V607K409-V413 PolarHBondContact O-N 3.33Å; F411-V413 PolarHBondContact O-N 3.43Å; V413-T417 WeakPolarHBondContact O-CB 3.34Å; V413-T417 PolarHBondContact O-N 3.31Å; V413-T417 PolarHBondContact O-OG1 3.02Å; V413-V607 HydrophobicContact CG2-CG1 3.48Å; V413-V607 VanDerWaalsContact CG2-CG1 3.48Å
414K94.1Very high90.6Very high22 Ų2225.2 Ų25.210%0.09613%0.129CC..Hα-helixtrans-64.9-46.9-177.5-68.9176.7-179.865.60111.5V330 V334 A392 L395 E399 S410 F411 T412 T417 F418V330-K414 VanDerWaalsContact CG1-CE 3.49Å; V334-K414 HydrophobicContact CG2-CD 4.49Å; V334-K414 HydrophobicContact CG2-CG 4.4Å; A392-K414 HydrophobicContact CB-CB 4.39Å; L395-K414 HydrophobicContact CB-CD 4.04Å; L395-K414 HydrophobicContact CD1-CD 4.35Å; E399-K414 IonicContact OE2-NZ 2.95Å; E399-K414 PolarHBondContact OE2-NZ 2.95Å; S410-K414 WeakPolarHBondContact O-CG 3.33Å; S410-K414 PolarHBondContact O-N 3.16Å; S410-K414 PolarHBondContact OG-NZ 3.34Å; F411-K414 PolarHBondContact O-N 3.32Å; T412-K414 PolarHBondContact O-N 2.92Å; K414-T417 PolarHBondContact O-N 3.4Å; K414-F418 HydrophobicContact CB-CE2 4.36Å; K414-F418 VanDerWaalsContact O-CD2 3.29Å; K414-F418 WeakPolarHBondContact O-CD2 3.35Å; K414-F418 VanDerWaalsContact O-CG 3.26Å; K414-F418 WeakPolarHBondContact O-CG 3.17Å; K414-F418 PolarHBondContact O-N 2.73Å
415M93.9Very high90.9Very high4 Ų422.9 Ų22.92%0.0212%0.119CC..Hα-helixtrans-66.2-42.4-179.3-175.362.8-172.700111.6T385 N388 R389 F411 Q419 F548 L552T385-M415 HydrophobicContact CG2-CE 3.95Å; N388-M415 HydrophobicContact CB-CE 4.44Å; N388-M415 HydrophobicContact CB-SD 4.07Å; R389-M415 HydrophobicContact CB-CE 4.37Å; R389-M415 HydrophobicContact CB-SD 4.37Å; F411-M415 HydrophobicContact CE1-CB 4.19Å; F411-M415 HydrophobicContact CE1-CG 4.39Å; F411-M415 HydrophobicContact CE2-CB 4.45Å; F411-M415 HydrophobicContact CZ-CB 4.13Å; F411-M415 HydrophobicContact CZ-CG 4.16Å; F411-M415 VanDerWaalsContact O-CB 3.27Å; F411-M415 WeakPolarHBondContact O-CB 3.47Å; F411-M415 PolarHBondContact O-N 3.31Å; M415-Q419 VanDerWaalsContact O-CB 3.28Å; M415-Q419 WeakPolarHBondContact O-CB 3.35Å; M415-Q419 PolarHBondContact O-N 3.05Å; M415-F548 HydrophobicContact CB-CE1 4.37Å; M415-F548 HydrophobicContact CB-CZ 3.72Å; M415-F548 HydrophobicContact CG-CE1 3.76Å; M415-F548 HydrophobicContact CG-CZ 3.5Å; M415-F548 VanDerWaalsContact CG-CZ 3.5Å; M415-L552 HydrophobicContact CE-CD2 4.21Å; M415-L552 HydrophobicContact CG-CD2 4.28Å
416F94.9Very high91Very high19 Ų1922.7 Ų22.78%0.08312%0.118CC..Hα-helixtrans-59.7-48.2173172.9-99.1000111.1T412 F418 Q419 F420 L552 V555 I556 W608 I611 V615T412-F416 VanDerWaalsContact O-CB 3.25Å; T412-F416 WeakPolarHBondContact O-CB 3.43Å; T412-F416 PolarHBondContact O-N 2.73Å; F416-F418 PolarHBondContact O-N 3.21Å; F416-Q419 PolarHBondContact O-N 3.46Å; F416-Q419 VanDerWaalsContact O-N 3.15Å; F416-F420 HydrophobicContact CE1-CB 4.35Å; F416-F420 HydrophobicContact CE1-CD2 4.43Å; F416-F420 HydrophobicContact CZ-CB 4.34Å; F416-F420 AromaticContact CZ-CD2 3.95Å; F416-F420 HydrophobicContact CZ-CD2 3.95Å; F416-F420 HydrophobicContact CZ-CG 4.48Å; F416-F420 VanDerWaalsContact O-CB 3.27Å; F416-F420 WeakPolarHBondContact O-CB 3.34Å; F416-F420 PolarHBondContact O-N 3.12Å; F416-L552 HydrophobicContact CB-CD1 4.37Å; F416-L552 HydrophobicContact CD2-CD1 4.07Å; F416-V555 HydrophobicContact CD2-CG1 4.23Å; F416-V555 HydrophobicContact CE2-CG1 3.76Å; F416-I556 HydrophobicContact CD2-CD1 4.35Å; F416-I556 HydrophobicContact CE2-CD1 4Å; F416-W608 HydrophobicContact CB-CZ3 4.44Å; F416-W608 HydrophobicContact CD2-CZ3 4.21Å; F416-I611 HydrophobicContact CB-CD1 3.98Å; F416-I611 HydrophobicContact CD1-CD1 4.12Å; F416-I611 HydrophobicContact CD1-CG1 4.13Å; F416-I611 HydrophobicContact CD1-CG2 3.67Å; F416-I611 HydrophobicContact CD2-CG2 3.89Å; F416-I611 HydrophobicContact CE1-CG2 3.43Å; F416-I611 VanDerWaalsContact CE1-CG2 3.43Å; F416-I611 HydrophobicContact CE2-CG2 3.65Å; F416-I611 HydrophobicContact CG-CD1 3.97Å; F416-I611 HydrophobicContact CG-CG1 4.45Å; F416-I611 HydrophobicContact CG-CG2 3.9Å; F416-I611 HydrophobicContact CZ-CG2 3.41Å; F416-I611 VanDerWaalsContact CZ-CG2 3.41Å; F416-V615 HydrophobicContact CE1-CG2 4.43Å; F416-V615 HydrophobicContact CZ-CG2 3.77Å
417T94.5Very high91Very high36 Ų3620.2 Ų20.222%0.22110%0.104CC..Hα-helixtrans-59.1-48.8-179.5-56.50000111.5I338 V413 K414 Q419 F420 F421I338-T417 HydrophobicContact CD1-CG2 3.86Å; I338-T417 HydrophobicContact CG1-CG2 4.45Å; V413-T417 WeakPolarHBondContact O-CB 3.34Å; V413-T417 PolarHBondContact O-N 3.31Å; V413-T417 PolarHBondContact O-OG1 3.02Å; K414-T417 PolarHBondContact O-N 3.4Å; T417-Q419 VanDerWaalsContact C-N 3.28Å; T417-Q419 PolarHBondContact O-N 3.29Å; T417-F420 WeakPolarHBondContact O-CB 3.47Å; T417-F420 PolarHBondContact O-N 3.03Å; T417-F421 HydrophobicContact CG2-CD2 4.05Å; T417-F421 HydrophobicContact CG2-CE2 3.88Å; T417-F421 VanDerWaalsContact O-CD2 3.27Å; T417-F421 WeakPolarHBondContact O-CD2 3.3Å; T417-F421 PolarHBondContact O-N 3.45Å; T417-F421 VanDerWaalsContact O-N 3.15Å
418F94.4Very high91.1Very high0 Ų019.9 Ų19.90%010%0.099CC..Hα-helixtrans-61.6-40.2177.2-62.3-29.2000111.9V334 M337 I338 I341 N388 V391 A392 L395 K414 F416 T422V334-F418 HydrophobicContact CB-CE1 4.47Å; V334-F418 HydrophobicContact CG1-CE1 4Å; V334-F418 HydrophobicContact CG1-CZ 4.42Å; V334-F418 HydrophobicContact CG2-CZ 4.15Å; M337-F418 HydrophobicContact CB-CD1 4.46Å; M337-F418 HydrophobicContact CB-CE1 3.74Å; M337-F418 HydrophobicContact CB-CZ 3.98Å; M337-F418 HydrophobicContact CG-CD1 3.98Å; M337-F418 HydrophobicContact CG-CE1 3.63Å; M337-F418 HydrophobicContact CG-CE2 4.29Å; M337-F418 HydrophobicContact CG-CG 4.46Å; M337-F418 HydrophobicContact CG-CZ 3.81Å; I338-F418 HydrophobicContact CG1-CD1 4.29Å; I338-F418 HydrophobicContact CG1-CE1 4.33Å; I341-F418 HydrophobicContact CD1-CB 3.89Å; I341-F418 HydrophobicContact CD1-CD1 4.01Å; I341-F418 HydrophobicContact CD1-CG 4.18Å; N388-F418 HydrophobicContact CB-CB 4.01Å; N388-F418 HydrophobicContact CB-CD2 4.32Å; V391-F418 HydrophobicContact CG1-CE2 4.16Å; V391-F418 HydrophobicContact CG1-CZ 4.47Å; A392-F418 HydrophobicContact CB-CD2 4.46Å; A392-F418 HydrophobicContact CB-CE2 4.28Å; L395-F418 HydrophobicContact CD1-CE2 4.14Å; L395-F418 HydrophobicContact CD1-CZ 3.86Å; K414-F418 HydrophobicContact CB-CE2 4.36Å; K414-F418 VanDerWaalsContact O-CD2 3.29Å; K414-F418 WeakPolarHBondContact O-CD2 3.35Å; K414-F418 VanDerWaalsContact O-CG 3.26Å; K414-F418 WeakPolarHBondContact O-CG 3.17Å; K414-F418 PolarHBondContact O-N 2.73Å; F416-F418 PolarHBondContact O-N 3.21Å; F418-T422 WeakPolarHBondContact O-CB 3.5Å; F418-T422 PolarHBondContact O-N 3.07Å; F418-T422 PolarHBondContact O-OG1 3.28Å
419Q92.2Very high91Very high5 Ų520.4 Ų20.42%0.02310%0.101CC..Hα-helixtrans-73.1-34.5-178.7-174.756.3-43.500112.5T385 M415 F416 T417 T422 Y423 L552 I556T385-Q419 PolarHBondContact OG1-NE2 2.97Å; M415-Q419 VanDerWaalsContact O-CB 3.28Å; M415-Q419 WeakPolarHBondContact O-CB 3.35Å; M415-Q419 PolarHBondContact O-N 3.05Å; F416-Q419 PolarHBondContact O-N 3.46Å; F416-Q419 VanDerWaalsContact O-N 3.15Å; T417-Q419 VanDerWaalsContact C-N 3.28Å; T417-Q419 PolarHBondContact O-N 3.29Å; Q419-T422 PolarHBondContact O-N 3.04Å; Q419-T422 VanDerWaalsContact OE1-CB 3.23Å; Q419-Y423 HydrophobicContact CG-CD2 3.63Å; Q419-Y423 HydrophobicContact CG-CE2 3.52Å; Q419-Y423 WeakPolarHBondContact O-CD2 3.44Å; Q419-Y423 PolarHBondContact O-N 3.1Å; Q419-L552 HydrophobicContact CB-CD1 4.45Å; Q419-L552 HydrophobicContact CG-CD1 4.5Å; Q419-L552 HydrophobicContact CG-CD2 4.42Å; Q419-I556 HydrophobicContact CG-CD1 4.18Å; Q419-I556 HydrophobicContact CG-CG1 4.31Å
420F93.3Very high90.6Very high17 Ų1716.6 Ų16.68%0.0759%0.085CC..Hα-helixtrans-56.6-54.3172.6-178.4-91000110.5F416 T417 T422 Y423 F424 F428 I563 L618F416-F420 HydrophobicContact CE1-CB 4.35Å; F416-F420 HydrophobicContact CE1-CD2 4.43Å; F416-F420 HydrophobicContact CZ-CB 4.34Å; F416-F420 AromaticContact CZ-CD2 3.95Å; F416-F420 HydrophobicContact CZ-CD2 3.95Å; F416-F420 HydrophobicContact CZ-CG 4.48Å; F416-F420 VanDerWaalsContact O-CB 3.27Å; F416-F420 WeakPolarHBondContact O-CB 3.34Å; F416-F420 PolarHBondContact O-N 3.12Å; T417-F420 WeakPolarHBondContact O-CB 3.47Å; T417-F420 PolarHBondContact O-N 3.03Å; F420-T422 VanDerWaalsContact C-N 3.32Å; F420-T422 PolarHBondContact O-N 3.31Å; F420-Y423 PolarHBondContact O-N 2.99Å; F420-F424 HydrophobicContact CD1-CD2 4.35Å; F420-F424 AromaticContact CD2-CD2 3.35Å; F420-F424 HydrophobicContact CD2-CD2 3.35Å; F420-F424 AromaticContact CD2-CE2 3.6Å; F420-F424 HydrophobicContact CD2-CE2 3.6Å; F420-F424 HydrophobicContact CD2-CG 4.39Å; F420-F424 HydrophobicContact CE1-CB 4.32Å; F420-F424 HydrophobicContact CE1-CD2 4.33Å; F420-F424 AromaticContact CE2-CD2 3.32Å; F420-F424 HydrophobicContact CE2-CD2 3.32Å; F420-F424 AromaticContact CE2-CE2 3.61Å; F420-F424 HydrophobicContact CE2-CE2 3.61Å; F420-F424 HydrophobicContact CE2-CG 4.02Å; F420-F424 HydrophobicContact CE2-CZ 4.46Å; F420-F424 AromaticContact CG-CD2 3.87Å; F420-F424 HydrophobicContact CG-CD2 3.87Å; F420-F424 HydrophobicContact CG-CE2 4.47Å; F420-F424 HydrophobicContact CZ-CB 4.23Å; F420-F424 AromaticContact CZ-CD2 3.82Å; F420-F424 HydrophobicContact CZ-CD2 3.82Å; F420-F424 HydrophobicContact CZ-CE2 4.48Å; F420-F424 HydrophobicContact CZ-CG 4.11Å; F420-F424 WeakPolarHBondContact O-CB 3.33Å; F420-F424 VanDerWaalsContact O-CD2 3.26Å; F420-F424 WeakPolarHBondContact O-CD2 3.48Å; F420-F424 PolarHBondContact O-N 3.48Å; F420-F428 AromaticContact CE1-CE2 3.9Å; F420-F428 HydrophobicContact CE1-CE2 3.9Å; F420-F428 HydrophobicContact CE1-CZ 4.35Å; F420-F428 HydrophobicContact CZ-CE2 4.08Å; F420-F428 HydrophobicContact CZ-CZ 4.13Å; F420-I563 HydrophobicContact CE2-CD1 3.53Å; F420-I563 HydrophobicContact CZ-CD1 3.85Å; F420-L618 HydrophobicContact CE1-CD2 4Å; F420-L618 HydrophobicContact CE2-CD2 4.09Å; F420-L618 HydrophobicContact CZ-CD2 3.37Å
421F92Very high90.4Very high54 Ų5416 Ų1624%0.2378%0.081CC..Hα-helixtrans-65.1-34.4177.3-74.8-72.3000113I338 I341 I342 T417 Y423 S425I338-F421 HydrophobicContact CB-CD2 4.49Å; I338-F421 HydrophobicContact CD1-CD2 4.21Å; I338-F421 HydrophobicContact CD1-CE2 3.91Å; I338-F421 HydrophobicContact CG1-CD2 3.95Å; I338-F421 HydrophobicContact CG1-CE2 4.14Å; I338-F421 HydrophobicContact CG2-CD1 4.2Å; I338-F421 HydrophobicContact CG2-CD2 3.79Å; I338-F421 HydrophobicContact CG2-CE1 4.24Å; I338-F421 HydrophobicContact CG2-CE2 3.84Å; I338-F421 HydrophobicContact CG2-CG 3.99Å; I338-F421 HydrophobicContact CG2-CZ 4.07Å; I341-F421 HydrophobicContact CG2-CB 4.02Å; I342-F421 HydrophobicContact CD1-CD1 4.2Å; I342-F421 HydrophobicContact CD1-CE1 4.4Å; I342-F421 HydrophobicContact CG1-CD1 4.33Å; T417-F421 HydrophobicContact CG2-CD2 4.05Å; T417-F421 HydrophobicContact CG2-CE2 3.88Å; T417-F421 VanDerWaalsContact O-CD2 3.27Å; T417-F421 WeakPolarHBondContact O-CD2 3.3Å; T417-F421 PolarHBondContact O-N 3.45Å; T417-F421 VanDerWaalsContact O-N 3.15Å; F421-Y423 VanDerWaalsContact C-N 3.31Å; F421-Y423 PolarHBondContact O-N 3.46Å; F421-S425 WeakPolarHBondContact O-CB 3.28Å; F421-S425 PolarHBondContact O-N 3.42Å
422T88.9Confident90.1Very high3 Ų317.7 Ų17.72%0.0189%0.088CC..Hα-helixtrans-62.5-38.2177-58.50000111.9I381 M384 N388 F418 Q419 F420I381-T422 HydrophobicContact CG1-CG2 4.37Å; M384-T422 HydrophobicContact CB-CG2 3.82Å; N388-T422 PolarHBondContact ND2-OG1 2.95Å; N388-T422 VanDerWaalsContact ND2-OG1 3.09Å; F418-T422 WeakPolarHBondContact O-CB 3.5Å; F418-T422 PolarHBondContact O-N 3.07Å; F418-T422 PolarHBondContact O-OG1 3.28Å; Q419-T422 PolarHBondContact O-N 3.04Å; Q419-T422 VanDerWaalsContact OE1-CB 3.23Å; F420-T422 VanDerWaalsContact C-N 3.32Å; F420-T422 PolarHBondContact O-N 3.31Å
423Y87.6Confident89.7Confident13 Ų1322.5 Ų22.55%0.05111%0.109CC..Hα-helixtrans-85-43.2178.9-81.7-64.2000114.1I381 Q419 F420 F421 I472 K476 I556 F560I381-Y423 HydrophobicContact CD1-CD1 3.88Å; I381-Y423 HydrophobicContact CD1-CE1 3.79Å; I381-Y423 HydrophobicContact CG1-CE1 4.39Å; I381-Y423 HydrophobicContact CG2-CD1 4.33Å; I381-Y423 HydrophobicContact CG2-CE1 3.54Å; Q419-Y423 HydrophobicContact CG-CD2 3.63Å; Q419-Y423 HydrophobicContact CG-CE2 3.52Å; Q419-Y423 WeakPolarHBondContact O-CD2 3.44Å; Q419-Y423 PolarHBondContact O-N 3.1Å; F420-Y423 PolarHBondContact O-N 2.99Å; F421-Y423 VanDerWaalsContact C-N 3.31Å; F421-Y423 PolarHBondContact O-N 3.46Å; Y423-I472 HydrophobicContact CD1-CG2 4.27Å; Y423-I472 HydrophobicContact CE1-CG2 4.45Å; Y423-K476 HydrophobicContact CE1-CD 4.28Å; Y423-K476 WeakPolarHBondContact OH-CE 3.31Å; Y423-K476 PolarHBondContact OH-NZ 3.21Å; Y423-I556 HydrophobicContact CD2-CD1 4.2Å; Y423-I556 HydrophobicContact CD2-CG1 4.44Å; Y423-I556 HydrophobicContact CD2-CG2 3.8Å; Y423-I556 HydrophobicContact CE2-CG2 3.91Å; Y423-I556 HydrophobicContact CG-CG2 4.41Å; Y423-F560 HydrophobicContact CD1-CE2 4.38Å; Y423-F560 HydrophobicContact CD1-CZ 4.04Å; Y423-F560 HydrophobicContact CG-CE2 4.39Å; Y423-F560 HydrophobicContact CG-CZ 4.12Å
424F89.6Confident88.9Confident0 Ų019.9 Ų19.90%09%0.092CC..Hα-helixtrans-94.9-18-168.1-67.3-73.3000114F420 S426 L427 F428 I556 S559 F560 F564F420-F424 HydrophobicContact CD1-CD2 4.35Å; F420-F424 AromaticContact CD2-CD2 3.35Å; F420-F424 HydrophobicContact CD2-CD2 3.35Å; F420-F424 AromaticContact CD2-CE2 3.6Å; F420-F424 HydrophobicContact CD2-CE2 3.6Å; F420-F424 HydrophobicContact CD2-CG 4.39Å; F420-F424 HydrophobicContact CE1-CB 4.32Å; F420-F424 HydrophobicContact CE1-CD2 4.33Å; F420-F424 AromaticContact CE2-CD2 3.32Å; F420-F424 HydrophobicContact CE2-CD2 3.32Å; F420-F424 AromaticContact CE2-CE2 3.61Å; F420-F424 HydrophobicContact CE2-CE2 3.61Å; F420-F424 HydrophobicContact CE2-CG 4.02Å; F420-F424 HydrophobicContact CE2-CZ 4.46Å; F420-F424 AromaticContact CG-CD2 3.87Å; F420-F424 HydrophobicContact CG-CD2 3.87Å; F420-F424 HydrophobicContact CG-CE2 4.47Å; F420-F424 HydrophobicContact CZ-CB 4.23Å; F420-F424 AromaticContact CZ-CD2 3.82Å; F420-F424 HydrophobicContact CZ-CD2 3.82Å; F420-F424 HydrophobicContact CZ-CE2 4.48Å; F420-F424 HydrophobicContact CZ-CG 4.11Å; F420-F424 WeakPolarHBondContact O-CB 3.33Å; F420-F424 VanDerWaalsContact O-CD2 3.26Å; F420-F424 WeakPolarHBondContact O-CD2 3.48Å; F420-F424 PolarHBondContact O-N 3.48Å; F424-S426 VanDerWaalsContact C-N 3.33Å; F424-S426 PolarHBondContact O-N 3.1Å; F424-L427 HydrophobicContact CD1-CD1 4.01Å; F424-L427 HydrophobicContact CE1-CD1 4.44Å; F424-L427 PolarHBondContact O-N 2.91Å; F424-L427 VanDerWaalsContact O-N 3.1Å; F424-F428 HydrophobicContact CB-CD2 3.98Å; F424-F428 HydrophobicContact CB-CE2 3.62Å; F424-F428 HydrophobicContact CB-CZ 4.33Å; F424-F428 WeakPolarHBondContact O-CD2 3.46Å; F424-F428 WeakPolarHBondContact O-CG 3.27Å; F424-F428 PolarHBondContact O-N 3.25Å; F424-I556 HydrophobicContact CE2-CD1 4.39Å; F424-S559 VanDerWaalsContact CZ-CB 3.5Å; F424-F560 HydrophobicContact CD1-CD1 4.26Å; F424-F560 AromaticContact CD1-CE1 3.98Å; F424-F560 HydrophobicContact CD1-CE1 3.98Å; F424-F560 AromaticContact CE1-CD1 3.34Å; F424-F560 HydrophobicContact CE1-CD1 3.34Å; F424-F560 HydrophobicContact CE1-CD2 4.47Å; F424-F560 AromaticContact CE1-CE1 3.43Å; F424-F560 HydrophobicContact CE1-CE1 3.43Å; F424-F560 VanDerWaalsContact CE1-CE1 3.43Å; F424-F560 AromaticContact CE1-CG 3.9Å; F424-F560 HydrophobicContact CE1-CG 3.9Å; F424-F560 HydrophobicContact CE1-CZ 4.07Å; F424-F560 AromaticContact CZ-CD1 3.75Å; F424-F560 HydrophobicContact CZ-CD1 3.75Å; F424-F560 HydrophobicContact CZ-CD2 4.04Å; F424-F560 AromaticContact CZ-CE1 3.85Å; F424-F560 HydrophobicContact CZ-CE1 3.85Å; F424-F560 HydrophobicContact CZ-CE2 4.15Å; F424-F560 AromaticContact CZ-CG 3.84Å; F424-F560 HydrophobicContact CZ-CG 3.84Å; F424-F560 HydrophobicContact CZ-CZ 4.05Å; F424-F564 AromaticContact CD1-CD2 3.96Å; F424-F564 HydrophobicContact CD1-CD2 3.96Å; F424-F564 AromaticContact CD1-CE2 3.54Å; F424-F564 HydrophobicContact CD1-CE2 3.54Å; F424-F564 HydrophobicContact CE1-CD2 4.04Å; F424-F564 HydrophobicContact CE1-CE2 4.1Å
425S89Confident87.9Confident7 Ų720.2 Ų20.25%0.04910%0.102CC..Hα-helixtrans-56.6-44.8179.7175.60000112.3T345 H346 F421 L427 F428 Y429T345-S425 WeakPolarHBondContact OG1-CB 3.27Å; T345-S425 PolarHBondContact OG1-OG 3.2Å; H346-S425 PolarHBondContact CE1-OG 3.32Å; F421-S425 WeakPolarHBondContact O-CB 3.28Å; F421-S425 PolarHBondContact O-N 3.42Å; S425-L427 VanDerWaalsContact C-N 3.35Å; S425-L427 PolarHBondContact O-N 3.28Å; S425-F428 PolarHBondContact O-N 2.87Å; S425-Y429 PolarHBondContact O-N 3Å
426S83.9Confident87.2Confident1 Ų124.7 Ų24.71%0.00712%0.119CC..Hα-helixtrans-68.3-33.317859.40000112.6H377 F424 Y429 V430 Q468H377-S426 PolarHBondContact NE2-OG 2.83Å; F424-S426 VanDerWaalsContact C-N 3.33Å; F424-S426 PolarHBondContact O-N 3.1Å; S426-Y429 PolarHBondContact O-N 3.07Å; S426-V430 WeakPolarHBondContact O-CG2 3.29Å; S426-V430 PolarHBondContact O-N 3.15Å; S426-V430 VanDerWaalsContact O-N 3.08Å; S426-Q468 PolarHBondContact OG-NE2 3.39Å
427L86.7Confident86.4Confident0 Ų028 Ų280%014%0.136CC..Hα-helixtrans-70.3-41174.6-60.9-175.3000112.1F424 S425 Y429 V430 A431 L465 Q468 M469 I472 F560 F564F424-L427 HydrophobicContact CD1-CD1 4.01Å; F424-L427 HydrophobicContact CE1-CD1 4.44Å; F424-L427 PolarHBondContact O-N 2.91Å; F424-L427 VanDerWaalsContact O-N 3.1Å; S425-L427 VanDerWaalsContact C-N 3.35Å; S425-L427 PolarHBondContact O-N 3.28Å; L427-Y429 VanDerWaalsContact C-N 3.3Å; L427-Y429 PolarHBondContact O-N 3.35Å; L427-V430 PolarHBondContact O-N 3.02Å; L427-A431 VanDerWaalsContact O-CB 3.23Å; L427-A431 WeakPolarHBondContact O-CB 3.26Å; L427-A431 PolarHBondContact O-N 2.91Å; L427-L465 HydrophobicContact CB-CD1 3.85Å; L427-L465 HydrophobicContact CD2-CD1 3.79Å; L427-L465 HydrophobicContact CG-CD1 4.3Å; L427-Q468 HydrophobicContact CD2-CB 4.08Å; L427-Q468 HydrophobicContact CD2-CG 3.69Å; L427-M469 HydrophobicContact CD1-CG 3.82Å; L427-M469 HydrophobicContact CD2-CG 4.01Å; L427-I472 HydrophobicContact CD2-CD1 4.35Å; L427-F560 HydrophobicContact CD1-CD1 4.12Å; L427-F560 HydrophobicContact CD1-CE1 3.6Å; L427-F564 HydrophobicContact CB-CE1 4.24Å; L427-F564 HydrophobicContact CB-CE2 4.02Å; L427-F564 HydrophobicContact CB-CZ 3.72Å; L427-F564 HydrophobicContact CD1-CD2 4.19Å; L427-F564 HydrophobicContact CD1-CE2 4.14Å
428F90.2Very high85.3Confident34 Ų3426.7 Ų26.715%0.14913%0.128CC..Hα-helixtrans-61.7-40.2174-72.1-49.7000111.8F420 F424 S425 A431 F432 F564 V622F420-F428 AromaticContact CE1-CE2 3.9Å; F420-F428 HydrophobicContact CE1-CE2 3.9Å; F420-F428 HydrophobicContact CE1-CZ 4.35Å; F420-F428 HydrophobicContact CZ-CE2 4.08Å; F420-F428 HydrophobicContact CZ-CZ 4.13Å; F424-F428 HydrophobicContact CB-CD2 3.98Å; F424-F428 HydrophobicContact CB-CE2 3.62Å; F424-F428 HydrophobicContact CB-CZ 4.33Å; F424-F428 WeakPolarHBondContact O-CD2 3.46Å; F424-F428 WeakPolarHBondContact O-CG 3.27Å; F424-F428 PolarHBondContact O-N 3.25Å; S425-F428 PolarHBondContact O-N 2.87Å; F428-A431 PolarHBondContact O-N 3.02Å; F428-F432 HydrophobicContact CB-CD2 4.47Å; F428-F432 HydrophobicContact CD1-CD2 4.03Å; F428-F432 AromaticContact CD1-CE2 3.63Å; F428-F432 HydrophobicContact CD1-CE2 3.63Å; F428-F432 HydrophobicContact CE1-CE2 4.18Å; F428-F432 PolarHBondContact O-N 3.12Å; F428-F564 HydrophobicContact CD1-CE1 4.42Å; F428-F564 HydrophobicContact CD1-CE2 4.43Å; F428-F564 AromaticContact CD1-CZ 3.61Å; F428-F564 HydrophobicContact CD1-CZ 3.61Å; F428-F564 HydrophobicContact CE1-CE2 4.07Å; F428-F564 AromaticContact CE1-CZ 3.61Å; F428-F564 HydrophobicContact CE1-CZ 3.61Å; F428-F564 HydrophobicContact CG-CZ 4.33Å; F428-F564 HydrophobicContact CZ-CE2 4.38Å; F428-F564 HydrophobicContact CZ-CZ 4.32Å; F428-V622 HydrophobicContact CE1-CG1 3.97Å; F428-V622 HydrophobicContact CE1-CG2 3.73Å; F428-V622 HydrophobicContact CZ-CG2 4.24Å
429Y85.3Confident84.6Confident33 Ų3328.3 Ų28.313%0.12914%0.144CC..Iπ-helixtrans-58.7-52.9173.5178.2-102.6000111.9H346 V349 S425 S426 L427 A431 F433 L434H346-Y429 AromaticContact CD2-CD2 3.4Å; H346-Y429 WeakPolarHBondContact CD2-CD2 3.39Å; H346-Y429 AromaticContact CD2-CE2 3.94Å; H346-Y429 AromaticContact CD2-CG 3.9Å; H346-Y429 AromaticContact NE2-CD2 3.4Å; H346-Y429 WeakPolarHBondContact NE2-CD2 3.27Å; H346-Y429 AromaticContact NE2-CG 3.81Å; V349-Y429 HydrophobicContact CG1-CD1 4.04Å; V349-Y429 HydrophobicContact CG1-CE1 3.75Å; V349-Y429 HydrophobicContact CG2-CD1 4.47Å; S425-Y429 PolarHBondContact O-N 3Å; S426-Y429 PolarHBondContact O-N 3.07Å; L427-Y429 VanDerWaalsContact C-N 3.3Å; L427-Y429 PolarHBondContact O-N 3.35Å; Y429-A431 VanDerWaalsContact C-N 3.34Å; Y429-A431 PolarHBondContact O-N 3.44Å; Y429-F433 HydrophobicContact CD2-CB 3.88Å; Y429-F433 HydrophobicContact CE2-CB 4.13Å; Y429-F433 PolarHBondContact O-N 2.93Å; Y429-L434 HydrophobicContact CE1-CD1 3.89Å; Y429-L434 PolarHBondContact O-N 2.75Å
430V81.5Confident84.2Confident7 Ų729.1 Ų29.14%0.04215%0.148CC..Iπ-helixtrans-63.9-38.1-179.6174.10000112S426 L427 L434 D464 L465S426-V430 WeakPolarHBondContact O-CG2 3.29Å; S426-V430 PolarHBondContact O-N 3.15Å; S426-V430 VanDerWaalsContact O-N 3.08Å; L427-V430 PolarHBondContact O-N 3.02Å; V430-L434 HydrophobicContact CB-CD2 4.49Å; V430-L434 HydrophobicContact CG1-CD2 4.11Å; V430-L434 HydrophobicContact CG2-CD2 4.35Å; V430-D464 HydrophobicContact CG1-CB 4.05Å; V430-L465 HydrophobicContact CG1-CB 4.08Å
431A86.7Confident83.7Confident5 Ų528.6 Ų28.64%0.04115%0.146CC..Iπ-helixtrans-71.6-45.6-178.200000112.8L427 F428 Y429 L465 F564 S630L427-A431 VanDerWaalsContact O-CB 3.23Å; L427-A431 WeakPolarHBondContact O-CB 3.26Å; L427-A431 PolarHBondContact O-N 2.91Å; F428-A431 PolarHBondContact O-N 3.02Å; Y429-A431 VanDerWaalsContact C-N 3.34Å; Y429-A431 PolarHBondContact O-N 3.44Å; A431-L465 HydrophobicContact CB-CD1 4.41Å; A431-L465 HydrophobicContact CB-CD2 3.97Å; A431-F564 HydrophobicContact CB-CE1 4.14Å; A431-S630 PolarHBondContact O-OG 3.45Å
432F87.4Confident82.9Confident39 Ų3926.9 Ų26.917%0.17114%0.144CC..Iπ-helixtrans-112.6-26-164.1-58.4-47.1000115F428 V622 L625 V626 V629F428-F432 HydrophobicContact CB-CD2 4.47Å; F428-F432 HydrophobicContact CD1-CD2 4.03Å; F428-F432 AromaticContact CD1-CE2 3.63Å; F428-F432 HydrophobicContact CD1-CE2 3.63Å; F428-F432 HydrophobicContact CE1-CE2 4.18Å; F428-F432 PolarHBondContact O-N 3.12Å; F432-V622 HydrophobicContact CE2-CG1 4.33Å; F432-V622 HydrophobicContact CZ-CG1 4Å; F432-L625 HydrophobicContact CD1-CB 4.41Å; F432-L625 HydrophobicContact CE1-CB 3.48Å; F432-L625 VanDerWaalsContact CE1-CB 3.48Å; F432-L625 HydrophobicContact CZ-CB 3.57Å; F432-L625 HydrophobicContact CZ-CD1 4.29Å; F432-V626 HydrophobicContact CE1-CG2 4.04Å; F432-V626 HydrophobicContact CZ-CG2 3.97Å; F432-V629 HydrophobicContact CD1-CB 4.47Å
433F84.1Confident82.6Confident108 Ų10833.9 Ų33.947%0.47418%0.177SC..Iπ-helixtrans-110.5-35.7-172.2-62.9-85.1000112.7Y429 G435 R436 I437Y429-F433 HydrophobicContact CD2-CB 3.88Å; Y429-F433 HydrophobicContact CE2-CB 4.13Å; Y429-F433 PolarHBondContact O-N 2.93Å; F433-G435 PolarHBondContact O-N 2.97Å; F433-R436 PolarHBondContact O-N 2.85Å; F433-I437 HydrophobicContact CD1-CD1 4.09Å
434L77.4Confident82.3Confident10 Ų1034.8 Ų34.85%0.05218%0.18CC..THydrogen-bonded Turntrans-60.7133.9-179.3-167.969.6000111.4Y429 V430 R436 E454 C456 C461Y429-L434 HydrophobicContact CE1-CD1 3.89Å; Y429-L434 PolarHBondContact O-N 2.75Å; V430-L434 HydrophobicContact CB-CD2 4.49Å; V430-L434 HydrophobicContact CG1-CD2 4.11Å; V430-L434 HydrophobicContact CG2-CD2 4.35Å; L434-R436 PolarHBondContact O-N 2.83Å; L434-R436 VanDerWaalsContact O-N 3.16Å; L434-E454 HydrophobicContact CD1-CB 3.6Å; L434-C456 VanDerWaalsContact C-SG 3.56Å; L434-C456 VanDerWaalsContact CG-SG 3.57Å; L434-C456 PolarHBondContact O-SG 2.85Å; L434-C456 VanDerWaalsContact O-SG 3.39Å; L434-C461 PolarHBondContact O-SG 2.82Å; L434-C461 VanDerWaalsContact O-SG 3.41Å
435G73.2Confident81.8Confident29 Ų2937.9 Ų37.930%0.29920%0.199SC..THydrogen-bonded Turntrans72.6-1.5176.700000116.3F433F433-G435 PolarHBondContact O-N 2.97Å
436R78.6Confident81.2Confident99 Ų9944.3 Ų44.337%0.37422%0.222SC..THydrogen-bonded Turntrans-105.2-19.6-176.7-60.4-5917399.6-2.4114.7F433 L434 V629F433-R436 PolarHBondContact O-N 2.85Å; L434-R436 PolarHBondContact O-N 2.83Å; L434-R436 VanDerWaalsContact O-N 3.16Å; R436-V629 PolarHBondContact NH1-O 3.46Å; R436-V629 PolarHBondContact NH2-O 3.39Å
437I78.1Confident80.4Confident88 Ų8849 Ų4945%0.45125%0.247SC..SBendtrans-107.911.8-176.7-48.6174.6000110.9F433 G439 V445F433-I437 HydrophobicContact CD1-CD1 4.09Å; I437-G439 PolarHBondContact O-N 2.97Å; I437-V445 VanDerWaalsContact O-CB 3.3Å; I437-V445 WeakPolarHBondContact O-CB 3.34Å; I437-V445 WeakPolarHBondContact O-CG2 3.4Å
438N72.1Confident79.4Confident9 Ų953.6 Ų53.65%0.04829%0.285CS..  trans-80.1-18-166-66-0.5000114.3Y444 V445 L453 E454 E455N438-Y444 WeakPolarHBondContact O-CA 3.34Å; N438-Y444 WeakPolarHBondContact O-CD1 3.23Å; N438-V445 PolarHBondContact O-N 2.95Å; N438-L453 WeakPolarHBondContact OD1-CB 3.34Å; N438-E454 VanDerWaalsContact ND2-C 3.26Å; N438-E454 PolarHBondContact ND2-O 3.14Å; N438-E455 HydrophobicContact CB-CG 4.27Å; N438-E455 VanDerWaalsContact ND2-CA 3.29Å; N438-E455 WeakPolarHBondContact ND2-CA 3.45Å; N438-E455 WeakPolarHBondContact ND2-CG 3.31Å; N438-E455 PolarHBondContact ND2-N 3.27Å
439G78.9Confident78.3Confident33 Ų3354.4 Ų54.434%0.3430%0.303SS..EExtended strand (participates in β ladder)trans83.4-149.2-174.700000111.7I437I437-G439 PolarHBondContact O-N 2.97Å
440H83.8Confident77.5Confident22 Ų2259.8 Ų59.810%0.10233%0.329CS..EExtended strand (participates in β ladder)trans-134.4167-178.462.695.9000110.8G442 E443 Y444 Y694 F702H440-G442 PolarHBondContact ND1-N 3.42Å; H440-G442 PolarHBondContact O-N 2.85Å; H440-E443 PolarHBondContact N-O 3.24Å; H440-E443 CarbonylContact O-C 3.56Å; H440-E443 PolarHBondContact O-N 3.44Å; H440-Y444 PolarHBondContact O-N 3.04Å; H440-Y694 HydrophobicContact CB-CE2 4.29Å; H440-F702 HydrophobicContact CB-CD1 4.21Å; H440-F702 AromaticContact CE1-CG 3.68Å; H440-F702 AromaticContact CG-CD1 3.98Å; H440-F702 AromaticContact ND1-CD1 3.32Å; H440-F702 VanDerWaalsContact ND1-CD1 3.32Å; H440-F702 WeakPolarHBondContact ND1-CD1 3.27Å; H440-F702 AromaticContact ND1-CD2 3.89Å; H440-F702 AromaticContact ND1-CE1 3.91Å; H440-F702 AromaticContact ND1-CG 3.33Å; H440-F702 VanDerWaalsContact ND1-CG 3.33Å; H440-F702 WeakPolarHBondContact ND1-CG 3.06Å
441P81.8Confident76.8Confident6 Ų666.8 Ų66.84%0.03936%0.355CS..THydrogen-bonded Turntrans-51.2-25.3-179.4-31.737.9000117.4Y444 A668 V675 F677 Y694P441-Y444 VanDerWaalsContact CA-CZ 3.45Å; P441-Y444 WeakPolarHBondContact CA-OH 3.45Å; P441-A668 HydrophobicContact CB-CB 3.98Å; P441-A668 HydrophobicContact CG-CB 4.01Å; P441-V675 HydrophobicContact CB-CG2 4.49Å; P441-F677 HydrophobicContact CB-CE2 4.02Å; P441-F677 HydrophobicContact CB-CZ 3.89Å; P441-Y694 HydrophobicContact CG-CD1 3.67Å; P441-Y694 HydrophobicContact CG-CD2 4.33Å; P441-Y694 HydrophobicContact CG-CE1 3.93Å; P441-Y694 HydrophobicContact CG-CG 3.9Å
442G76.4Confident76Confident19 Ų1968.2 Ų68.220%0.19636%0.359CS..THydrogen-bonded Turntrans-80.9-28.6175.400000114.3H440 R674H440-G442 PolarHBondContact ND1-N 3.42Å; H440-G442 PolarHBondContact O-N 2.85Å; G442-R674 WeakPolarHBondContact CA-O 3.38Å
443E83.2Confident75.1Confident149 Ų14968.2 Ų68.270%0.69636%0.36SS*.EExtended strand (participates in β ladder)trans-153.496.3-179.2-166.6174-176.900110.7H440H440-E443 PolarHBondContact N-O 3.24Å; H440-E443 CarbonylContact O-C 3.56Å; H440-E443 PolarHBondContact O-N 3.44Å
444Y80.9Confident74.1Confident32 Ų3265.2 Ų65.213%0.12535%0.348CS..EExtended strand (participates in β ladder)trans-84.6142.6174.6-69.2-70000111.8N438 H440 P441 R446 R452 E455 F677N438-Y444 WeakPolarHBondContact O-CA 3.34Å; N438-Y444 WeakPolarHBondContact O-CD1 3.23Å; H440-Y444 PolarHBondContact O-N 3.04Å; P441-Y444 VanDerWaalsContact CA-CZ 3.45Å; P441-Y444 WeakPolarHBondContact CA-OH 3.45Å; Y444-R446 PolarHBondContact O-N 3.26Å; Y444-R452 VanDerWaalsContact CE2-CZ 3.43Å; Y444-R452 HydrophobicContact CG-CG 4.38Å; Y444-R452 PolarHBondContact OH-NH2 3.08Å; Y444-E455 VanDerWaalsContact CE1-OE1 3.3Å; Y444-E455 WeakPolarHBondContact CE1-OE1 3.28Å; Y444-F677 HydrophobicContact CE2-CE1 4.11Å; Y444-F677 HydrophobicContact CE2-CZ 4.22Å
445V79.8Confident73.5Confident66 Ų6667.8 Ų67.840%0.436%0.36SS..  trans-73.5126.2171.8-179.40000109.6I437 N438 L453I437-V445 VanDerWaalsContact O-CB 3.3Å; I437-V445 WeakPolarHBondContact O-CB 3.34Å; I437-V445 WeakPolarHBondContact O-CG2 3.4Å; N438-V445 PolarHBondContact O-N 2.95Å; V445-L453 HydrophobicContact CG1-CD1 4.15Å; V445-L453 WeakPolarHBondContact O-CD1 3.38Å
446R75Confident73.2Confident141 Ų14167.3 Ų67.353%0.53235%0.352SS..EExtended strand (participates in β ladder)trans-113.5126-176.9-64.6-176.4-179.8-178-0.7111.9Y444 A448 W451Y444-R446 PolarHBondContact O-N 3.26Å; R446-A448 PolarHBondContact O-N 3.4Å; R446-W451 CarbonylContact C-O 3.6Å; R446-W451 WeakPolarHBondContact CA-O 3.46Å
447L67.9Low72.4Confident101 Ų10164.9 Ų64.953%0.52935%0.345SS..EExtended strand (participates in β ladder)trans-73.8125.3171.9-157.977.9000109.6G449 Q450 W451 L453L447-G449 PolarHBondContact O-N 2.97Å; L447-Q450 PolarHBondContact O-N 2.89Å; L447-W451 PolarHBondContact N-O 2.99Å; L447-W451 PolarHBondContact O-N 3.4Å; L447-L453 HydrophobicContact CB-CD1 4.14Å
448A65.3Low71.5Confident95 Ų9562.3 Ų62.379%0.78533%0.333SS*.THydrogen-bonded Turntrans51.726.6-175.300000114.1R446 Q450R446-A448 PolarHBondContact O-N 3.4Å; A448-Q450 PolarHBondContact O-N 3.22Å; A448-Q450 VanDerWaalsContact O-N 3.15Å
449G68.1Low70.7Confident51 Ų5162.6 Ų62.653%0.52634%0.336SS..THydrogen-bonded Turntrans72.6-4.3-179.900000116L447L447-G449 PolarHBondContact O-N 2.97Å
450Q67.4Low70.1Confident147 Ų14761.6 Ų61.669%0.68733%0.326SS*.THydrogen-bonded Turntrans-116.7-34.6-171-68.5-171.5-21.400114.5L447 A448L447-Q450 PolarHBondContact O-N 2.89Å; A448-Q450 PolarHBondContact O-N 3.22Å; A448-Q450 VanDerWaalsContact O-N 3.15Å
451W66.8Low69.6Low154 Ų15461 Ų6158%0.58332%0.324SS*.EExtended strand (participates in β ladder)trans-114.8123.5-170.6-54.194.9000111L354 R446 L447L354-W451 HydrophobicContact CD2-CE3 4.14Å; L354-W451 HydrophobicContact CD2-CH2 4.4Å; L354-W451 HydrophobicContact CD2-CZ3 3.96Å; R446-W451 CarbonylContact C-O 3.6Å; R446-W451 WeakPolarHBondContact CA-O 3.46Å; L447-W451 PolarHBondContact N-O 2.99Å; L447-W451 PolarHBondContact O-N 3.4Å
452R70.6Confident69.4Low35 Ų3561 Ų6113%0.13232%0.324CS..EExtended strand (participates in β ladder)trans-67.1135.7172.2179.3168.9167.6-168.4-8.7110.1P235 D238 Y444 E455P235-R452 PolarHBondContact O-NH1 3.3Å; P235-R452 PolarHBondContact O-NH2 3.04Å; D238-R452 WeakPolarHBondContact OD1-CD 3.31Å; D238-R452 IonicContact OD1-NH1 3.55Å; D238-R452 PolarHBondContact OD1-NH1 3.5Å; Y444-R452 VanDerWaalsContact CE2-CZ 3.43Å; Y444-R452 HydrophobicContact CG-CG 4.38Å; Y444-R452 PolarHBondContact OH-NH2 3.08Å; R452-E455 IonicContact CZ-OE1 3.18Å; R452-E455 IonicContact NE-OE1 3.16Å; R452-E455 PolarHBondContact NE-OE1 2.97Å; R452-E455 IonicContact NH2-OE1 2.72Å; R452-E455 PolarHBondContact NH2-OE1 3.36Å; R452-E455 IonicContact NH2-OE2 3.3Å; R452-E455 PolarHBondContact NH2-OE2 3.27Å
453L67.2Low69.4Low38 Ų3860 Ų6020%0.19931%0.314CS..PPolyproline II helixtrans-65.3148.8175.4-87.479.7000111N438 V445 L447 E455N438-L453 WeakPolarHBondContact OD1-CB 3.34Å; V445-L453 HydrophobicContact CG1-CD1 4.15Å; V445-L453 WeakPolarHBondContact O-CD1 3.38Å; L447-L453 HydrophobicContact CB-CD1 4.14Å; L453-E455 PolarHBondContact O-N 3.29Å
454E64.1Low68.9Low46 Ų4655.4 Ų55.422%0.21529%0.294CS..PPolyproline II helixtrans-64.3129.4-179.9-75.2165.2-146.400112.4V353 L434 N438V353-E454 HydrophobicContact CB-CG 4.29Å; V353-E454 WeakPolarHBondContact CB-OE1 3.36Å; V353-E454 HydrophobicContact CG1-CG 3.91Å; V353-E454 HydrophobicContact CG2-CG 4.03Å; V353-E454 WeakPolarHBondContact CG2-OE1 3.43Å; V353-E454 WeakPolarHBondContact CG2-OE2 3.36Å; L434-E454 HydrophobicContact CD1-CB 3.6Å; N438-E454 VanDerWaalsContact ND2-C 3.26Å; N438-E454 PolarHBondContact ND2-O 3.14Å
455E65.2Low68.9Low63 Ų6353.9 Ų53.929%0.29429%0.288SS..PPolyproline II helixtrans-87142.5169.6-75.9169-166.800110.8L236 N438 Y444 R452 L453L236-E455 HydrophobicContact CD2-CB 4.28Å; L236-E455 WeakPolarHBondContact CD2-OE2 3.36Å; N438-E455 HydrophobicContact CB-CG 4.27Å; N438-E455 VanDerWaalsContact ND2-CA 3.29Å; N438-E455 WeakPolarHBondContact ND2-CA 3.45Å; N438-E455 WeakPolarHBondContact ND2-CG 3.31Å; N438-E455 PolarHBondContact ND2-N 3.27Å; Y444-E455 VanDerWaalsContact CE1-OE1 3.3Å; Y444-E455 WeakPolarHBondContact CE1-OE1 3.28Å; R452-E455 IonicContact CZ-OE1 3.18Å; R452-E455 IonicContact NE-OE1 3.16Å; R452-E455 PolarHBondContact NE-OE1 2.97Å; R452-E455 IonicContact NH2-OE1 2.72Å; R452-E455 PolarHBondContact NH2-OE1 3.36Å; R452-E455 IonicContact NH2-OE2 3.3Å; R452-E455 PolarHBondContact NH2-OE2 3.27Å; L453-E455 PolarHBondContact O-N 3.29Å
456C66.4Low69Low19 Ų1952.1 Ų52.113%0.12828%0.275CS..PPolyproline II helixtrans-67155.8170.8-65.70000110.4L434 C461L434-C456 VanDerWaalsContact C-SG 3.56Å; L434-C456 VanDerWaalsContact CG-SG 3.57Å; L434-C456 PolarHBondContact O-SG 2.85Å; L434-C456 VanDerWaalsContact O-SG 3.39Å; C456-C461 HydrophobicContact CB-CB 3.93Å; C456-C461 WeakPolarHBondContact CB-SG 3.38Å; C456-C461 WeakPolarHBondContact SG-CB 3.42Å; C456-C461 CovalentContact SG-SG 2.01Å; C456-C461 PolarHBondContact SG-SG 2.87Å
457H61.7Low69.2Low49 Ų4946.9 Ų46.923%0.22726%0.258CS..PPolyproline II helixtrans-53.8142.7166.8-156.9-93.3000109.8Y252 S459 G460Y252-H457 AromaticContact CD2-CE1 3.5Å; Y252-H457 VanDerWaalsContact CD2-CE1 3.5Å; Y252-H457 WeakPolarHBondContact CD2-CE1 3.49Å; Y252-H457 AromaticContact CD2-NE2 3.76Å; Y252-H457 AromaticContact CE2-NE2 3.98Å; Y252-H457 AromaticContact CG-CE1 3.51Å; Y252-H457 AromaticContact CG-ND1 4Å; H457-S459 PolarHBondContact ND1-OG 3.27Å; H457-S459 PolarHBondContact O-N 3.32Å; H457-S459 VanDerWaalsContact O-N 3.08Å; H457-G460 WeakPolarHBondContact O-CA 3.47Å; H457-G460 PolarHBondContact O-N 3.45Å
458P58.4Low69.6Low33 Ų3342.7 Ų42.721%0.21424%0.235CC..THydrogen-bonded Turntrans-57.7-25-177.623.2-39.7000114.7W244 T249 G460W244-P458 HydrophobicContact CH2-CB 3.46Å; W244-P458 VanDerWaalsContact CH2-CB 3.46Å; W244-P458 HydrophobicContact CH2-CG 3.28Å; W244-P458 HydrophobicContact CZ2-CB 4.26Å; W244-P458 HydrophobicContact CZ2-CG 4.08Å; W244-P458 HydrophobicContact CZ3-CB 4.23Å; W244-P458 HydrophobicContact CZ3-CG 3.71Å; T249-P458 HydrophobicContact CG2-CG 3.63Å; P458-G460 PolarHBondContact O-N 2.91Å
459S56.1Low70.5Confident15 Ų1538.3 Ų38.311%0.10520%0.198CC..THydrogen-bonded Turntrans-73-4.2172.356.40000114.4S256 H457S256-S459 PolarHBondContact OG-O 3.43Å; H457-S459 PolarHBondContact ND1-OG 3.27Å; H457-S459 PolarHBondContact O-N 3.32Å; H457-S459 VanDerWaalsContact O-N 3.08Å
460G65.3Low71Confident13 Ų1336.9 Ų36.913%0.13418%0.182CC..  trans110.5158.4177.800000114.4H457 P458 L462 T463H457-G460 WeakPolarHBondContact O-CA 3.47Å; H457-G460 PolarHBondContact O-N 3.45Å; P458-G460 PolarHBondContact O-N 2.91Å; G460-L462 PolarHBondContact O-N 3.26Å; G460-T463 PolarHBondContact O-OG1 2.97Å; G460-T463 VanDerWaalsContact O-OG1 3.08Å
461C74.2Confident71.5Confident9 Ų932.4 Ų32.46%0.06116%0.162CC..THydrogen-bonded Turntrans-72.2-14.7178.2-41.80000113.4L434 C456 T463 D464 L465L434-C461 PolarHBondContact O-SG 2.82Å; L434-C461 VanDerWaalsContact O-SG 3.41Å; C456-C461 HydrophobicContact CB-CB 3.93Å; C456-C461 WeakPolarHBondContact CB-SG 3.38Å; C456-C461 WeakPolarHBondContact SG-CB 3.42Å; C456-C461 CovalentContact SG-SG 2.01Å; C456-C461 PolarHBondContact SG-SG 2.87Å; C461-T463 VanDerWaalsContact C-N 3.32Å; C461-T463 PolarHBondContact O-N 3.47Å; C461-D464 PolarHBondContact O-N 3.36Å; C461-L465 PolarHBondContact O-N 2.91Å
462L77.4Confident72Confident5 Ų525.5 Ų25.53%0.02614%0.137CC..Hα-helixtrans-65.7-34.2-177.3-167.3151.8000111.8F259 G460 L465 F466 A567F259-L462 HydrophobicContact CB-CD2 4.16Å; G460-L462 PolarHBondContact O-N 3.26Å; L462-L465 WeakPolarHBondContact O-CB 3.41Å; L462-L465 PolarHBondContact O-N 3.24Å; L462-F466 PolarHBondContact O-N 2.89Å; L462-A567 HydrophobicContact CD2-CB 4.49Å; L462-A567 HydrophobicContact CG-CB 4.33Å
463T75.7Confident72.3Confident0 Ų024.8 Ų24.80%014%0.135CC..Hα-helixtrans-66.6-38.4176.650.60000112.3G460 C461 F466 I467G460-T463 PolarHBondContact O-OG1 2.97Å; G460-T463 VanDerWaalsContact O-OG1 3.08Å; C461-T463 VanDerWaalsContact C-N 3.32Å; C461-T463 PolarHBondContact O-N 3.47Å; T463-F466 PolarHBondContact O-N 3.39Å; T463-I467 VanDerWaalsContact O-CG1 3.27Å; T463-I467 WeakPolarHBondContact O-CG1 3.48Å; T463-I467 PolarHBondContact O-N 2.79Å
464D74.4Confident72.7Confident51 Ų5125.5 Ų25.527%0.27314%0.141SC..Hα-helixtrans-67.9-40.2178.4-65.4-19.8000110.9V430 C461 I467 Q468V430-D464 HydrophobicContact CG1-CB 4.05Å; C461-D464 PolarHBondContact O-N 3.36Å; D464-I467 PolarHBondContact O-N 3.46Å; D464-Q468 VanDerWaalsContact O-CB 3.3Å; D464-Q468 WeakPolarHBondContact O-CB 3.4Å; D464-Q468 PolarHBondContact O-N 2.98Å
465L79.5Confident73Confident0 Ų025.8 Ų25.80%014%0.143CC..Hα-helixtrans-60.2-48.9173179.766.2000111.5L427 V430 A431 C461 L462 Q468 M469 F564 A567L427-L465 HydrophobicContact CB-CD1 3.85Å; L427-L465 HydrophobicContact CD2-CD1 3.79Å; L427-L465 HydrophobicContact CG-CD1 4.3Å; V430-L465 HydrophobicContact CG1-CB 4.08Å; A431-L465 HydrophobicContact CB-CD1 4.41Å; A431-L465 HydrophobicContact CB-CD2 3.97Å; C461-L465 PolarHBondContact O-N 2.91Å; L462-L465 WeakPolarHBondContact O-CB 3.41Å; L462-L465 PolarHBondContact O-N 3.24Å; L465-Q468 PolarHBondContact O-N 3.07Å; L465-M469 HydrophobicContact CD1-SD 4.4Å; L465-M469 HydrophobicContact CG-SD 4.22Å; L465-M469 WeakPolarHBondContact O-CB 3.35Å; L465-M469 WeakPolarHBondContact O-CG 3.41Å; L465-M469 PolarHBondContact O-N 3.19Å; L465-F564 HydrophobicContact CD1-CD1 4.17Å; L465-F564 HydrophobicContact CD1-CE1 4.13Å; L465-F564 HydrophobicContact CD2-CD1 3.95Å; L465-F564 HydrophobicContact CD2-CE1 4.28Å; L465-F564 HydrophobicContact CG-CD1 4.5Å; L465-A567 HydrophobicContact CD2-CB 3.6Å; L465-A567 HydrophobicContact CG-CB 4.2Å
466F82.6Confident73.3Confident29 Ų2924.4 Ų24.413%0.12714%0.137CC..Hα-helixtrans-57.8-50.9176.4150.7-109.4000111.6L255 F259 L462 T463 Q468 M469 A470 F568L255-F466 HydrophobicContact CD1-CE1 4.37Å; L255-F466 HydrophobicContact CD2-CE1 4.21Å; F259-F466 HydrophobicContact CD2-CD1 4.23Å; F259-F466 HydrophobicContact CD2-CG 4.32Å; F259-F466 AromaticContact CE2-CD1 3.77Å; F259-F466 HydrophobicContact CE2-CD1 3.77Å; F259-F466 HydrophobicContact CE2-CD2 4.17Å; F259-F466 AromaticContact CE2-CE1 3.65Å; F259-F466 HydrophobicContact CE2-CE1 3.65Å; F259-F466 HydrophobicContact CE2-CE2 4.07Å; F259-F466 HydrophobicContact CE2-CG 4.03Å; F259-F466 AromaticContact CE2-CZ 3.81Å; F259-F466 HydrophobicContact CE2-CZ 3.81Å; F259-F466 HydrophobicContact CZ-CD1 4.49Å; F259-F466 HydrophobicContact CZ-CD2 4.2Å; F259-F466 HydrophobicContact CZ-CE1 4.16Å; F259-F466 AromaticContact CZ-CE2 3.85Å; F259-F466 HydrophobicContact CZ-CE2 3.85Å; F259-F466 AromaticContact CZ-CZ 3.82Å; F259-F466 HydrophobicContact CZ-CZ 3.82Å; L462-F466 PolarHBondContact O-N 2.89Å; T463-F466 PolarHBondContact O-N 3.39Å; F466-Q468 VanDerWaalsContact C-N 3.28Å; F466-Q468 PolarHBondContact O-N 3.23Å; F466-M469 PolarHBondContact O-N 3.24Å; F466-A470 HydrophobicContact CD2-CB 4.39Å; F466-A470 HydrophobicContact CE2-CB 3.92Å; F466-A470 HydrophobicContact CZ-CB 4.43Å; F466-A470 WeakPolarHBondContact O-CB 3.44Å; F466-A470 PolarHBondContact O-N 3.3Å; F466-F568 HydrophobicContact CD2-CB 4.46Å; F466-F568 AromaticContact CD2-CD2 3.45Å; F466-F568 HydrophobicContact CD2-CD2 3.45Å; F466-F568 VanDerWaalsContact CD2-CD2 3.45Å; F466-F568 AromaticContact CD2-CE2 3.71Å; F466-F568 HydrophobicContact CD2-CE2 3.71Å; F466-F568 HydrophobicContact CD2-CG 4.01Å; F466-F568 HydrophobicContact CD2-CZ 4.42Å; F466-F568 AromaticContact CE2-CD2 3.64Å; F466-F568 HydrophobicContact CE2-CD2 3.64Å; F466-F568 AromaticContact CE2-CE2 3.36Å; F466-F568 HydrophobicContact CE2-CE2 3.36Å; F466-F568 HydrophobicContact CE2-CG 4.48Å; F466-F568 AromaticContact CE2-CZ 3.98Å; F466-F568 HydrophobicContact CE2-CZ 3.98Å
467I78.3Confident73.6Confident32 Ų3224.4 Ų24.416%0.16413%0.134CC..Hα-helixtrans-59.6-44.2-178.9-70.1166.1000109.8M370 T463 D464 A470 I471M370-I467 HydrophobicContact CE-CG2 4.22Å; T463-I467 VanDerWaalsContact O-CG1 3.27Å; T463-I467 WeakPolarHBondContact O-CG1 3.48Å; T463-I467 PolarHBondContact O-N 2.79Å; D464-I467 PolarHBondContact O-N 3.46Å; I467-A470 PolarHBondContact O-N 3.36Å; I467-I471 HydrophobicContact CG2-CD1 3.7Å; I467-I471 HydrophobicContact CG2-CG1 4.44Å; I467-I471 WeakPolarHBondContact O-CB 3.38Å; I467-I471 WeakPolarHBondContact O-CG1 3.16Å; I467-I471 PolarHBondContact O-N 3.12Å
468Q77.6Confident74.2Confident13 Ų1326.7 Ų26.76%0.06115%0.148CC..Hα-helixtrans-63.8-43.4178.6-172.5174.8-20.800112S426 L427 D464 L465 F466 I471 I472S426-Q468 PolarHBondContact OG-NE2 3.39Å; L427-Q468 HydrophobicContact CD2-CB 4.08Å; L427-Q468 HydrophobicContact CD2-CG 3.69Å; D464-Q468 VanDerWaalsContact O-CB 3.3Å; D464-Q468 WeakPolarHBondContact O-CB 3.4Å; D464-Q468 PolarHBondContact O-N 2.98Å; L465-Q468 PolarHBondContact O-N 3.07Å; F466-Q468 VanDerWaalsContact C-N 3.28Å; F466-Q468 PolarHBondContact O-N 3.23Å; Q468-I471 PolarHBondContact O-N 3.5Å; Q468-I472 HydrophobicContact CG-CD1 3.81Å; Q468-I472 WeakPolarHBondContact O-CB 3.3Å; Q468-I472 VanDerWaalsContact O-CG1 3.23Å; Q468-I472 WeakPolarHBondContact O-CG1 3.4Å; Q468-I472 PolarHBondContact O-N 2.86Å
469M82.9Confident74.8Confident2 Ų227.1 Ų27.11%0.0115%0.147CC..Hα-helixtrans-63.7-45.4175.3-75.4178.363.900112.4L427 L465 F466 I471 I472 M473 F564 F568L427-M469 HydrophobicContact CD1-CG 3.82Å; L427-M469 HydrophobicContact CD2-CG 4.01Å; L465-M469 HydrophobicContact CD1-SD 4.4Å; L465-M469 HydrophobicContact CG-SD 4.22Å; L465-M469 WeakPolarHBondContact O-CB 3.35Å; L465-M469 WeakPolarHBondContact O-CG 3.41Å; L465-M469 PolarHBondContact O-N 3.19Å; F466-M469 PolarHBondContact O-N 3.24Å; M469-I471 VanDerWaalsContact C-N 3.32Å; M469-I471 PolarHBondContact O-N 3.27Å; M469-I472 PolarHBondContact O-N 2.91Å; M469-M473 WeakPolarHBondContact O-CB 3.24Å; M469-M473 PolarHBondContact O-N 3.49Å; M469-F564 HydrophobicContact CE-CB 3.38Å; M469-F564 HydrophobicContact CE-CG 4.42Å; M469-F564 HydrophobicContact SD-CB 3.38Å; M469-F564 WeakPolarHBondContact SD-CB 3.41Å; M469-F564 HydrophobicContact SD-CG 4.01Å; M469-F568 HydrophobicContact CE-CB 4.22Å
470A80.2Confident75.5Confident21 Ų2127.8 Ų27.817%0.17415%0.152CC..Hα-helixtrans-60.8-43.8178.500000110.7F466 I467 V474F466-A470 HydrophobicContact CD2-CB 4.39Å; F466-A470 HydrophobicContact CE2-CB 3.92Å; F466-A470 HydrophobicContact CZ-CB 4.43Å; F466-A470 WeakPolarHBondContact O-CB 3.44Å; F466-A470 PolarHBondContact O-N 3.3Å; I467-A470 PolarHBondContact O-N 3.36Å; A470-V474 WeakPolarHBondContact O-CB 3.16Å; A470-V474 VanDerWaalsContact O-CG2 3.27Å; A470-V474 WeakPolarHBondContact O-CG2 3.32Å; A470-V474 PolarHBondContact O-N 3.4Å
471I76.7Confident76Confident53 Ų5328 Ų2827%0.27215%0.151SC..Hα-helixtrans-62.3-52.4174.6-68.7167.9000110.3A374 I467 Q468 M469 M473 L475A374-I471 HydrophobicContact CB-CG2 3.73Å; I467-I471 HydrophobicContact CG2-CD1 3.7Å; I467-I471 HydrophobicContact CG2-CG1 4.44Å; I467-I471 WeakPolarHBondContact O-CB 3.38Å; I467-I471 WeakPolarHBondContact O-CG1 3.16Å; I467-I471 PolarHBondContact O-N 3.12Å; Q468-I471 PolarHBondContact O-N 3.5Å; M469-I471 VanDerWaalsContact C-N 3.32Å; M469-I471 PolarHBondContact O-N 3.27Å; I471-M473 VanDerWaalsContact C-N 3.34Å; I471-M473 PolarHBondContact O-N 2.76Å; I471-L475 HydrophobicContact CG2-CB 4.37Å; I471-L475 HydrophobicContact CG2-CD2 4.14Å; I471-L475 WeakPolarHBondContact O-CA 3.42Å; I471-L475 WeakPolarHBondContact O-CB 3.21Å; I471-L475 PolarHBondContact O-N 2.79Å
472I76.8Confident76.2Confident10 Ų1030.7 Ų30.75%0.05117%0.166CC..Hα-helixtrans-61.3-45-176.8-68.6166.3000110.8Y423 L427 Q468 M469 K476 F560Y423-I472 HydrophobicContact CD1-CG2 4.27Å; Y423-I472 HydrophobicContact CE1-CG2 4.45Å; L427-I472 HydrophobicContact CD2-CD1 4.35Å; Q468-I472 HydrophobicContact CG-CD1 3.81Å; Q468-I472 WeakPolarHBondContact O-CB 3.3Å; Q468-I472 VanDerWaalsContact O-CG1 3.23Å; Q468-I472 WeakPolarHBondContact O-CG1 3.4Å; Q468-I472 PolarHBondContact O-N 2.86Å; M469-I472 PolarHBondContact O-N 2.91Å; I472-K476 WeakPolarHBondContact O-CB 3.42Å; I472-K476 PolarHBondContact O-N 3.42Å; I472-F560 HydrophobicContact CG2-CE1 4.33Å; I472-F560 HydrophobicContact CG2-CE2 4.24Å; I472-F560 HydrophobicContact CG2-CZ 3.73Å
473M77.4Confident76Confident19 Ų1937.5 Ų37.59%0.09420%0.196CC..Hα-helixtrans-75.8-39.1-175-167.2177.762.200112.5M469 I471 Q477 F568 A571 F574M469-M473 WeakPolarHBondContact O-CB 3.24Å; M469-M473 PolarHBondContact O-N 3.49Å; I471-M473 VanDerWaalsContact C-N 3.34Å; I471-M473 PolarHBondContact O-N 2.76Å; M473-Q477 WeakPolarHBondContact O-CB 3.36Å; M473-F568 HydrophobicContact CE-CD1 4.2Å; M473-F568 HydrophobicContact CE-CE1 3.58Å; M473-A571 HydrophobicContact CE-CB 4.41Å; M473-F574 HydrophobicContact CE-CB 3.48Å; M473-F574 VanDerWaalsContact CE-CB 3.48Å; M473-F574 HydrophobicContact CE-CD2 4.01Å; M473-F574 HydrophobicContact CE-CG 4.03Å
474V76.8Confident75.7Confident53 Ų5339 Ų3932%0.32120%0.203SC..Hα-helixtrans-83.2-48.1-179.5177.80000111.3A470 Q477 I478 F574A470-V474 WeakPolarHBondContact O-CB 3.16Å; A470-V474 VanDerWaalsContact O-CG2 3.27Å; A470-V474 WeakPolarHBondContact O-CG2 3.32Å; A470-V474 PolarHBondContact O-N 3.4Å; V474-Q477 PolarHBondContact O-N 2.73Å; V474-I478 HydrophobicContact CG1-CD1 3.53Å; V474-I478 HydrophobicContact CG1-CG1 4.35Å; V474-I478 WeakPolarHBondContact O-CB 3.24Å; V474-I478 VanDerWaalsContact O-CG1 3.23Å; V474-I478 WeakPolarHBondContact O-CG1 3.2Å; V474-I478 PolarHBondContact O-N 3.01Å; V474-F574 HydrophobicContact CG2-CD1 4.33Å
475L70.3Confident75.6Confident53 Ų5339.9 Ų39.928%0.27720%0.203SC..Hα-helixtrans-68.9-46.7-174.7-173.263000111.6A374 I471 Q477 I479A374-L475 HydrophobicContact CB-CD2 4.45Å; I471-L475 HydrophobicContact CG2-CB 4.37Å; I471-L475 HydrophobicContact CG2-CD2 4.14Å; I471-L475 WeakPolarHBondContact O-CA 3.42Å; I471-L475 WeakPolarHBondContact O-CB 3.21Å; I471-L475 PolarHBondContact O-N 2.79Å; L475-Q477 VanDerWaalsContact C-N 3.26Å; L475-Q477 PolarHBondContact O-N 2.67Å; L475-I479 HydrophobicContact CD1-CD1 3.71Å; L475-I479 HydrophobicContact CD1-CG1 4.18Å; L475-I479 HydrophobicContact CD2-CD1 4.46Å; L475-I479 HydrophobicContact CG-CD1 3.7Å; L475-I479 HydrophobicContact CG-CG1 4.44Å; L475-I479 VanDerWaalsContact O-CB 3.29Å; L475-I479 WeakPolarHBondContact O-CB 2.96Å; L475-I479 WeakPolarHBondContact O-CG1 3.36Å; L475-I479 PolarHBondContact O-N 3.31Å
476K70.6Confident75.4Confident34 Ų3445.6 Ų45.615%0.14823%0.228CC..Hα-helixtrans-58-46177.1-176.5-157.8163.9-167.50109.5Y423 I472 I479 S480Y423-K476 HydrophobicContact CE1-CD 4.28Å; Y423-K476 WeakPolarHBondContact OH-CE 3.31Å; Y423-K476 PolarHBondContact OH-NZ 3.21Å; I472-K476 WeakPolarHBondContact O-CB 3.42Å; I472-K476 PolarHBondContact O-N 3.42Å; K476-I479 PolarHBondContact O-N 3.32Å; K476-S480 VanDerWaalsContact O-CB 3.27Å; K476-S480 WeakPolarHBondContact O-CB 3.45Å; K476-S480 PolarHBondContact O-N 3.04Å
477Q72.8Confident75Confident18 Ų1845.6 Ų45.68%0.08424%0.236CC..Hα-helixtrans-67.7-46.4-174.1-16264.847.200112.4M473 V474 L475 I479 S480 N481 E553 N578M473-Q477 WeakPolarHBondContact O-CB 3.36Å; V474-Q477 PolarHBondContact O-N 2.73Å; L475-Q477 VanDerWaalsContact C-N 3.26Å; L475-Q477 PolarHBondContact O-N 2.67Å; Q477-I479 VanDerWaalsContact C-N 3.3Å; Q477-I479 PolarHBondContact O-N 2.88Å; Q477-S480 PolarHBondContact O-N 3.18Å; Q477-N481 PolarHBondContact NE2-OD1 2.94Å; Q477-N481 VanDerWaalsContact O-CB 3.29Å; Q477-N481 WeakPolarHBondContact O-CB 3.29Å; Q477-N481 PolarHBondContact O-N 3.17Å; Q477-N481 PolarHBondContact O-OD1 2.77Å; Q477-E553 PolarHBondContact NE2-OE1 3.42Å; Q477-N578 HydrophobicContact CG-CB 4.03Å; Q477-N578 WeakPolarHBondContact CG-ND2 3.39Å; Q477-N578 WeakPolarHBondContact CG-OD1 3.45Å; Q477-N578 PolarHBondContact NE2-ND2 2.85Å; Q477-N578 PolarHBondContact NE2-OD1 3.23Å; Q477-N578 PolarHBondContact OE1-ND2 3.06Å
478I73.9Confident74.6Confident98 Ų9845.2 Ų45.250%0.50324%0.235SC..Hα-helixtrans-59-46175.5-67.6170.4000110.2V474 V482V474-I478 HydrophobicContact CG1-CD1 3.53Å; V474-I478 HydrophobicContact CG1-CG1 4.35Å; V474-I478 WeakPolarHBondContact O-CB 3.24Å; V474-I478 VanDerWaalsContact O-CG1 3.23Å; V474-I478 WeakPolarHBondContact O-CG1 3.2Å; V474-I478 PolarHBondContact O-N 3.01Å; I478-V482 HydrophobicContact CG2-CG2 4.36Å; I478-V482 VanDerWaalsContact O-CB 3.3Å; I478-V482 WeakPolarHBondContact O-CB 3.35Å; I478-V482 WeakPolarHBondContact O-CG2 3.37Å; I478-V482 PolarHBondContact O-N 3.4Å
479I70.9Confident74.3Confident41 Ų4146.2 Ų46.221%0.2124%0.241CC..Hα-helixtrans-64.4-44.5-179.8-69.9176.2000111.2F378 L475 K476 Q477 V482 F483F378-I479 HydrophobicContact CE1-CG2 4.41Å; F378-I479 HydrophobicContact CE2-CG2 4.16Å; F378-I479 HydrophobicContact CZ-CG2 3.72Å; L475-I479 HydrophobicContact CD1-CD1 3.71Å; L475-I479 HydrophobicContact CD1-CG1 4.18Å; L475-I479 HydrophobicContact CD2-CD1 4.46Å; L475-I479 HydrophobicContact CG-CD1 3.7Å; L475-I479 HydrophobicContact CG-CG1 4.44Å; L475-I479 VanDerWaalsContact O-CB 3.29Å; L475-I479 WeakPolarHBondContact O-CB 2.96Å; L475-I479 WeakPolarHBondContact O-CG1 3.36Å; L475-I479 PolarHBondContact O-N 3.31Å; K476-I479 PolarHBondContact O-N 3.32Å; Q477-I479 VanDerWaalsContact C-N 3.3Å; Q477-I479 PolarHBondContact O-N 2.88Å; I479-V482 PolarHBondContact O-N 3.41Å; I479-F483 HydrophobicContact CG2-CD2 3.52Å; I479-F483 HydrophobicContact CG2-CE2 3.62Å; I479-F483 VanDerWaalsContact O-CD2 3.29Å; I479-F483 WeakPolarHBondContact O-CD2 3.26Å; I479-F483 PolarHBondContact O-N 3.09Å
480S70.8Confident73.8Confident30 Ų3052.6 Ų52.621%0.2127%0.269CS..Hα-helixtrans-59.8-55.1178.8-154.90000109.8K476 Q477 V482 F483 E484K476-S480 VanDerWaalsContact O-CB 3.27Å; K476-S480 WeakPolarHBondContact O-CB 3.45Å; K476-S480 PolarHBondContact O-N 3.04Å; Q477-S480 PolarHBondContact O-N 3.18Å; S480-V482 VanDerWaalsContact C-N 3.26Å; S480-V482 PolarHBondContact O-N 3.48Å; S480-F483 PolarHBondContact O-N 3.3Å; S480-F483 VanDerWaalsContact O-N 3.16Å; S480-E484 WeakPolarHBondContact O-CB 3.46Å; S480-E484 PolarHBondContact O-N 3.03Å
481N77.3Confident73.3Confident18 Ų1859 Ų5910%0.09629%0.293CS..Hα-helixtrans-57.4-39.6-179.8-63.712.7000111.5Q477 Y485 N578 E582 L585Q477-N481 PolarHBondContact NE2-OD1 2.94Å; Q477-N481 VanDerWaalsContact O-CB 3.29Å; Q477-N481 WeakPolarHBondContact O-CB 3.29Å; Q477-N481 PolarHBondContact O-N 3.17Å; Q477-N481 PolarHBondContact O-OD1 2.77Å; N481-Y485 VanDerWaalsContact O-CB 3.3Å; N481-Y485 WeakPolarHBondContact O-CB 3.31Å; N481-Y485 PolarHBondContact O-N 3.27Å; N481-N578 PolarHBondContact ND2-OD1 3.45Å; N481-N578 VanDerWaalsContact ND2-OD1 3.16Å; N481-E582 PolarHBondContact OD1-OE2 3.19Å; N481-L585 HydrophobicContact CB-CD1 3.67Å
482V77.2Confident72.8Confident64 Ų6460.5 Ų60.539%0.38830%0.297SS..Hα-helixtrans-66.7-52.8176.8166.50000111.4I478 I479 S480 E484 Y485 F486I478-V482 HydrophobicContact CG2-CG2 4.36Å; I478-V482 VanDerWaalsContact O-CB 3.3Å; I478-V482 WeakPolarHBondContact O-CB 3.35Å; I478-V482 WeakPolarHBondContact O-CG2 3.37Å; I478-V482 PolarHBondContact O-N 3.4Å; I479-V482 PolarHBondContact O-N 3.41Å; S480-V482 VanDerWaalsContact C-N 3.26Å; S480-V482 PolarHBondContact O-N 3.48Å; V482-E484 VanDerWaalsContact C-N 3.28Å; V482-E484 PolarHBondContact O-N 3Å; V482-Y485 PolarHBondContact O-N 3.35Å; V482-F486 HydrophobicContact CB-CD2 4.4Å; V482-F486 HydrophobicContact CG1-CD2 3.86Å; V482-F486 HydrophobicContact CG1-CE2 4.43Å; V482-F486 WeakPolarHBondContact O-CB 3.49Å; V482-F486 VanDerWaalsContact O-CD2 3.3Å; V482-F486 WeakPolarHBondContact O-CD2 3.27Å; V482-F486 PolarHBondContact O-N 3.05Å
483F72.8Confident72.5Confident148 Ų14867.4 Ų67.465%0.64933%0.328SS*.Hα-helixtrans-66.2-34.2-178.9-83.3-65.9000112.4I479 S480 G487I479-F483 HydrophobicContact CG2-CD2 3.52Å; I479-F483 HydrophobicContact CG2-CE2 3.62Å; I479-F483 VanDerWaalsContact O-CD2 3.29Å; I479-F483 WeakPolarHBondContact O-CD2 3.26Å; I479-F483 PolarHBondContact O-N 3.09Å; S480-F483 PolarHBondContact O-N 3.3Å; S480-F483 VanDerWaalsContact O-N 3.16Å; F483-G487 VanDerWaalsContact O-CA 3.25Å; F483-G487 WeakPolarHBondContact O-CA 3.36Å; F483-G487 PolarHBondContact O-N 3.01Å
484E69.8Low72Confident31 Ų3172.4 Ų72.415%0.14535%0.354CS..Hα-helixtrans-67.9-44.5178.2-172.7-179.9137.800112.2S480 V482 P488 K589S480-E484 WeakPolarHBondContact O-CB 3.46Å; S480-E484 PolarHBondContact O-N 3.03Å; V482-E484 VanDerWaalsContact C-N 3.28Å; V482-E484 PolarHBondContact O-N 3Å; E484-P488 WeakPolarHBondContact O-CD 3.14Å; E484-P488 WeakPolarHBondContact O-CG 3.25Å; E484-K589 HydrophobicContact CG-CD 3.77Å; E484-K589 VanDerWaalsContact OE1-CD 3.24Å; E484-K589 WeakPolarHBondContact OE1-CD 3.38Å; E484-K589 WeakPolarHBondContact OE1-CE 3.35Å; E484-K589 IonicContact OE1-NZ 3.92Å; E484-K589 PolarHBondContact OE1-NZ 2.99Å; E484-K589 IonicContact OE2-NZ 3.49Å; E484-K589 PolarHBondContact OE2-NZ 2.99Å
485Y72.6Confident71.2Confident70 Ų7072.7 Ų72.728%0.27537%0.367SS..Hα-helixtrans-74.8-54.1177.9-177.4-104.2000111.7N481 V482 L489 L585N481-Y485 VanDerWaalsContact O-CB 3.3Å; N481-Y485 WeakPolarHBondContact O-CB 3.31Å; N481-Y485 PolarHBondContact O-N 3.27Å; V482-Y485 PolarHBondContact O-N 3.35Å; Y485-L489 HydrophobicContact CD1-CD1 4Å; Y485-L489 HydrophobicContact CD2-CD1 4.07Å; Y485-L489 HydrophobicContact CE1-CD1 3.6Å; Y485-L489 HydrophobicContact CE2-CD1 3.66Å; Y485-L489 HydrophobicContact CG-CD1 4.22Å; Y485-L489 VanDerWaalsContact CZ-CD1 3.42Å; Y485-L489 WeakPolarHBondContact O-CD1 3.43Å; Y485-L585 HydrophobicContact CD2-CD2 3.79Å; Y485-L585 HydrophobicContact CG-CD2 4.21Å
486F74.3Confident70.8Confident121 Ų12171.7 Ų71.753%0.53136%0.361SS..Hα-helixtrans-77.1-28.4-172-70.6-76.6000113.1V482 L489 F490V482-F486 HydrophobicContact CB-CD2 4.4Å; V482-F486 HydrophobicContact CG1-CD2 3.86Å; V482-F486 HydrophobicContact CG1-CE2 4.43Å; V482-F486 WeakPolarHBondContact O-CB 3.49Å; V482-F486 VanDerWaalsContact O-CD2 3.3Å; V482-F486 WeakPolarHBondContact O-CD2 3.27Å; V482-F486 PolarHBondContact O-N 3.05Å; F486-L489 PolarHBondContact O-N 3.42Å; F486-F490 VanDerWaalsContact O-CB 3.24Å; F486-F490 WeakPolarHBondContact O-CB 3.37Å; F486-F490 PolarHBondContact O-N 3.31Å
487G74.7Confident70.3Confident28 Ų2878.4 Ų78.429%0.28939%0.39SS..Hα-helixtrans-58.9-58.2-177.200000113.5F483 L489 F490 K491F483-G487 VanDerWaalsContact O-CA 3.25Å; F483-G487 WeakPolarHBondContact O-CA 3.36Å; F483-G487 PolarHBondContact O-N 3.01Å; G487-L489 VanDerWaalsContact C-N 3.33Å; G487-L489 PolarHBondContact O-N 2.95Å; G487-F490 PolarHBondContact O-N 3.47Å; G487-K491 PolarHBondContact O-N 3.38Å
488P70.8Confident69.7Low24 Ų2487 Ų8716%0.15643%0.427CS..Hα-helixtrans-64.7-36.6176.8-20.232.4000112.4E484 K491 K492 L593E484-P488 WeakPolarHBondContact O-CD 3.14Å; E484-P488 WeakPolarHBondContact O-CG 3.25Å; P488-K491 PolarHBondContact O-N 2.88Å; P488-K492 VanDerWaalsContact O-CB 3.25Å; P488-K492 WeakPolarHBondContact O-CB 3.1Å; P488-K492 PolarHBondContact O-N 3.4Å; P488-L593 HydrophobicContact CB-CB 3.95Å; P488-L593 HydrophobicContact CB-CD1 4.1Å; P488-L593 HydrophobicContact CB-CD2 4.39Å; P488-L593 HydrophobicContact CB-CG 4.36Å; P488-L593 HydrophobicContact CG-CD1 4.33Å
489L71.5Confident69.3Low35 Ų3586.1 Ų86.118%0.18342%0.417CS..Hα-helixtrans-62.7-43.3176.9-102.1147.8000112.1Y485 F486 G487 K492 F493 L593Y485-L489 HydrophobicContact CD1-CD1 4Å; Y485-L489 HydrophobicContact CD2-CD1 4.07Å; Y485-L489 HydrophobicContact CE1-CD1 3.6Å; Y485-L489 HydrophobicContact CE2-CD1 3.66Å; Y485-L489 HydrophobicContact CG-CD1 4.22Å; Y485-L489 VanDerWaalsContact CZ-CD1 3.42Å; Y485-L489 WeakPolarHBondContact O-CD1 3.43Å; F486-L489 PolarHBondContact O-N 3.42Å; G487-L489 VanDerWaalsContact C-N 3.33Å; G487-L489 PolarHBondContact O-N 2.95Å; L489-K492 CarbonylContact O-C 3.56Å; L489-K492 VanDerWaalsContact O-CB 3.3Å; L489-K492 WeakPolarHBondContact O-CB 3.3Å; L489-K492 PolarHBondContact O-N 2.86Å; L489-F493 HydrophobicContact CD2-CD2 4.09Å; L489-F493 HydrophobicContact CD2-CE2 3.59Å; L489-F493 WeakPolarHBondContact O-CD2 3.44Å; L489-F493 PolarHBondContact O-N 2.96Å; L489-L593 HydrophobicContact CG-CD2 4.39Å
490F71.4Confident69.2Low136 Ų13686.6 Ų86.660%0.59642%0.419SS*.Hα-helixtrans-66.1-43.6178.7-170.1-108.8000111.8F486 G487 K492 F493 L494F486-F490 VanDerWaalsContact O-CB 3.24Å; F486-F490 WeakPolarHBondContact O-CB 3.37Å; F486-F490 PolarHBondContact O-N 3.31Å; G487-F490 PolarHBondContact O-N 3.47Å; F490-K492 VanDerWaalsContact C-N 3.28Å; F490-K492 PolarHBondContact O-N 3.23Å; F490-F493 PolarHBondContact O-N 3.44Å; F490-L494 HydrophobicContact CD1-CD1 3.55Å; F490-L494 HydrophobicContact CD1-CG 4.44Å; F490-L494 HydrophobicContact CE1-CD1 3.19Å; F490-L494 HydrophobicContact CE1-CG 4.19Å; F490-L494 HydrophobicContact CE2-CD1 4.34Å; F490-L494 HydrophobicContact CG-CD1 4.27Å; F490-L494 HydrophobicContact CZ-CD1 3.63Å; F490-L494 HydrophobicContact CZ-CD2 4.5Å; F490-L494 HydrophobicContact CZ-CG 4.23Å; F490-L494 PolarHBondContact O-N 2.78Å
491K69.6Low69.1Low154 Ų15490.2 Ų90.267%0.6743%0.432SS*.Hα-helixtrans-58.3-42170.8-71.1179.5-178175.40111.6G487 P488 G495G487-K491 PolarHBondContact O-N 3.38Å; P488-K491 PolarHBondContact O-N 2.88Å; K491-G495 PolarHBondContact O-N 3.22Å
492K66.9Low69Low85 Ų8595.6 Ų95.637%0.3745%0.454SS..Hα-helixtrans-61.8-45176.4-165.1-174.6-177.9165.70110.7P488 L489 F490 K496P488-K492 VanDerWaalsContact O-CB 3.25Å; P488-K492 WeakPolarHBondContact O-CB 3.1Å; P488-K492 PolarHBondContact O-N 3.4Å; L489-K492 CarbonylContact O-C 3.56Å; L489-K492 VanDerWaalsContact O-CB 3.3Å; L489-K492 WeakPolarHBondContact O-CB 3.3Å; L489-K492 PolarHBondContact O-N 2.86Å; F490-K492 VanDerWaalsContact C-N 3.28Å; F490-K492 PolarHBondContact O-N 3.23Å; K492-K496 HydrophobicContact CB-CD 4.47Å; K492-K496 HydrophobicContact CG-CD 3.58Å; K492-K496 VanDerWaalsContact O-CB 3.3Å; K492-K496 WeakPolarHBondContact O-CB 3.31Å; K492-K496 WeakPolarHBondContact O-CD 3.27Å; K492-K496 WeakPolarHBondContact O-CE 3.43Å; K492-K496 WeakPolarHBondContact O-CG 3.5Å
493F69.3Low68.8Low156 Ų15692.9 Ų92.968%0.68444%0.438SS*.Hα-helixtrans-68.7-42.7-178.9-88.5-70.7000113.2L489 F490 G495L489-F493 HydrophobicContact CD2-CD2 4.09Å; L489-F493 HydrophobicContact CD2-CE2 3.59Å; L489-F493 WeakPolarHBondContact O-CD2 3.44Å; L489-F493 PolarHBondContact O-N 2.96Å; F490-F493 PolarHBondContact O-N 3.44Å; F493-G495 PolarHBondContact O-N 3.34Å
494L68.2Low68.9Low124 Ų12490 Ų9065%0.64943%0.426SS*.Hα-helixtrans-67.7-34-177.2-76.4169.6000113.8F490F490-L494 HydrophobicContact CD1-CD1 3.55Å; F490-L494 HydrophobicContact CD1-CG 4.44Å; F490-L494 HydrophobicContact CE1-CD1 3.19Å; F490-L494 HydrophobicContact CE1-CG 4.19Å; F490-L494 HydrophobicContact CE2-CD1 4.34Å; F490-L494 HydrophobicContact CG-CD1 4.27Å; F490-L494 HydrophobicContact CZ-CD1 3.63Å; F490-L494 HydrophobicContact CZ-CD2 4.5Å; F490-L494 HydrophobicContact CZ-CG 4.23Å; F490-L494 PolarHBondContact O-N 2.78Å
495G60.5Low69Low58 Ų5897.6 Ų97.660%0.59845%0.454SS*.THydrogen-bonded Turntrans-83.7-8.8-173.700000116.7K491 F493K491-G495 PolarHBondContact O-N 3.22Å; F493-G495 PolarHBondContact O-N 3.34Å
496K61.2Low69Low32 Ų3299.4 Ų99.414%0.13946%0.463CS..  trans-105-26.5-145.3-84.2-172.6-164.1-129.40121.5K492 Q500 E538K492-K496 HydrophobicContact CB-CD 4.47Å; K492-K496 HydrophobicContact CG-CD 3.58Å; K492-K496 VanDerWaalsContact O-CB 3.3Å; K492-K496 WeakPolarHBondContact O-CB 3.31Å; K492-K496 WeakPolarHBondContact O-CD 3.27Å; K492-K496 WeakPolarHBondContact O-CE 3.43Å; K492-K496 WeakPolarHBondContact O-CG 3.5Å; K496-Q500 WeakPolarHBondContact O-CB 3.39Å; K496-E538 WeakPolarHBondContact CE-OE2 3.3Å; K496-E538 IonicContact NZ-OE2 3.41Å; K496-E538 PolarHBondContact NZ-OE2 3.38Å
497K59.2Low69.1Low175 Ų17594.2 Ų94.276%0.76144%0.442SS*.Hα-helixtrans-71.3-51.9-160.9-82.4180174.9177.30114.5H501K497-H501 PolarHBondContact O-CD2 2.86Å
498K61.4Low68.8Low199 Ų19995.1 Ų95.187%0.86545%0.446SS*.Hα-helixtrans-72.7-46.2-170.3-98.1179.5175.91760115K502K498-K502 PolarHBondContact O-N 3.27Å
499R65.6Low68.7Low80 Ų8098.6 Ų98.630%0.30247%0.467SS..Hα-helixtrans-74.7-41.7-170.1-169.4173.7171.6161.50.7112.6D74 H501 K502 L503 H534D74-R499 VanDerWaalsContact CG-NH2 3.34Å; D74-R499 IonicContact OD2-CZ 3.38Å; D74-R499 IonicContact OD2-NE 3.24Å; D74-R499 IonicContact OD2-NH1 2.71Å; D74-R499 PolarHBondContact OD2-NH1 2.61Å; D74-R499 IonicContact OD2-NH2 2.89Å; D74-R499 PolarHBondContact OD2-NH2 2.82Å; R499-H501 PolarHBondContact O-N 3.15Å; R499-K502 WeakPolarHBondContact O-CB 3.34Å; R499-K502 PolarHBondContact O-N 3.38Å; R499-K502 VanDerWaalsContact O-N 3.17Å; R499-L503 HydrophobicContact CG-CD1 4.2Å; R499-L503 VanDerWaalsContact O-CD1 3.25Å; R499-L503 WeakPolarHBondContact O-CD1 3.49Å; R499-L503 PolarHBondContact O-N 3.35Å; R499-H534 PolarHBondContact NE-NE2 2.91Å; R499-H534 PolarHBondContact NH2-NE2 2.91Å; R499-H534 VanDerWaalsContact NH2-NE2 3.1Å
500Q68.8Low68.5Low51 Ų5199 Ų9924%0.23847%0.472CS..Hα-helixtrans-66.8-38.3179.9-162.5169.61200112K496 K502 L503 Q504K496-Q500 WeakPolarHBondContact O-CB 3.39Å; Q500-K502 VanDerWaalsContact C-N 3.3Å; Q500-K502 PolarHBondContact O-N 3.31Å; Q500-L503 PolarHBondContact O-N 3.07Å; Q500-Q504 VanDerWaalsContact O-CB 3.28Å; Q500-Q504 WeakPolarHBondContact O-CB 3.25Å; Q500-Q504 PolarHBondContact O-N 3.27Å
501H68.9Low68Low106 Ų10699.4 Ų99.449%0.49147%0.471SS..Hα-helixtrans-61.6-36172.7-78.5-53000112.5K497 R499 Q504 R505K497-H501 PolarHBondContact O-CD2 2.86Å; R499-H501 PolarHBondContact O-N 3.15Å; H501-Q504 PolarHBondContact O-N 3.38Å; H501-R505 WeakPolarHBondContact O-CG 3.5Å; H501-R505 PolarHBondContact O-N 3.03Å
502K74.2Confident67.4Low130 Ų13098.9 Ų98.957%0.56548%0.475SS*.Hα-helixtrans-65.7-45.9176.1-169.9176.1-178.3177.10112.1K498 R499 Q500 K506K498-K502 PolarHBondContact O-N 3.27Å; R499-K502 WeakPolarHBondContact O-CB 3.34Å; R499-K502 PolarHBondContact O-N 3.38Å; R499-K502 VanDerWaalsContact O-N 3.17Å; Q500-K502 VanDerWaalsContact C-N 3.3Å; Q500-K502 PolarHBondContact O-N 3.31Å; K502-K506 PolarHBondContact O-N 2.7Å
503L73.3Confident66.7Low7 Ų7103.7 Ų103.74%0.03750%0.496CS..Hα-helixtrans-67.4-36.6174.9-82.187.9000112.2Y73 R499 Q500 K506 C507 L530 R531 H534Y73-L503 HydrophobicContact CE1-CD1 3.81Å; Y73-L503 HydrophobicContact CE1-CD2 4.45Å; Y73-L503 WeakPolarHBondContact OH-CD1 3.38Å; R499-L503 HydrophobicContact CG-CD1 4.2Å; R499-L503 VanDerWaalsContact O-CD1 3.25Å; R499-L503 WeakPolarHBondContact O-CD1 3.49Å; R499-L503 PolarHBondContact O-N 3.35Å; Q500-L503 PolarHBondContact O-N 3.07Å; L503-K506 PolarHBondContact O-N 3.02Å; L503-C507 WeakPolarHBondContact O-CB 3.13Å; L503-C507 PolarHBondContact O-N 3Å; L503-L530 HydrophobicContact CD2-CG 4.11Å; L503-R531 HydrophobicContact CB-CB 4.31Å; L503-R531 HydrophobicContact CB-CG 4.35Å; L503-R531 HydrophobicContact CD2-CB 4.17Å; L503-H534 HydrophobicContact CD2-CB 4.04Å
504Q74.9Confident65.6Low87 Ų87101 Ų10141%0.40749%0.489SS..Hα-helixtrans-64.1-42.5178.1-174.9172.2-3.900111.6Q500 H501 C507 A508Q500-Q504 VanDerWaalsContact O-CB 3.28Å; Q500-Q504 WeakPolarHBondContact O-CB 3.25Å; Q500-Q504 PolarHBondContact O-N 3.27Å; H501-Q504 PolarHBondContact O-N 3.38Å; Q504-C507 PolarHBondContact O-N 2.74Å; Q504-A508 VanDerWaalsContact O-CB 3.29Å; Q504-A508 WeakPolarHBondContact O-CB 3.37Å; Q504-A508 PolarHBondContact O-N 3.37Å
505R72.4Confident64.4Low192 Ų192101.5 Ų101.573%0.72549%0.492SS*.Hα-helixtrans-59.9-48.7172.6-74.8179.7-179.2-179.5-0111.6H501 C507 A508 T509H501-R505 WeakPolarHBondContact O-CG 3.5Å; H501-R505 PolarHBondContact O-N 3.03Å; R505-C507 VanDerWaalsContact C-N 3.33Å; R505-C507 PolarHBondContact O-N 3.09Å; R505-A508 PolarHBondContact O-N 3.47Å; R505-T509 PolarHBondContact O-N 2.8Å; R505-T509 PolarHBondContact O-OG1 3.16Å
506K72.3Confident63.5Low108 Ų108108.4 Ų108.447%0.4750%0.501SS..Hα-helixtrans-56-45.2177.4-75.2-172.8174.6-165.60112.6K502 L503 C510K502-K506 PolarHBondContact O-N 2.7Å; L503-K506 PolarHBondContact O-N 3.02Å; K506-C510 PolarHBondContact O-N 3.29Å; K506-C510 PolarHBondContact O-SG 2.86Å
507C75.4Confident62.5Low12 Ų12112.6 Ų112.68%0.08152%0.521CS..Hα-helixtrans-69.3-40.3177.8173.30000112.2L503 Q504 R505 C510 Y511 C528L503-C507 WeakPolarHBondContact O-CB 3.13Å; L503-C507 PolarHBondContact O-N 3Å; Q504-C507 PolarHBondContact O-N 2.74Å; R505-C507 VanDerWaalsContact C-N 3.33Å; R505-C507 PolarHBondContact O-N 3.09Å; C507-C510 PolarHBondContact O-N 3.12Å; C507-Y511 WeakPolarHBondContact O-CB 3.4Å; C507-Y511 PolarHBondContact O-N 3.17Å; C507-C528 WeakPolarHBondContact CA-SG 2.97Å; C507-C528 HydrophobicContact CB-CB 4.1Å; C507-C528 WeakPolarHBondContact CB-SG 3.37Å; C507-C528 VanDerWaalsContact SG-CA 3.57Å; C507-C528 WeakPolarHBondContact SG-CB 3.47Å; C507-C528 CovalentContact SG-SG 2.04Å; C507-C528 PolarHBondContact SG-SG 3.44Å
508A69.8Low61.8Low46 Ų46109.7 Ų109.738%0.3851%0.513SS..Hα-helixtrans-63.9-40.2177.300000112.4Q504 R505 C510 Y511 L512Q504-A508 VanDerWaalsContact O-CB 3.29Å; Q504-A508 WeakPolarHBondContact O-CB 3.37Å; Q504-A508 PolarHBondContact O-N 3.37Å; R505-A508 PolarHBondContact O-N 3.47Å; A508-C510 VanDerWaalsContact C-N 3.29Å; A508-C510 PolarHBondContact O-N 3.09Å; A508-Y511 PolarHBondContact O-N 3.39Å; A508-L512 WeakPolarHBondContact O-CG 3.29Å; A508-L512 PolarHBondContact O-N 3.16Å
509T68.8Low60.8Low97 Ų97107.1 Ų107.160%0.59550%0.502SS*.Hα-helixtrans-62.5-35.1173.9-54.40000112.2R505R505-T509 PolarHBondContact O-N 2.8Å; R505-T509 PolarHBondContact O-OG1 3.16Å
510C66.2Low59.6Low44 Ų44110.6 Ų110.630%0.29752%0.522SS..Hα-helixtrans-72.4-42173.2-64.10000112.2K506 C507 A508 L512 K513 C525K506-C510 PolarHBondContact O-N 3.29Å; K506-C510 PolarHBondContact O-SG 2.86Å; C507-C510 PolarHBondContact O-N 3.12Å; A508-C510 VanDerWaalsContact C-N 3.29Å; A508-C510 PolarHBondContact O-N 3.09Å; C510-L512 VanDerWaalsContact C-N 3.32Å; C510-L512 PolarHBondContact O-N 3.27Å; C510-K513 WeakPolarHBondContact O-CB 3.27Å; C510-K513 PolarHBondContact O-N 2.97Å; C510-C525 HydrophobicContact CB-CB 4.06Å; C510-C525 WeakPolarHBondContact CB-SG 3.38Å
511Y61.3Low58.6Low145 Ų145110.5 Ų110.557%0.56954%0.535SS*.Hα-helixtrans-63.1-37.8-178.4-163.7-94.9000112.4C507 A508 K513 D514 L518C507-Y511 WeakPolarHBondContact O-CB 3.4Å; C507-Y511 PolarHBondContact O-N 3.17Å; A508-Y511 PolarHBondContact O-N 3.39Å; Y511-K513 PolarHBondContact O-N 3.45Å; Y511-D514 PolarHBondContact O-N 2.91Å; Y511-L518 HydrophobicContact CE2-CD1 3.9Å
512L56.8Low57.8Low142 Ų142111.7 Ų111.774%0.74354%0.541SS*.THydrogen-bonded Turntrans-67.6-15.3174.6-76.5163.8000113.9A508 C510A508-L512 WeakPolarHBondContact O-CG 3.29Å; A508-L512 PolarHBondContact O-N 3.16Å; C510-L512 VanDerWaalsContact C-N 3.32Å; C510-L512 PolarHBondContact O-N 3.27Å
513K51.6Low57Low187 Ų187110.3 Ų110.381%0.81354%0.536SS*.THydrogen-bonded Turntrans-91.7-16.4-178.9-136.6-178.8-177.4-173.40113.1C510 Y511C510-K513 WeakPolarHBondContact O-CB 3.27Å; C510-K513 PolarHBondContact O-N 2.97Å; Y511-K513 PolarHBondContact O-N 3.45Å
514D48Very low56.6Low100 Ų100113.7 Ų113.754%0.53555%0.554SS.*  trans-107.417-175.3-75.1-26.9000113.2Y511 Y516Y511-D514 PolarHBondContact O-N 2.91Å; D514-Y516 PolarHBondContact O-N 3.3Å
515D41.6Very low56.5Low134 Ų134111.2 Ų111.272%0.71755%0.546SS*.  trans-79.457.4-174-155.323000113.9
516Y41.2Very low56.5Low202 Ų202108.5 Ų108.579%0.79254%0.541SS*.SBendtrans-147.494.3156.9-144.1-99.9000109.7D514D514-Y516 PolarHBondContact O-N 3.3Å
517Q40.9Very low56.7Low121 Ų121104.3 Ų104.357%0.56553%0.528SS*.  trans72.677171.7-54.6-174.1-1.300117.9K519Q517-K519 PolarHBondContact O-N 2.94Å
518L45.5Very low56.7Low113 Ų113104 Ų10459%0.59253%0.526SS*.  trans-71.690.6157.7-99.7149.4000110.1Y511Y511-L518 HydrophobicContact CE2-CD1 3.9Å
519K40.2Very low57.2Low146 Ų146102.6 Ų102.664%0.63551%0.512SS*.  trans-77.8151.9167.7-73.4178.1-179.4172.10110.8Q517 G521Q517-K519 PolarHBondContact O-N 2.94Å; K519-G521 PolarHBondContact O-N 2.93Å
520E39.8Very low57.8Low152 Ų15298.8 Ų98.871%0.7149%0.488SS*.THydrogen-bonded Turntrans-54119.9175.1-70178.4147.700110.8
521G48.6Very low58.6Low50 Ų50100.1 Ų100.152%0.51549%0.486SS..THydrogen-bonded Turntrans117.7-3.8175.200000117.2K519K519-G521 PolarHBondContact O-N 2.93Å
522Q51.6Low59.6Low131 Ų13194.1 Ų94.161%0.61246%0.464SS*.PPolyproline II helixtrans-87.7137.7-177.4-154.6164.5-10.300113.1
523E56.1Low61.1Low100 Ų10087.5 Ų87.547%0.46743%0.429SS..PPolyproline II helixtrans-67.4137.2-179-70.9-168.8-178.400112.1K67 K529K67-E523 IonicContact NZ-OE1 3.3Å; E523-K529 IonicContact OE2-NZ 2.79Å; E523-K529 PolarHBondContact OE2-NZ 2.98Å
524L64.9Low62.7Low79 Ų7979 Ų7941%0.41439%0.393SS..PPolyproline II helixtrans-58.1146.1172.5-73.7121000111.6C528 K529L524-C528 HydrophobicContact CB-CB 4.45Å; L524-C528 HydrophobicContact CD2-CB 3.87Å; L524-K529 HydrophobicContact CB-CG 3.81Å; L524-K529 WeakPolarHBondContact O-CD 3.41Å; L524-K529 WeakPolarHBondContact O-CE 3.49Å; L524-K529 WeakPolarHBondContact O-CG 3.38Å
525C73.8Confident64.4Low34 Ų3476.2 Ų76.223%0.2338%0.379CS..PPolyproline II helixtrans-59.7152.3170.569.50000111.6C510 G527 C528 K529C510-C525 HydrophobicContact CB-CB 4.06Å; C510-C525 WeakPolarHBondContact CB-SG 3.38Å; C525-G527 VanDerWaalsContact C-N 3.26Å; C525-G527 PolarHBondContact O-N 3.42Å; C525-C528 PolarHBondContact O-N 3.16Å; C525-C528 VanDerWaalsContact SG-CB 3.52Å; C525-C528 PolarHBondContact SG-SG 3.48Å; C525-K529 PolarHBondContact O-N 3.43Å
526E71.6Confident66.6Low136 Ų13670.1 Ų70.164%0.63635%0.347SS*.Hα-helixtrans-56.5-37.7-174.9-71.6-147.5145.600113.6C528 K529 L530E526-C528 VanDerWaalsContact C-N 3.34Å; E526-C528 PolarHBondContact O-N 3.01Å; E526-K529 PolarHBondContact O-N 3.25Å; E526-L530 WeakPolarHBondContact O-CB 3.29Å; E526-L530 PolarHBondContact O-N 3.48Å
527G76.3Confident68.8Low19 Ų1962.5 Ų62.520%0.19632%0.317CS..Hα-helixtrans-63.7-37.4176.600000113.2C525 R531C525-G527 VanDerWaalsContact C-N 3.26Å; C525-G527 PolarHBondContact O-N 3.42Å; G527-R531 WeakPolarHBondContact O-CB 2.84Å; G527-R531 PolarHBondContact O-N 2.82Å; G527-R531 VanDerWaalsContact O-N 3.15Å
528C77.1Confident70.9Confident6 Ų659.7 Ų59.74%0.04130%0.303CS..Hα-helixtrans-79.3-32.9176-65.80000112.6C507 L524 C525 E526 R531 D532C507-C528 WeakPolarHBondContact CA-SG 2.97Å; C507-C528 HydrophobicContact CB-CB 4.1Å; C507-C528 WeakPolarHBondContact CB-SG 3.37Å; C507-C528 VanDerWaalsContact SG-CA 3.57Å; C507-C528 WeakPolarHBondContact SG-CB 3.47Å; C507-C528 CovalentContact SG-SG 2.04Å; C507-C528 PolarHBondContact SG-SG 3.44Å; L524-C528 HydrophobicContact CB-CB 4.45Å; L524-C528 HydrophobicContact CD2-CB 3.87Å; C525-C528 PolarHBondContact O-N 3.16Å; C525-C528 VanDerWaalsContact SG-CB 3.52Å; C525-C528 PolarHBondContact SG-SG 3.48Å; E526-C528 VanDerWaalsContact C-N 3.34Å; E526-C528 PolarHBondContact O-N 3.01Å; C528-R531 PolarHBondContact O-N 3.36Å; C528-D532 WeakPolarHBondContact O-CB 3.29Å; C528-D532 PolarHBondContact O-N 2.99Å
529K78.6Confident72.9Confident17 Ų1755.4 Ų55.47%0.07428%0.281CS..Hα-helixtrans-58.8-52.2169.9-73.7175170.5167.20110.6Y35 I71 E523 L524 C525 E526 R531 D532 W533Y35-K529 HydrophobicContact CE2-CD 4.26Å; I71-K529 HydrophobicContact CD1-CB 4.38Å; E523-K529 IonicContact OE2-NZ 2.79Å; E523-K529 PolarHBondContact OE2-NZ 2.98Å; L524-K529 HydrophobicContact CB-CG 3.81Å; L524-K529 WeakPolarHBondContact O-CD 3.41Å; L524-K529 WeakPolarHBondContact O-CE 3.49Å; L524-K529 WeakPolarHBondContact O-CG 3.38Å; C525-K529 PolarHBondContact O-N 3.43Å; E526-K529 PolarHBondContact O-N 3.25Å; K529-R531 VanDerWaalsContact C-N 3.33Å; K529-R531 PolarHBondContact O-N 2.99Å; K529-D532 WeakPolarHBondContact O-CB 3.13Å; K529-D532 PolarHBondContact O-N 3.41Å; K529-W533 PolarHBondContact O-N 3.49Å
530L82.8Confident75.1Confident17 Ų1750.8 Ų50.89%0.08927%0.265CS..Hα-helixtrans-60.2-42178.517862.2000111.9I71 Y73 F78 L503 E526 D532 H534I71-L530 HydrophobicContact CG2-CB 4.41Å; I71-L530 HydrophobicContact CG2-CD1 3.97Å; I71-L530 HydrophobicContact CG2-CD2 4.46Å; Y73-L530 HydrophobicContact CD1-CD1 4.29Å; Y73-L530 HydrophobicContact CD1-CD2 4.34Å; Y73-L530 HydrophobicContact CD2-CD2 3.72Å; Y73-L530 HydrophobicContact CE2-CD2 4.41Å; Y73-L530 HydrophobicContact CG-CD1 4.05Å; Y73-L530 HydrophobicContact CG-CD2 3.71Å; Y73-L530 HydrophobicContact CG-CG 4.33Å; F78-L530 HydrophobicContact CD2-CD1 4.16Å; F78-L530 HydrophobicContact CE2-CD1 4.26Å; L503-L530 HydrophobicContact CD2-CG 4.11Å; E526-L530 WeakPolarHBondContact O-CB 3.29Å; E526-L530 PolarHBondContact O-N 3.48Å; L530-D532 VanDerWaalsContact C-N 3.28Å; L530-D532 PolarHBondContact O-N 2.98Å; L530-H534 WeakPolarHBondContact O-CB 3.3Å; L530-H534 PolarHBondContact O-N 3.11Å
531R82.8Confident77.3Confident71 Ų7147.8 Ų47.827%0.26825%0.254SS..Hα-helixtrans-58.2-42.9174.3179.8-175.9171.7-142.7-1.5111.5L503 G527 C528 K529 T535L503-R531 HydrophobicContact CB-CB 4.31Å; L503-R531 HydrophobicContact CB-CG 4.35Å; L503-R531 HydrophobicContact CD2-CB 4.17Å; G527-R531 WeakPolarHBondContact O-CB 2.84Å; G527-R531 PolarHBondContact O-N 2.82Å; G527-R531 VanDerWaalsContact O-N 3.15Å; C528-R531 PolarHBondContact O-N 3.36Å; K529-R531 VanDerWaalsContact C-N 3.33Å; K529-R531 PolarHBondContact O-N 2.99Å; R531-T535 VanDerWaalsContact O-CB 3.31Å; R531-T535 WeakPolarHBondContact O-CB 3.38Å; R531-T535 PolarHBondContact O-N 2.94Å; R531-T535 PolarHBondContact O-OG1 2.84Å
532D82.4Confident79Confident20 Ų2046.7 Ų46.711%0.10724%0.237CC..Hα-helixtrans-67.2-49.3-178.5-165.839.5000112.2K152 C528 K529 L530 H534 T535 N536K152-D532 WeakPolarHBondContact CE-OD1 3.35Å; K152-D532 IonicContact NZ-OD1 3.42Å; K152-D532 PolarHBondContact NZ-OD1 2.92Å; C528-D532 WeakPolarHBondContact O-CB 3.29Å; C528-D532 PolarHBondContact O-N 2.99Å; K529-D532 WeakPolarHBondContact O-CB 3.13Å; K529-D532 PolarHBondContact O-N 3.41Å; L530-D532 VanDerWaalsContact C-N 3.28Å; L530-D532 PolarHBondContact O-N 2.98Å; D532-H534 VanDerWaalsContact C-N 3.33Å; D532-H534 PolarHBondContact O-N 3.29Å; D532-T535 PolarHBondContact O-N 3.07Å; D532-N536 PolarHBondContact O-N 3.21Å; D532-N536 PolarHBondContact O-ND2 3.08Å; D532-N536 PolarHBondContact OD1-ND2 2.99Å
533W86.9Confident80.4Confident2 Ų243.3 Ų43.31%0.00822%0.223CC..Hα-helixtrans-59.9-43.6176.5-64-2.4000111.9Y35 V38 I71 F78 K529 N536 Y537Y35-W533 HydrophobicContact CD1-CZ2 4.37Å; Y35-W533 AromaticContact CD2-CZ2 3.51Å; Y35-W533 HydrophobicContact CD2-CZ2 3.51Å; Y35-W533 AromaticContact CD2-NE1 3.97Å; Y35-W533 HydrophobicContact CE1-CZ2 4.35Å; Y35-W533 HydrophobicContact CE2-CH2 4.36Å; Y35-W533 AromaticContact CE2-CZ2 3.48Å; Y35-W533 HydrophobicContact CE2-CZ2 3.48Å; Y35-W533 VanDerWaalsContact CE2-CZ2 3.48Å; Y35-W533 AromaticContact CG-CZ2 3.96Å; Y35-W533 HydrophobicContact CG-CZ2 3.96Å; Y35-W533 AromaticContact CZ-CZ2 3.91Å; V38-W533 HydrophobicContact CG2-CD2 4.38Å; V38-W533 HydrophobicContact CG2-CG 4.33Å; I71-W533 HydrophobicContact CB-CE3 4.46Å; I71-W533 HydrophobicContact CB-CZ3 3.86Å; I71-W533 HydrophobicContact CD1-CE3 4.01Å; I71-W533 HydrophobicContact CD1-CH2 3.73Å; I71-W533 HydrophobicContact CD1-CZ3 3.44Å; I71-W533 VanDerWaalsContact CD1-CZ3 3.44Å; I71-W533 HydrophobicContact CG1-CE3 4.46Å; I71-W533 HydrophobicContact CG1-CH2 4.04Å; I71-W533 HydrophobicContact CG1-CZ3 3.6Å; F78-W533 HydrophobicContact CB-CD2 4.5Å; F78-W533 HydrophobicContact CB-CE3 3.35Å; F78-W533 HydrophobicContact CB-CZ3 3.57Å; F78-W533 HydrophobicContact CD1-CB 4.18Å; F78-W533 HydrophobicContact CD1-CE3 4.4Å; F78-W533 HydrophobicContact CG-CE3 4.05Å; K529-W533 PolarHBondContact O-N 3.49Å; W533-N536 PolarHBondContact O-N 3.15Å; W533-Y537 VanDerWaalsContact O-CB 3.28Å; W533-Y537 WeakPolarHBondContact O-CB 3.3Å; W533-Y537 PolarHBondContact O-N 3.3Å
534H86.8Confident81.3Confident9 Ų941.1 Ų41.14%0.04222%0.219CC..Hα-helixtrans-66.2-39.6177.9-166.2-76.2000112.2Y73 R499 L503 L530 D532 N536 Y537 E538Y73-H534 AromaticContact CD1-CD2 3.84Å; Y73-H534 AromaticContact CE1-CD2 3.83Å; Y73-H534 AromaticContact CE1-NE2 3.91Å; R499-H534 PolarHBondContact NE-NE2 2.91Å; R499-H534 PolarHBondContact NH2-NE2 2.91Å; R499-H534 VanDerWaalsContact NH2-NE2 3.1Å; L503-H534 HydrophobicContact CD2-CB 4.04Å; L530-H534 WeakPolarHBondContact O-CB 3.3Å; L530-H534 PolarHBondContact O-N 3.11Å; D532-H534 VanDerWaalsContact C-N 3.33Å; D532-H534 PolarHBondContact O-N 3.29Å; H534-N536 VanDerWaalsContact C-N 3.32Å; H534-N536 PolarHBondContact O-N 3.37Å; H534-Y537 PolarHBondContact O-N 3.19Å; H534-E538 IonicContact CE1-OE1 2.87Å; H534-E538 PolarHBondContact CE1-OE1 3.33Å; H534-E538 IonicContact ND1-OE1 2.63Å; H534-E538 PolarHBondContact ND1-OE1 3.48Å; H534-E538 WeakPolarHBondContact O-CG 2.96Å; H534-E538 PolarHBondContact O-N 3.03Å
535T82.8Confident82.1Confident42 Ų4238.9 Ų38.926%0.25821%0.206SC..Hα-helixtrans-64.1-40.2178.1-57.90000110.9R531 D532R531-T535 VanDerWaalsContact O-CB 3.31Å; R531-T535 WeakPolarHBondContact O-CB 3.38Å; R531-T535 PolarHBondContact O-N 2.94Å; R531-T535 PolarHBondContact O-OG1 2.84Å; D532-T535 PolarHBondContact O-N 3.07Å
536N88.1Confident82.7Confident6 Ų638 Ų383%0.03220%0.2CC..Hα-helixtrans-71.4-37175.1-76.3-96.4000112F147 L149 H150 D532 W533 H534 E538 L539 R595F147-N536 HydrophobicContact CD2-CB 4.04Å; F147-N536 HydrophobicContact CE2-CB 3.6Å; F147-N536 HydrophobicContact CZ-CB 4.42Å; L149-N536 HydrophobicContact CD2-CB 4.03Å; H150-N536 PolarHBondContact CD2-OD1 3.16Å; H150-N536 PolarHBondContact N-OD1 3.48Å; D532-N536 PolarHBondContact O-N 3.21Å; D532-N536 PolarHBondContact O-ND2 3.08Å; D532-N536 PolarHBondContact OD1-ND2 2.99Å; W533-N536 PolarHBondContact O-N 3.15Å; H534-N536 VanDerWaalsContact C-N 3.32Å; H534-N536 PolarHBondContact O-N 3.37Å; N536-E538 VanDerWaalsContact C-N 3.3Å; N536-E538 PolarHBondContact O-N 3.29Å; N536-L539 WeakPolarHBondContact O-CB 3.32Å; N536-L539 PolarHBondContact O-N 3.31Å; N536-L539 VanDerWaalsContact O-N 3.12Å; N536-R595 WeakPolarHBondContact O-CG 3.49Å
537Y88.1Confident83.6Confident42 Ų4232.4 Ų32.417%0.16518%0.175CC..Hα-helixtrans-61.1-37.2175.7173.2-107.8000112.5V40 L76 F78 E144 T145 F147 W533 H534 L539 R595V40-Y537 HydrophobicContact CB-CD2 4.43Å; V40-Y537 HydrophobicContact CB-CE2 4.33Å; V40-Y537 HydrophobicContact CG1-CD2 4.3Å; V40-Y537 HydrophobicContact CG1-CE2 3.95Å; V40-Y537 HydrophobicContact CG2-CD2 3.95Å; V40-Y537 HydrophobicContact CG2-CE2 4.35Å; L76-Y537 HydrophobicContact CD1-CE1 3.75Å; F78-Y537 HydrophobicContact CE1-CG 4.16Å; F78-Y537 HydrophobicContact CZ-CD1 4.47Å; F78-Y537 HydrophobicContact CZ-CG 4.49Å; E144-Y537 PolarHBondContact OE1-OH 2.98Å; E144-Y537 VanDerWaalsContact OE1-OH 3.12Å; T145-Y537 HydrophobicContact CG2-CD2 3.7Å; T145-Y537 HydrophobicContact CG2-CE2 3.58Å; F147-Y537 HydrophobicContact CE1-CD2 4.07Å; W533-Y537 VanDerWaalsContact O-CB 3.28Å; W533-Y537 WeakPolarHBondContact O-CB 3.3Å; W533-Y537 PolarHBondContact O-N 3.3Å; H534-Y537 PolarHBondContact O-N 3.19Å; Y537-L539 PolarHBondContact O-N 2.9Å; Y537-R595 PolarHBondContact O-NH2 2.83Å
538E85.2Confident84.3Confident61 Ų6131.8 Ų31.829%0.28517%0.167SC..THydrogen-bonded Turntrans-69.4-14.5175.9-75.3177.8-169.600114.4K496 H534 N536K496-E538 WeakPolarHBondContact CE-OE2 3.3Å; K496-E538 IonicContact NZ-OE2 3.41Å; K496-E538 PolarHBondContact NZ-OE2 3.38Å; H534-E538 IonicContact CE1-OE1 2.87Å; H534-E538 PolarHBondContact CE1-OE1 3.33Å; H534-E538 IonicContact ND1-OE1 2.63Å; H534-E538 PolarHBondContact ND1-OE1 3.48Å; H534-E538 WeakPolarHBondContact O-CG 2.96Å; H534-E538 PolarHBondContact O-N 3.03Å; N536-E538 VanDerWaalsContact C-N 3.3Å; N536-E538 PolarHBondContact O-N 3.29Å
539L87.6Confident84.8Confident24 Ų2434.4 Ų34.413%0.12618%0.18CC..SBendtrans-71.2156.8178.3-60.7171.4000110.8N536 Y537 D541 E594 R595N536-L539 WeakPolarHBondContact O-CB 3.32Å; N536-L539 PolarHBondContact O-N 3.31Å; N536-L539 VanDerWaalsContact O-N 3.12Å; Y537-L539 PolarHBondContact O-N 2.9Å; L539-D541 PolarHBondContact O-N 2.97Å; L539-E594 WeakPolarHBondContact CD1-O 3.44Å; L539-R595 HydrophobicContact CB-CG 3.79Å; L539-R595 PolarHBondContact O-NE 3.4Å
540T85.7Confident85.4Confident49 Ų4934.4 Ų34.430%0.30118%0.181SC..BIsolated β-bridgetrans-61.2135.3178.4-51.90000109.9L593 R595T540-L593 PolarHBondContact N-O 3.37Å; T540-L593 PolarHBondContact OG1-O 3.12Å; T540-R595 WeakPolarHBondContact O-CG 3.33Å; T540-R595 PolarHBondContact O-N 3.48Å
541D85.4Confident85.9Confident89 Ų8933.7 Ų33.748%0.47618%0.177SC..PPolyproline II helixtrans-69.5143.9179.6-164.842.4000111.5L539 R595L539-D541 PolarHBondContact O-N 2.97Å; D541-R595 VanDerWaalsContact CG-NH1 3.29Å; D541-R595 IonicContact OD1-CZ 3.09Å; D541-R595 IonicContact OD1-NH1 2.94Å; D541-R595 PolarHBondContact OD1-NH1 3.21Å
542V85.3Confident86.3Confident27 Ų2730.9 Ų30.916%0.16417%0.167CC..  trans-118.6126.2-180177.80000108.3E594 R595 M597V542-E594 HydrophobicContact CG2-CB 3.66Å; V542-E594 HydrophobicContact CG2-CG 4.16Å; V542-R595 HydrophobicContact CG2-CB 4.43Å; V542-R595 VanDerWaalsContact CG2-O 3.26Å; V542-R595 WeakPolarHBondContact CG2-O 3.16Å; V542-M597 HydrophobicContact CG1-CG 3.42Å; V542-M597 VanDerWaalsContact CG1-CG 3.42Å; V542-M597 HydrophobicContact CG1-SD 4.34Å
543D81.4Confident86.7Confident59 Ų5931.1 Ų31.132%0.31617%0.167SC..  trans-97.2171.4175.173.60.9000111.8R389 F545 S546R389-D543 IonicContact CZ-OD2 3.42Å; R389-D543 IonicContact NH1-OD2 3.76Å; R389-D543 IonicContact NH2-OD2 2.73Å; R389-D543 PolarHBondContact NH2-OD2 3.48Å; D543-F545 PolarHBondContact O-N 2.87Å; D543-F545 VanDerWaalsContact O-N 3.08Å; D543-F545 VanDerWaalsContact OD1-C 3.25Å; D543-F545 WeakPolarHBondContact OD1-CA 3.24Å; D543-F545 PolarHBondContact OD1-N 3.4Å; D543-S546 PolarHBondContact N-OG 3.03Å; D543-S546 PolarHBondContact O-N 3.2Å; D543-S546 PolarHBondContact O-OG 3.45Å; D543-S546 PolarHBondContact OD1-N 3.42Å; D543-S546 PolarHBondContact OD1-OG 3.39Å
544S74.1Confident86.9Confident54 Ų5431 Ų3138%0.37817%0.167SC..THydrogen-bonded Turntrans-64.6-10.9176.455.30000113.8
545F81.8Confident87.3Confident32 Ų3230.6 Ų30.614%0.1417%0.165CC..THydrogen-bonded Turntrans-106.11.3-177.1-62.4-76.2000112.8L393 F411 D543 F548 N549L393-F545 HydrophobicContact CD2-CE2 4.39Å; L393-F545 HydrophobicContact CD2-CZ 3.99Å; F411-F545 AromaticContact CD1-CD1 3.88Å; F411-F545 HydrophobicContact CD1-CD1 3.88Å; F411-F545 AromaticContact CD1-CE1 3.53Å; F411-F545 HydrophobicContact CD1-CE1 3.53Å; F411-F545 AromaticContact CE1-CD1 3.55Å; F411-F545 HydrophobicContact CE1-CD1 3.55Å; F411-F545 AromaticContact CE1-CE1 3.61Å; F411-F545 HydrophobicContact CE1-CE1 3.61Å; F411-F545 HydrophobicContact CG-CE1 4.03Å; F411-F545 HydrophobicContact CZ-CD1 4.2Å; F411-F545 HydrophobicContact CZ-CE1 4.16Å; D543-F545 PolarHBondContact O-N 2.87Å; D543-F545 VanDerWaalsContact O-N 3.08Å; D543-F545 VanDerWaalsContact OD1-C 3.25Å; D543-F545 WeakPolarHBondContact OD1-CA 3.24Å; D543-F545 PolarHBondContact OD1-N 3.4Å; F545-F548 WeakPolarHBondContact O-CB 3.22Å; F545-F548 PolarHBondContact O-N 3.1Å; F545-F548 VanDerWaalsContact O-N 3.15Å; F545-N549 PolarHBondContact O-N 2.81Å; F545-N549 PolarHBondContact O-ND2 2.83Å; F545-N549 VanDerWaalsContact O-ND2 3.15Å
546S86.6Confident87.7Confident16 Ų1628.7 Ų28.711%0.11215%0.153CC..Hα-helixtrans-63.2-52.6-176.5-58.40000109.8D543 F548 N549 E550D543-S546 PolarHBondContact N-OG 3.03Å; D543-S546 PolarHBondContact O-N 3.2Å; D543-S546 PolarHBondContact O-OG 3.45Å; D543-S546 PolarHBondContact OD1-N 3.42Å; D543-S546 PolarHBondContact OD1-OG 3.39Å; S546-F548 VanDerWaalsContact C-N 3.25Å; S546-F548 PolarHBondContact O-N 3.34Å; S546-N549 WeakPolarHBondContact O-CB 3.3Å; S546-N549 PolarHBondContact O-N 3.39Å; S546-E550 PolarHBondContact O-N 3.36Å
547L89.8Confident87.9Confident18 Ų1828.8 Ų28.89%0.09415%0.154CC..Hα-helixtrans-59.7-32.6173-172.566000113.5K184 V185 Y188 N549 E550 F551 M590 M597K184-L547 HydrophobicContact CB-CD2 4.38Å; K184-L547 HydrophobicContact CD-CD2 4.09Å; K184-L547 HydrophobicContact CG-CD2 3.72Å; V185-L547 HydrophobicContact CG2-CD1 4.42Å; V185-L547 HydrophobicContact CG2-CD2 4.02Å; Y188-L547 HydrophobicContact CD1-CD1 4.18Å; Y188-L547 HydrophobicContact CD2-CD1 4.48Å; Y188-L547 HydrophobicContact CG-CD1 3.95Å; L547-N549 VanDerWaalsContact C-N 3.32Å; L547-N549 PolarHBondContact O-N 3.2Å; L547-E550 PolarHBondContact O-N 2.88Å; L547-F551 HydrophobicContact CD1-CD2 4.42Å; L547-F551 HydrophobicContact CD1-CE2 4.25Å; L547-F551 HydrophobicContact CD2-CE2 4.17Å; L547-F551 HydrophobicContact CG-CD2 4.01Å; L547-F551 HydrophobicContact CG-CE2 3.94Å; L547-F551 WeakPolarHBondContact O-CD2 3.3Å; L547-F551 PolarHBondContact O-N 3.47Å; L547-F551 VanDerWaalsContact O-N 3.1Å; L547-M590 HydrophobicContact CD1-CE 4.41Å; L547-M597 HydrophobicContact CB-SD 4.33Å
548F90.4Very high88.1Confident6 Ų626.8 Ų26.83%0.02615%0.146CC..Hα-helixtrans-63.1-39.5175.4161.3-86.3000111.4F411 T412 M415 F545 S546 E550 F551 L552 W608F411-F548 HydrophobicContact CD1-CE2 4.39Å; F411-F548 HydrophobicContact CD1-CZ 4.44Å; F411-F548 AromaticContact CE1-CD1 3.92Å; F411-F548 HydrophobicContact CE1-CD1 3.92Å; F411-F548 HydrophobicContact CE1-CD2 4.4Å; F411-F548 AromaticContact CE1-CE1 3.7Å; F411-F548 HydrophobicContact CE1-CE1 3.7Å; F411-F548 HydrophobicContact CE1-CE2 4.22Å; F411-F548 HydrophobicContact CE1-CG 4.29Å; F411-F548 AromaticContact CE1-CZ 3.88Å; F411-F548 HydrophobicContact CE1-CZ 3.88Å; F411-F548 HydrophobicContact CZ-CE1 4.38Å; T412-F548 HydrophobicContact CG2-CD2 4.29Å; T412-F548 HydrophobicContact CG2-CE2 3.9Å; M415-F548 HydrophobicContact CB-CE1 4.37Å; M415-F548 HydrophobicContact CB-CZ 3.72Å; M415-F548 HydrophobicContact CG-CE1 3.76Å; M415-F548 HydrophobicContact CG-CZ 3.5Å; M415-F548 VanDerWaalsContact CG-CZ 3.5Å; F545-F548 WeakPolarHBondContact O-CB 3.22Å; F545-F548 PolarHBondContact O-N 3.1Å; F545-F548 VanDerWaalsContact O-N 3.15Å; S546-F548 VanDerWaalsContact C-N 3.25Å; S546-F548 PolarHBondContact O-N 3.34Å; F548-E550 VanDerWaalsContact C-N 3.33Å; F548-F551 PolarHBondContact O-N 3.16Å; F548-L552 HydrophobicContact CE1-CB 4.32Å; F548-L552 HydrophobicContact CE1-CD2 3.92Å; F548-L552 HydrophobicContact CZ-CB 4.25Å; F548-L552 HydrophobicContact CZ-CD2 4.01Å; F548-L552 HydrophobicContact CZ-CG 4.49Å; F548-L552 WeakPolarHBondContact O-CB 3.48Å; F548-L552 PolarHBondContact O-N 2.93Å; F548-W608 HydrophobicContact CD2-CH2 4.11Å; F548-W608 AromaticContact CD2-CZ2 3.47Å; F548-W608 HydrophobicContact CD2-CZ2 3.47Å; F548-W608 VanDerWaalsContact CD2-CZ2 3.47Å; F548-W608 AromaticContact CE2-CH2 3.62Å; F548-W608 HydrophobicContact CE2-CH2 3.62Å; F548-W608 AromaticContact CE2-CZ2 3.47Å; F548-W608 HydrophobicContact CE2-CZ2 3.47Å; F548-W608 VanDerWaalsContact CE2-CZ2 3.47Å; F548-W608 HydrophobicContact CG-CZ2 4.41Å; F548-W608 HydrophobicContact CZ-CH2 4.27Å; F548-W608 HydrophobicContact CZ-CZ2 4.42Å
549N88.8Confident88.6Confident62 Ų6223.9 Ų23.933%0.33213%0.132SC..Hα-helixtrans-65.8-38.9177.9-60.8-42.9000111.1F545 S546 L547 L552 E553F545-N549 PolarHBondContact O-N 2.81Å; F545-N549 PolarHBondContact O-ND2 2.83Å; F545-N549 VanDerWaalsContact O-ND2 3.15Å; S546-N549 WeakPolarHBondContact O-CB 3.3Å; S546-N549 PolarHBondContact O-N 3.39Å; L547-N549 VanDerWaalsContact C-N 3.32Å; L547-N549 PolarHBondContact O-N 3.2Å; N549-L552 PolarHBondContact O-N 3.21Å; N549-E553 PolarHBondContact O-N 3.4Å
550E91.3Very high88.7Confident16 Ų1623.1 Ų23.18%0.07513%0.128CC..Hα-helixtrans-60.6-48.7175.7-46.2-52.3163.500111Y188 S546 L547 F548 L552 E553 M554 K589 M590Y188-E550 HydrophobicContact CE1-CB 4.29Å; Y188-E550 HydrophobicContact CE2-CB 3.87Å; S546-E550 PolarHBondContact O-N 3.36Å; L547-E550 PolarHBondContact O-N 2.88Å; F548-E550 VanDerWaalsContact C-N 3.33Å; E550-L552 PolarHBondContact O-N 2.78Å; E550-E553 PolarHBondContact O-N 2.82Å; E550-M554 WeakPolarHBondContact O-CG 2.97Å; E550-M554 PolarHBondContact O-N 2.97Å; E550-M554 VanDerWaalsContact O-N 3.16Å; E550-K589 WeakPolarHBondContact OE1-CE 3.25Å; E550-K589 IonicContact OE1-NZ 2.72Å; E550-K589 PolarHBondContact OE1-NZ 2.92Å; E550-K589 IonicContact OE2-NZ 3.72Å; E550-K589 PolarHBondContact OE2-NZ 3.4Å; E550-M590 HydrophobicContact CG-CE 4.02Å
551F93Very high89Confident2 Ų220.8 Ų20.81%0.00911%0.114CC..Hα-helixtrans-60.6-44.4174-86.4-73.7000112.4Y188 L547 F548 E553 M554 V555 I605 W608Y188-F551 AromaticContact CD2-CD1 3.84Å; Y188-F551 HydrophobicContact CD2-CD1 3.84Å; Y188-F551 AromaticContact CD2-CD2 3.93Å; Y188-F551 HydrophobicContact CD2-CD2 3.93Å; Y188-F551 AromaticContact CD2-CE1 3.73Å; Y188-F551 HydrophobicContact CD2-CE1 3.73Å; Y188-F551 AromaticContact CD2-CE2 3.82Å; Y188-F551 HydrophobicContact CD2-CE2 3.82Å; Y188-F551 AromaticContact CD2-CG 3.93Å; Y188-F551 HydrophobicContact CD2-CG 3.93Å; Y188-F551 AromaticContact CD2-CZ 3.73Å; Y188-F551 HydrophobicContact CD2-CZ 3.73Å; Y188-F551 HydrophobicContact CE2-CD1 4.44Å; Y188-F551 HydrophobicContact CE2-CG 4.44Å; Y188-F551 HydrophobicContact CG-CE2 4.17Å; Y188-F551 HydrophobicContact CG-CZ 4.12Å; L547-F551 HydrophobicContact CD1-CD2 4.42Å; L547-F551 HydrophobicContact CD1-CE2 4.25Å; L547-F551 HydrophobicContact CD2-CE2 4.17Å; L547-F551 HydrophobicContact CG-CD2 4.01Å; L547-F551 HydrophobicContact CG-CE2 3.94Å; L547-F551 WeakPolarHBondContact O-CD2 3.3Å; L547-F551 PolarHBondContact O-N 3.47Å; L547-F551 VanDerWaalsContact O-N 3.1Å; F548-F551 PolarHBondContact O-N 3.16Å; F551-E553 VanDerWaalsContact C-N 3.29Å; F551-E553 PolarHBondContact O-N 2.91Å; F551-M554 PolarHBondContact O-N 3.35Å; F551-V555 WeakPolarHBondContact O-CB 2.95Å; F551-V555 WeakPolarHBondContact O-CG2 3.14Å; F551-V555 PolarHBondContact O-N 3.28Å; F551-I605 HydrophobicContact CE1-CB 4.15Å; F551-I605 HydrophobicContact CE1-CG2 4.14Å; F551-I605 HydrophobicContact CZ-CB 4.21Å; F551-I605 HydrophobicContact CZ-CG2 4.1Å; F551-W608 HydrophobicContact CB-CD2 4.09Å; F551-W608 VanDerWaalsContact CB-CE2 3.41Å; F551-W608 HydrophobicContact CB-CG 4.47Å; F551-W608 HydrophobicContact CB-CH2 4.27Å; F551-W608 HydrophobicContact CB-CZ2 3.5Å; F551-W608 AromaticContact CD1-CD1 3.82Å; F551-W608 HydrophobicContact CD1-CG 4.2Å; F551-W608 AromaticContact CD2-NE1 3.83Å; F551-W608 AromaticContact CG-CD1 3.78Å; F551-W608 AromaticContact CG-CE2 4Å; F551-W608 HydrophobicContact CG-CG 4.41Å; F551-W608 AromaticContact CG-NE1 3.53Å
552L92.1Very high89.3Confident12 Ų1216.6 Ų16.66%0.0639%0.091CC..Hα-helixtrans-59.6-42.1-180179.964.3000111.1M415 F416 Q419 F548 N549 E550 I556 W608M415-L552 HydrophobicContact CE-CD2 4.21Å; M415-L552 HydrophobicContact CG-CD2 4.28Å; F416-L552 HydrophobicContact CB-CD1 4.37Å; F416-L552 HydrophobicContact CD2-CD1 4.07Å; Q419-L552 HydrophobicContact CB-CD1 4.45Å; Q419-L552 HydrophobicContact CG-CD1 4.5Å; Q419-L552 HydrophobicContact CG-CD2 4.42Å; F548-L552 HydrophobicContact CE1-CB 4.32Å; F548-L552 HydrophobicContact CE1-CD2 3.92Å; F548-L552 HydrophobicContact CZ-CB 4.25Å; F548-L552 HydrophobicContact CZ-CD2 4.01Å; F548-L552 HydrophobicContact CZ-CG 4.49Å; F548-L552 WeakPolarHBondContact O-CB 3.48Å; F548-L552 PolarHBondContact O-N 2.93Å; N549-L552 PolarHBondContact O-N 3.21Å; E550-L552 PolarHBondContact O-N 2.78Å; L552-I556 HydrophobicContact CD1-CG1 4.13Å; L552-I556 HydrophobicContact CG-CG1 4.49Å; L552-I556 WeakPolarHBondContact O-CB 3.38Å; L552-I556 WeakPolarHBondContact O-CG1 3.2Å; L552-I556 PolarHBondContact O-N 2.76Å; L552-W608 HydrophobicContact CB-CH2 3.85Å; L552-W608 HydrophobicContact CD1-CH2 4.04Å; L552-W608 HydrophobicContact CD1-CZ3 4.4Å
553E89Confident89.7Confident25 Ų2515.3 Ų15.312%0.1178%0.084CC..Hα-helixtrans-61.2-51177.9-174.6158.516800111.4Q477 N549 E550 F551 V555 I556 Q557Q477-E553 PolarHBondContact NE2-OE1 3.42Å; N549-E553 PolarHBondContact O-N 3.4Å; E550-E553 PolarHBondContact O-N 2.82Å; F551-E553 VanDerWaalsContact C-N 3.29Å; F551-E553 PolarHBondContact O-N 2.91Å; E553-V555 PolarHBondContact O-N 3.47Å; E553-I556 PolarHBondContact O-N 3.31Å; E553-Q557 PolarHBondContact O-N 3.03Å
554M91.7Very high90.2Very high0 Ų012.5 Ų12.50%07%0.069CC..Hα-helixtrans-67.8-36.7-178.4-60.3-56.5122.700113.2Y188 W191 L192 E550 F551 Q557 F558 E582Y188-M554 HydrophobicContact CE2-CG 4.16Å; W191-M554 HydrophobicContact CH2-CB 3.55Å; W191-M554 HydrophobicContact CZ3-CB 3.35Å; W191-M554 HydrophobicContact CZ3-CG 4.03Å; L192-M554 HydrophobicContact CD1-CG 3.94Å; L192-M554 HydrophobicContact CD1-SD 3.7Å; E550-M554 WeakPolarHBondContact O-CG 2.97Å; E550-M554 PolarHBondContact O-N 2.97Å; E550-M554 VanDerWaalsContact O-N 3.16Å; F551-M554 PolarHBondContact O-N 3.35Å; M554-Q557 WeakPolarHBondContact O-CB 3.27Å; M554-Q557 PolarHBondContact O-N 2.9Å; M554-F558 PolarHBondContact O-N 2.93Å; M554-E582 HydrophobicContact CE-CB 4.41Å; M554-E582 HydrophobicContact CE-CG 3.35Å; M554-E582 WeakPolarHBondContact CE-OE1 3.48Å; M554-E582 HydrophobicContact SD-CG 4.06Å
555V94.6Very high91Very high0 Ų010 Ų100%05%0.051CC..Hα-helixtrans-70.8-35.7178.2173.70000110.9W191 F416 F551 E553 F558 S559 W608 I611 L612W191-V555 HydrophobicContact CH2-CG2 4.33Å; F416-V555 HydrophobicContact CD2-CG1 4.23Å; F416-V555 HydrophobicContact CE2-CG1 3.76Å; F551-V555 WeakPolarHBondContact O-CB 2.95Å; F551-V555 WeakPolarHBondContact O-CG2 3.14Å; F551-V555 PolarHBondContact O-N 3.28Å; E553-V555 PolarHBondContact O-N 3.47Å; V555-F558 WeakPolarHBondContact O-CB 3.34Å; V555-F558 PolarHBondContact O-N 3Å; V555-S559 PolarHBondContact O-N 3.4Å; V555-S559 PolarHBondContact O-OG 3.48Å; V555-W608 HydrophobicContact CB-CE3 4.19Å; V555-W608 HydrophobicContact CB-CZ3 4.13Å; V555-W608 HydrophobicContact CG1-CE3 4.17Å; V555-W608 HydrophobicContact CG1-CZ3 4.21Å; V555-W608 HydrophobicContact CG2-CD2 4.34Å; V555-W608 HydrophobicContact CG2-CE3 3.73Å; V555-W608 HydrophobicContact CG2-CZ3 4.12Å; V555-I611 HydrophobicContact CG1-CG2 3.79Å; V555-L612 HydrophobicContact CG1-CD2 4.13Å; V555-L612 HydrophobicContact CG2-CD2 4.22Å
556I92Very high91.3Very high2 Ų28.6 Ų8.61%0.015%0.045CC..Hα-helixtrans-65.2-41.1171.8-71.3-67.8000110.8F416 Q419 Y423 F424 L552 E553 S559 F560F416-I556 HydrophobicContact CD2-CD1 4.35Å; F416-I556 HydrophobicContact CE2-CD1 4Å; Q419-I556 HydrophobicContact CG-CD1 4.18Å; Q419-I556 HydrophobicContact CG-CG1 4.31Å; Y423-I556 HydrophobicContact CD2-CD1 4.2Å; Y423-I556 HydrophobicContact CD2-CG1 4.44Å; Y423-I556 HydrophobicContact CD2-CG2 3.8Å; Y423-I556 HydrophobicContact CE2-CG2 3.91Å; Y423-I556 HydrophobicContact CG-CG2 4.41Å; F424-I556 HydrophobicContact CE2-CD1 4.39Å; L552-I556 HydrophobicContact CD1-CG1 4.13Å; L552-I556 HydrophobicContact CG-CG1 4.49Å; L552-I556 WeakPolarHBondContact O-CB 3.38Å; L552-I556 WeakPolarHBondContact O-CG1 3.2Å; L552-I556 PolarHBondContact O-N 2.76Å; E553-I556 PolarHBondContact O-N 3.31Å; I556-S559 WeakPolarHBondContact O-CB 3.25Å; I556-S559 PolarHBondContact O-N 3.01Å; I556-F560 HydrophobicContact CG2-CD2 3.86Å; I556-F560 HydrophobicContact CG2-CE2 3.48Å; I556-F560 VanDerWaalsContact CG2-CE2 3.48Å; I556-F560 WeakPolarHBondContact O-CD2 3.44Å; I556-F560 PolarHBondContact O-N 3.5Å
557Q91.9Very high91.4Very high9 Ų97.9 Ų7.94%0.0424%0.04CC..Hα-helixtrans-60.1-46.9172.8-173.6-173.1-58.100111.5E553 M554 S559 F560 T561 A575 N578 N579E553-Q557 PolarHBondContact O-N 3.03Å; M554-Q557 WeakPolarHBondContact O-CB 3.27Å; M554-Q557 PolarHBondContact O-N 2.9Å; Q557-S559 PolarHBondContact O-N 3.49Å; Q557-F560 PolarHBondContact O-N 2.99Å; Q557-F560 VanDerWaalsContact O-N 3.09Å; Q557-T561 WeakPolarHBondContact O-CG2 3.41Å; Q557-T561 PolarHBondContact O-N 2.85Å; Q557-T561 PolarHBondContact O-OG1 3.38Å; Q557-A575 HydrophobicContact CG-CB 4.26Å; Q557-A575 VanDerWaalsContact NE2-CA 3.33Å; Q557-A575 VanDerWaalsContact NE2-CB 3.27Å; Q557-A575 PolarHBondContact NE2-O 3.08Å; Q557-N578 PolarHBondContact OE1-ND2 3.47Å; Q557-N579 PolarHBondContact NE2-OD1 2.92Å
558F93.3Very high91.2Very high0 Ų07.2 Ų7.20%04%0.037CC..Hα-helixtrans-54.7-42174.1177.7-94.9000111.9Y195 W274 T275 F278 M554 V555 F560 T561 T562 L612 V615Y195-F558 HydrophobicContact CD2-CD2 4.21Å; Y195-F558 AromaticContact CE2-CD2 3.62Å; Y195-F558 HydrophobicContact CE2-CD2 3.62Å; Y195-F558 HydrophobicContact CE2-CE2 4.33Å; Y195-F558 AromaticContact CZ-CD2 3.94Å; Y195-F558 WeakPolarHBondContact OH-CA 3.34Å; W274-F558 HydrophobicContact CH2-CE2 4.48Å; W274-F558 HydrophobicContact CZ3-CE2 4.29Å; T275-F558 HydrophobicContact CG2-CZ 3.99Å; F278-F558 AromaticContact CD1-CE2 3.72Å; F278-F558 HydrophobicContact CD1-CE2 3.72Å; F278-F558 AromaticContact CD1-CZ 3.99Å; F278-F558 HydrophobicContact CD1-CZ 3.99Å; F278-F558 HydrophobicContact CE1-CD2 4.33Å; F278-F558 AromaticContact CE1-CE2 3.57Å; F278-F558 HydrophobicContact CE1-CE2 3.57Å; F278-F558 AromaticContact CE1-CZ 4Å; F278-F558 HydrophobicContact CE1-CZ 4Å; F278-F558 HydrophobicContact CZ-CE2 4.36Å; M554-F558 PolarHBondContact O-N 2.93Å; V555-F558 WeakPolarHBondContact O-CB 3.34Å; V555-F558 PolarHBondContact O-N 3Å; F558-F560 PolarHBondContact O-N 3.25Å; F558-T561 WeakPolarHBondContact CA-OG1 3.18Å; F558-T561 PolarHBondContact O-N 2.9Å; F558-T561 PolarHBondContact O-OG1 2.85Å; F558-T562 HydrophobicContact CD1-CG2 4.4Å; F558-T562 HydrophobicContact CD2-CG2 4.32Å; F558-T562 HydrophobicContact CE1-CG2 4.07Å; F558-T562 HydrophobicContact CE2-CG2 3.97Å; F558-T562 HydrophobicContact CZ-CG2 3.86Å; F558-T562 WeakPolarHBondContact O-CG2 3.29Å; F558-T562 PolarHBondContact O-N 3.41Å; F558-T562 VanDerWaalsContact O-N 3.11Å; F558-T562 PolarHBondContact O-OG1 3.47Å; F558-L612 HydrophobicContact CB-CD2 4.24Å; F558-L612 HydrophobicContact CD1-CD2 3.31Å; F558-L612 HydrophobicContact CD2-CD2 4.41Å; F558-L612 HydrophobicContact CE1-CD2 3.61Å; F558-L612 HydrophobicContact CG-CD2 3.74Å; F558-L612 HydrophobicContact CZ-CD2 4.27Å; F558-V615 HydrophobicContact CD1-CG1 3.96Å; F558-V615 HydrophobicContact CE1-CG1 3.98Å
559S94.1Very high91.2Very high0 Ų07 Ų70%04%0.036CC..Hα-helixtrans-62.5-42.3176.7-54.80000111.8F424 V555 I556 Q557 T561 T562 I563F424-S559 VanDerWaalsContact CZ-CB 3.5Å; V555-S559 PolarHBondContact O-N 3.4Å; V555-S559 PolarHBondContact O-OG 3.48Å; I556-S559 WeakPolarHBondContact O-CB 3.25Å; I556-S559 PolarHBondContact O-N 3.01Å; Q557-S559 PolarHBondContact O-N 3.49Å; S559-T561 PolarHBondContact O-N 3.47Å; S559-T562 PolarHBondContact O-N 3.34Å; S559-T562 PolarHBondContact O-OG1 3.34Å; S559-I563 VanDerWaalsContact O-CB 3.24Å; S559-I563 WeakPolarHBondContact O-CB 3.25Å; S559-I563 VanDerWaalsContact O-CG1 3.29Å; S559-I563 WeakPolarHBondContact O-CG1 3.15Å; S559-I563 PolarHBondContact O-N 3.05Å
560F90.7Very high91.2Very high8 Ų85.1 Ų5.14%0.0353%0.025CC..Hα-helixtrans-63.1-40.2174.3-77.9-67000112.6Y423 F424 L427 I472 I556 Q557 F558 T562Y423-F560 HydrophobicContact CD1-CE2 4.38Å; Y423-F560 HydrophobicContact CD1-CZ 4.04Å; Y423-F560 HydrophobicContact CG-CE2 4.39Å; Y423-F560 HydrophobicContact CG-CZ 4.12Å; F424-F560 HydrophobicContact CD1-CD1 4.26Å; F424-F560 AromaticContact CD1-CE1 3.98Å; F424-F560 HydrophobicContact CD1-CE1 3.98Å; F424-F560 AromaticContact CE1-CD1 3.34Å; F424-F560 HydrophobicContact CE1-CD1 3.34Å; F424-F560 HydrophobicContact CE1-CD2 4.47Å; F424-F560 AromaticContact CE1-CE1 3.43Å; F424-F560 HydrophobicContact CE1-CE1 3.43Å; F424-F560 VanDerWaalsContact CE1-CE1 3.43Å; F424-F560 AromaticContact CE1-CG 3.9Å; F424-F560 HydrophobicContact CE1-CG 3.9Å; F424-F560 HydrophobicContact CE1-CZ 4.07Å; F424-F560 AromaticContact CZ-CD1 3.75Å; F424-F560 HydrophobicContact CZ-CD1 3.75Å; F424-F560 HydrophobicContact CZ-CD2 4.04Å; F424-F560 AromaticContact CZ-CE1 3.85Å; F424-F560 HydrophobicContact CZ-CE1 3.85Å; F424-F560 HydrophobicContact CZ-CE2 4.15Å; F424-F560 AromaticContact CZ-CG 3.84Å; F424-F560 HydrophobicContact CZ-CG 3.84Å; F424-F560 HydrophobicContact CZ-CZ 4.05Å; L427-F560 HydrophobicContact CD1-CD1 4.12Å; L427-F560 HydrophobicContact CD1-CE1 3.6Å; I472-F560 HydrophobicContact CG2-CE1 4.33Å; I472-F560 HydrophobicContact CG2-CE2 4.24Å; I472-F560 HydrophobicContact CG2-CZ 3.73Å; I556-F560 HydrophobicContact CG2-CD2 3.86Å; I556-F560 HydrophobicContact CG2-CE2 3.48Å; I556-F560 VanDerWaalsContact CG2-CE2 3.48Å; I556-F560 WeakPolarHBondContact O-CD2 3.44Å; I556-F560 PolarHBondContact O-N 3.5Å; Q557-F560 PolarHBondContact O-N 2.99Å; Q557-F560 VanDerWaalsContact O-N 3.09Å; F558-F560 PolarHBondContact O-N 3.25Å; F560-T562 VanDerWaalsContact C-N 3.28Å; F560-T562 PolarHBondContact O-N 3.1Å
561T91.4Very high91.2Very high0 Ų04.3 Ų4.30%02%0.022CC..Hα-helixtrans-73.6-16.8-178.458.40000114.5Y195 Q557 F558 S559 V565 A575Y195-T561 PolarHBondContact OH-OG1 3.06Å; Q557-T561 WeakPolarHBondContact O-CG2 3.41Å; Q557-T561 PolarHBondContact O-N 2.85Å; Q557-T561 PolarHBondContact O-OG1 3.38Å; F558-T561 WeakPolarHBondContact CA-OG1 3.18Å; F558-T561 PolarHBondContact O-N 2.9Å; F558-T561 PolarHBondContact O-OG1 2.85Å; S559-T561 PolarHBondContact O-N 3.47Å; T561-V565 WeakPolarHBondContact O-CB 3.46Å; T561-A575 HydrophobicContact CG2-CB 3.36Å
562T92.9Very high91.3Very high1 Ų14.2 Ų4.21%0.0062%0.021CC..Hα-helixtrans-109.6-46.3-175.752.10000111.7W274 T275 F558 S559 F560 N623W274-T562 HydrophobicContact CZ3-CG2 4.44Å; T275-T562 HydrophobicContact CG2-CG2 4.28Å; T275-T562 WeakPolarHBondContact OG1-CG2 3.48Å; F558-T562 HydrophobicContact CD1-CG2 4.4Å; F558-T562 HydrophobicContact CD2-CG2 4.32Å; F558-T562 HydrophobicContact CE1-CG2 4.07Å; F558-T562 HydrophobicContact CE2-CG2 3.97Å; F558-T562 HydrophobicContact CZ-CG2 3.86Å; F558-T562 WeakPolarHBondContact O-CG2 3.29Å; F558-T562 PolarHBondContact O-N 3.41Å; F558-T562 VanDerWaalsContact O-N 3.11Å; F558-T562 PolarHBondContact O-OG1 3.47Å; S559-T562 PolarHBondContact O-N 3.34Å; S559-T562 PolarHBondContact O-OG1 3.34Å; F560-T562 VanDerWaalsContact C-N 3.28Å; F560-T562 PolarHBondContact O-N 3.1Å; T562-N623 PolarHBondContact O-ND2 3.38Å
563I93.4Very high91.3Very high0 Ų05.6 Ų5.60%03%0.029CC..Hα-helixtrans-70.5-39.2-171.6-64.9176.9000113F420 S559 V615 L618 A619 V622 N623F420-I563 HydrophobicContact CE2-CD1 3.53Å; F420-I563 HydrophobicContact CZ-CD1 3.85Å; S559-I563 VanDerWaalsContact O-CB 3.24Å; S559-I563 WeakPolarHBondContact O-CB 3.25Å; S559-I563 VanDerWaalsContact O-CG1 3.29Å; S559-I563 WeakPolarHBondContact O-CG1 3.15Å; S559-I563 PolarHBondContact O-N 3.05Å; I563-V615 HydrophobicContact CD1-CG1 4.16Å; I563-V615 HydrophobicContact CG1-CG1 4.23Å; I563-L618 HydrophobicContact CD1-CD2 4.05Å; I563-L618 HydrophobicContact CD1-CG 4.42Å; I563-A619 HydrophobicContact CG1-CB 4.09Å; I563-V622 HydrophobicContact CG2-CB 3.7Å; I563-V622 HydrophobicContact CG2-CG1 3.52Å; I563-V622 HydrophobicContact CG2-CG2 3.91Å; I563-V622 WeakPolarHBondContact O-CG1 3.36Å; I563-N623 PolarHBondContact O-OD1 3.38Å
564F90.6Very high91.4Very high0 Ų08 Ų80%04%0.039CC..THydrogen-bonded Turntrans-116.825.3-173.5-73-80.4000112.9F424 L427 F428 A431 L465 M469 A566 A567 F568 V622 V626F424-F564 AromaticContact CD1-CD2 3.96Å; F424-F564 HydrophobicContact CD1-CD2 3.96Å; F424-F564 AromaticContact CD1-CE2 3.54Å; F424-F564 HydrophobicContact CD1-CE2 3.54Å; F424-F564 HydrophobicContact CE1-CD2 4.04Å; F424-F564 HydrophobicContact CE1-CE2 4.1Å; L427-F564 HydrophobicContact CB-CE1 4.24Å; L427-F564 HydrophobicContact CB-CE2 4.02Å; L427-F564 HydrophobicContact CB-CZ 3.72Å; L427-F564 HydrophobicContact CD1-CD2 4.19Å; L427-F564 HydrophobicContact CD1-CE2 4.14Å; F428-F564 HydrophobicContact CD1-CE1 4.42Å; F428-F564 HydrophobicContact CD1-CE2 4.43Å; F428-F564 AromaticContact CD1-CZ 3.61Å; F428-F564 HydrophobicContact CD1-CZ 3.61Å; F428-F564 HydrophobicContact CE1-CE2 4.07Å; F428-F564 AromaticContact CE1-CZ 3.61Å; F428-F564 HydrophobicContact CE1-CZ 3.61Å; F428-F564 HydrophobicContact CG-CZ 4.33Å; F428-F564 HydrophobicContact CZ-CE2 4.38Å; F428-F564 HydrophobicContact CZ-CZ 4.32Å; A431-F564 HydrophobicContact CB-CE1 4.14Å; L465-F564 HydrophobicContact CD1-CD1 4.17Å; L465-F564 HydrophobicContact CD1-CE1 4.13Å; L465-F564 HydrophobicContact CD2-CD1 3.95Å; L465-F564 HydrophobicContact CD2-CE1 4.28Å; L465-F564 HydrophobicContact CG-CD1 4.5Å; M469-F564 HydrophobicContact CE-CB 3.38Å; M469-F564 HydrophobicContact CE-CG 4.42Å; M469-F564 HydrophobicContact SD-CB 3.38Å; M469-F564 WeakPolarHBondContact SD-CB 3.41Å; M469-F564 HydrophobicContact SD-CG 4.01Å; F564-A566 VanDerWaalsContact C-N 3.27Å; F564-A566 PolarHBondContact O-N 3.35Å; F564-A567 PolarHBondContact O-N 3.03Å; F564-A567 VanDerWaalsContact O-N 3.1Å; F564-F568 PolarHBondContact O-N 3.25Å; F564-V622 HydrophobicContact CD1-CG1 4.34Å; F564-V622 HydrophobicContact CE1-CG1 4.06Å; F564-V622 HydrophobicContact CZ-CG1 4.2Å; F564-V626 HydrophobicContact CD1-CG2 4.19Å; F564-V626 HydrophobicContact CE1-CG2 4.39Å
565V91.1Very high91.4Very high0 Ų08.1 Ų8.10%04%0.039CC..THydrogen-bonded Turntrans-68-27.8-17573.90000113F267 M271 T561 A567 F568 P572 N623F267-V565 HydrophobicContact CD1-CG2 3.95Å; F267-V565 HydrophobicContact CE1-CG2 3.41Å; F267-V565 VanDerWaalsContact CE1-CG2 3.41Å; F267-V565 HydrophobicContact CZ-CG2 4.32Å; M271-V565 HydrophobicContact CB-CG1 3.73Å; M271-V565 HydrophobicContact CB-CG2 4.46Å; M271-V565 HydrophobicContact CE-CG2 4.32Å; M271-V565 HydrophobicContact CG-CB 4.48Å; M271-V565 HydrophobicContact CG-CG1 3.99Å; M271-V565 HydrophobicContact CG-CG2 3.8Å; T561-V565 WeakPolarHBondContact O-CB 3.46Å; V565-A567 PolarHBondContact O-N 3.41Å; V565-F568 CarbonylContact O-C 3.56Å; V565-F568 VanDerWaalsContact O-C 3.28Å; V565-F568 PolarHBondContact O-N 2.87Å; V565-F568 VanDerWaalsContact O-N 3.15Å; V565-P572 HydrophobicContact CG2-CG 4.45Å; V565-N623 WeakPolarHBondContact CG1-OD1 3.17Å; V565-N623 PolarHBondContact N-OD1 3.46Å
566A89.2Confident91.4Very high4 Ų410.6 Ų10.63%0.0335%0.05CC..THydrogen-bonded Turntrans-60.4-29.3172.600000113.1A268 F564 N623 V626 I627A268-A566 HydrophobicContact CB-CB 3.99Å; F564-A566 VanDerWaalsContact C-N 3.27Å; F564-A566 PolarHBondContact O-N 3.35Å; A566-N623 HydrophobicContact CB-CB 4.31Å; A566-N623 WeakPolarHBondContact CB-OD1 2.97Å; A566-N623 PolarHBondContact N-OD1 3.24Å; A566-V626 HydrophobicContact CB-CB 4.36Å; A566-V626 HydrophobicContact CB-CG1 3.94Å; A566-I627 HydrophobicContact CB-CD1 4.1Å; A566-I627 HydrophobicContact CB-CG1 3.82Å
567A87.6Confident91.3Very high0 Ų014.7 Ų14.70%07%0.072CC..THydrogen-bonded Turntrans-85.6-25.3176.600000112.7L462 L465 F564 V565 V626L462-A567 HydrophobicContact CD2-CB 4.49Å; L462-A567 HydrophobicContact CG-CB 4.33Å; L465-A567 HydrophobicContact CD2-CB 3.6Å; L465-A567 HydrophobicContact CG-CB 4.2Å; F564-A567 PolarHBondContact O-N 3.03Å; F564-A567 VanDerWaalsContact O-N 3.1Å; V565-A567 PolarHBondContact O-N 3.41Å; A567-V626 HydrophobicContact CB-CG1 4.36Å
568F87.2Confident91.2Very high5 Ų514.9 Ų14.92%0.0227%0.073CC..  trans-142.888.7-175.6-173.3-140.7000113.6F259 F466 M469 M473 F564 V565 L570 A571 F574F259-F568 HydrophobicContact CE1-CD2 4.17Å; F259-F568 HydrophobicContact CE1-CE2 4.34Å; F466-F568 HydrophobicContact CD2-CB 4.46Å; F466-F568 AromaticContact CD2-CD2 3.45Å; F466-F568 HydrophobicContact CD2-CD2 3.45Å; F466-F568 VanDerWaalsContact CD2-CD2 3.45Å; F466-F568 AromaticContact CD2-CE2 3.71Å; F466-F568 HydrophobicContact CD2-CE2 3.71Å; F466-F568 HydrophobicContact CD2-CG 4.01Å; F466-F568 HydrophobicContact CD2-CZ 4.42Å; F466-F568 AromaticContact CE2-CD2 3.64Å; F466-F568 HydrophobicContact CE2-CD2 3.64Å; F466-F568 AromaticContact CE2-CE2 3.36Å; F466-F568 HydrophobicContact CE2-CE2 3.36Å; F466-F568 HydrophobicContact CE2-CG 4.48Å; F466-F568 AromaticContact CE2-CZ 3.98Å; F466-F568 HydrophobicContact CE2-CZ 3.98Å; M469-F568 HydrophobicContact CE-CB 4.22Å; M473-F568 HydrophobicContact CE-CD1 4.2Å; M473-F568 HydrophobicContact CE-CE1 3.58Å; F564-F568 PolarHBondContact O-N 3.25Å; V565-F568 CarbonylContact O-C 3.56Å; V565-F568 VanDerWaalsContact O-C 3.28Å; V565-F568 PolarHBondContact O-N 2.87Å; V565-F568 VanDerWaalsContact O-N 3.15Å; F568-L570 HydrophobicContact CD2-CB 4.25Å; F568-L570 HydrophobicContact CE2-CB 3.62Å; F568-L570 HydrophobicContact CE2-CD1 4.38Å; F568-L570 HydrophobicContact CE2-CG 4.41Å; F568-L570 HydrophobicContact CZ-CB 3.85Å; F568-L570 PolarHBondContact O-N 3.48Å; F568-A571 HydrophobicContact CD1-CB 3.56Å; F568-A571 HydrophobicContact CE1-CB 4.15Å; F568-A571 HydrophobicContact CG-CB 4.28Å; F568-A571 VanDerWaalsContact O-CB 3.3Å; F568-A571 WeakPolarHBondContact O-CB 3.23Å; F568-A571 PolarHBondContact O-N 2.79Å; F568-A571 VanDerWaalsContact O-N 3.08Å; F568-F574 AromaticContact CE1-CD2 3.73Å; F568-F574 HydrophobicContact CE1-CD2 3.73Å; F568-F574 HydrophobicContact CE1-CE2 4.07Å; F568-F574 HydrophobicContact CE2-CE2 4.29Å; F568-F574 AromaticContact CZ-CD2 3.54Å; F568-F574 HydrophobicContact CZ-CD2 3.54Å; F568-F574 AromaticContact CZ-CE2 3.38Å; F568-F574 HydrophobicContact CZ-CE2 3.38Å
569P89.4Confident91.1Very high2 Ų214.9 Ų14.91%0.0137%0.073CC..THydrogen-bonded Turntrans-63.5-23.9-178.6-22.932.3000115.2T264 F267 A571 P572T264-P569 HydrophobicContact CG2-CG 3.34Å; F267-P569 HydrophobicContact CD1-CB 3.79Å; F267-P569 HydrophobicContact CD1-CG 4.49Å; F267-P569 HydrophobicContact CE1-CB 3.94Å; F267-P569 VanDerWaalsContact CE1-O 3.31Å; F267-P569 WeakPolarHBondContact CE1-O 3.35Å; P569-A571 VanDerWaalsContact C-N 3.27Å; P569-A571 PolarHBondContact O-N 3.42Å; P569-P572 VanDerWaalsContact O-CD 3.29Å; P569-P572 WeakPolarHBondContact O-CD 3.2Å
570L90Very high90.9Very high21 Ų2117 Ų1711%0.119%0.086CC..THydrogen-bonded Turntrans-82.6-2177.9-64.4175.8000112.9I207 F210 F568 P572 L573 F574I207-L570 HydrophobicContact CG1-CD2 4.26Å; F210-L570 HydrophobicContact CB-CD2 3.82Å; F210-L570 HydrophobicContact CB-CG 4.2Å; F210-L570 HydrophobicContact CD1-CD1 4.28Å; F210-L570 HydrophobicContact CD1-CD2 4.5Å; F210-L570 HydrophobicContact CD2-CD1 3.58Å; F210-L570 HydrophobicContact CD2-CD2 4.4Å; F210-L570 HydrophobicContact CD2-CG 3.96Å; F210-L570 HydrophobicContact CE1-CD1 4.4Å; F210-L570 HydrophobicContact CE2-CD1 3.69Å; F210-L570 HydrophobicContact CG-CD1 3.87Å; F210-L570 HydrophobicContact CG-CD2 4Å; F210-L570 HydrophobicContact CG-CG 4.08Å; F210-L570 HydrophobicContact CZ-CD1 4.11Å; F568-L570 HydrophobicContact CD2-CB 4.25Å; F568-L570 HydrophobicContact CE2-CB 3.62Å; F568-L570 HydrophobicContact CE2-CD1 4.38Å; F568-L570 HydrophobicContact CE2-CG 4.41Å; F568-L570 HydrophobicContact CZ-CB 3.85Å; F568-L570 PolarHBondContact O-N 3.48Å; L570-P572 VanDerWaalsContact C-CD 3.5Å; L570-P572 VanDerWaalsContact C-N 3.33Å; L570-L573 HydrophobicContact CD2-CD2 4.36Å; L570-L573 WeakPolarHBondContact O-CB 3.4Å; L570-L573 PolarHBondContact O-N 3.5Å; L570-L573 VanDerWaalsContact O-N 3.07Å; L570-F574 HydrophobicContact CB-CD2 4.26Å; L570-F574 HydrophobicContact CB-CE2 3.92Å; L570-F574 VanDerWaalsContact O-CD2 3.27Å; L570-F574 WeakPolarHBondContact O-CD2 3.38Å; L570-F574 PolarHBondContact O-N 3.36Å
571A91Very high90.8Very high0 Ų020 Ų200%010%0.101CC..Hα-helixtrans-53.1-44.3179.300000113.2M473 F568 P569 L573 F574 A575M473-A571 HydrophobicContact CE-CB 4.41Å; F568-A571 HydrophobicContact CD1-CB 3.56Å; F568-A571 HydrophobicContact CE1-CB 4.15Å; F568-A571 HydrophobicContact CG-CB 4.28Å; F568-A571 VanDerWaalsContact O-CB 3.3Å; F568-A571 WeakPolarHBondContact O-CB 3.23Å; F568-A571 PolarHBondContact O-N 2.79Å; F568-A571 VanDerWaalsContact O-N 3.08Å; P569-A571 VanDerWaalsContact C-N 3.27Å; P569-A571 PolarHBondContact O-N 3.42Å; A571-L573 VanDerWaalsContact C-N 3.29Å; A571-L573 PolarHBondContact O-N 2.83Å; A571-F574 PolarHBondContact O-N 3.37Å; A571-A575 WeakPolarHBondContact O-CB 3.41Å; A571-A575 PolarHBondContact O-N 2.79Å
572P93.8Very high90.7Very high0 Ų020 Ų200%010%0.101CC..Hα-helixtrans-64.3-30.2178.9-26.240000113.8L199 P202 F267 M271 V565 P569 L570 F576L199-P572 HydrophobicContact CD2-CB 4Å; P202-P572 HydrophobicContact CB-CB 3.66Å; P202-P572 HydrophobicContact CB-CG 3.99Å; F267-P572 HydrophobicContact CE1-CG 4.42Å; F267-P572 HydrophobicContact CZ-CG 4.03Å; M271-P572 HydrophobicContact CE-CG 4.2Å; M271-P572 HydrophobicContact SD-CG 4.29Å; V565-P572 HydrophobicContact CG2-CG 4.45Å; P569-P572 VanDerWaalsContact O-CD 3.29Å; P569-P572 WeakPolarHBondContact O-CD 3.2Å; L570-P572 VanDerWaalsContact C-CD 3.5Å; L570-P572 VanDerWaalsContact C-N 3.33Å; P572-F576 VanDerWaalsContact O-CB 3.28Å; P572-F576 WeakPolarHBondContact O-CB 2.93Å; P572-F576 PolarHBondContact O-N 2.84Å
573L93.1Very high90.6Very high41 Ų4120.5 Ų20.522%0.21510%0.104CC..Hα-helixtrans-66-48.7175.3175.263.8000111.2A203 I207 L570 A571 A575 F576 L577A203-L573 HydrophobicContact CB-CB 4.25Å; A203-L573 HydrophobicContact CB-CD1 4.38Å; I207-L573 HydrophobicContact CD1-CD1 4.03Å; I207-L573 HydrophobicContact CD1-CD2 4.03Å; I207-L573 HydrophobicContact CG1-CD2 3.99Å; L570-L573 HydrophobicContact CD2-CD2 4.36Å; L570-L573 WeakPolarHBondContact O-CB 3.4Å; L570-L573 PolarHBondContact O-N 3.5Å; L570-L573 VanDerWaalsContact O-N 3.07Å; A571-L573 VanDerWaalsContact C-N 3.29Å; A571-L573 PolarHBondContact O-N 2.83Å; L573-A575 VanDerWaalsContact C-N 3.32Å; L573-A575 PolarHBondContact O-N 2.82Å; L573-F576 PolarHBondContact O-N 3.35Å; L573-L577 HydrophobicContact CD1-CD1 4.39Å; L573-L577 HydrophobicContact CD1-CG 4.41Å; L573-L577 HydrophobicContact CG-CD1 4.36Å; L573-L577 WeakPolarHBondContact O-CG 3.46Å; L573-L577 PolarHBondContact O-N 3.29Å
574F91.1Very high90.4Very high76 Ų7621.1 Ų21.133%0.33311%0.107SC..Hα-helixtrans-64.8-39178.2-70.5-65.7000111.8M473 V474 F568 L570 A571 L577 N578M473-F574 HydrophobicContact CE-CB 3.48Å; M473-F574 VanDerWaalsContact CE-CB 3.48Å; M473-F574 HydrophobicContact CE-CD2 4.01Å; M473-F574 HydrophobicContact CE-CG 4.03Å; V474-F574 HydrophobicContact CG2-CD1 4.33Å; F568-F574 AromaticContact CE1-CD2 3.73Å; F568-F574 HydrophobicContact CE1-CD2 3.73Å; F568-F574 HydrophobicContact CE1-CE2 4.07Å; F568-F574 HydrophobicContact CE2-CE2 4.29Å; F568-F574 AromaticContact CZ-CD2 3.54Å; F568-F574 HydrophobicContact CZ-CD2 3.54Å; F568-F574 AromaticContact CZ-CE2 3.38Å; F568-F574 HydrophobicContact CZ-CE2 3.38Å; L570-F574 HydrophobicContact CB-CD2 4.26Å; L570-F574 HydrophobicContact CB-CE2 3.92Å; L570-F574 VanDerWaalsContact O-CD2 3.27Å; L570-F574 WeakPolarHBondContact O-CD2 3.38Å; L570-F574 PolarHBondContact O-N 3.36Å; A571-F574 PolarHBondContact O-N 3.37Å; F574-L577 PolarHBondContact O-N 2.74Å; F574-N578 WeakPolarHBondContact O-CB 3.38Å; F574-N578 PolarHBondContact O-N 3.42Å
575A91.9Very high90.3Very high1 Ų121.6 Ų21.61%0.00811%0.109CC..Hα-helixtrans-62.4-42.1173.300000112.6L199 Q557 T561 A571 L573 N578 N579L199-A575 HydrophobicContact CD1-CB 4.08Å; Q557-A575 HydrophobicContact CG-CB 4.26Å; Q557-A575 VanDerWaalsContact NE2-CA 3.33Å; Q557-A575 VanDerWaalsContact NE2-CB 3.27Å; Q557-A575 PolarHBondContact NE2-O 3.08Å; T561-A575 HydrophobicContact CG2-CB 3.36Å; A571-A575 WeakPolarHBondContact O-CB 3.41Å; A571-A575 PolarHBondContact O-N 2.79Å; L573-A575 VanDerWaalsContact C-N 3.32Å; L573-A575 PolarHBondContact O-N 2.82Å; A575-N578 PolarHBondContact O-N 3.4Å; A575-N579 WeakPolarHBondContact O-CB 3.44Å; A575-N579 PolarHBondContact O-N 3.47Å; A575-N579 PolarHBondContact O-OD1 3.44Å
576F93.2Very high90.3Very high52 Ų5221.6 Ų21.623%0.22811%0.109CC..Hα-helixtrans-61.3-50.7175.5171.5-100.2000111.6T196 L199 I200 P572 L573 N578 N579 V580T196-F576 HydrophobicContact CG2-CD2 3.84Å; T196-F576 HydrophobicContact CG2-CE2 3.84Å; T196-F576 WeakPolarHBondContact O-CD2 3.36Å; L199-F576 HydrophobicContact CB-CB 4.31Å; L199-F576 HydrophobicContact CB-CD2 4.46Å; I200-F576 HydrophobicContact CD1-CE2 4.1Å; I200-F576 HydrophobicContact CG1-CD2 3.98Å; I200-F576 HydrophobicContact CG1-CE2 3.49Å; I200-F576 VanDerWaalsContact CG1-CE2 3.49Å; I200-F576 HydrophobicContact CG1-CZ 4.12Å; P572-F576 VanDerWaalsContact O-CB 3.28Å; P572-F576 WeakPolarHBondContact O-CB 2.93Å; P572-F576 PolarHBondContact O-N 2.84Å; L573-F576 PolarHBondContact O-N 3.35Å; F576-N578 VanDerWaalsContact C-N 3.26Å; F576-N578 PolarHBondContact O-N 2.84Å; F576-N579 PolarHBondContact O-N 2.89Å; F576-V580 HydrophobicContact CD2-CG2 4.48Å; F576-V580 HydrophobicContact CE1-CG2 4.18Å; F576-V580 HydrophobicContact CE2-CG2 4.05Å; F576-V580 HydrophobicContact CZ-CG2 3.88Å; F576-V580 WeakPolarHBondContact O-CG2 3.49Å; F576-V580 PolarHBondContact O-N 2.95Å
577L90.6Very high90.4Very high88 Ų8821.4 Ų21.446%0.46111%0.107SC..Hα-helixtrans-59.8-40.3178.2-68.7175000111.5L573 F574 I581L573-L577 HydrophobicContact CD1-CD1 4.39Å; L573-L577 HydrophobicContact CD1-CG 4.41Å; L573-L577 HydrophobicContact CG-CD1 4.36Å; L573-L577 WeakPolarHBondContact O-CG 3.46Å; L573-L577 PolarHBondContact O-N 3.29Å; F574-L577 PolarHBondContact O-N 2.74Å; L577-I581 WeakPolarHBondContact O-CG1 3.5Å; L577-I581 PolarHBondContact O-N 3.38Å
578N90.1Very high90.5Very high13 Ų1322.1 Ų22.17%0.0711%0.111CC..Hα-helixtrans-63.3-51.8175.6-17649.4000111.6Q477 N481 Q557 F574 A575 F576 V580 I581 E582Q477-N578 HydrophobicContact CG-CB 4.03Å; Q477-N578 WeakPolarHBondContact CG-ND2 3.39Å; Q477-N578 WeakPolarHBondContact CG-OD1 3.45Å; Q477-N578 PolarHBondContact NE2-ND2 2.85Å; Q477-N578 PolarHBondContact NE2-OD1 3.23Å; Q477-N578 PolarHBondContact OE1-ND2 3.06Å; N481-N578 PolarHBondContact ND2-OD1 3.45Å; N481-N578 VanDerWaalsContact ND2-OD1 3.16Å; Q557-N578 PolarHBondContact OE1-ND2 3.47Å; F574-N578 WeakPolarHBondContact O-CB 3.38Å; F574-N578 PolarHBondContact O-N 3.42Å; A575-N578 PolarHBondContact O-N 3.4Å; F576-N578 VanDerWaalsContact C-N 3.26Å; F576-N578 PolarHBondContact O-N 2.84Å; N578-V580 PolarHBondContact O-N 3.24Å; N578-I581 CarbonylContact O-C 3.13Å; N578-I581 WeakPolarHBondContact O-CA 3.41Å; N578-I581 WeakPolarHBondContact O-CB 3.36Å; N578-I581 PolarHBondContact O-N 2.84Å; N578-E582 WeakPolarHBondContact O-CB 3.27Å; N578-E582 PolarHBondContact O-N 3.2Å
579N91.3Very high90.6Very high0 Ų022.3 Ų22.30%011%0.112CC..Hα-helixtrans-59.7-35.1-176.9-70.1-0.2000112.8L192 Y195 T196 Q557 A575 F576 I581 E582 I583L192-N579 HydrophobicContact CD1-CB 4.38Å; Y195-N579 WeakPolarHBondContact CD1-ND2 3.46Å; Y195-N579 WeakPolarHBondContact CE1-ND2 3.27Å; T196-N579 HydrophobicContact CG2-CB 3.94Å; T196-N579 WeakPolarHBondContact OG1-CB 3.46Å; T196-N579 PolarHBondContact OG1-ND2 3.04Å; Q557-N579 PolarHBondContact NE2-OD1 2.92Å; A575-N579 WeakPolarHBondContact O-CB 3.44Å; A575-N579 PolarHBondContact O-N 3.47Å; A575-N579 PolarHBondContact O-OD1 3.44Å; F576-N579 PolarHBondContact O-N 2.89Å; N579-I581 VanDerWaalsContact C-N 3.3Å; N579-I581 PolarHBondContact O-N 2.92Å; N579-E582 PolarHBondContact O-N 2.9Å; N579-I583 WeakPolarHBondContact O-CB 3.48Å; N579-I583 VanDerWaalsContact O-CG1 3.23Å; N579-I583 WeakPolarHBondContact O-CG1 3.4Å; N579-I583 PolarHBondContact O-N 2.85Å
580V90.1Very high90.6Very high45 Ų4522.3 Ų22.327%0.27311%0.112SC..Hα-helixtrans-61-41.7175.7169.80000111.3C168 T196 F576 N578C168-V580 WeakPolarHBondContact SG-CG1 3.35Å; T196-V580 HydrophobicContact CG2-CG2 3.91Å; F576-V580 HydrophobicContact CD2-CG2 4.48Å; F576-V580 HydrophobicContact CE1-CG2 4.18Å; F576-V580 HydrophobicContact CE2-CG2 4.05Å; F576-V580 HydrophobicContact CZ-CG2 3.88Å; F576-V580 WeakPolarHBondContact O-CG2 3.49Å; F576-V580 PolarHBondContact O-N 2.95Å; N578-V580 PolarHBondContact O-N 3.24Å
581I88.3Confident90.7Very high70 Ų7021.3 Ų21.336%0.35911%0.107SC..Hα-helixtrans-69.3-45.9175.2-67.4170.5000109.7W165 L577 N578 N579 R584 L585W165-I581 HydrophobicContact CH2-CG2 4.02Å; W165-I581 HydrophobicContact CZ3-CG2 4.25Å; L577-I581 WeakPolarHBondContact O-CG1 3.5Å; L577-I581 PolarHBondContact O-N 3.38Å; N578-I581 CarbonylContact O-C 3.13Å; N578-I581 WeakPolarHBondContact O-CA 3.41Å; N578-I581 WeakPolarHBondContact O-CB 3.36Å; N578-I581 PolarHBondContact O-N 2.84Å; N579-I581 VanDerWaalsContact C-N 3.3Å; N579-I581 PolarHBondContact O-N 2.92Å; I581-R584 PolarHBondContact O-N 3.09Å; I581-R584 VanDerWaalsContact O-N 3.15Å; I581-L585 HydrophobicContact CG2-CD1 3.57Å; I581-L585 HydrophobicContact CG2-CG 3.99Å; I581-L585 PolarHBondContact O-N 2.98Å
582E89.6Confident90.5Very high0 Ų022.5 Ų22.50%011%0.114CC..Hα-helixtrans-62.1-48.4-173.9-164.276.2170.300113.1N481 M554 N578 N579 R584 L585 D586N481-E582 PolarHBondContact OD1-OE2 3.19Å; M554-E582 HydrophobicContact CE-CB 4.41Å; M554-E582 HydrophobicContact CE-CG 3.35Å; M554-E582 WeakPolarHBondContact CE-OE1 3.48Å; M554-E582 HydrophobicContact SD-CG 4.06Å; N578-E582 WeakPolarHBondContact O-CB 3.27Å; N578-E582 PolarHBondContact O-N 3.2Å; N579-E582 PolarHBondContact O-N 2.9Å; E582-R584 PolarHBondContact O-N 2.94Å; E582-L585 PolarHBondContact O-N 3.19Å; E582-D586 WeakPolarHBondContact O-CB 3.3Å; E582-D586 PolarHBondContact O-N 3.39Å
583I90.4Very high90.1Very high12 Ų1223 Ų236%0.06212%0.117CC..Hα-helixtrans-50.5-37.7177.2-73.1165.7000110.6Q172 L192 T196 N579 A587Q172-I583 HydrophobicContact CG-CG2 4.4Å; L192-I583 HydrophobicContact CB-CG1 4.45Å; L192-I583 HydrophobicContact CD2-CB 4.4Å; L192-I583 HydrophobicContact CD2-CG1 3.44Å; L192-I583 VanDerWaalsContact CD2-CG1 3.44Å; L192-I583 HydrophobicContact CG-CD1 4.12Å; L192-I583 HydrophobicContact CG-CG1 3.54Å; T196-I583 HydrophobicContact CG2-CD1 4.4Å; N579-I583 WeakPolarHBondContact O-CB 3.48Å; N579-I583 VanDerWaalsContact O-CG1 3.23Å; N579-I583 WeakPolarHBondContact O-CG1 3.4Å; N579-I583 PolarHBondContact O-N 2.85Å; I583-A587 VanDerWaalsContact O-CB 3.31Å; I583-A587 WeakPolarHBondContact O-CB 3.18Å; I583-A587 PolarHBondContact O-N 2.78Å
584R89.7Confident89.9Confident14 Ų1422.1 Ų22.15%0.05311%0.111CC..Hα-helixtrans-83.5-39.3-179.2-57-56176.8-1462.8112.3W165 A167 C168 K170 I581 E582 A587 I588W165-R584 HydrophobicContact CE3-CB 4.22Å; W165-R584 HydrophobicContact CZ3-CB 4.16Å; A167-R584 PolarHBondContact O-NH2 3.26Å; C168-R584 PolarHBondContact O-NH2 3.48Å; K170-R584 PolarHBondContact O-NH2 3.35Å; I581-R584 PolarHBondContact O-N 3.09Å; I581-R584 VanDerWaalsContact O-N 3.15Å; E582-R584 PolarHBondContact O-N 2.94Å; R584-A587 PolarHBondContact O-N 2.96Å; R584-I588 WeakPolarHBondContact O-CB 3.37Å; R584-I588 WeakPolarHBondContact O-CD1 3.17Å; R584-I588 WeakPolarHBondContact O-CG1 3.27Å; R584-I588 PolarHBondContact O-N 3.49Å
585L88.8Confident89.9Confident9 Ų919.5 Ų19.55%0.04710%0.099CC..Hα-helixtrans-59.9-49.8174.5-76.3179.7000111W165 N481 Y485 I581 E582 A587 I588 K589W165-L585 HydrophobicContact CH2-CD1 4.48Å; W165-L585 HydrophobicContact CH2-CD2 3.5Å; W165-L585 HydrophobicContact CH2-CG 3.69Å; W165-L585 HydrophobicContact CZ2-CD2 3.39Å; W165-L585 HydrophobicContact CZ2-CG 4.11Å; N481-L585 HydrophobicContact CB-CD1 3.67Å; Y485-L585 HydrophobicContact CD2-CD2 3.79Å; Y485-L585 HydrophobicContact CG-CD2 4.21Å; I581-L585 HydrophobicContact CG2-CD1 3.57Å; I581-L585 HydrophobicContact CG2-CG 3.99Å; I581-L585 PolarHBondContact O-N 2.98Å; E582-L585 PolarHBondContact O-N 3.19Å; L585-A587 PolarHBondContact O-N 3.42Å; L585-I588 PolarHBondContact O-N 3.42Å; L585-I588 VanDerWaalsContact O-N 3.16Å; L585-K589 VanDerWaalsContact O-CB 3.24Å; L585-K589 WeakPolarHBondContact O-CB 3.12Å; L585-K589 PolarHBondContact O-N 3.49Å
586D90.6Very high89.8Confident0 Ų019.8 Ų19.80%010%0.1CC..Hα-helixtrans-58.5-46.2176.8-82.3-23.6000111.9Y188 F189 E582 I588 K589 M590Y188-D586 WeakPolarHBondContact CE1-OD2 3.42Å; Y188-D586 PolarHBondContact OH-OD2 3.28Å; F189-D586 HydrophobicContact CE1-CB 3.77Å; F189-D586 HydrophobicContact CZ-CB 3.75Å; E582-D586 WeakPolarHBondContact O-CB 3.3Å; E582-D586 PolarHBondContact O-N 3.39Å; D586-I588 VanDerWaalsContact C-N 3.35Å; D586-I588 PolarHBondContact O-N 2.92Å; D586-K589 PolarHBondContact O-N 3.36Å; D586-K589 VanDerWaalsContact OD1-CE 3.26Å; D586-K589 WeakPolarHBondContact OD1-CE 3.23Å; D586-K589 IonicContact OD1-NZ 2.67Å; D586-K589 PolarHBondContact OD1-NZ 3.47Å; D586-M590 HydrophobicContact CB-CE 4.41Å; D586-M590 WeakPolarHBondContact O-CB 3.47Å; D586-M590 WeakPolarHBondContact O-CG 3.28Å; D586-M590 PolarHBondContact O-N 2.95Å
587A91.8Very high89.7Confident0 Ų018.1 Ų18.10%09%0.093CC..Hα-helixtrans-59.7-44.9176.600000111.9W162 A163 I583 R584 L585 V591W162-A587 HydrophobicContact CD2-CB 3.72Å; W162-A587 HydrophobicContact CE3-CB 3.85Å; W162-A587 HydrophobicContact CG-CB 4.46Å; W162-A587 HydrophobicContact CH2-CB 3.66Å; W162-A587 HydrophobicContact CZ2-CB 3.52Å; W162-A587 HydrophobicContact CZ3-CB 3.82Å; A163-A587 HydrophobicContact CB-CB 3.98Å; A163-A587 WeakPolarHBondContact CB-O 3.46Å; I583-A587 VanDerWaalsContact O-CB 3.31Å; I583-A587 WeakPolarHBondContact O-CB 3.18Å; I583-A587 PolarHBondContact O-N 2.78Å; R584-A587 PolarHBondContact O-N 2.96Å; L585-A587 PolarHBondContact O-N 3.42Å; A587-V591 WeakPolarHBondContact O-CB 3.39Å; A587-V591 WeakPolarHBondContact O-CG2 3.45Å; A587-V591 PolarHBondContact O-N 2.99Å
588I89.4Confident89.7Confident16 Ų1615.9 Ų15.98%0.0828%0.083CC..Hα-helixtrans-65.9-44.4178.6-70.1165.6000111A163 W165 R584 L585 D586 T592 L593A163-I588 HydrophobicContact CB-CG1 4.21Å; A163-I588 WeakPolarHBondContact O-CG1 2.89Å; W165-I588 HydrophobicContact CD2-CD1 4.36Å; W165-I588 HydrophobicContact CG-CD1 4.43Å; W165-I588 HydrophobicContact CZ2-CD1 4.49Å; R584-I588 WeakPolarHBondContact O-CB 3.37Å; R584-I588 WeakPolarHBondContact O-CD1 3.17Å; R584-I588 WeakPolarHBondContact O-CG1 3.27Å; R584-I588 PolarHBondContact O-N 3.49Å; L585-I588 PolarHBondContact O-N 3.42Å; L585-I588 VanDerWaalsContact O-N 3.16Å; D586-I588 VanDerWaalsContact C-N 3.35Å; D586-I588 PolarHBondContact O-N 2.92Å; I588-T592 WeakPolarHBondContact O-CB 3.32Å; I588-T592 PolarHBondContact O-N 3.14Å; I588-T592 PolarHBondContact O-OG1 2.96Å; I588-L593 HydrophobicContact CG2-CD1 4.47Å
589K88.6Confident89.7Confident9 Ų915.3 Ų15.34%0.0398%0.08CC..Iπ-helixtrans-56.6-58.3178175.2177.362.7-165.40110.2E484 E550 L585 D586 V591 L593 E594E484-K589 HydrophobicContact CG-CD 3.77Å; E484-K589 VanDerWaalsContact OE1-CD 3.24Å; E484-K589 WeakPolarHBondContact OE1-CD 3.38Å; E484-K589 WeakPolarHBondContact OE1-CE 3.35Å; E484-K589 IonicContact OE1-NZ 3.92Å; E484-K589 PolarHBondContact OE1-NZ 2.99Å; E484-K589 IonicContact OE2-NZ 3.49Å; E484-K589 PolarHBondContact OE2-NZ 2.99Å; E550-K589 WeakPolarHBondContact OE1-CE 3.25Å; E550-K589 IonicContact OE1-NZ 2.72Å; E550-K589 PolarHBondContact OE1-NZ 2.92Å; E550-K589 IonicContact OE2-NZ 3.72Å; E550-K589 PolarHBondContact OE2-NZ 3.4Å; L585-K589 VanDerWaalsContact O-CB 3.24Å; L585-K589 WeakPolarHBondContact O-CB 3.12Å; L585-K589 PolarHBondContact O-N 3.49Å; D586-K589 PolarHBondContact O-N 3.36Å; D586-K589 VanDerWaalsContact OD1-CE 3.26Å; D586-K589 WeakPolarHBondContact OD1-CE 3.23Å; D586-K589 IonicContact OD1-NZ 2.67Å; D586-K589 PolarHBondContact OD1-NZ 3.47Å; K589-V591 PolarHBondContact O-N 3.46Å; K589-L593 PolarHBondContact O-N 3.38Å; K589-E594 WeakPolarHBondContact CD-OE1 3.16Å; K589-E594 HydrophobicContact CG-CG 3.82Å; K589-E594 WeakPolarHBondContact CG-OE1 3.3Å; K589-E594 PolarHBondContact O-N 2.92Å
590M90.4Very high89.5Confident2 Ų218.3 Ų18.31%0.019%0.093CC..Iπ-helixtrans-67.5-34-176.1-63.3177.5-177.300113.5F181 V185 Y188 F189 L547 E550 D586 M597F181-M590 HydrophobicContact CZ-CB 4.19Å; F181-M590 WeakPolarHBondContact CZ-O 3.44Å; V185-M590 HydrophobicContact CG1-SD 4.25Å; Y188-M590 HydrophobicContact CE1-CE 4.5Å; F189-M590 HydrophobicContact CE2-CE 4.33Å; F189-M590 HydrophobicContact CE2-SD 3.63Å; F189-M590 HydrophobicContact CZ-CE 4.24Å; F189-M590 HydrophobicContact CZ-SD 3.73Å; L547-M590 HydrophobicContact CD1-CE 4.41Å; E550-M590 HydrophobicContact CG-CE 4.02Å; D586-M590 HydrophobicContact CB-CE 4.41Å; D586-M590 WeakPolarHBondContact O-CB 3.47Å; D586-M590 WeakPolarHBondContact O-CG 3.28Å; D586-M590 PolarHBondContact O-N 2.95Å; M590-M597 HydrophobicContact CB-CE 4.12Å; M590-M597 HydrophobicContact CE-CE 3.78Å; M590-M597 HydrophobicContact CG-CE 3.53Å; M590-M597 HydrophobicContact SD-CE 3.33Å; M590-M597 WeakPolarHBondContact SD-CE 3.44Å
591V90.9Very high89.3Confident0 Ų018 Ų180%09%0.088CC..Iπ-helixtrans-83.7-32.8-178.3176.70000112.1Q155 L158 K159 W162 A163 F181 A587 K589Q155-V591 HydrophobicContact CG-CG1 3.88Å; Q155-V591 PolarHBondContact NE2-O 2.96Å; L158-V591 HydrophobicContact CB-CG1 4.4Å; L158-V591 HydrophobicContact CB-CG2 4.41Å; K159-V591 HydrophobicContact CB-CG1 4.26Å; W162-V591 HydrophobicContact CE3-CG2 4.26Å; W162-V591 HydrophobicContact CZ3-CG2 3.96Å; A163-V591 HydrophobicContact CB-CB 3.96Å; A163-V591 HydrophobicContact CB-CG1 4.31Å; A163-V591 HydrophobicContact CB-CG2 4Å; F181-V591 HydrophobicContact CE2-CG2 3.9Å; F181-V591 HydrophobicContact CZ-CG2 4.06Å; A587-V591 WeakPolarHBondContact O-CB 3.39Å; A587-V591 WeakPolarHBondContact O-CG2 3.45Å; A587-V591 PolarHBondContact O-N 2.99Å; K589-V591 PolarHBondContact O-N 3.46Å
592T86.1Confident89.3Confident25 Ų2514.8 Ų14.815%0.1537%0.072CC..Iπ-helixtrans-128-21.2-165.473.70000117K159 I588K159-T592 HydrophobicContact CD-CG2 4.02Å; K159-T592 HydrophobicContact CG-CG2 4.19Å; I588-T592 WeakPolarHBondContact O-CB 3.32Å; I588-T592 PolarHBondContact O-N 3.14Å; I588-T592 PolarHBondContact O-OG1 2.96Å
593L86.4Confident89.2Confident11 Ų1117.2 Ų17.26%0.0589%0.085CC..Iπ-helixtrans-110.5-25.6-173.4-58.2178.5000112.5P488 L489 T540 I588 K589P488-L593 HydrophobicContact CB-CB 3.95Å; P488-L593 HydrophobicContact CB-CD1 4.1Å; P488-L593 HydrophobicContact CB-CD2 4.39Å; P488-L593 HydrophobicContact CB-CG 4.36Å; P488-L593 HydrophobicContact CG-CD1 4.33Å; L489-L593 HydrophobicContact CG-CD2 4.39Å; T540-L593 PolarHBondContact N-O 3.37Å; T540-L593 PolarHBondContact OG1-O 3.12Å; I588-L593 HydrophobicContact CG2-CD1 4.47Å; K589-L593 PolarHBondContact O-N 3.38Å
594E88.9Confident89.2Confident21 Ų2118.4 Ų18.410%0.0989%0.093CC..BIsolated β-bridgetrans-107158.6-177.6-68.3-173.2158.300112.6H150 L539 V542 K589H150-E594 PolarHBondContact NE2-O 2.91Å; H150-E594 VanDerWaalsContact NE2-O 3.12Å; L539-E594 WeakPolarHBondContact CD1-O 3.44Å; V542-E594 HydrophobicContact CG2-CB 3.66Å; V542-E594 HydrophobicContact CG2-CG 4.16Å; K589-E594 WeakPolarHBondContact CD-OE1 3.16Å; K589-E594 HydrophobicContact CG-CG 3.82Å; K589-E594 WeakPolarHBondContact CG-OE1 3.3Å; K589-E594 PolarHBondContact O-N 2.92Å
595R90.6Very high89.1Confident22 Ų2218.1 Ų18.18%0.0839%0.092CC..PPolyproline II helixtrans-68.2153.3167.6-66.2176.6-173.7160.4-2.4110.1T145 F147 N536 Y537 L539 T540 D541 V542 M597T145-R595 PolarHBondContact OG1-NH1 2.99Å; F147-R595 HydrophobicContact CB-CB 4.42Å; F147-R595 HydrophobicContact CB-CG 4.45Å; N536-R595 WeakPolarHBondContact O-CG 3.49Å; Y537-R595 PolarHBondContact O-NH2 2.83Å; L539-R595 HydrophobicContact CB-CG 3.79Å; L539-R595 PolarHBondContact O-NE 3.4Å; T540-R595 WeakPolarHBondContact O-CG 3.33Å; T540-R595 PolarHBondContact O-N 3.48Å; D541-R595 VanDerWaalsContact CG-NH1 3.29Å; D541-R595 IonicContact OD1-CZ 3.09Å; D541-R595 IonicContact OD1-NH1 2.94Å; D541-R595 PolarHBondContact OD1-NH1 3.21Å; V542-R595 HydrophobicContact CG2-CB 4.43Å; V542-R595 VanDerWaalsContact CG2-O 3.26Å; V542-R595 WeakPolarHBondContact CG2-O 3.16Å; R595-M597 PolarHBondContact O-N 3.42Å; R595-M597 VanDerWaalsContact O-N 3.15Å
596R91.2Very high89Confident7 Ų718.7 Ų18.73%0.02610%0.1CC..BIsolated β-bridgetrans-63.7121-177.2-174.3179.1179.8177.10.5110.5C148 L149 H150 Y180 F181C148-R596 HydrophobicContact CB-CB 4.23Å; L149-R596 VanDerWaalsContact O-CD 3.31Å; L149-R596 WeakPolarHBondContact O-CD 3.46Å; L149-R596 PolarHBondContact O-NH1 3.17Å; H150-R596 WeakPolarHBondContact NE2-CA 3.18Å; H150-R596 PolarHBondContact NE2-N 3.48Å; Y180-R596 HydrophobicContact CE1-CG 4.29Å; Y180-R596 PolarHBondContact O-NE 2.94Å; Y180-R596 PolarHBondContact O-NH2 2.61Å; F181-R596 HydrophobicContact CD1-CG 4.47Å; F181-R596 HydrophobicContact CE1-CG 4.3Å
597M90.2Very high89Confident16 Ų1619.8 Ų19.88%0.07911%0.107CC..PPolyproline II helixtrans-56.8144.8170.1-89.1-173.9-8100111.9F181 V185 V542 L547 M590 R595 P599F181-M597 HydrophobicContact CD1-CB 4.28Å; V185-M597 HydrophobicContact CG2-CE 4.13Å; V185-M597 HydrophobicContact CG2-SD 4.07Å; V542-M597 HydrophobicContact CG1-CG 3.42Å; V542-M597 VanDerWaalsContact CG1-CG 3.42Å; V542-M597 HydrophobicContact CG1-SD 4.34Å; L547-M597 HydrophobicContact CB-SD 4.33Å; M590-M597 HydrophobicContact CB-CE 4.12Å; M590-M597 HydrophobicContact CE-CE 3.78Å; M590-M597 HydrophobicContact CG-CE 3.53Å; M590-M597 HydrophobicContact SD-CE 3.33Å; M590-M597 WeakPolarHBondContact SD-CE 3.44Å; R595-M597 PolarHBondContact O-N 3.42Å; R595-M597 VanDerWaalsContact O-N 3.15Å; M597-P599 WeakPolarHBondContact O-CD 3.42Å
598V90.2Very high89.2Confident41 Ų4120.3 Ų20.325%0.24811%0.109CC..PPolyproline II helixtrans-76.9121.6176.9177.10000108.3H120 K600H120-V598 HydrophobicContact CB-CG1 3.8Å; H120-V598 WeakPolarHBondContact CE1-CG2 3.37Å; H120-V598 WeakPolarHBondContact ND1-CG2 3.25Å; V598-K600 PolarHBondContact O-N 2.95Å
599P90.5Very high89.3Confident2 Ų220.5 Ų20.51%0.01311%0.11CC..PPolyproline II helixtrans-63.7134-178.2-25.137.5000112.4R117 F181 M597R117-P599 WeakPolarHBondContact CB-O 3.32Å; R117-P599 WeakPolarHBondContact CD-O 3.34Å; R117-P599 WeakPolarHBondContact CG-O 2.97Å; F181-P599 VanDerWaalsContact O-CA 3.27Å; F181-P599 WeakPolarHBondContact O-CA 3.36Å; M597-P599 WeakPolarHBondContact O-CD 3.42Å
600K87Confident89.6Confident62 Ų6225 Ų2527%0.2713%0.134SC..  trans-123.1134173.6-69.7-176.6177177.70109.4E183 K184 E408 V598E183-K600 PolarHBondContact N-O 2.74Å; K184-K600 HydrophobicContact CB-CB 4.11Å; K184-K600 HydrophobicContact CD-CB 4.27Å; K184-K600 HydrophobicContact CD-CD 4.04Å; K184-K600 PolarHBondContact N-O 3.36Å; K184-K600 VanDerWaalsContact N-O 3.11Å; E408-K600 IonicContact OE1-NZ 2.83Å; E408-K600 IonicContact OE2-NZ 2.97Å; E408-K600 PolarHBondContact OE2-NZ 2.82Å; V598-K600 PolarHBondContact O-N 2.95Å
601K85.9Confident89.8Confident39 Ų3925.5 Ų25.517%0.1714%0.137CC..  trans-83.9142.1168.4-78.3-174.3-176.6-1680109.5E183 W298E183-K601 VanDerWaalsContact CD-CG 3.45Å; E183-K601 HydrophobicContact CG-CG 4.44Å; E183-K601 WeakPolarHBondContact OE1-CG 3.31Å; E183-K601 WeakPolarHBondContact OE2-CG 3.43Å; W298-K601 HydrophobicContact CD2-CB 4.42Å; W298-K601 HydrophobicContact CD2-CD 4.31Å; W298-K601 HydrophobicContact CE3-CD 4.42Å; W298-K601 HydrophobicContact CH2-CD 3.8Å; W298-K601 HydrophobicContact CZ2-CB 4.1Å; W298-K601 HydrophobicContact CZ2-CD 3.63Å; W298-K601 HydrophobicContact CZ2-CG 4.44Å; W298-K601 HydrophobicContact CZ3-CD 4.19Å
602T88.2Confident89.9Confident2 Ų225.5 Ų25.51%0.01214%0.137CC..  trans-160.5155.5172.2-168.30000108.5K184 L187 E300 T604K184-T602 HydrophobicContact CB-CG2 3.84Å; K184-T602 HydrophobicContact CG-CG2 4.03Å; L187-T602 HydrophobicContact CD1-CG2 3.79Å; E300-T602 VanDerWaalsContact OE1-CB 3.23Å; E300-T602 WeakPolarHBondContact OE1-CB 3.19Å; E300-T602 PolarHBondContact OE1-OG1 3.21Å; T602-T604 WeakPolarHBondContact CG2-O 3.29Å; T602-T604 PolarHBondContact OG1-O 3.45Å; T602-T604 VanDerWaalsContact OG1-O 3.06Å
603N87.8Confident90.2Very high51 Ų5127.3 Ų27.327%0.27314%0.143SC..SBendtrans-103-0.3176.867.9-14.8000112.5V290 V295 T296 W298V290-N603 HydrophobicContact CG1-CB 4.02Å; V290-N603 WeakPolarHBondContact CG2-O 3.47Å; V295-N603 WeakPolarHBondContact O-CB 3.29Å; T296-N603 PolarHBondContact O-ND2 3.42Å; W298-N603 HydrophobicContact CB-CB 4.35Å; W298-N603 PolarHBondContact O-ND2 3.39Å
604T89.1Confident90.5Very high38 Ų3829.7 Ų29.723%0.23317%0.165CC..SBendtrans-147.8159.9-177.8179.80000110.5T602 G606 I609T602-T604 WeakPolarHBondContact CG2-O 3.29Å; T602-T604 PolarHBondContact OG1-O 3.45Å; T602-T604 VanDerWaalsContact OG1-O 3.06Å; T604-G606 PolarHBondContact O-N 2.94Å; T604-G606 PolarHBondContact OG1-N 3.48Å; T604-I609 WeakPolarHBondContact OG1-CD1 3.48Å
605I88Confident90.7Very high7 Ų728.9 Ų28.94%0.03616%0.162CC..  trans-68.7-9164.161.9174.1000111.4L187 W282 F551 W608 I609 L612L187-I605 HydrophobicContact CB-CG2 3.89Å; L187-I605 HydrophobicContact CD1-CG2 4.48Å; W282-I605 HydrophobicContact CZ2-CG2 4.09Å; F551-I605 HydrophobicContact CE1-CB 4.15Å; F551-I605 HydrophobicContact CE1-CG2 4.14Å; F551-I605 HydrophobicContact CZ-CB 4.21Å; F551-I605 HydrophobicContact CZ-CG2 4.1Å; I605-W608 HydrophobicContact CD1-CB 3.94Å; I605-W608 HydrophobicContact CG1-CB 4.13Å; I605-W608 VanDerWaalsContact O-CD1 3.24Å; I605-I609 HydrophobicContact CD1-CG1 3.68Å; I605-I609 HydrophobicContact CG1-CD1 3.99Å; I605-I609 HydrophobicContact CG1-CG1 3.36Å; I605-L612 HydrophobicContact CD1-CD1 4.34Å
606G87.1Confident90.8Very high21 Ų2128.5 Ų28.522%0.21616%0.164CC..THydrogen-bonded Turntrans90.9-143.5174.700000111.7T604 W608 I609T604-G606 PolarHBondContact O-N 2.94Å; T604-G606 PolarHBondContact OG1-N 3.48Å; G606-W608 PolarHBondContact O-N 2.89Å; G606-I609 PolarHBondContact O-N 3.42Å; G606-I609 VanDerWaalsContact O-N 3.16Å
607V91.6Very high90.7Very high23 Ų2331.1 Ų31.114%0.13918%0.181CC..THydrogen-bonded Turntrans-61.9-15.2-177-172.90000112.8K409 T412 V413 I609 D610 I611K409-V607 HydrophobicContact CB-CG2 3.65Å; K409-V607 HydrophobicContact CD-CG2 4.3Å; K409-V607 HydrophobicContact CG-CG2 3.71Å; T412-V607 HydrophobicContact CG2-CB 4.44Å; V413-V607 HydrophobicContact CG2-CG1 3.48Å; V413-V607 VanDerWaalsContact CG2-CG1 3.48Å; V607-I609 PolarHBondContact O-N 2.83Å; V607-D610 PolarHBondContact O-N 2.84Å; V607-D610 VanDerWaalsContact O-N 3.16Å; V607-I611 HydrophobicContact CG1-CD1 4.14Å; V607-I611 HydrophobicContact CG1-CG1 4.26Å; V607-I611 WeakPolarHBondContact O-CG1 3.26Å; V607-I611 PolarHBondContact O-N 2.9Å
608W94.3Very high90.8Very high11 Ų1133 Ų334%0.04219%0.191CC..Hα-helixtrans-60-30.7174.7-62.3122.4000113.2T412 F416 F548 F551 L552 V555 I605 G606 I611 L612T412-W608 HydrophobicContact CG2-CD2 4.02Å; T412-W608 HydrophobicContact CG2-CE3 4.23Å; T412-W608 HydrophobicContact CG2-CH2 3.93Å; T412-W608 HydrophobicContact CG2-CZ2 3.69Å; T412-W608 HydrophobicContact CG2-CZ3 4.19Å; F416-W608 HydrophobicContact CB-CZ3 4.44Å; F416-W608 HydrophobicContact CD2-CZ3 4.21Å; F548-W608 HydrophobicContact CD2-CH2 4.11Å; F548-W608 AromaticContact CD2-CZ2 3.47Å; F548-W608 HydrophobicContact CD2-CZ2 3.47Å; F548-W608 VanDerWaalsContact CD2-CZ2 3.47Å; F548-W608 AromaticContact CE2-CH2 3.62Å; F548-W608 HydrophobicContact CE2-CH2 3.62Å; F548-W608 AromaticContact CE2-CZ2 3.47Å; F548-W608 HydrophobicContact CE2-CZ2 3.47Å; F548-W608 VanDerWaalsContact CE2-CZ2 3.47Å; F548-W608 HydrophobicContact CG-CZ2 4.41Å; F548-W608 HydrophobicContact CZ-CH2 4.27Å; F548-W608 HydrophobicContact CZ-CZ2 4.42Å; F551-W608 HydrophobicContact CB-CD2 4.09Å; F551-W608 VanDerWaalsContact CB-CE2 3.41Å; F551-W608 HydrophobicContact CB-CG 4.47Å; F551-W608 HydrophobicContact CB-CH2 4.27Å; F551-W608 HydrophobicContact CB-CZ2 3.5Å; F551-W608 AromaticContact CD1-CD1 3.82Å; F551-W608 HydrophobicContact CD1-CG 4.2Å; F551-W608 AromaticContact CD2-NE1 3.83Å; F551-W608 AromaticContact CG-CD1 3.78Å; F551-W608 AromaticContact CG-CE2 4Å; F551-W608 HydrophobicContact CG-CG 4.41Å; F551-W608 AromaticContact CG-NE1 3.53Å; L552-W608 HydrophobicContact CB-CH2 3.85Å; L552-W608 HydrophobicContact CD1-CH2 4.04Å; L552-W608 HydrophobicContact CD1-CZ3 4.4Å; V555-W608 HydrophobicContact CB-CE3 4.19Å; V555-W608 HydrophobicContact CB-CZ3 4.13Å; V555-W608 HydrophobicContact CG1-CE3 4.17Å; V555-W608 HydrophobicContact CG1-CZ3 4.21Å; V555-W608 HydrophobicContact CG2-CD2 4.34Å; V555-W608 HydrophobicContact CG2-CE3 3.73Å; V555-W608 HydrophobicContact CG2-CZ3 4.12Å; I605-W608 HydrophobicContact CD1-CB 3.94Å; I605-W608 HydrophobicContact CG1-CB 4.13Å; I605-W608 VanDerWaalsContact O-CD1 3.24Å; G606-W608 PolarHBondContact O-N 2.89Å; W608-I611 HydrophobicContact CD2-CD1 4.49Å; W608-I611 HydrophobicContact CE3-CD1 3.7Å; W608-I611 HydrophobicContact CE3-CG2 4.49Å; W608-I611 HydrophobicContact CZ3-CD1 3.97Å; W608-I611 PolarHBondContact O-N 2.99Å; W608-L612 WeakPolarHBondContact O-CB 3.3Å; W608-L612 WeakPolarHBondContact O-CD1 3.37Å; W608-L612 WeakPolarHBondContact O-CG 3.33Å; W608-L612 PolarHBondContact O-N 2.85Å
609I93Very high90.9Very high20 Ų2031.2 Ų31.210%0.10318%0.18CC..Hα-helixtrans-63.2-47.7174-59.8-176000110.2M279 L286 T604 I605 G606 V607 I611 L612 E613M279-I609 HydrophobicContact CE-CG2 4.26Å; L286-I609 HydrophobicContact CD2-CD1 3.75Å; T604-I609 WeakPolarHBondContact OG1-CD1 3.48Å; I605-I609 HydrophobicContact CD1-CG1 3.68Å; I605-I609 HydrophobicContact CG1-CD1 3.99Å; I605-I609 HydrophobicContact CG1-CG1 3.36Å; G606-I609 PolarHBondContact O-N 3.42Å; G606-I609 VanDerWaalsContact O-N 3.16Å; V607-I609 PolarHBondContact O-N 2.83Å; I609-I611 VanDerWaalsContact C-N 3.32Å; I609-I611 PolarHBondContact O-N 2.69Å; I609-L612 PolarHBondContact O-N 3.29Å; I609-E613 PolarHBondContact O-N 2.89Å
610D93.4Very high90.9Very high105 Ų10531.7 Ų31.756%0.56118%0.183SC*.Hα-helixtrans-64-40.6-179.4-52.3-41.2000110.8V607 E613 A614V607-D610 PolarHBondContact O-N 2.84Å; V607-D610 VanDerWaalsContact O-N 3.16Å; D610-E613 PolarHBondContact O-N 3.4Å; D610-A614 WeakPolarHBondContact O-CB 3.43Å; D610-A614 PolarHBondContact O-N 3.28Å
611I95.3Very high91.1Very high12 Ų1231.4 Ų31.46%0.06218%0.184CC..Hα-helixtrans-62.2-48.7175.1-71.5167.4000111.1T412 F416 V555 V607 W608 I609 E613 A614 V615T412-I611 HydrophobicContact CG2-CD1 4Å; F416-I611 HydrophobicContact CB-CD1 3.98Å; F416-I611 HydrophobicContact CD1-CD1 4.12Å; F416-I611 HydrophobicContact CD1-CG1 4.13Å; F416-I611 HydrophobicContact CD1-CG2 3.67Å; F416-I611 HydrophobicContact CD2-CG2 3.89Å; F416-I611 HydrophobicContact CE1-CG2 3.43Å; F416-I611 VanDerWaalsContact CE1-CG2 3.43Å; F416-I611 HydrophobicContact CE2-CG2 3.65Å; F416-I611 HydrophobicContact CG-CD1 3.97Å; F416-I611 HydrophobicContact CG-CG1 4.45Å; F416-I611 HydrophobicContact CG-CG2 3.9Å; F416-I611 HydrophobicContact CZ-CG2 3.41Å; F416-I611 VanDerWaalsContact CZ-CG2 3.41Å; V555-I611 HydrophobicContact CG1-CG2 3.79Å; V607-I611 HydrophobicContact CG1-CD1 4.14Å; V607-I611 HydrophobicContact CG1-CG1 4.26Å; V607-I611 WeakPolarHBondContact O-CG1 3.26Å; V607-I611 PolarHBondContact O-N 2.9Å; W608-I611 HydrophobicContact CD2-CD1 4.49Å; W608-I611 HydrophobicContact CE3-CD1 3.7Å; W608-I611 HydrophobicContact CE3-CG2 4.49Å; W608-I611 HydrophobicContact CZ3-CD1 3.97Å; W608-I611 PolarHBondContact O-N 2.99Å; I609-I611 VanDerWaalsContact C-N 3.32Å; I609-I611 PolarHBondContact O-N 2.69Å; I611-E613 VanDerWaalsContact C-N 3.28Å; I611-E613 PolarHBondContact O-N 3.42Å; I611-A614 PolarHBondContact O-N 3.07Å; I611-V615 HydrophobicContact CG2-CG2 4.41Å; I611-V615 WeakPolarHBondContact O-CB 3.23Å; I611-V615 VanDerWaalsContact O-CG2 3.31Å; I611-V615 WeakPolarHBondContact O-CG2 3.46Å; I611-V615 PolarHBondContact O-N 3.34Å
612L93.9Very high91.5Very high0 Ų029.8 Ų29.80%018%0.177CC..Hα-helixtrans-62-37.8179.2-73.6167.6000111.7W191 M279 V555 F558 I605 W608 I609 V615 G616W191-L612 HydrophobicContact CZ2-CD1 4.08Å; W191-L612 HydrophobicContact CZ2-CD2 4.25Å; M279-L612 HydrophobicContact CE-CB 3.54Å; M279-L612 HydrophobicContact CE-CD1 4.31Å; M279-L612 HydrophobicContact SD-CB 3.7Å; M279-L612 HydrophobicContact SD-CD1 4.31Å; V555-L612 HydrophobicContact CG1-CD2 4.13Å; V555-L612 HydrophobicContact CG2-CD2 4.22Å; F558-L612 HydrophobicContact CB-CD2 4.24Å; F558-L612 HydrophobicContact CD1-CD2 3.31Å; F558-L612 HydrophobicContact CD2-CD2 4.41Å; F558-L612 HydrophobicContact CE1-CD2 3.61Å; F558-L612 HydrophobicContact CG-CD2 3.74Å; F558-L612 HydrophobicContact CZ-CD2 4.27Å; I605-L612 HydrophobicContact CD1-CD1 4.34Å; W608-L612 WeakPolarHBondContact O-CB 3.3Å; W608-L612 WeakPolarHBondContact O-CD1 3.37Å; W608-L612 WeakPolarHBondContact O-CG 3.33Å; W608-L612 PolarHBondContact O-N 2.85Å; I609-L612 PolarHBondContact O-N 3.29Å; L612-V615 PolarHBondContact O-N 2.63Å; L612-G616 PolarHBondContact O-N 3.35Å
613E91.4Very high91.7Very high62 Ų6229.8 Ų29.829%0.2918%0.178SC..Hα-helixtrans-67.2-42.9175.6-178.8159.3-175.600112.1K283 I609 D610 I611 G616 V617 K730K283-E613 IonicContact NZ-OE2 2.72Å; K283-E613 PolarHBondContact NZ-OE2 3.35Å; I609-E613 PolarHBondContact O-N 2.89Å; D610-E613 PolarHBondContact O-N 3.4Å; I611-E613 VanDerWaalsContact C-N 3.28Å; I611-E613 PolarHBondContact O-N 3.42Å; E613-G616 PolarHBondContact O-N 2.98Å; E613-V617 PolarHBondContact O-N 2.88Å; E613-V617 VanDerWaalsContact O-N 3.09Å; E613-K730 IonicContact OE1-NZ 3.38Å; E613-K730 PolarHBondContact OE1-NZ 2.93Å
614A93.1Very high91.8Very high62 Ų6227.4 Ų27.451%0.51217%0.165SC..Hα-helixtrans-61.8-42.5174.400000111.9D610 I611 G616 V617 L618D610-A614 WeakPolarHBondContact O-CB 3.43Å; D610-A614 PolarHBondContact O-N 3.28Å; I611-A614 PolarHBondContact O-N 3.07Å; A614-G616 VanDerWaalsContact C-N 3.32Å; A614-G616 PolarHBondContact O-N 3.49Å; A614-V617 PolarHBondContact O-N 3.43Å; A614-L618 WeakPolarHBondContact O-CB 3.38Å; A614-L618 PolarHBondContact O-N 3.27Å
615V93.9Very high92Very high4 Ų428.3 Ų28.32%0.02417%0.168CC..Hα-helixtrans-61.4-40.8173.8167.20000111.2F416 F558 I563 I611 L612 V617 L618 A619F416-V615 HydrophobicContact CE1-CG2 4.43Å; F416-V615 HydrophobicContact CZ-CG2 3.77Å; F558-V615 HydrophobicContact CD1-CG1 3.96Å; F558-V615 HydrophobicContact CE1-CG1 3.98Å; I563-V615 HydrophobicContact CD1-CG1 4.16Å; I563-V615 HydrophobicContact CG1-CG1 4.23Å; I611-V615 HydrophobicContact CG2-CG2 4.41Å; I611-V615 WeakPolarHBondContact O-CB 3.23Å; I611-V615 VanDerWaalsContact O-CG2 3.31Å; I611-V615 WeakPolarHBondContact O-CG2 3.46Å; I611-V615 PolarHBondContact O-N 3.34Å; L612-V615 PolarHBondContact O-N 2.63Å; V615-V617 PolarHBondContact O-N 3.08Å; V615-L618 PolarHBondContact O-N 2.96Å; V615-A619 WeakPolarHBondContact O-CB 3.4Å; V615-A619 PolarHBondContact O-N 2.98Å
616G91.1Very high92.1Very high13 Ų1328 Ų2813%0.13417%0.166CC..Hα-helixtrans-61.8-40.3176.800000113.2L612 E613 A614 A619 V620L612-G616 PolarHBondContact O-N 3.35Å; E613-G616 PolarHBondContact O-N 2.98Å; A614-G616 VanDerWaalsContact C-N 3.32Å; A614-G616 PolarHBondContact O-N 3.49Å; G616-A619 PolarHBondContact O-N 3.45Å; G616-V620 PolarHBondContact O-N 3.49Å
617V90.1Very high92.3Very high63 Ų6327.3 Ų27.338%0.38216%0.158SC..Hα-helixtrans-66.5-46.2173.71760000110.7E613 A614 V615 A619 V620 I621E613-V617 PolarHBondContact O-N 2.88Å; E613-V617 VanDerWaalsContact O-N 3.09Å; A614-V617 PolarHBondContact O-N 3.43Å; V615-V617 PolarHBondContact O-N 3.08Å; V617-A619 VanDerWaalsContact C-N 3.25Å; V617-A619 PolarHBondContact O-N 3.38Å; V617-V620 PolarHBondContact O-N 2.91Å; V617-I621 HydrophobicContact CG1-CD1 4.47Å; V617-I621 PolarHBondContact O-N 3.06Å
618L91.9Very high92.2Very high54 Ų5426.2 Ų26.228%0.28315%0.151SC..Hα-helixtrans-60.5-36.4178.2-176.960.5000112F420 I563 A614 V615 V620 I621 V622F420-L618 HydrophobicContact CE1-CD2 4Å; F420-L618 HydrophobicContact CE2-CD2 4.09Å; F420-L618 HydrophobicContact CZ-CD2 3.37Å; I563-L618 HydrophobicContact CD1-CD2 4.05Å; I563-L618 HydrophobicContact CD1-CG 4.42Å; A614-L618 WeakPolarHBondContact O-CB 3.38Å; A614-L618 PolarHBondContact O-N 3.27Å; V615-L618 PolarHBondContact O-N 2.96Å; L618-V620 VanDerWaalsContact C-N 3.33Å; L618-V620 PolarHBondContact O-N 3.4Å; L618-I621 PolarHBondContact O-N 3.03Å; L618-V622 HydrophobicContact CD1-CG2 3.81Å; L618-V622 HydrophobicContact CG-CG2 4.01Å; L618-V622 WeakPolarHBondContact O-CB 3.37Å; L618-V622 VanDerWaalsContact O-CG2 3.3Å; L618-V622 WeakPolarHBondContact O-CG2 3.4Å; L618-V622 PolarHBondContact O-N 2.99Å
619A92.7Very high91.9Very high4 Ų427.6 Ų27.63%0.03316%0.161CC..Hα-helixtrans-62-37.7178.300000112.8I563 V615 G616 V617 N623I563-A619 HydrophobicContact CG1-CB 4.09Å; V615-A619 WeakPolarHBondContact O-CB 3.4Å; V615-A619 PolarHBondContact O-N 2.98Å; G616-A619 PolarHBondContact O-N 3.45Å; V617-A619 VanDerWaalsContact C-N 3.25Å; V617-A619 PolarHBondContact O-N 3.38Å; A619-N623 WeakPolarHBondContact O-CB 3.48Å; A619-N623 PolarHBondContact O-N 3.06Å; A619-N623 PolarHBondContact O-ND2 3.41Å
620V90.8Very high91.6Very high12 Ų1226.9 Ų26.97%0.07316%0.157CC..Hα-helixtrans-61.5-48.8175.6172.60000110.5A272 G616 V617 L618 G624 L726A272-V620 HydrophobicContact CB-CG2 4.14Å; G616-V620 PolarHBondContact O-N 3.49Å; V617-V620 PolarHBondContact O-N 2.91Å; L618-V620 VanDerWaalsContact C-N 3.33Å; L618-V620 PolarHBondContact O-N 3.4Å; V620-G624 PolarHBondContact O-N 3.35Å; V620-G624 VanDerWaalsContact O-N 3.1Å; V620-L726 HydrophobicContact CG1-CB 3.67Å; V620-L726 HydrophobicContact CG1-CD1 3.84Å; V620-L726 HydrophobicContact CG1-CG 4.43Å; V620-L726 HydrophobicContact CG2-CB 4.3Å
621I91.5Very high91.3Very high57 Ų5722 Ų2229%0.29213%0.132SC..Hα-helixtrans-63.1-49.7-178.6-60.2169.7000110.3V617 L618 G624 L625V617-I621 HydrophobicContact CG1-CD1 4.47Å; V617-I621 PolarHBondContact O-N 3.06Å; L618-I621 PolarHBondContact O-N 3.03Å; I621-G624 PolarHBondContact O-N 3.33Å; I621-L625 HydrophobicContact CG2-CD1 4Å; I621-L625 WeakPolarHBondContact O-CG 3.23Å; I621-L625 PolarHBondContact O-N 3.46Å
622V93.1Very high90.9Very high4 Ų422.7 Ų22.72%0.02414%0.136CC..Hα-helixtrans-68.3-42.1-175.4177.10000111.5F428 F432 I563 F564 L618 G624 L625 V626F428-V622 HydrophobicContact CE1-CG1 3.97Å; F428-V622 HydrophobicContact CE1-CG2 3.73Å; F428-V622 HydrophobicContact CZ-CG2 4.24Å; F432-V622 HydrophobicContact CE2-CG1 4.33Å; F432-V622 HydrophobicContact CZ-CG1 4Å; I563-V622 HydrophobicContact CG2-CB 3.7Å; I563-V622 HydrophobicContact CG2-CG1 3.52Å; I563-V622 HydrophobicContact CG2-CG2 3.91Å; I563-V622 WeakPolarHBondContact O-CG1 3.36Å; F564-V622 HydrophobicContact CD1-CG1 4.34Å; F564-V622 HydrophobicContact CE1-CG1 4.06Å; F564-V622 HydrophobicContact CZ-CG1 4.2Å; L618-V622 HydrophobicContact CD1-CG2 3.81Å; L618-V622 HydrophobicContact CG-CG2 4.01Å; L618-V622 WeakPolarHBondContact O-CB 3.37Å; L618-V622 VanDerWaalsContact O-CG2 3.3Å; L618-V622 WeakPolarHBondContact O-CG2 3.4Å; L618-V622 PolarHBondContact O-N 2.99Å; V622-G624 VanDerWaalsContact C-N 3.32Å; V622-G624 PolarHBondContact O-N 3.28Å; V622-L625 CarbonylContact O-C 3.54Å; V622-L625 PolarHBondContact O-N 3.05Å; V622-V626 HydrophobicContact CG1-CG2 4.13Å; V622-V626 WeakPolarHBondContact O-CB 3.1Å; V622-V626 VanDerWaalsContact O-CG2 3.27Å; V622-V626 WeakPolarHBondContact O-CG2 3.49Å; V622-V626 PolarHBondContact O-N 3.22Å
623N92.1Very high90.7Very high3 Ų324.1 Ų24.12%0.01614%0.142CC..Hα-helixtrans-64.1-38.9176.2-75.2-60.9000111.9T562 I563 V565 A566 A619 L625 V626 I627 F722T562-N623 PolarHBondContact O-ND2 3.38Å; I563-N623 PolarHBondContact O-OD1 3.38Å; V565-N623 WeakPolarHBondContact CG1-OD1 3.17Å; V565-N623 PolarHBondContact N-OD1 3.46Å; A566-N623 HydrophobicContact CB-CB 4.31Å; A566-N623 WeakPolarHBondContact CB-OD1 2.97Å; A566-N623 PolarHBondContact N-OD1 3.24Å; A619-N623 WeakPolarHBondContact O-CB 3.48Å; A619-N623 PolarHBondContact O-N 3.06Å; A619-N623 PolarHBondContact O-ND2 3.41Å; N623-L625 VanDerWaalsContact C-N 3.34Å; N623-V626 PolarHBondContact O-N 3Å; N623-I627 VanDerWaalsContact O-CG1 3.31Å; N623-I627 WeakPolarHBondContact O-CG1 3.48Å; N623-I627 PolarHBondContact O-N 3.37Å; N623-F722 HydrophobicContact CB-CE1 4.43Å
624G91.6Very high90.7Very high1 Ų121.2 Ų21.21%0.0113%0.128CC..Hα-helixtrans-59.2-46.2173.300000111.8V620 I621 V622 I627 G628 F722V620-G624 PolarHBondContact O-N 3.35Å; V620-G624 VanDerWaalsContact O-N 3.1Å; I621-G624 PolarHBondContact O-N 3.33Å; V622-G624 VanDerWaalsContact C-N 3.32Å; V622-G624 PolarHBondContact O-N 3.28Å; G624-I627 PolarHBondContact O-N 2.92Å; G624-G628 PolarHBondContact O-N 3.37Å; G624-F722 VanDerWaalsContact CA-CD1 3.42Å
625L92.1Very high90.6Very high56 Ų5618.4 Ų18.429%0.29311%0.105SC..Hα-helixtrans-65.8-39175.5-70.9172.1000112.9F432 I621 V622 N623 G628 V629 V719F432-L625 HydrophobicContact CD1-CB 4.41Å; F432-L625 HydrophobicContact CE1-CB 3.48Å; F432-L625 VanDerWaalsContact CE1-CB 3.48Å; F432-L625 HydrophobicContact CZ-CB 3.57Å; F432-L625 HydrophobicContact CZ-CD1 4.29Å; I621-L625 HydrophobicContact CG2-CD1 4Å; I621-L625 WeakPolarHBondContact O-CG 3.23Å; I621-L625 PolarHBondContact O-N 3.46Å; V622-L625 CarbonylContact O-C 3.54Å; V622-L625 PolarHBondContact O-N 3.05Å; N623-L625 VanDerWaalsContact C-N 3.34Å; L625-G628 PolarHBondContact O-N 3.12Å; L625-V629 HydrophobicContact CD2-CG2 4.29Å; L625-V629 WeakPolarHBondContact O-CA 3.28Å; L625-V629 WeakPolarHBondContact O-CB 2.89Å; L625-V629 WeakPolarHBondContact O-CG2 3.15Å; L625-V629 PolarHBondContact O-N 3.22Å; L625-V719 HydrophobicContact CD2-CG1 4.04Å; L625-V719 HydrophobicContact CD2-CG2 4.39Å
626V91.4Very high90.3Very high1 Ų119.6 Ų19.61%0.00611%0.109CC..Iπ-helixtrans-63.2-43.9177.8167.50000110.3F432 F564 A566 A567 V622 N623 S630 S631F432-V626 HydrophobicContact CE1-CG2 4.04Å; F432-V626 HydrophobicContact CZ-CG2 3.97Å; F564-V626 HydrophobicContact CD1-CG2 4.19Å; F564-V626 HydrophobicContact CE1-CG2 4.39Å; A566-V626 HydrophobicContact CB-CB 4.36Å; A566-V626 HydrophobicContact CB-CG1 3.94Å; A567-V626 HydrophobicContact CB-CG1 4.36Å; V622-V626 HydrophobicContact CG1-CG2 4.13Å; V622-V626 WeakPolarHBondContact O-CB 3.1Å; V622-V626 VanDerWaalsContact O-CG2 3.27Å; V622-V626 WeakPolarHBondContact O-CG2 3.49Å; V622-V626 PolarHBondContact O-N 3.22Å; N623-V626 PolarHBondContact O-N 3Å; V626-S630 CarbonylContact O-C 3.5Å; V626-S630 WeakPolarHBondContact O-CA 2.98Å; V626-S630 VanDerWaalsContact O-CB 3.29Å; V626-S630 WeakPolarHBondContact O-CB 3.3Å; V626-S630 PolarHBondContact O-N 2.96Å; V626-S631 PolarHBondContact O-N 3.19Å
627I90.3Very high90.3Very high6 Ų622 Ų223%0.03112%0.118CC..Iπ-helixtrans-70.9-43.1178.4-62.3164.7000111V265 A268 A566 N623 G624 S631 F633 F718 F722V265-I627 HydrophobicContact CG1-CD1 4.38Å; V265-I627 HydrophobicContact CG2-CG2 4.02Å; A268-I627 HydrophobicContact CB-CD1 3.75Å; A566-I627 HydrophobicContact CB-CD1 4.1Å; A566-I627 HydrophobicContact CB-CG1 3.82Å; N623-I627 VanDerWaalsContact O-CG1 3.31Å; N623-I627 WeakPolarHBondContact O-CG1 3.48Å; N623-I627 PolarHBondContact O-N 3.37Å; G624-I627 PolarHBondContact O-N 2.92Å; I627-S631 WeakPolarHBondContact O-CB 3.46Å; I627-F633 HydrophobicContact CG2-CD1 4.09Å; I627-F718 HydrophobicContact CB-CE1 3.87Å; I627-F718 HydrophobicContact CB-CZ 4.28Å; I627-F718 HydrophobicContact CG2-CE1 3.5Å; I627-F718 HydrophobicContact CG2-CZ 3.58Å; I627-F722 HydrophobicContact CD1-CE2 4.21Å; I627-F722 HydrophobicContact CD1-CZ 4.23Å
628G89.8Confident90.4Very high0 Ų019.4 Ų19.40%010%0.103CC..Iπ-helixtrans-72-43.5-17800000113.2G624 L625 R715G624-G628 PolarHBondContact O-N 3.37Å; L625-G628 PolarHBondContact O-N 3.12Å; G628-R715 WeakPolarHBondContact O-CD 3.4Å; G628-R715 WeakPolarHBondContact O-CG 3.23Å; G628-R715 PolarHBondContact O-NE 3.28Å
629V87.7Confident90.4Very high40 Ų4017.8 Ų17.824%0.2429%0.093CC..Iπ-helixtrans-97.3-53.6-171.8-176.60000111.3F432 R436 L625F432-V629 HydrophobicContact CD1-CB 4.47Å; R436-V629 PolarHBondContact NH1-O 3.46Å; R436-V629 PolarHBondContact NH2-O 3.39Å; L625-V629 HydrophobicContact CD2-CG2 4.29Å; L625-V629 WeakPolarHBondContact O-CA 3.28Å; L625-V629 WeakPolarHBondContact O-CB 2.89Å; L625-V629 WeakPolarHBondContact O-CG2 3.15Å; L625-V629 PolarHBondContact O-N 3.22Å
630S86.5Confident90.2Very high5 Ų522.4 Ų22.44%0.03511%0.109CC..Iπ-helixtrans-86-33.3-166.5-44.50000114A431 V626A431-S630 PolarHBondContact O-OG 3.45Å; V626-S630 CarbonylContact O-C 3.5Å; V626-S630 WeakPolarHBondContact O-CA 2.98Å; V626-S630 VanDerWaalsContact O-CB 3.29Å; V626-S630 WeakPolarHBondContact O-CB 3.3Å; V626-S630 PolarHBondContact O-N 2.96Å
631S87.6Confident90.1Very high4 Ų429.3 Ų29.33%0.02814%0.135CC..SBendtrans-78.9151.7177159.10000112.2D260 V626 I627 F633D260-S631 VanDerWaalsContact CG-OG 3.22Å; D260-S631 PolarHBondContact OD1-OG 3.49Å; D260-S631 PolarHBondContact OD2-OG 3.35Å; V626-S631 PolarHBondContact O-N 3.19Å; I627-S631 WeakPolarHBondContact O-CB 3.46Å; S631-F633 PolarHBondContact O-N 2.02Å; S631-F633 WeakPolarHBondContact OG-CB 3.5Å; S631-F633 PolarHBondContact OG-N 3.22Å
632D86.3Confident90Very high26 Ų2630 Ų3014%0.13914%0.142CC..SBendtrans-86.912.7171.9-79.2-21.8000111.9D260 R636 K695D260-D632 PolarHBondContact OD2-N 3.29Å; D632-R636 VanDerWaalsContact O-CB 3.32Å; D632-R636 WeakPolarHBondContact O-CB 3.21Å; D632-R636 WeakPolarHBondContact O-CG 3.36Å; D632-R636 PolarHBondContact O-N 3.33Å; D632-R636 VanDerWaalsContact O-N 3.12Å; D632-R636 PolarHBondContact O-NE 2.99Å; D632-K695 IonicContact OD1-NZ 2.63Å; D632-K695 PolarHBondContact OD1-NZ 2.9Å; D632-K695 IonicContact OD2-NZ 2.68Å; D632-K695 PolarHBondContact OD2-NZ 3.43Å
633F89.4Confident89.7Confident30 Ų3033.7 Ų33.713%0.13216%0.156CC..Hα-helixtrans-59.2-51.8177.3179.1-105.5000112.8N262 V265 I627 S631 R636 L637 F718N262-F633 WeakPolarHBondContact OD1-CE2 3.49Å; V265-F633 HydrophobicContact CG2-CD1 4.17Å; V265-F633 HydrophobicContact CG2-CD2 3.94Å; V265-F633 HydrophobicContact CG2-CE1 4.32Å; V265-F633 HydrophobicContact CG2-CE2 4.1Å; V265-F633 HydrophobicContact CG2-CG 3.98Å; V265-F633 HydrophobicContact CG2-CZ 4.29Å; I627-F633 HydrophobicContact CG2-CD1 4.09Å; S631-F633 PolarHBondContact O-N 2.02Å; S631-F633 WeakPolarHBondContact OG-CB 3.5Å; S631-F633 PolarHBondContact OG-N 3.22Å; F633-R636 PolarHBondContact O-N 3.03Å; F633-L637 WeakPolarHBondContact O-CB 3.43Å; F633-L637 PolarHBondContact O-N 3.31Å; F633-F718 HydrophobicContact CE1-CE2 4.48Å
634I91.3Very high89.4Confident1 Ų133.6 Ų33.61%0.00516%0.155CC..Hα-helixtrans-65.3-48-177.7-58-62.1000112.4R636 L637 V638 V714 R715 F718I634-R636 VanDerWaalsContact C-N 3.32Å; I634-R636 PolarHBondContact O-N 3.02Å; I634-L637 WeakPolarHBondContact O-CB 3.46Å; I634-L637 PolarHBondContact O-N 3Å; I634-L637 VanDerWaalsContact O-N 3.14Å; I634-V638 HydrophobicContact CG2-CG2 4.38Å; I634-V638 WeakPolarHBondContact O-CG2 3.26Å; I634-V638 PolarHBondContact O-N 3.18Å; I634-V714 HydrophobicContact CG2-CB 4.11Å; I634-V714 HydrophobicContact CG2-CG1 3.68Å; I634-R715 HydrophobicContact CB-CG 4.02Å; I634-R715 HydrophobicContact CG1-CG 4.36Å; I634-R715 HydrophobicContact CG2-CG 3.74Å; I634-F718 HydrophobicContact CD1-CB 3.8Å; I634-F718 HydrophobicContact CD1-CD1 4.01Å; I634-F718 HydrophobicContact CD1-CD2 3.78Å; I634-F718 HydrophobicContact CD1-CE2 4.38Å; I634-F718 HydrophobicContact CD1-CG 3.56Å; I634-F718 HydrophobicContact CG1-CD1 4.47Å; I634-F718 HydrophobicContact CG1-CG 4.41Å
635P90.7Very high89Confident2 Ų234.5 Ų34.51%0.01316%0.161CC..Hα-helixtrans-58.1-40.5174.4-25.334.3000113.9L637 V638 Y639 Y697 I711P635-L637 VanDerWaalsContact C-N 3.32Å; P635-L637 PolarHBondContact O-N 3.18Å; P635-V638 PolarHBondContact O-N 2.8Å; P635-Y639 WeakPolarHBondContact O-CB 3.27Å; P635-Y639 PolarHBondContact O-N 3.31Å; P635-Y697 WeakPolarHBondContact CB-OH 3.3Å; P635-I711 HydrophobicContact CB-CD1 4.38Å; P635-I711 HydrophobicContact CB-CG2 4.47Å; P635-I711 HydrophobicContact CG-CG2 3.99Å
636R89.4Confident88.6Confident30 Ų3033.7 Ų33.711%0.11316%0.159CC..Hα-helixtrans-62-39.8174.5-74.6-179-66.3178.43.7112D260 D632 F633 I634 R640 M657 Y660D260-R636 PolarHBondContact O-NH1 3.3Å; D260-R636 PolarHBondContact O-NH2 3.32Å; D260-R636 IonicContact OD1-NH2 2.75Å; D260-R636 PolarHBondContact OD1-NH2 3.15Å; D260-R636 IonicContact OD2-CZ 2.93Å; D260-R636 IonicContact OD2-NH2 3.63Å; D260-R636 PolarHBondContact OD2-NH2 3.37Å; D260-R636 VanDerWaalsContact OD2-NH2 3.09Å; D632-R636 VanDerWaalsContact O-CB 3.32Å; D632-R636 WeakPolarHBondContact O-CB 3.21Å; D632-R636 WeakPolarHBondContact O-CG 3.36Å; D632-R636 PolarHBondContact O-N 3.33Å; D632-R636 VanDerWaalsContact O-N 3.12Å; D632-R636 PolarHBondContact O-NE 2.99Å; F633-R636 PolarHBondContact O-N 3.03Å; I634-R636 VanDerWaalsContact C-N 3.32Å; I634-R636 PolarHBondContact O-N 3.02Å; R636-R640 WeakPolarHBondContact O-CB 3.44Å; R636-R640 PolarHBondContact O-N 2.73Å; R636-M657 HydrophobicContact CB-CE 3.7Å; R636-M657 HydrophobicContact CG-CE 3.72Å; R636-Y660 HydrophobicContact CB-CE2 4.39Å; R636-Y660 HydrophobicContact CG-CD1 4.42Å; R636-Y660 HydrophobicContact CG-CD2 4.4Å; R636-Y660 HydrophobicContact CG-CE1 3.81Å; R636-Y660 HydrophobicContact CG-CE2 3.8Å; R636-Y660 VanDerWaalsContact CG-CZ 3.46Å
637L90.4Very high88.1Confident63 Ų6337.1 Ų37.133%0.3318%0.18SC..Hα-helixtrans-64.9-47.1177.4-165.471.3000111.7F633 I634 P635 R640 Y641F633-L637 WeakPolarHBondContact O-CB 3.43Å; F633-L637 PolarHBondContact O-N 3.31Å; I634-L637 WeakPolarHBondContact O-CB 3.46Å; I634-L637 PolarHBondContact O-N 3Å; I634-L637 VanDerWaalsContact O-N 3.14Å; P635-L637 VanDerWaalsContact C-N 3.32Å; P635-L637 PolarHBondContact O-N 3.18Å; L637-R640 PolarHBondContact O-N 2.96Å; L637-Y641 HydrophobicContact CD1-CD2 3.96Å; L637-Y641 HydrophobicContact CD1-CE2 3.54Å; L637-Y641 HydrophobicContact CG-CD2 4.06Å; L637-Y641 HydrophobicContact CG-CE2 4.12Å; L637-Y641 VanDerWaalsContact O-CD2 3.29Å; L637-Y641 WeakPolarHBondContact O-CD2 3.36Å; L637-Y641 PolarHBondContact O-N 2.86Å
638V92.8Very high87.4Confident9 Ų942.8 Ų42.86%0.05521%0.211CC..Hα-helixtrans-62.2-44.4177.31740000110.4I634 P635 R640 Y641 V642 Y643 L710 I711 V714I634-V638 HydrophobicContact CG2-CG2 4.38Å; I634-V638 WeakPolarHBondContact O-CG2 3.26Å; I634-V638 PolarHBondContact O-N 3.18Å; P635-V638 PolarHBondContact O-N 2.8Å; V638-R640 PolarHBondContact O-N 2.67Å; V638-Y641 PolarHBondContact O-N 3.08Å; V638-V642 HydrophobicContact CG1-CB 4.47Å; V638-V642 HydrophobicContact CG1-CG2 4.27Å; V638-V642 VanDerWaalsContact O-CB 3.28Å; V638-V642 WeakPolarHBondContact O-CB 3.02Å; V638-V642 WeakPolarHBondContact O-CG2 3.41Å; V638-V642 PolarHBondContact O-N 2.95Å; V638-Y643 HydrophobicContact CG1-CD2 4.34Å; V638-Y643 HydrophobicContact CG1-CE2 4.09Å; V638-L710 HydrophobicContact CG1-CD2 4.04Å; V638-L710 HydrophobicContact CG1-CG 4.36Å; V638-I711 HydrophobicContact CB-CG1 4.22Å; V638-I711 HydrophobicContact CG1-CG1 4.03Å; V638-I711 HydrophobicContact CG2-CG1 4.35Å; V638-V714 HydrophobicContact CG2-CB 4.09Å; V638-V714 HydrophobicContact CG2-CG1 4.05Å; V638-V714 HydrophobicContact CG2-CG2 4.05Å
639Y90.6Very high86.5Confident19 Ų1946 Ų468%0.07524%0.244CC..Iπ-helixtrans-57.6-52.1176-177.5-102.8000111.3P635 Y641 V642 Y643 G644 M657 S658 G659 Y660 N663P635-Y639 WeakPolarHBondContact O-CB 3.27Å; P635-Y639 PolarHBondContact O-N 3.31Å; Y639-Y641 VanDerWaalsContact C-N 3.27Å; Y639-Y641 PolarHBondContact O-N 3.44Å; Y639-V642 PolarHBondContact O-N 3.47Å; Y639-Y643 CarbonylContact O-C 3.55Å; Y639-Y643 PolarHBondContact O-N 3.04Å; Y639-G644 WeakPolarHBondContact O-CA 3.42Å; Y639-G644 PolarHBondContact O-N 3.42Å; Y639-M657 HydrophobicContact CD1-CE 4.33Å; Y639-S658 PolarHBondContact OH-O 3.16Å; Y639-S658 VanDerWaalsContact OH-O 3.14Å; Y639-G659 VanDerWaalsContact OH-C 3.23Å; Y639-G659 PolarHBondContact OH-O 3.02Å; Y639-Y660 AromaticContact CD1-CD2 3.72Å; Y639-Y660 HydrophobicContact CD1-CD2 3.72Å; Y639-Y660 HydrophobicContact CD1-CG 4.33Å; Y639-Y660 HydrophobicContact CD2-CD2 4.23Å; Y639-Y660 HydrophobicContact CE1-CD2 4.4Å; Y639-Y660 AromaticContact CG-CD2 3.61Å; Y639-Y660 HydrophobicContact CG-CD2 3.61Å; Y639-Y660 HydrophobicContact CG-CE2 4.37Å; Y639-N663 HydrophobicContact CD2-CB 4.26Å; Y639-N663 VanDerWaalsContact CD2-ND2 3.3Å; Y639-N663 WeakPolarHBondContact CD2-ND2 3.04Å; Y639-N663 HydrophobicContact CE2-CB 3.65Å; Y639-N663 WeakPolarHBondContact CE2-ND2 3.48Å
640R88.8Confident85.4Confident102 Ų10247.4 Ų47.439%0.38525%0.253SS..Iπ-helixtrans-54.5-39.8-178.7-179.2173.2178.6154.42.4113.7R636 L637 V638 C656 M657R636-R640 WeakPolarHBondContact O-CB 3.44Å; R636-R640 PolarHBondContact O-N 2.73Å; L637-R640 PolarHBondContact O-N 2.96Å; V638-R640 PolarHBondContact O-N 2.67Å; R640-C656 HydrophobicContact CG-CB 4.17Å; R640-M657 HydrophobicContact CB-SD 3.96Å; R640-M657 HydrophobicContact CG-SD 4.49Å
641Y89.3Confident84.1Confident157 Ų15750 Ų5062%0.61628%0.275SS*.Iπ-helixtrans-98.5-14.6-173.2-71.8-65.1000115.1L637 V638 Y639 V647L637-Y641 HydrophobicContact CD1-CD2 3.96Å; L637-Y641 HydrophobicContact CD1-CE2 3.54Å; L637-Y641 HydrophobicContact CG-CD2 4.06Å; L637-Y641 HydrophobicContact CG-CE2 4.12Å; L637-Y641 VanDerWaalsContact O-CD2 3.29Å; L637-Y641 WeakPolarHBondContact O-CD2 3.36Å; L637-Y641 PolarHBondContact O-N 2.86Å; V638-Y641 PolarHBondContact O-N 3.08Å; Y639-Y641 VanDerWaalsContact C-N 3.27Å; Y639-Y641 PolarHBondContact O-N 3.44Å; Y641-V647 WeakPolarHBondContact O-CG2 3.22Å
642V89.8Confident82.8Confident70 Ų7053.7 Ų53.742%0.42431%0.312SS..Iπ-helixtrans-120.5-38.2-175.3-175.50000112.9V638 Y639 L710V638-V642 HydrophobicContact CG1-CB 4.47Å; V638-V642 HydrophobicContact CG1-CG2 4.27Å; V638-V642 VanDerWaalsContact O-CB 3.28Å; V638-V642 WeakPolarHBondContact O-CB 3.02Å; V638-V642 WeakPolarHBondContact O-CG2 3.41Å; V638-V642 PolarHBondContact O-N 2.95Å; Y639-V642 PolarHBondContact O-N 3.47Å; V642-L710 HydrophobicContact CG1-CD2 4.23Å; V642-L710 HydrophobicContact CG2-CD2 4.46Å
643Y87.1Confident81.6Confident83 Ų8359.1 Ų59.133%0.32535%0.347SS..Iπ-helixtrans-120.2-20.7-168.9-62.7-74.9000114.5V638 Y639 Q707 L710V638-Y643 HydrophobicContact CG1-CD2 4.34Å; V638-Y643 HydrophobicContact CG1-CE2 4.09Å; Y639-Y643 CarbonylContact O-C 3.55Å; Y639-Y643 PolarHBondContact O-N 3.04Å; Y643-Q707 HydrophobicContact CE2-CB 4.42Å; Y643-Q707 HydrophobicContact CE2-CG 3.82Å; Y643-L710 HydrophobicContact CE2-CD2 4.29Å
644G85.6Confident80.7Confident0 Ų060 Ų600%036%0.356CS..SBendtrans-78.1170.1-170.300000114.2Y639 C646 V647Y639-G644 WeakPolarHBondContact O-CA 3.42Å; Y639-G644 PolarHBondContact O-N 3.42Å; G644-C646 PolarHBondContact O-N 3.32Å; G644-V647 PolarHBondContact O-N 3.35Å
645P83.5Confident80.1Confident20 Ų2063.1 Ų63.113%0.1337%0.373CS..THydrogen-bonded Turntrans-53.1-29.6-179.2-25.933.5000114.3V647 N648 G649 T650 C656P645-V647 VanDerWaalsContact C-N 3.27Å; P645-V647 PolarHBondContact O-N 3.17Å; P645-N648 PolarHBondContact O-N 2.96Å; P645-G649 PolarHBondContact O-N 3.36Å; P645-T650 WeakPolarHBondContact CB-OG1 3.32Å; P645-T650 PolarHBondContact O-N 3.22Å; P645-T650 PolarHBondContact O-OG1 3.47Å; P645-T650 VanDerWaalsContact O-OG1 3.07Å; P645-C656 WeakPolarHBondContact CD-O 3.3Å
646C81.9Confident79.8Confident39 Ų3964.1 Ų64.126%0.26438%0.38SS..THydrogen-bonded Turntrans-71.2-16.7-178.7-72.50000114.7G644 A651 C656G644-C646 PolarHBondContact O-N 3.32Å; C646-A651 HydrophobicContact CB-CB 4.38Å; C646-C656 HydrophobicContact CB-CB 3.85Å; C646-C656 WeakPolarHBondContact CB-SG 3.42Å; C646-C656 WeakPolarHBondContact SG-CA 3.49Å; C646-C656 WeakPolarHBondContact SG-CB 3.26Å; C646-C656 CovalentContact SG-SG 2.02Å; C646-C656 PolarHBondContact SG-SG 3.41Å
647V81.5Confident79.6Confident73 Ų7363.7 Ų63.744%0.44238%0.379SS..THydrogen-bonded Turntrans-81.9-35170.6-178.20000111Y641 G644 P645 G649Y641-V647 WeakPolarHBondContact O-CG2 3.22Å; G644-V647 PolarHBondContact O-N 3.35Å; P645-V647 VanDerWaalsContact C-N 3.27Å; P645-V647 PolarHBondContact O-N 3.17Å; V647-G649 PolarHBondContact O-N 3.02Å
648N75.9Confident79.4Confident126 Ų12662.4 Ų62.467%0.67438%0.376SS*.THydrogen-bonded Turntrans-824.4-176.4-65.2-17.5000113.6P645 T650P645-N648 PolarHBondContact O-N 2.96Å; N648-T650 PolarHBondContact O-N 3.06Å
649G70.3Confident79.2Confident67 Ų6763.5 Ų63.569%0.69139%0.388SS*.THydrogen-bonded Turntrans80.47.1176.300000115.6P645 V647 A651P645-G649 PolarHBondContact O-N 3.36Å; V647-G649 PolarHBondContact O-N 3.02Å; G649-A651 VanDerWaalsContact C-N 3.3Å; G649-A651 PolarHBondContact O-N 3.01Å
650T66.1Low79.1Confident70 Ų7062.9 Ų62.943%0.42939%0.386SS..  trans-89.913.8179.452.70000114P645 N648 G652 V653P645-T650 WeakPolarHBondContact CB-OG1 3.32Å; P645-T650 PolarHBondContact O-N 3.22Å; P645-T650 PolarHBondContact O-OG1 3.47Å; P645-T650 VanDerWaalsContact O-OG1 3.07Å; N648-T650 PolarHBondContact O-N 3.06Å; T650-G652 PolarHBondContact O-N 3.43Å; T650-V653 PolarHBondContact O-N 3.26Å
651A59.2Low79.1Confident60 Ų6059.5 Ų59.550%0.49638%0.375SS..THydrogen-bonded Turntrans-58.6-15.3-174.100000115.6C646 G649C646-A651 HydrophobicContact CB-CB 4.38Å; G649-A651 VanDerWaalsContact C-N 3.3Å; G649-A651 PolarHBondContact O-N 3.01Å
652G60.1Low79Confident80 Ų8057.9 Ų57.983%0.82538%0.377SS*.THydrogen-bonded Turntrans-83.6-12.9177.100000115.2T650T650-G652 PolarHBondContact O-N 3.43Å
653V61.3Low78.9Confident141 Ų14157.4 Ų57.486%0.85537%0.372SS*.THydrogen-bonded Turntrans-114.4-29.6-170.7-175.40000113.1T650T650-V653 PolarHBondContact O-N 3.26Å
654S69.4Low79Confident47 Ų4753.7 Ų53.733%0.32936%0.358SS..SBendtrans-138.8155.3-179.561.60000111.8
655D79.4Confident79.1Confident68 Ų6855 Ų5536%0.36437%0.365SS..  trans-59.4145.2173.3-166.5-34.4000110.3P221 M657 S658P221-D655 HydrophobicContact CB-CB 4.42Å; P221-D655 WeakPolarHBondContact CD-OD2 3.13Å; P221-D655 HydrophobicContact CG-CB 4.08Å; P221-D655 WeakPolarHBondContact CG-OD2 3.42Å; D655-M657 PolarHBondContact O-N 3.17Å; D655-M657 VanDerWaalsContact O-N 3.11Å; D655-M657 PolarHBondContact OD1-N 2.01Å; D655-S658 WeakPolarHBondContact O-CB 3.35Å; D655-S658 PolarHBondContact O-N 2.74Å; D655-S658 VanDerWaalsContact O-N 3.15Å; D655-S658 PolarHBondContact O-OG 3Å
656C83.6Confident79.4Confident23 Ų2354.5 Ų54.516%0.15536%0.362CS..THydrogen-bonded Turntrans-60-19.9178-65.10000114R640 P645 C646R640-C656 HydrophobicContact CG-CB 4.17Å; P645-C656 WeakPolarHBondContact CD-O 3.3Å; C646-C656 HydrophobicContact CB-CB 3.85Å; C646-C656 WeakPolarHBondContact CB-SG 3.42Å; C646-C656 WeakPolarHBondContact SG-CA 3.49Å; C646-C656 WeakPolarHBondContact SG-CB 3.26Å; C646-C656 CovalentContact SG-SG 2.02Å; C646-C656 PolarHBondContact SG-SG 3.41Å
657M85.1Confident79.8Confident20 Ų2056.1 Ų56.110%0.09937%0.37CS..THydrogen-bonded Turntrans-96.9-0.8-178.7-65.3-56.5-56.200113.6P221 L222 R636 Y639 R640 D655 Y660P221-M657 HydrophobicContact CG-CB 3.88Å; L222-M657 HydrophobicContact CD2-CB 4.37Å; L222-M657 HydrophobicContact CD2-CE 4.12Å; R636-M657 HydrophobicContact CB-CE 3.7Å; R636-M657 HydrophobicContact CG-CE 3.72Å; Y639-M657 HydrophobicContact CD1-CE 4.33Å; R640-M657 HydrophobicContact CB-SD 3.96Å; R640-M657 HydrophobicContact CG-SD 4.49Å; D655-M657 PolarHBondContact O-N 3.17Å; D655-M657 VanDerWaalsContact O-N 3.11Å; D655-M657 PolarHBondContact OD1-N 2.01Å; M657-Y660 HydrophobicContact CE-CD2 4.02Å; M657-Y660 HydrophobicContact CE-CG 4.03Å; M657-Y660 VanDerWaalsContact O-CB 3.3Å; M657-Y660 WeakPolarHBondContact O-CB 3.34Å; M657-Y660 PolarHBondContact O-N 3.39Å
658S86.8Confident80.1Confident37 Ų3752.7 Ų52.726%0.25935%0.35SS..THydrogen-bonded Turntrans-65133.3177.4-64.20000111.6E225 Y639 D655E225-S658 VanDerWaalsContact OE1-CA 3.25Å; E225-S658 WeakPolarHBondContact OE1-CA 3.47Å; Y639-S658 PolarHBondContact OH-O 3.16Å; Y639-S658 VanDerWaalsContact OH-O 3.14Å; D655-S658 WeakPolarHBondContact O-CB 3.35Å; D655-S658 PolarHBondContact O-N 2.74Å; D655-S658 VanDerWaalsContact O-N 3.15Å; D655-S658 PolarHBondContact O-OG 3Å
659G87.1Confident80.6Confident31 Ų3149.3 Ų49.332%0.3234%0.336SS..THydrogen-bonded Turntrans86.34.9-177.300000114.6E225 Y639 N663E225-G659 PolarHBondContact OE1-N 3.49Å; Y639-G659 VanDerWaalsContact OH-C 3.23Å; Y639-G659 PolarHBondContact OH-O 3.02Å; G659-N663 WeakPolarHBondContact O-CB 3.25Å; G659-N663 PolarHBondContact O-N 3.16Å
660Y89.3Confident81.1Confident7 Ų748.1 Ų48.13%0.02731%0.313CS..Hα-helixtrans-63.2-46.6-177.9172.9-100.8000112.1L222 E225 R636 Y639 M657 N662 N663 T664L222-Y660 HydrophobicContact CD2-CD1 3.43Å; L222-Y660 VanDerWaalsContact CD2-CD1 3.43Å; L222-Y660 HydrophobicContact CD2-CE1 4.32Å; L222-Y660 HydrophobicContact CD2-CG 3.85Å; E225-Y660 PolarHBondContact OE2-N 3.48Å; R636-Y660 HydrophobicContact CB-CE2 4.39Å; R636-Y660 HydrophobicContact CG-CD1 4.42Å; R636-Y660 HydrophobicContact CG-CD2 4.4Å; R636-Y660 HydrophobicContact CG-CE1 3.81Å; R636-Y660 HydrophobicContact CG-CE2 3.8Å; R636-Y660 VanDerWaalsContact CG-CZ 3.46Å; Y639-Y660 AromaticContact CD1-CD2 3.72Å; Y639-Y660 HydrophobicContact CD1-CD2 3.72Å; Y639-Y660 HydrophobicContact CD1-CG 4.33Å; Y639-Y660 HydrophobicContact CD2-CD2 4.23Å; Y639-Y660 HydrophobicContact CE1-CD2 4.4Å; Y639-Y660 AromaticContact CG-CD2 3.61Å; Y639-Y660 HydrophobicContact CG-CD2 3.61Å; Y639-Y660 HydrophobicContact CG-CE2 4.37Å; M657-Y660 HydrophobicContact CE-CD2 4.02Å; M657-Y660 HydrophobicContact CE-CG 4.03Å; M657-Y660 VanDerWaalsContact O-CB 3.3Å; M657-Y660 WeakPolarHBondContact O-CB 3.34Å; M657-Y660 PolarHBondContact O-N 3.39Å; Y660-N662 PolarHBondContact O-N 3.03Å; Y660-N663 PolarHBondContact O-N 3.24Å; Y660-T664 HydrophobicContact CD1-CG2 4.16Å; Y660-T664 HydrophobicContact CD2-CG2 3.98Å; Y660-T664 HydrophobicContact CE1-CG2 3.78Å; Y660-T664 HydrophobicContact CE2-CG2 3.56Å; Y660-T664 HydrophobicContact CG-CG2 4.27Å; Y660-T664 VanDerWaalsContact CZ-CG2 3.45Å; Y660-T664 WeakPolarHBondContact O-CG2 3.44Å; Y660-T664 PolarHBondContact O-N 3.46Å; Y660-T664 VanDerWaalsContact O-N 3.08Å; Y660-T664 PolarHBondContact O-OG1 3.37Å
661I88.3Confident81.8Confident30 Ų3049.2 Ų49.215%0.15433%0.329CS..Hα-helixtrans-63-46.2-175.1-63.3-65000110.2E225 V226 L246 N663 T664 L665E225-I661 HydrophobicContact CB-CB 4.28Å; E225-I661 HydrophobicContact CB-CG1 3.97Å; E225-I661 WeakPolarHBondContact OE2-CB 3.38Å; E225-I661 WeakPolarHBondContact OE2-CG1 3.24Å; E225-I661 PolarHBondContact OE2-N 3.43Å; V226-I661 HydrophobicContact CG2-CD1 3.87Å; V226-I661 HydrophobicContact CG2-CG1 3.99Å; L246-I661 HydrophobicContact CD2-CG2 3.72Å; I661-N663 VanDerWaalsContact C-N 3.3Å; I661-N663 PolarHBondContact O-N 3.22Å; I661-T664 PolarHBondContact O-N 3.45Å; I661-T664 PolarHBondContact O-OG1 2.89Å; I661-L665 HydrophobicContact CG2-CD1 3.98Å; I661-L665 VanDerWaalsContact O-CG 3.31Å; I661-L665 WeakPolarHBondContact O-CG 3.43Å; I661-L665 PolarHBondContact O-N 3.39Å
662N87.8Confident82.8Confident124 Ų12448 Ų4866%0.66331%0.314SS*.Hα-helixtrans-60.4-39.2177.9-164.222.3000112.2Y660 T664 L665Y660-N662 PolarHBondContact O-N 3.03Å; N662-T664 VanDerWaalsContact C-N 3.28Å; N662-T664 PolarHBondContact O-N 3.11Å; N662-L665 PolarHBondContact O-N 3.41Å
663N87.8Confident83.7Confident59 Ų5949.4 Ų49.432%0.31631%0.311SS..Hα-helixtrans-70.4-20.5177.1-172.266.8000114.1Y639 G659 Y660 I661 Q707Y639-N663 HydrophobicContact CD2-CB 4.26Å; Y639-N663 VanDerWaalsContact CD2-ND2 3.3Å; Y639-N663 WeakPolarHBondContact CD2-ND2 3.04Å; Y639-N663 HydrophobicContact CE2-CB 3.65Å; Y639-N663 WeakPolarHBondContact CE2-ND2 3.48Å; G659-N663 WeakPolarHBondContact O-CB 3.25Å; G659-N663 PolarHBondContact O-N 3.16Å; Y660-N663 PolarHBondContact O-N 3.24Å; I661-N663 VanDerWaalsContact C-N 3.3Å; I661-N663 PolarHBondContact O-N 3.22Å; N663-Q707 PolarHBondContact ND2-NE2 2.68Å
664T88.8Confident84.6Confident5 Ų547.5 Ų47.53%0.03129%0.289CS..THydrogen-bonded Turntrans-90.3-6.6-18061.30000113.9Y660 I661 N662 Y697Y660-T664 HydrophobicContact CD1-CG2 4.16Å; Y660-T664 HydrophobicContact CD2-CG2 3.98Å; Y660-T664 HydrophobicContact CE1-CG2 3.78Å; Y660-T664 HydrophobicContact CE2-CG2 3.56Å; Y660-T664 HydrophobicContact CG-CG2 4.27Å; Y660-T664 VanDerWaalsContact CZ-CG2 3.45Å; Y660-T664 WeakPolarHBondContact O-CG2 3.44Å; Y660-T664 PolarHBondContact O-N 3.46Å; Y660-T664 VanDerWaalsContact O-N 3.08Å; Y660-T664 PolarHBondContact O-OG1 3.37Å; I661-T664 PolarHBondContact O-N 3.45Å; I661-T664 PolarHBondContact O-OG1 2.89Å; N662-T664 VanDerWaalsContact C-N 3.28Å; N662-T664 PolarHBondContact O-N 3.11Å; T664-Y697 HydrophobicContact CG2-CE1 4.33Å
665L88.8Confident85.2Confident29 Ų2945.8 Ų45.815%0.15228%0.277CS..EExtended strand (participates in β ladder)trans-100.9130.6-176.5-67.3167.9000110.2T231 M233 L246 I661 N662 K695T231-L665 HydrophobicContact CG2-CD1 4.29Å; M233-L665 HydrophobicContact CE-CD1 3.56Å; M233-L665 HydrophobicContact CE-CD2 3.58Å; M233-L665 HydrophobicContact CE-CG 4.2Å; M233-L665 HydrophobicContact SD-CD2 4.04Å; L246-L665 HydrophobicContact CD2-CD1 4.32Å; I661-L665 HydrophobicContact CG2-CD1 3.98Å; I661-L665 VanDerWaalsContact O-CG 3.31Å; I661-L665 WeakPolarHBondContact O-CG 3.43Å; I661-L665 PolarHBondContact O-N 3.39Å; N662-L665 PolarHBondContact O-N 3.41Å; L665-K695 HydrophobicContact CD2-CB 4.46Å
666S89.4Confident85Confident8 Ų851.2 Ų51.26%0.05630%0.297CS..EExtended strand (participates in β ladder)trans-96.5146167.2-70.80000109.6S693 Y694 D696 R698S666-S693 CarbonylContact O-C 3.59Å; S666-S693 WeakPolarHBondContact O-CA 3.3Å; S666-Y694 PolarHBondContact N-O 3.08Å; S666-Y694 WeakPolarHBondContact O-CD1 3.4Å; S666-Y694 PolarHBondContact O-N 3.46Å; S666-D696 PolarHBondContact OG-O 3.07Å; S666-R698 PolarHBondContact OG-N 3.42Å; S666-R698 PolarHBondContact OG-O 3.44Å
667V89.6Confident84.9Confident73 Ų7351.1 Ų51.144%0.44229%0.294SS..EExtended strand (participates in β ladder)trans-103.3125.6-179.3-177.40000109.9
668A88.3Confident84.5Confident1 Ų154.4 Ų54.41%0.00831%0.312CS..EExtended strand (participates in β ladder)trans-100.6122.9168.700000109.5P441 S691 C692 Y694 F702P441-A668 HydrophobicContact CB-CB 3.98Å; P441-A668 HydrophobicContact CG-CB 4.01Å; A668-S691 WeakPolarHBondContact O-CA 3.29Å; A668-C692 PolarHBondContact N-O 3.18Å; A668-C692 PolarHBondContact O-N 3.23Å; A668-Y694 HydrophobicContact CB-CD1 4.07Å; A668-Y694 HydrophobicContact CB-CE1 3.93Å; A668-F702 HydrophobicContact CB-CE1 4.08Å; A668-F702 HydrophobicContact CB-CZ 4.1Å
669S85.8Confident84Confident55 Ų5559 Ų5939%0.38533%0.329SS..EExtended strand (participates in β ladder)trans-92137176.4-179.30000111A671 D672S669-A671 PolarHBondContact O-N 2.93Å; S669-A671 WeakPolarHBondContact OG-CB 3.5Å; S669-A671 PolarHBondContact OG-N 3.49Å; S669-D672 PolarHBondContact O-N 3.16Å
670M81.6Confident83.5Confident42 Ų4260.5 Ų60.521%0.20734%0.335CS..THydrogen-bonded Turntrans-67.7-11.5171.7-67.3-62.3-65.200113.1D672 V675 F677 M682 T690M670-D672 VanDerWaalsContact C-N 3.26Å; M670-V675 HydrophobicContact SD-CG1 3.93Å; M670-F677 HydrophobicContact CE-CB 4.09Å; M670-F677 HydrophobicContact SD-CB 4.24Å; M670-F677 HydrophobicContact SD-CD2 3.88Å; M670-M682 HydrophobicContact CE-CG 3.98Å; M670-M682 HydrophobicContact CG-CE 3.63Å; M670-M682 HydrophobicContact CG-SD 4.45Å; M670-M682 HydrophobicContact SD-CE 3.78Å; M670-M682 HydrophobicContact SD-CG 4.02Å; M670-M682 HydrophobicContact SD-SD 3.85Å; M670-T690 WeakPolarHBondContact CB-O 3.42Å; M670-T690 WeakPolarHBondContact CG-O 3.42Å; M670-T690 PolarHBondContact N-O 2.88Å; M670-T690 VanDerWaalsContact N-O 3.08Å
671A80Confident83.1Confident93 Ų9360.3 Ų60.377%0.76933%0.334SS*.THydrogen-bonded Turntrans-72.3-19.7174.400000112.9S669S669-A671 PolarHBondContact O-N 2.93Å; S669-A671 WeakPolarHBondContact OG-CB 3.5Å; S669-A671 PolarHBondContact OG-N 3.49Å
672D81.1Confident82.8Confident34 Ų3458.9 Ų58.918%0.18233%0.327CS..SBendtrans-78.4125.4177.1-169.1-30.1000110.4S669 M670 R674 V675 F702S669-D672 PolarHBondContact O-N 3.16Å; M670-D672 VanDerWaalsContact C-N 3.26Å; D672-R674 PolarHBondContact O-N 3.06Å; D672-R674 VanDerWaalsContact O-N 3.09Å; D672-R674 WeakPolarHBondContact OD1-CB 3.41Å; D672-R674 WeakPolarHBondContact OD1-CG 3.41Å; D672-R674 PolarHBondContact OD1-N 3.21Å; D672-R674 IonicContact OD1-NE 2.8Å; D672-R674 PolarHBondContact OD1-NE 3.24Å; D672-R674 VanDerWaalsContact OD1-NE 3.16Å; D672-R674 IonicContact OD2-CZ 3.06Å; D672-R674 VanDerWaalsContact OD2-CZ 3.3Å; D672-R674 IonicContact OD2-NE 3.1Å; D672-R674 PolarHBondContact OD2-NE 3.25Å; D672-R674 IonicContact OD2-NH2 3.56Å; D672-R674 PolarHBondContact OD2-NH2 3.07Å; D672-V675 HydrophobicContact CB-CG2 4.26Å; D672-V675 PolarHBondContact O-N 3.33Å; D672-V675 VanDerWaalsContact O-N 3.07Å; D672-F702 WeakPolarHBondContact OD2-CE2 3.36Å
673S78.6Confident82.4Confident110 Ų11056.2 Ų56.277%0.76931%0.312SS*.THydrogen-bonded Turntrans-61.8-17.7-179.663.20000114.3
674R80.6Confident81.9Confident102 Ų10255 Ų5539%0.38531%0.307SS..THydrogen-bonded Turntrans-75.1-27.9176.7-63.4176.4-72.6-176.7-0.8112.2G442 D672 K676 D701G442-R674 WeakPolarHBondContact CA-O 3.38Å; D672-R674 PolarHBondContact O-N 3.06Å; D672-R674 VanDerWaalsContact O-N 3.09Å; D672-R674 WeakPolarHBondContact OD1-CB 3.41Å; D672-R674 WeakPolarHBondContact OD1-CG 3.41Å; D672-R674 PolarHBondContact OD1-N 3.21Å; D672-R674 IonicContact OD1-NE 2.8Å; D672-R674 PolarHBondContact OD1-NE 3.24Å; D672-R674 VanDerWaalsContact OD1-NE 3.16Å; D672-R674 IonicContact OD2-CZ 3.06Å; D672-R674 VanDerWaalsContact OD2-CZ 3.3Å; D672-R674 IonicContact OD2-NE 3.1Å; D672-R674 PolarHBondContact OD2-NE 3.25Å; D672-R674 IonicContact OD2-NH2 3.56Å; D672-R674 PolarHBondContact OD2-NH2 3.07Å; R674-K676 PolarHBondContact O-N 3.15Å; R674-D701 PolarHBondContact NH1-O 2.96Å; R674-D701 PolarHBondContact NH2-O 3.47Å
675V81.1Confident81.1Confident11 Ų1160.9 Ų60.97%0.06734%0.338CS..  trans-82109.9-177.3-178.70000109.8P441 M670 D672 F677 F702P441-V675 HydrophobicContact CB-CG2 4.49Å; M670-V675 HydrophobicContact SD-CG1 3.93Å; D672-V675 HydrophobicContact CB-CG2 4.26Å; D672-V675 PolarHBondContact O-N 3.33Å; D672-V675 VanDerWaalsContact O-N 3.07Å; V675-F677 HydrophobicContact CG1-CD2 3.34Å; V675-F677 HydrophobicContact CG1-CE2 3.46Å; V675-F677 VanDerWaalsContact CG1-CE2 3.46Å; V675-F677 HydrophobicContact CG1-CG 4.28Å; V675-F677 HydrophobicContact CG1-CZ 4.46Å; V675-F702 HydrophobicContact CG2-CE2 4.1Å; V675-F702 HydrophobicContact CG2-CZ 3.69Å
676K75.9Confident80.3Confident181 Ų18162.9 Ų62.979%0.78737%0.366SS*.  trans-111.466.6-175-64.1-179.2-176.2176.50112.1R674R674-K676 PolarHBondContact O-N 3.15Å
677F80.4Confident79.8Confident21 Ų2168.6 Ų68.69%0.09239%0.394CS..  trans-97145.1169.8-60.2-54.1000111.2C234 P235 P441 Y444 M670 V675 M682C234-F677 HydrophobicContact CB-CE2 4.48Å; C234-F677 HydrophobicContact CB-CZ 4.36Å; P235-F677 HydrophobicContact CG-CD1 3.57Å; P235-F677 HydrophobicContact CG-CD2 4.41Å; P235-F677 HydrophobicContact CG-CE1 3.63Å; P235-F677 HydrophobicContact CG-CE2 4.46Å; P235-F677 HydrophobicContact CG-CG 3.99Å; P235-F677 HydrophobicContact CG-CZ 4.09Å; P441-F677 HydrophobicContact CB-CE2 4.02Å; P441-F677 HydrophobicContact CB-CZ 3.89Å; Y444-F677 HydrophobicContact CE2-CE1 4.11Å; Y444-F677 HydrophobicContact CE2-CZ 4.22Å; M670-F677 HydrophobicContact CE-CB 4.09Å; M670-F677 HydrophobicContact SD-CB 4.24Å; M670-F677 HydrophobicContact SD-CD2 3.88Å; V675-F677 HydrophobicContact CG1-CD2 3.34Å; V675-F677 HydrophobicContact CG1-CE2 3.46Å; V675-F677 VanDerWaalsContact CG1-CE2 3.46Å; V675-F677 HydrophobicContact CG1-CG 4.28Å; V675-F677 HydrophobicContact CG1-CZ 4.46Å; F677-M682 HydrophobicContact CB-CG 4.43Å; F677-M682 HydrophobicContact CB-SD 4.33Å; F677-M682 HydrophobicContact CD2-SD 4.31Å
678D78.1Confident79.5Confident90 Ų9069.9 Ų69.948%0.48139%0.392SS..  trans-73.8146.5175.2-176.127.7000110.8S680 Q681D678-S680 PolarHBondContact O-N 3.11Å; D678-S680 PolarHBondContact OD2-OG 3.29Å; D678-Q681 HydrophobicContact CB-CG 4.11Å; D678-Q681 VanDerWaalsContact N-OE1 3.11Å; D678-Q681 WeakPolarHBondContact O-CB 3.41Å; D678-Q681 PolarHBondContact O-N 3.19Å
679Q76.5Confident79.3Confident134 Ų13470.6 Ų70.663%0.62640%0.397SS*.G310 helixtrans-59.1-34.1-179.4-86.1-178-23.900111.9Q681 M682 Y688Q679-Q681 PolarHBondContact O-N 3.22Å; Q679-M682 PolarHBondContact O-N 3.14Å; Q679-Y688 HydrophobicContact CG-CE2 4.25Å
680S76.6Confident79.3Confident62 Ų6272.6 Ų72.643%0.43441%0.407SS..G310 helixtrans-63.6-23.1177.772.40000113.4D678D678-S680 PolarHBondContact O-N 3.11Å; D678-S680 PolarHBondContact OD2-OG 3.29Å
681Q80.6Confident79.6Confident2 Ų273 Ų731%0.00942%0.415CS..G310 helixtrans-84.7-24.5-179.3-58.4-175.7-80.900112.6C237 D238 C241 K242 V243 D678 Q679 I683C237-Q681 PolarHBondContact O-NE2 3.31Å; D238-Q681 PolarHBondContact O-OE1 3.18Å; C241-Q681 WeakPolarHBondContact O-CB 3.48Å; C241-Q681 VanDerWaalsContact O-CG 3.29Å; C241-Q681 WeakPolarHBondContact O-CG 3.21Å; C241-Q681 PolarHBondContact O-NE2 2.71Å; K242-Q681 CarbonylContact C-O 3.47Å; K242-Q681 VanDerWaalsContact CA-O 3.26Å; K242-Q681 WeakPolarHBondContact CA-O 3.39Å; V243-Q681 PolarHBondContact N-O 2.9Å; D678-Q681 HydrophobicContact CB-CG 4.11Å; D678-Q681 VanDerWaalsContact N-OE1 3.11Å; D678-Q681 WeakPolarHBondContact O-CB 3.41Å; D678-Q681 PolarHBondContact O-N 3.19Å; Q679-Q681 PolarHBondContact O-N 3.22Å; Q681-I683 VanDerWaalsContact C-N 3.31Å; Q681-I683 PolarHBondContact O-N 3.33Å
682M80.8Confident80.1Confident0 Ų068.7 Ų68.70%038%0.378CS..SBendtrans-88.86.6-176.9-63-62.1-64.900113.7V243 M670 F677 Q679 Y688 A689 C692V243-M682 HydrophobicContact CG1-CE 4.06Å; V243-M682 HydrophobicContact CG1-SD 3.5Å; V243-M682 VanDerWaalsContact CG1-SD 3.5Å; M670-M682 HydrophobicContact CE-CG 3.98Å; M670-M682 HydrophobicContact CG-CE 3.63Å; M670-M682 HydrophobicContact CG-SD 4.45Å; M670-M682 HydrophobicContact SD-CE 3.78Å; M670-M682 HydrophobicContact SD-CG 4.02Å; M670-M682 HydrophobicContact SD-SD 3.85Å; F677-M682 HydrophobicContact CB-CG 4.43Å; F677-M682 HydrophobicContact CB-SD 4.33Å; F677-M682 HydrophobicContact CD2-SD 4.31Å; Q679-M682 PolarHBondContact O-N 3.14Å; M682-Y688 HydrophobicContact CB-CD2 4.27Å; M682-Y688 HydrophobicContact CB-CE2 3.86Å; M682-A689 HydrophobicContact CE-CB 4.02Å; M682-A689 WeakPolarHBondContact CE-O 3.5Å; M682-A689 PolarHBondContact O-N 3.28Å; M682-C692 HydrophobicContact CE-CB 4.32Å
683I81Confident80.5Confident69 Ų6967.7 Ų67.735%0.35437%0.374SS..EExtended strand (participates in β ladder)trans-105.8115.6-179.7-59.2166.9000109.7Q681 I687 Y688Q681-I683 VanDerWaalsContact C-N 3.31Å; Q681-I683 PolarHBondContact O-N 3.33Å; I683-I687 WeakPolarHBondContact CA-O 3.37Å; I683-Y688 HydrophobicContact CG1-CD2 4Å
684T75.8Confident80.9Confident34 Ų3463.7 Ų63.721%0.20934%0.343CS..EExtended strand (participates in β ladder)trans-128.6132.5172.6-67.10000109.3V243 G686 I687V243-T684 WeakPolarHBondContact CG2-OG1 3.31Å; V243-T684 PolarHBondContact O-OG1 3.33Å; T684-G686 PolarHBondContact O-N 2.92Å; T684-G686 VanDerWaalsContact O-N 3.08Å; T684-I687 PolarHBondContact N-O 3.48Å; T684-I687 PolarHBondContact O-N 3.41Å
685D71.8Confident81Confident128 Ų12863.2 Ų63.268%0.68434%0.343SS*.THydrogen-bonded Turntrans52.828.3-175.9-54.6-30.4000114.8K245 I687K245-D685 IonicContact NZ-OD2 3.27Å; K245-D685 PolarHBondContact NZ-OD2 3.34Å; K245-D685 VanDerWaalsContact NZ-OD2 3.1Å; D685-I687 VanDerWaalsContact C-N 3.31Å; D685-I687 PolarHBondContact O-N 3Å
686G73.3Confident81.2Confident71 Ų7164.3 Ų64.373%0.73235%0.349SS*.THydrogen-bonded Turntrans81.72.3-178.900000115.1T684T684-G686 PolarHBondContact O-N 2.92Å; T684-G686 VanDerWaalsContact O-N 3.08Å
687I77.7Confident81.7Confident127 Ų12756.9 Ų56.965%0.65132%0.316SS*.EExtended strand (participates in β ladder)trans-104.5132.4179-57174.8000109.4I683 T684 D685I683-I687 WeakPolarHBondContact CA-O 3.37Å; T684-I687 PolarHBondContact N-O 3.48Å; T684-I687 PolarHBondContact O-N 3.41Å; D685-I687 VanDerWaalsContact C-N 3.31Å; D685-I687 PolarHBondContact O-N 3Å
688Y84.6Confident82.1Confident101 Ų10158.6 Ų58.640%0.39632%0.322SS..EExtended strand (participates in β ladder)trans-85.6118176.5-174.4-96.9000110.5Q679 M682 I683 T690Q679-Y688 HydrophobicContact CG-CE2 4.25Å; M682-Y688 HydrophobicContact CB-CD2 4.27Å; M682-Y688 HydrophobicContact CB-CE2 3.86Å; I683-Y688 HydrophobicContact CG1-CD2 4Å; Y688-T690 HydrophobicContact CD1-CG2 4.32Å; Y688-T690 HydrophobicContact CE1-CG2 4.46Å
689A83.6Confident82.5Confident15 Ų1558.8 Ų58.812%0.12432%0.323CS..  trans-83.7125.5176.300000110.9V232 V243 M682V232-A689 HydrophobicContact CG1-CB 4.07Å; V243-A689 HydrophobicContact CG2-CB 4.48Å; M682-A689 HydrophobicContact CE-CB 4.02Å; M682-A689 WeakPolarHBondContact CE-O 3.5Å; M682-A689 PolarHBondContact O-N 3.28Å
690T85.9Confident82.7Confident97 Ų9757 Ų5760%0.59532%0.321SS*.SBendtrans-87.8-19.9179.6520000113.5M670 Y688M670-T690 WeakPolarHBondContact CB-O 3.42Å; M670-T690 WeakPolarHBondContact CG-O 3.42Å; M670-T690 PolarHBondContact N-O 2.88Å; M670-T690 VanDerWaalsContact N-O 3.08Å; Y688-T690 HydrophobicContact CD1-CG2 4.32Å; Y688-T690 HydrophobicContact CE1-CG2 4.46Å
691S88.4Confident83Confident52 Ų5258.5 Ų58.536%0.36432%0.324SS..EExtended strand (participates in β ladder)trans-138.8153.817559.30000109.8A668A668-S691 WeakPolarHBondContact O-CA 3.29Å
692C89.1Confident83.1Confident1 Ų158.7 Ų58.71%0.00733%0.325CS..EExtended strand (participates in β ladder)trans-133.5145.4173.569.40000109.9C234 A668 M682C234-C692 VanDerWaalsContact CA-SG 3.51Å; C234-C692 HydrophobicContact CB-CB 3.92Å; C234-C692 WeakPolarHBondContact CB-SG 3.27Å; C234-C692 WeakPolarHBondContact SG-CB 3.24Å; C234-C692 PolarHBondContact SG-O 3.18Å; C234-C692 CovalentContact SG-SG 2.05Å; C234-C692 PolarHBondContact SG-SG 3.35Å; A668-C692 PolarHBondContact N-O 3.18Å; A668-C692 PolarHBondContact O-N 3.23Å; M682-C692 HydrophobicContact CE-CB 4.32Å
693S89.5Confident83.4Confident14 Ų1464 Ų6410%0.09835%0.353CS..EExtended strand (participates in β ladder)trans-95150177.7-59.10000111T231 V232 M233 C234 S666T231-S693 VanDerWaalsContact CG2-OG 3.3Å; T231-S693 WeakPolarHBondContact CG2-OG 3.44Å; V232-S693 PolarHBondContact O-N 3.2Å; M233-S693 WeakPolarHBondContact CA-O 3.47Å; M233-S693 VanDerWaalsContact SD-O 3.34Å; C234-S693 PolarHBondContact N-O 3.33Å; C234-S693 PolarHBondContact SG-O 3.44Å; C234-S693 VanDerWaalsContact SG-O 3.42Å; S666-S693 CarbonylContact O-C 3.59Å; S666-S693 WeakPolarHBondContact O-CA 3.3Å
694Y87Confident83.8Confident26 Ų2664 Ų6410%0.10235%0.353CS..EExtended strand (participates in β ladder)trans-144.2152.7172.468.4-77.8000109.7H440 P441 S666 A668 D696 F702H440-Y694 HydrophobicContact CB-CE2 4.29Å; P441-Y694 HydrophobicContact CG-CD1 3.67Å; P441-Y694 HydrophobicContact CG-CD2 4.33Å; P441-Y694 HydrophobicContact CG-CE1 3.93Å; P441-Y694 HydrophobicContact CG-CG 3.9Å; S666-Y694 PolarHBondContact N-O 3.08Å; S666-Y694 WeakPolarHBondContact O-CD1 3.4Å; S666-Y694 PolarHBondContact O-N 3.46Å; A668-Y694 HydrophobicContact CB-CD1 4.07Å; A668-Y694 HydrophobicContact CB-CE1 3.93Å; Y694-D696 HydrophobicContact CD2-CB 3.83Å; Y694-D696 HydrophobicContact CE2-CB 3.44Å; Y694-D696 VanDerWaalsContact CE2-CB 3.44Å; Y694-D696 PolarHBondContact O-N 3.37Å; Y694-F702 HydrophobicContact CE1-CE1 4.08Å; Y694-F702 VanDerWaalsContact OH-CD1 3.31Å; Y694-F702 WeakPolarHBondContact OH-CD1 3.3Å
695K83.9Confident84.5Confident92 Ų9264.2 Ų64.240%0.436%0.355SS..EExtended strand (participates in β ladder)trans-82.8100.4-176.3-173.5179.5-177.4176.90110.4D632 L665D632-K695 IonicContact OD1-NZ 2.63Å; D632-K695 PolarHBondContact OD1-NZ 2.9Å; D632-K695 IonicContact OD2-NZ 2.68Å; D632-K695 PolarHBondContact OD2-NZ 3.43Å; L665-K695 HydrophobicContact CD2-CB 4.46Å
696D84.3Confident85.4Confident33 Ų3366.4 Ų66.418%0.17636%0.36CS..SBendtrans-159.9170.7171.5-156-8.5000109.2S666 Y694 R698S666-D696 PolarHBondContact OG-O 3.07Å; Y694-D696 HydrophobicContact CD2-CB 3.83Å; Y694-D696 HydrophobicContact CE2-CB 3.44Å; Y694-D696 VanDerWaalsContact CE2-CB 3.44Å; Y694-D696 PolarHBondContact O-N 3.37Å; D696-R698 HydrophobicContact CB-CG 4.39Å; D696-R698 VanDerWaalsContact OD2-CD 3.27Å; D696-R698 WeakPolarHBondContact OD2-CD 3.09Å; D696-R698 IonicContact OD2-CZ 3.35Å; D696-R698 IonicContact OD2-NE 3.8Å; D696-R698 PolarHBondContact OD2-NE 2.75Å; D696-R698 IonicContact OD2-NH2 3.22Å
697Y87.3Confident86.2Confident26 Ų2664.3 Ų64.310%0.10233%0.332CS..  trans-107.159176.6-64.1-72.6000110.4P635 T664 T705 Q707 F708 I711P635-Y697 WeakPolarHBondContact CB-OH 3.3Å; T664-Y697 HydrophobicContact CG2-CE1 4.33Å; Y697-T705 WeakPolarHBondContact O-CB 3.41Å; Y697-T705 WeakPolarHBondContact O-CG2 3.43Å; Y697-T705 PolarHBondContact O-N 2.75Å; Y697-T705 PolarHBondContact O-OG1 2.98Å; Y697-Q707 HydrophobicContact CD1-CG 3.97Å; Y697-Q707 HydrophobicContact CE1-CG 4.31Å; Y697-F708 HydrophobicContact CD2-CD2 4.31Å; Y697-I711 HydrophobicContact CD1-CD1 4.19Å; Y697-I711 HydrophobicContact CD2-CD1 4.11Å; Y697-I711 HydrophobicContact CE1-CD1 3.7Å; Y697-I711 HydrophobicContact CE2-CD1 3.61Å; Y697-I711 HydrophobicContact CG-CD1 4.37Å
698R88.6Confident86.8Confident57 Ų5760.8 Ų60.822%0.21531%0.312CS..BIsolated β-bridgetrans-115.3150.5-178.9-68.4-179-174.4-100.4-1.3112.4S666 D696 F702 N703S666-R698 PolarHBondContact OG-N 3.42Å; S666-R698 PolarHBondContact OG-O 3.44Å; D696-R698 HydrophobicContact CB-CG 4.39Å; D696-R698 VanDerWaalsContact OD2-CD 3.27Å; D696-R698 WeakPolarHBondContact OD2-CD 3.09Å; D696-R698 IonicContact OD2-CZ 3.35Å; D696-R698 IonicContact OD2-NE 3.8Å; D696-R698 PolarHBondContact OD2-NE 2.75Å; D696-R698 IonicContact OD2-NH2 3.22Å; R698-F702 WeakPolarHBondContact CD-O 3.37Å; R698-F702 PolarHBondContact NH1-O 3.47Å; R698-N703 VanDerWaalsContact CA-O 3.24Å; R698-N703 WeakPolarHBondContact CA-O 3.37Å
699D85.9Confident87.2Confident93 Ų9363 Ų6350%0.49732%0.32SS..  trans-78.6173171.1-1581.1000111.2D701 F702 N703 T705D699-D701 PolarHBondContact O-N 3.32Å; D699-D701 VanDerWaalsContact O-N 3.13Å; D699-F702 WeakPolarHBondContact O-CA 2.9Å; D699-F702 PolarHBondContact O-N 2.82Å; D699-N703 PolarHBondContact N-O 3.44Å; D699-T705 HydrophobicContact CB-CG2 4.28Å
700T82.1Confident87.7Confident96 Ų9665.4 Ų65.459%0.58933%0.33SS*.THydrogen-bonded Turntrans-58-26.8-179.655.30000113.4F702T700-F702 VanDerWaalsContact C-N 3.26Å; T700-F702 PolarHBondContact O-N 3.08Å
701D81.2Confident88Confident94 Ų9460.9 Ų60.950%0.50330%0.302SS..THydrogen-bonded Turntrans-85.77.5177.3-67.8-26.6000114.1R674 D699 N703R674-D701 PolarHBondContact NH1-O 2.96Å; R674-D701 PolarHBondContact NH2-O 3.47Å; D699-D701 PolarHBondContact O-N 3.32Å; D699-D701 VanDerWaalsContact O-N 3.13Å; D701-N703 VanDerWaalsContact C-N 3.25Å; D701-N703 PolarHBondContact O-N 3.09Å
702F83.4Confident88.1Confident6 Ų660.8 Ų60.83%0.02630%0.297CS..SBendtrans67.213-173.7-56.5-70.4000115.6H440 A668 D672 V675 Y694 R698 D699 T700H440-F702 HydrophobicContact CB-CD1 4.21Å; H440-F702 AromaticContact CE1-CG 3.68Å; H440-F702 AromaticContact CG-CD1 3.98Å; H440-F702 AromaticContact ND1-CD1 3.32Å; H440-F702 VanDerWaalsContact ND1-CD1 3.32Å; H440-F702 WeakPolarHBondContact ND1-CD1 3.27Å; H440-F702 AromaticContact ND1-CD2 3.89Å; H440-F702 AromaticContact ND1-CE1 3.91Å; H440-F702 AromaticContact ND1-CG 3.33Å; H440-F702 VanDerWaalsContact ND1-CG 3.33Å; H440-F702 WeakPolarHBondContact ND1-CG 3.06Å; A668-F702 HydrophobicContact CB-CE1 4.08Å; A668-F702 HydrophobicContact CB-CZ 4.1Å; D672-F702 WeakPolarHBondContact OD2-CE2 3.36Å; V675-F702 HydrophobicContact CG2-CE2 4.1Å; V675-F702 HydrophobicContact CG2-CZ 3.69Å; Y694-F702 HydrophobicContact CE1-CE1 4.08Å; Y694-F702 VanDerWaalsContact OH-CD1 3.31Å; Y694-F702 WeakPolarHBondContact OH-CD1 3.3Å; R698-F702 WeakPolarHBondContact CD-O 3.37Å; R698-F702 PolarHBondContact NH1-O 3.47Å; D699-F702 WeakPolarHBondContact O-CA 2.9Å; D699-F702 PolarHBondContact O-N 2.82Å; T700-F702 VanDerWaalsContact C-N 3.26Å; T700-F702 PolarHBondContact O-N 3.08Å
703N88.3Confident88.3Confident111 Ų11163.4 Ų63.459%0.59432%0.319SS*.PPolyproline II helixtrans-76.5146.4173.6-73.3-25.8000111.9R698 D699 D701 T705R698-N703 VanDerWaalsContact CA-O 3.24Å; R698-N703 WeakPolarHBondContact CA-O 3.37Å; D699-N703 PolarHBondContact N-O 3.44Å; D701-N703 VanDerWaalsContact C-N 3.25Å; D701-N703 PolarHBondContact O-N 3.09Å; N703-T705 PolarHBondContact O-N 2.98Å
704I87.9Confident88.6Confident70 Ų7065.1 Ų65.136%0.35933%0.329SS..BIsolated β-bridgetrans-70.7126.3178.8-62177000109.3F708I704-F708 HydrophobicContact CG2-CB 3.46Å; I704-F708 VanDerWaalsContact CG2-CB 3.46Å; I704-F708 HydrophobicContact CG2-CD1 3.29Å; I704-F708 HydrophobicContact CG2-CD2 4.39Å; I704-F708 HydrophobicContact CG2-CE1 4.1Å; I704-F708 HydrophobicContact CG2-CG 3.46Å; I704-F708 VanDerWaalsContact CG2-CG 3.46Å
705T90.7Very high88.9Confident39 Ų3965.4 Ų65.424%0.23933%0.33CS..PPolyproline II helixtrans-77.8161.7-179.662.40000112.8Y697 D699 N703 Q707 F708Y697-T705 WeakPolarHBondContact O-CB 3.41Å; Y697-T705 WeakPolarHBondContact O-CG2 3.43Å; Y697-T705 PolarHBondContact O-N 2.75Å; Y697-T705 PolarHBondContact O-OG1 2.98Å; D699-T705 HydrophobicContact CB-CG2 4.28Å; N703-T705 PolarHBondContact O-N 2.98Å; T705-Q707 PolarHBondContact O-N 2.73Å; T705-F708 WeakPolarHBondContact O-CB 3.39Å; T705-F708 PolarHBondContact O-N 3.35Å
706H90.2Very high89.3Confident173 Ų17367.2 Ų67.280%0.80134%0.338SS*.Hα-helixtrans-58.5-31171.4-71.1-75.1000113F708 W709 L710H706-F708 VanDerWaalsContact C-N 3.31Å; H706-F708 PolarHBondContact O-N 3.24Å; H706-W709 PolarHBondContact O-N 3.01Å; H706-L710 PolarHBondContact O-N 2.94Å
707Q90.1Very high89.8Confident27 Ų2768.4 Ų68.413%0.12635%0.352CS..Hα-helixtrans-61.2-38.8177.2-178.2175.4-13.200111.8Y643 N663 Y697 T705 W709 L710 I711Y643-Q707 HydrophobicContact CE2-CB 4.42Å; Y643-Q707 HydrophobicContact CE2-CG 3.82Å; N663-Q707 PolarHBondContact ND2-NE2 2.68Å; Y697-Q707 HydrophobicContact CD1-CG 3.97Å; Y697-Q707 HydrophobicContact CE1-CG 4.31Å; T705-Q707 PolarHBondContact O-N 2.73Å; Q707-W709 PolarHBondContact O-N 2.77Å; Q707-L710 PolarHBondContact O-N 3.28Å; Q707-I711 HydrophobicContact CG-CD1 3.83Å; Q707-I711 HydrophobicContact CG-CG1 4.47Å; Q707-I711 WeakPolarHBondContact O-CB 3.4Å; Q707-I711 VanDerWaalsContact O-CG1 3.26Å; Q707-I711 WeakPolarHBondContact O-CG1 3.42Å; Q707-I711 PolarHBondContact O-N 3.2Å
708F90.9Very high90Very high53 Ų5369 Ų6923%0.23236%0.356CS..Hα-helixtrans-57.5-50.3174.9178.3-94000111.9Y697 I704 T705 H706 L710 I711 L712Y697-F708 HydrophobicContact CD2-CD2 4.31Å; I704-F708 HydrophobicContact CG2-CB 3.46Å; I704-F708 VanDerWaalsContact CG2-CB 3.46Å; I704-F708 HydrophobicContact CG2-CD1 3.29Å; I704-F708 HydrophobicContact CG2-CD2 4.39Å; I704-F708 HydrophobicContact CG2-CE1 4.1Å; I704-F708 HydrophobicContact CG2-CG 3.46Å; I704-F708 VanDerWaalsContact CG2-CG 3.46Å; T705-F708 WeakPolarHBondContact O-CB 3.39Å; T705-F708 PolarHBondContact O-N 3.35Å; H706-F708 VanDerWaalsContact C-N 3.31Å; H706-F708 PolarHBondContact O-N 3.24Å; F708-L710 PolarHBondContact O-N 3Å; F708-I711 PolarHBondContact O-N 2.86Å; F708-L712 HydrophobicContact CE1-CD2 4.11Å; F708-L712 WeakPolarHBondContact O-CB 3.13Å; F708-L712 PolarHBondContact O-N 3.42Å
709W92.8Very high90.2Very high149 Ų14967.2 Ų67.256%0.56435%0.351SS*.Hα-helixtrans-65.9-38.8-177.3-69.3108.7000112.2H706 Q707 L712 A713H706-W709 PolarHBondContact O-N 3.01Å; Q707-W709 PolarHBondContact O-N 2.77Å; W709-L712 HydrophobicContact CE3-CD2 4.04Å; W709-L712 HydrophobicContact CZ3-CD2 4Å; W709-L712 PolarHBondContact O-N 3.49Å; W709-A713 WeakPolarHBondContact O-CB 3.32Å; W709-A713 PolarHBondContact O-N 2.86Å
710L93.4Very high90.4Very high64 Ų6467.3 Ų67.334%0.33535%0.35SS..Hα-helixtrans-62.6-48.7174.4-179.762.9000111.2V638 V642 Y643 H706 Q707 F708 L712 A713 V714V638-L710 HydrophobicContact CG1-CD2 4.04Å; V638-L710 HydrophobicContact CG1-CG 4.36Å; V642-L710 HydrophobicContact CG1-CD2 4.23Å; V642-L710 HydrophobicContact CG2-CD2 4.46Å; Y643-L710 HydrophobicContact CE2-CD2 4.29Å; H706-L710 PolarHBondContact O-N 2.94Å; Q707-L710 PolarHBondContact O-N 3.28Å; F708-L710 PolarHBondContact O-N 3Å; L710-L712 VanDerWaalsContact C-N 3.3Å; L710-L712 PolarHBondContact O-N 3.33Å; L710-A713 PolarHBondContact O-N 3.41Å; L710-V714 HydrophobicContact CD1-CG2 4.38Å; L710-V714 WeakPolarHBondContact O-CG2 3.36Å; L710-V714 PolarHBondContact O-N 3.46Å
711I92.1Very high90.9Very high3 Ų368.2 Ų68.22%0.01535%0.351CS..Hα-helixtrans-59.6-44.3177.2-69.5169.1000110.1P635 V638 Y697 Q707 F708 A713 V714 R715P635-I711 HydrophobicContact CB-CD1 4.38Å; P635-I711 HydrophobicContact CB-CG2 4.47Å; P635-I711 HydrophobicContact CG-CG2 3.99Å; V638-I711 HydrophobicContact CB-CG1 4.22Å; V638-I711 HydrophobicContact CG1-CG1 4.03Å; V638-I711 HydrophobicContact CG2-CG1 4.35Å; Y697-I711 HydrophobicContact CD1-CD1 4.19Å; Y697-I711 HydrophobicContact CD2-CD1 4.11Å; Y697-I711 HydrophobicContact CE1-CD1 3.7Å; Y697-I711 HydrophobicContact CE2-CD1 3.61Å; Y697-I711 HydrophobicContact CG-CD1 4.37Å; Q707-I711 HydrophobicContact CG-CD1 3.83Å; Q707-I711 HydrophobicContact CG-CG1 4.47Å; Q707-I711 WeakPolarHBondContact O-CB 3.4Å; Q707-I711 VanDerWaalsContact O-CG1 3.26Å; Q707-I711 WeakPolarHBondContact O-CG1 3.42Å; Q707-I711 PolarHBondContact O-N 3.2Å; F708-I711 PolarHBondContact O-N 2.86Å; I711-A713 PolarHBondContact O-N 3.4Å; I711-V714 PolarHBondContact O-N 3.23Å; I711-R715 HydrophobicContact CG2-CG 4.37Å; I711-R715 VanDerWaalsContact O-CG 3.25Å; I711-R715 WeakPolarHBondContact O-CG 3.39Å; I711-R715 PolarHBondContact O-N 3.02Å
712L91.6Very high91.3Very high49 Ų4964.3 Ų64.326%0.25733%0.329SS..Hα-helixtrans-60.8-44.9178-174.263.8000111.9F708 W709 L710 R715 F716F708-L712 HydrophobicContact CE1-CD2 4.11Å; F708-L712 WeakPolarHBondContact O-CB 3.13Å; F708-L712 PolarHBondContact O-N 3.42Å; W709-L712 HydrophobicContact CE3-CD2 4.04Å; W709-L712 HydrophobicContact CZ3-CD2 4Å; W709-L712 PolarHBondContact O-N 3.49Å; L710-L712 VanDerWaalsContact C-N 3.3Å; L710-L712 PolarHBondContact O-N 3.33Å; L712-R715 WeakPolarHBondContact O-CB 3.12Å; L712-R715 PolarHBondContact O-N 3.47Å; L712-F716 HydrophobicContact CD1-CD2 4.11Å; L712-F716 HydrophobicContact CD1-CE2 3.64Å; L712-F716 HydrophobicContact CD2-CE2 4.36Å; L712-F716 HydrophobicContact CG-CD2 4.03Å; L712-F716 HydrophobicContact CG-CE2 3.79Å; L712-F716 VanDerWaalsContact O-CD2 3.25Å; L712-F716 WeakPolarHBondContact O-CD2 3.46Å; L712-F716 PolarHBondContact O-N 3.23Å; L712-F716 VanDerWaalsContact O-N 3.07Å
713A94.1Very high91.6Very high57 Ų5767 Ų6747%0.47134%0.342SS..Hα-helixtrans-61.4-44.9177.200000111.9W709 L710 I711 R715 F716 A717W709-A713 WeakPolarHBondContact O-CB 3.32Å; W709-A713 PolarHBondContact O-N 2.86Å; L710-A713 PolarHBondContact O-N 3.41Å; I711-A713 PolarHBondContact O-N 3.4Å; A713-R715 VanDerWaalsContact C-N 3.33Å; A713-R715 PolarHBondContact O-N 2.8Å; A713-F716 PolarHBondContact O-N 2.77Å; A713-A717 WeakPolarHBondContact O-CB 3.5Å; A713-A717 PolarHBondContact O-N 3.19Å
714V94.4Very high91.7Very high49 Ų4967 Ų6730%0.29734%0.338SS..Hα-helixtrans-66-36177.6178.70000111.3I634 V638 L710 I711 A717 F718I634-V714 HydrophobicContact CG2-CB 4.11Å; I634-V714 HydrophobicContact CG2-CG1 3.68Å; V638-V714 HydrophobicContact CG2-CB 4.09Å; V638-V714 HydrophobicContact CG2-CG1 4.05Å; V638-V714 HydrophobicContact CG2-CG2 4.05Å; L710-V714 HydrophobicContact CD1-CG2 4.38Å; L710-V714 WeakPolarHBondContact O-CG2 3.36Å; L710-V714 PolarHBondContact O-N 3.46Å; I711-V714 PolarHBondContact O-N 3.23Å; V714-A717 PolarHBondContact O-N 3.05Å; V714-F718 VanDerWaalsContact O-CB 3.31Å; V714-F718 WeakPolarHBondContact O-CB 3.33Å; V714-F718 PolarHBondContact O-N 3.15Å
715R93.4Very high91.8Very high33 Ų3366.6 Ų66.613%0.12534%0.339CS..Hα-helixtrans-59.6-49173.2-74.5178.7161158.9-0.8111.6G628 I634 I711 L712 A713 F718 V719G628-R715 WeakPolarHBondContact O-CD 3.4Å; G628-R715 WeakPolarHBondContact O-CG 3.23Å; G628-R715 PolarHBondContact O-NE 3.28Å; I634-R715 HydrophobicContact CB-CG 4.02Å; I634-R715 HydrophobicContact CG1-CG 4.36Å; I634-R715 HydrophobicContact CG2-CG 3.74Å; I711-R715 HydrophobicContact CG2-CG 4.37Å; I711-R715 VanDerWaalsContact O-CG 3.25Å; I711-R715 WeakPolarHBondContact O-CG 3.39Å; I711-R715 PolarHBondContact O-N 3.02Å; L712-R715 WeakPolarHBondContact O-CB 3.12Å; L712-R715 PolarHBondContact O-N 3.47Å; A713-R715 VanDerWaalsContact C-N 3.33Å; A713-R715 PolarHBondContact O-N 2.8Å; R715-F718 PolarHBondContact O-N 3.49Å; R715-V719 WeakPolarHBondContact O-CG2 3.06Å; R715-V719 PolarHBondContact O-N 3.04Å
716F92.3Very high91.5Very high129 Ų12965.1 Ų65.157%0.56633%0.33SS*.Hα-helixtrans-62.4-45.4177.1-81.8-68.8000112L712 A713 F718 V719 I720L712-F716 HydrophobicContact CD1-CD2 4.11Å; L712-F716 HydrophobicContact CD1-CE2 3.64Å; L712-F716 HydrophobicContact CD2-CE2 4.36Å; L712-F716 HydrophobicContact CG-CD2 4.03Å; L712-F716 HydrophobicContact CG-CE2 3.79Å; L712-F716 VanDerWaalsContact O-CD2 3.25Å; L712-F716 WeakPolarHBondContact O-CD2 3.46Å; L712-F716 PolarHBondContact O-N 3.23Å; L712-F716 VanDerWaalsContact O-N 3.07Å; A713-F716 PolarHBondContact O-N 2.77Å; F716-F718 VanDerWaalsContact C-N 3.31Å; F716-F718 PolarHBondContact O-N 3.35Å; F716-V719 PolarHBondContact O-N 3.41Å; F716-I720 WeakPolarHBondContact O-CG1 3.32Å; F716-I720 PolarHBondContact O-N 3.23Å
717A94.1Very high91.3Very high59 Ų5959.5 Ų59.549%0.48831%0.307SS..Hα-helixtrans-59.4-42.7177.500000111.9A713 V714 L721A713-A717 WeakPolarHBondContact O-CB 3.5Å; A713-A717 PolarHBondContact O-N 3.19Å; V714-A717 PolarHBondContact O-N 3.05Å; A717-L721 WeakPolarHBondContact O-CB 3.35Å; A717-L721 PolarHBondContact O-N 3.3Å
718F92.6Very high91.2Very high38 Ų3862.9 Ų62.917%0.16733%0.325CS..Hα-helixtrans-62.3-48.4176.8174.2-94.4000112.3I627 F633 I634 V714 R715 F716 I720 L721 F722I627-F718 HydrophobicContact CB-CE1 3.87Å; I627-F718 HydrophobicContact CB-CZ 4.28Å; I627-F718 HydrophobicContact CG2-CE1 3.5Å; I627-F718 HydrophobicContact CG2-CZ 3.58Å; F633-F718 HydrophobicContact CE1-CE2 4.48Å; I634-F718 HydrophobicContact CD1-CB 3.8Å; I634-F718 HydrophobicContact CD1-CD1 4.01Å; I634-F718 HydrophobicContact CD1-CD2 3.78Å; I634-F718 HydrophobicContact CD1-CE2 4.38Å; I634-F718 HydrophobicContact CD1-CG 3.56Å; I634-F718 HydrophobicContact CG1-CD1 4.47Å; I634-F718 HydrophobicContact CG1-CG 4.41Å; V714-F718 VanDerWaalsContact O-CB 3.31Å; V714-F718 WeakPolarHBondContact O-CB 3.33Å; V714-F718 PolarHBondContact O-N 3.15Å; R715-F718 PolarHBondContact O-N 3.49Å; F716-F718 VanDerWaalsContact C-N 3.31Å; F716-F718 PolarHBondContact O-N 3.35Å; F718-I720 VanDerWaalsContact C-N 3.35Å; F718-I720 PolarHBondContact O-N 2.92Å; F718-L721 PolarHBondContact O-N 3.17Å; F718-F722 HydrophobicContact CE1-CB 4.3Å; F718-F722 HydrophobicContact CE1-CD2 4.38Å; F718-F722 HydrophobicContact CE1-CG 4.44Å; F718-F722 HydrophobicContact CZ-CB 4.36Å; F718-F722 AromaticContact CZ-CD2 3.9Å; F718-F722 HydrophobicContact CZ-CD2 3.9Å; F718-F722 HydrophobicContact CZ-CG 4.36Å; F718-F722 WeakPolarHBondContact O-CB 3.34Å; F718-F722 PolarHBondContact O-N 3.13Å
719V91.9Very high91Very high19 Ų1962.4 Ų62.412%0.11533%0.328CS..Hα-helixtrans-60.4-46.1-179.2173.10000110.8L625 R715 F716 F722 E723L625-V719 HydrophobicContact CD2-CG1 4.04Å; L625-V719 HydrophobicContact CD2-CG2 4.39Å; R715-V719 WeakPolarHBondContact O-CG2 3.06Å; R715-V719 PolarHBondContact O-N 3.04Å; F716-V719 PolarHBondContact O-N 3.41Å; V719-F722 PolarHBondContact O-N 2.04Å; V719-E723 WeakPolarHBondContact O-CB 3.27Å; V719-E723 PolarHBondContact O-N 3.38Å
720I91.9Very high90.5Very high95 Ų9557.9 Ų57.949%0.48731%0.312SS..Hα-helixtrans-60.5-49178.1-67.5169.9000110.3F716 F718 E723 H724F716-I720 WeakPolarHBondContact O-CG1 3.32Å; F716-I720 PolarHBondContact O-N 3.23Å; F718-I720 VanDerWaalsContact C-N 3.35Å; F718-I720 PolarHBondContact O-N 2.92Å; I720-E723 PolarHBondContact O-N 3.34Å; I720-H724 PolarHBondContact O-N 3.09Å; I720-H724 PolarHBondContact O-ND1 3.24Å
721L91.4Very high90.1Very high115 Ų11561.7 Ų61.760%0.60233%0.327SS*.Hα-helixtrans-60.7-48.2179.5-174.480000111.4A717 F718 E723 H724 V725A717-L721 WeakPolarHBondContact O-CB 3.35Å; A717-L721 PolarHBondContact O-N 3.3Å; F718-L721 PolarHBondContact O-N 3.17Å; L721-E723 PolarHBondContact O-N 3.32Å; L721-H724 PolarHBondContact O-N 2.89Å; L721-V725 HydrophobicContact CG-CG2 4.4Å; L721-V725 WeakPolarHBondContact O-CB 3.28Å; L721-V725 WeakPolarHBondContact O-CG2 3.47Å; L721-V725 PolarHBondContact O-N 2.74Å
722F89.8Confident90Very high12 Ų1266.2 Ų66.25%0.05335%0.35CS..Hα-helixtrans-59.6-46-178.7-176.9-90.9000111.6M269 N623 G624 I627 F718 V719 L726M269-F722 HydrophobicContact CG-CD2 4.33Å; M269-F722 HydrophobicContact CG-CE2 3.57Å; M269-F722 HydrophobicContact CG-CZ 4.36Å; N623-F722 HydrophobicContact CB-CE1 4.43Å; G624-F722 VanDerWaalsContact CA-CD1 3.42Å; I627-F722 HydrophobicContact CD1-CE2 4.21Å; I627-F722 HydrophobicContact CD1-CZ 4.23Å; F718-F722 HydrophobicContact CE1-CB 4.3Å; F718-F722 HydrophobicContact CE1-CD2 4.38Å; F718-F722 HydrophobicContact CE1-CG 4.44Å; F718-F722 HydrophobicContact CZ-CB 4.36Å; F718-F722 AromaticContact CZ-CD2 3.9Å; F718-F722 HydrophobicContact CZ-CD2 3.9Å; F718-F722 HydrophobicContact CZ-CG 4.36Å; F718-F722 WeakPolarHBondContact O-CB 3.34Å; F718-F722 PolarHBondContact O-N 3.13Å; V719-F722 PolarHBondContact O-N 2.04Å; F722-L726 HydrophobicContact CD1-CD1 3.73Å; F722-L726 HydrophobicContact CD2-CD1 4.42Å; F722-L726 HydrophobicContact CE1-CD1 3.26Å; F722-L726 HydrophobicContact CE2-CD1 4.03Å; F722-L726 HydrophobicContact CG-CD1 4.29Å; F722-L726 HydrophobicContact CZ-CD1 3.43Å; F722-L726 VanDerWaalsContact CZ-CD1 3.43Å; F722-L726 WeakPolarHBondContact O-CG 3.47Å; F722-L726 PolarHBondContact O-N 3.46Å
723E90.6Very high89.7Confident64 Ų6464.5 Ų64.530%0.29934%0.343SS..Hα-helixtrans-62.7-52.4178.1-174.2-178.9170.600111.6V719 I720 L721 V725 L726 V727V719-E723 WeakPolarHBondContact O-CB 3.27Å; V719-E723 PolarHBondContact O-N 3.38Å; I720-E723 PolarHBondContact O-N 3.34Å; L721-E723 PolarHBondContact O-N 3.32Å; E723-V725 PolarHBondContact O-N 3.19Å; E723-L726 PolarHBondContact O-N 3.19Å; E723-V727 HydrophobicContact CG-CG2 4.34Å; E723-V727 WeakPolarHBondContact O-CB 3.28Å; E723-V727 VanDerWaalsContact O-CG2 3.27Å; E723-V727 WeakPolarHBondContact O-CG2 3.48Å; E723-V727 PolarHBondContact O-N 3.43Å
724H90.3Very high89.1Confident110 Ų11064.5 Ų64.551%0.50934%0.339SS..Hα-helixtrans-63.4-41.3-176.5-73.977.1000112.1I720 L721 L726 V727 I728I720-H724 PolarHBondContact O-N 3.09Å; I720-H724 PolarHBondContact O-ND1 3.24Å; L721-H724 PolarHBondContact O-N 2.89Å; H724-L726 PolarHBondContact O-N 3.41Å; H724-V727 PolarHBondContact O-N 2.98Å; H724-I728 WeakPolarHBondContact O-CB 3.31Å; H724-I728 WeakPolarHBondContact O-CD1 3.5Å; H724-I728 WeakPolarHBondContact O-CG1 3.36Å; H724-I728 PolarHBondContact O-N 3.1Å
725V89.3Confident88.8Confident62 Ų6273.1 Ų73.138%0.37637%0.367SS..Hα-helixtrans-60.1-46.4177.3168.80000110.7L721 E723 I728 C729L721-V725 HydrophobicContact CG-CG2 4.4Å; L721-V725 WeakPolarHBondContact O-CB 3.28Å; L721-V725 WeakPolarHBondContact O-CG2 3.47Å; L721-V725 PolarHBondContact O-N 2.74Å; E723-V725 PolarHBondContact O-N 3.19Å; V725-I728 PolarHBondContact O-N 2.85Å; V725-C729 PolarHBondContact O-N 3.42Å; V725-C729 PolarHBondContact O-SG 3.39Å
726L85.2Confident88.6Confident7 Ų779.9 Ų79.94%0.03740%0.397CS..Hα-helixtrans-72.2-35.2-178.3-71.1174000112.8A272 I273 V620 F722 E723 H724 I728 C729 K730A272-L726 HydrophobicContact CB-CD1 3.57Å; A272-L726 HydrophobicContact CB-CD2 3.7Å; A272-L726 HydrophobicContact CB-CG 4.17Å; I273-L726 HydrophobicContact CG1-CD2 4.13Å; V620-L726 HydrophobicContact CG1-CB 3.67Å; V620-L726 HydrophobicContact CG1-CD1 3.84Å; V620-L726 HydrophobicContact CG1-CG 4.43Å; V620-L726 HydrophobicContact CG2-CB 4.3Å; F722-L726 HydrophobicContact CD1-CD1 3.73Å; F722-L726 HydrophobicContact CD2-CD1 4.42Å; F722-L726 HydrophobicContact CE1-CD1 3.26Å; F722-L726 HydrophobicContact CE2-CD1 4.03Å; F722-L726 HydrophobicContact CG-CD1 4.29Å; F722-L726 HydrophobicContact CZ-CD1 3.43Å; F722-L726 VanDerWaalsContact CZ-CD1 3.43Å; F722-L726 WeakPolarHBondContact O-CG 3.47Å; F722-L726 PolarHBondContact O-N 3.46Å; E723-L726 PolarHBondContact O-N 3.19Å; H724-L726 PolarHBondContact O-N 3.41Å; L726-I728 VanDerWaalsContact C-N 3.35Å; L726-C729 WeakPolarHBondContact O-CB 3.32Å; L726-C729 PolarHBondContact O-N 2.87Å; L726-K730 PolarHBondContact O-N 3.39Å
727V84.9Confident88.4Confident55 Ų5574.4 Ų74.433%0.33337%0.373SS..Hα-helixtrans-62.8-42.7172.2169.70000110.7E723 H724 K730 F731E723-V727 HydrophobicContact CG-CG2 4.34Å; E723-V727 WeakPolarHBondContact O-CB 3.28Å; E723-V727 VanDerWaalsContact O-CG2 3.27Å; E723-V727 WeakPolarHBondContact O-CG2 3.48Å; E723-V727 PolarHBondContact O-N 3.43Å; H724-V727 PolarHBondContact O-N 2.98Å; V727-K730 WeakPolarHBondContact O-CB 3.32Å; V727-K730 PolarHBondContact O-N 3.44Å; V727-F731 HydrophobicContact CG1-CD2 3.81Å; V727-F731 HydrophobicContact CG1-CE2 3.45Å; V727-F731 VanDerWaalsContact CG1-CE2 3.45Å; V727-F731 WeakPolarHBondContact O-CD2 3.33Å; V727-F731 PolarHBondContact O-N 3.13Å
728I88.5Confident88Confident98 Ų9873.6 Ų73.650%0.50336%0.364SS..Hα-helixtrans-60.5-46.3173.7-69.9163.9000110.6H724 V725 L726 K730 F731 I732H724-I728 WeakPolarHBondContact O-CB 3.31Å; H724-I728 WeakPolarHBondContact O-CD1 3.5Å; H724-I728 WeakPolarHBondContact O-CG1 3.36Å; H724-I728 PolarHBondContact O-N 3.1Å; V725-I728 PolarHBondContact O-N 2.85Å; L726-I728 VanDerWaalsContact C-N 3.35Å; I728-K730 VanDerWaalsContact C-N 3.28Å; I728-K730 PolarHBondContact O-N 2.87Å; I728-F731 PolarHBondContact O-N 2.93Å; I728-F731 VanDerWaalsContact O-N 3.15Å; I728-I732 HydrophobicContact CG2-CD1 3.74Å; I728-I732 HydrophobicContact CG2-CG1 4.37Å; I728-I732 WeakPolarHBondContact O-CG1 3.44Å; I728-I732 PolarHBondContact O-N 3.22Å
729C85.9Confident87.5Confident43 Ų4375 Ų7529%0.29138%0.377SS..Hα-helixtrans-57.3-40.6175.2-71.20000112.3V725 L726 I732 A733V725-C729 PolarHBondContact O-N 3.42Å; V725-C729 PolarHBondContact O-SG 3.39Å; L726-C729 WeakPolarHBondContact O-CB 3.32Å; L726-C729 PolarHBondContact O-N 2.87Å; C729-I732 PolarHBondContact O-N 3.2Å; C729-A733 WeakPolarHBondContact O-CB 3.15Å; C729-A733 PolarHBondContact O-N 2.84Å
730K83.3Confident87.1Confident54 Ų5476.4 Ų76.424%0.23539%0.385CS..Hα-helixtrans-59.1-49.3174.6-176.7-175.7174.6-173.90111.1T276 E613 L726 V727 I728 I732 A733 S734T276-K730 HydrophobicContact CG2-CB 3.75Å; T276-K730 HydrophobicContact CG2-CD 4.31Å; T276-K730 HydrophobicContact CG2-CG 3.72Å; E613-K730 IonicContact OE1-NZ 3.38Å; E613-K730 PolarHBondContact OE1-NZ 2.93Å; L726-K730 PolarHBondContact O-N 3.39Å; V727-K730 WeakPolarHBondContact O-CB 3.32Å; V727-K730 PolarHBondContact O-N 3.44Å; I728-K730 VanDerWaalsContact C-N 3.28Å; I728-K730 PolarHBondContact O-N 2.87Å; K730-I732 VanDerWaalsContact C-N 3.34Å; K730-I732 PolarHBondContact O-N 3.43Å; K730-A733 PolarHBondContact O-N 3.37Å; K730-S734 PolarHBondContact O-N 3.44Å
731F84.9Confident86.8Confident145 Ų14572 Ų7264%0.63636%0.362SS*.Hα-helixtrans-61.6-42.1179.7-77.3-64.4000112V727 I728 S734 W735V727-F731 HydrophobicContact CG1-CD2 3.81Å; V727-F731 HydrophobicContact CG1-CE2 3.45Å; V727-F731 VanDerWaalsContact CG1-CE2 3.45Å; V727-F731 WeakPolarHBondContact O-CD2 3.33Å; V727-F731 PolarHBondContact O-N 3.13Å; I728-F731 PolarHBondContact O-N 2.93Å; I728-F731 VanDerWaalsContact O-N 3.15Å; F731-S734 PolarHBondContact O-N 2.98Å; F731-W735 WeakPolarHBondContact O-CB 3.41Å; F731-W735 PolarHBondContact O-N 3.09Å
732I89.1Confident86.6Confident98 Ų9871.5 Ų71.550%0.50336%0.358SS..Hα-helixtrans-61.6-46.1176.2-66.7168.1000110.8I728 C729 K730 S734 W735 F736I728-I732 HydrophobicContact CG2-CD1 3.74Å; I728-I732 HydrophobicContact CG2-CG1 4.37Å; I728-I732 WeakPolarHBondContact O-CG1 3.44Å; I728-I732 PolarHBondContact O-N 3.22Å; C729-I732 PolarHBondContact O-N 3.2Å; K730-I732 VanDerWaalsContact C-N 3.34Å; K730-I732 PolarHBondContact O-N 3.43Å; I732-S734 PolarHBondContact O-N 3.18Å; I732-W735 PolarHBondContact O-N 3.4Å; I732-F736 WeakPolarHBondContact O-CB 3.37Å; I732-F736 PolarHBondContact O-N 3.34Å
733A85.8Confident86.2Confident13 Ų1374.3 Ų74.311%0.10737%0.371CS..Hα-helixtrans-61.3-45.417900000112L277 C729 K730 W735 F736 I737L277-A733 HydrophobicContact CD2-CB 4.1Å; C729-A733 WeakPolarHBondContact O-CB 3.15Å; C729-A733 PolarHBondContact O-N 2.84Å; K730-A733 PolarHBondContact O-N 3.37Å; A733-W735 VanDerWaalsContact C-N 3.31Å; A733-W735 PolarHBondContact O-N 2.81Å; A733-F736 PolarHBondContact O-N 3.21Å; A733-I737 WeakPolarHBondContact O-CB 3.43Å; A733-I737 PolarHBondContact O-N 3.24Å
734S82.5Confident85.7Confident57 Ų5771.8 Ų71.840%0.39936%0.36SS..Hα-helixtrans-64.8-33.7177.4-174.10000112.5K730 F731 I732K730-S734 PolarHBondContact O-N 3.44Å; F731-S734 PolarHBondContact O-N 2.98Å; I732-S734 PolarHBondContact O-N 3.18Å
735W86.9Confident85.4Confident230 Ų23071.6 Ų71.687%0.87136%0.358SS*.Hα-helixtrans-71.5-40.3175.9-176.734.8000112.7F731 I732 A733F731-W735 WeakPolarHBondContact O-CB 3.41Å; F731-W735 PolarHBondContact O-N 3.09Å; I732-W735 PolarHBondContact O-N 3.4Å; A733-W735 VanDerWaalsContact C-N 3.31Å; A733-W735 PolarHBondContact O-N 2.81Å
736F89.4Confident85.2Confident175 Ų17573.1 Ų73.177%0.76836%0.364SS*.Hα-helixtrans-79.2-32.2-176.4-163.7-96.5000113.3I732 A733 P738I732-F736 WeakPolarHBondContact O-CB 3.37Å; I732-F736 PolarHBondContact O-N 3.34Å; A733-F736 PolarHBondContact O-N 3.21Å; F736-P738 VanDerWaalsContact O-CD 3.23Å; F736-P738 WeakPolarHBondContact O-CD 3.36Å
737I87.9Confident84.9Confident13 Ų1375.7 Ų75.77%0.06738%0.378CS..SBendtrans-102.8100.8-176.1-56.8172000108.8L277 E280 F281 A733L277-I737 HydrophobicContact CD2-CD1 3.67Å; E280-I737 HydrophobicContact CB-CB 4.31Å; E280-I737 HydrophobicContact CB-CD1 4.42Å; E280-I737 HydrophobicContact CB-CG2 4.14Å; F281-I737 HydrophobicContact CD1-CG2 4.33Å; F281-I737 HydrophobicContact CE1-CD1 3.94Å; F281-I737 HydrophobicContact CE1-CG2 4.29Å; F281-I737 HydrophobicContact CE2-CD1 4.16Å; F281-I737 HydrophobicContact CZ-CD1 3.72Å; A733-I737 WeakPolarHBondContact O-CB 3.43Å; A733-I737 PolarHBondContact O-N 3.24Å
738P86.1Confident84.6Confident43 Ų4374.7 Ų74.728%0.27938%0.379SS..  trans-66.4137.6176.126.6-33.7000110.9F736 V740 M742F736-P738 VanDerWaalsContact O-CD 3.23Å; F736-P738 WeakPolarHBondContact O-CD 3.36Å; P738-V740 PolarHBondContact O-N 2.72Å; P738-M742 HydrophobicContact CB-CE 4.02Å; P738-M742 HydrophobicContact CG-CE 3.93Å
739P81.3Confident84.3Confident68 Ų6875.7 Ų75.744%0.44238%0.384SS..SBendtrans-69.3-18.9-17528-36.3000113K283 R284K283-P739 CarbonylContact C-O 3.51Å; K283-P739 HydrophobicContact CB-CB 4.45Å; R284-P739 WeakPolarHBondContact CA-O 3.22Å; R284-P739 PolarHBondContact N-O 3.26Å
740V84.4Confident84.2Confident47 Ų4777.8 Ų77.829%0.28540%0.396SS..SBendtrans-120.1125.6174.3-176.40000108.8A287 P738 V744 K745A287-V740 HydrophobicContact CB-CG1 4.36Å; A287-V740 HydrophobicContact CB-CG2 4.23Å; P738-V740 PolarHBondContact O-N 2.72Å; V740-V744 HydrophobicContact CG1-CB 3.98Å; V740-V744 HydrophobicContact CG1-CG1 3.81Å; V740-K745 HydrophobicContact CB-CG 4.37Å; V740-K745 HydrophobicContact CG1-CG 3.78Å
741P86.4Confident83.8Confident2 Ų277 Ų771%0.01339%0.394CS..  trans-58.7147.8175.7-15.924.9000112.3R284 S288 H743 V744 K745R284-P741 HydrophobicContact CG-CG 3.65Å; S288-P741 WeakPolarHBondContact OG-CG 3.36Å; P741-H743 VanDerWaalsContact C-N 3.3Å; P741-H743 WeakPolarHBondContact CB-ND1 3.37Å; P741-H743 PolarHBondContact O-N 2.97Å; P741-V744 HydrophobicContact CB-CB 4.47Å; P741-V744 HydrophobicContact CB-CG2 4.05Å; P741-V744 HydrophobicContact CG-CG2 3.82Å; P741-V744 PolarHBondContact O-N 2.87Å; P741-K745 PolarHBondContact O-N 3.06Å
742M85.3Confident83.5Confident105 Ų10575.4 Ų75.452%0.51739%0.387SS..Hα-helixtrans-64.1-33.7179.6-63.7-58.4153.600113.2P738 K745 N746P738-M742 HydrophobicContact CB-CE 4.02Å; P738-M742 HydrophobicContact CG-CE 3.93Å; M742-K745 PolarHBondContact O-N 2.88Å; M742-K745 HydrophobicContact SD-CD 4.11Å; M742-N746 VanDerWaalsContact O-CG 3.25Å; M742-N746 PolarHBondContact O-N 3.3Å; M742-N746 PolarHBondContact O-ND2 3.05Å
743H81.4Confident83.2Confident72 Ų7277.2 Ų77.233%0.33339%0.392SS..Hα-helixtrans-62.8-44.7175.882.5-87.9000111.6P741 K745 N746 D747P741-H743 VanDerWaalsContact C-N 3.3Å; P741-H743 WeakPolarHBondContact CB-ND1 3.37Å; P741-H743 PolarHBondContact O-N 2.97Å; H743-K745 VanDerWaalsContact C-N 3.29Å; H743-K745 PolarHBondContact O-N 3.16Å; H743-N746 CarbonylContact O-C 3.58Å; H743-N746 PolarHBondContact O-N 3.49Å; H743-N746 VanDerWaalsContact O-N 3.07Å; H743-D747 IonicContact CD2-OD2 3.95Å; H743-D747 WeakPolarHBondContact O-CB 3.3Å; H743-D747 VanDerWaalsContact O-CG 3.3Å; H743-D747 PolarHBondContact O-N 3.05Å
744V81.9Confident82.9Confident11 Ų1182.6 Ų82.67%0.06741%0.409CS..Hα-helixtrans-58.2-42.7176.3174.60000111.1C291 V740 P741 D747 G748C291-V744 HydrophobicContact CB-CG1 3.58Å; V740-V744 HydrophobicContact CG1-CB 3.98Å; V740-V744 HydrophobicContact CG1-CG1 3.81Å; P741-V744 HydrophobicContact CB-CB 4.47Å; P741-V744 HydrophobicContact CB-CG2 4.05Å; P741-V744 HydrophobicContact CG-CG2 3.82Å; P741-V744 PolarHBondContact O-N 2.87Å; V744-D747 PolarHBondContact O-N 3.16Å; V744-G748 PolarHBondContact O-N 3.15Å
745K83.3Confident82.4Confident106 Ų10682 Ų8246%0.46140%0.398SS..Hα-helixtrans-62.3-43.2175.8-67-173.7-179-175.90111.8V740 P741 M742 H743 L749V740-K745 HydrophobicContact CB-CG 4.37Å; V740-K745 HydrophobicContact CG1-CG 3.78Å; P741-K745 PolarHBondContact O-N 3.06Å; M742-K745 PolarHBondContact O-N 2.88Å; M742-K745 HydrophobicContact SD-CD 4.11Å; H743-K745 VanDerWaalsContact C-N 3.29Å; H743-K745 PolarHBondContact O-N 3.16Å; K745-L749 WeakPolarHBondContact O-CB 3.43Å; K745-L749 PolarHBondContact O-N 2.84Å
746N85.8Confident82Confident94 Ų9476.2 Ų76.250%0.50338%0.384SS..Hα-helixtrans-68.9-39179.1-68.3-14.5000112.1M742 H743 L749 T750M742-N746 VanDerWaalsContact O-CG 3.25Å; M742-N746 PolarHBondContact O-N 3.3Å; M742-N746 PolarHBondContact O-ND2 3.05Å; H743-N746 CarbonylContact O-C 3.58Å; H743-N746 PolarHBondContact O-N 3.49Å; H743-N746 VanDerWaalsContact O-N 3.07Å; N746-L749 PolarHBondContact O-N 2.9Å; N746-T750 WeakPolarHBondContact O-CB 3.48Å; N746-T750 PolarHBondContact O-N 2.8Å; N746-T750 PolarHBondContact O-OG1 2.92Å
747D78.4Confident81.7Confident60 Ų6072.3 Ų72.332%0.32137%0.368SS..Hα-helixtrans-65.3-46.3176.5-71.5-21.7000110.4H743 V744 L749 T750 D751H743-D747 IonicContact CD2-OD2 3.95Å; H743-D747 WeakPolarHBondContact O-CB 3.3Å; H743-D747 VanDerWaalsContact O-CG 3.3Å; H743-D747 PolarHBondContact O-N 3.05Å; V744-D747 PolarHBondContact O-N 3.16Å; D747-L749 VanDerWaalsContact C-N 3.34Å; D747-L749 PolarHBondContact O-N 2.83Å; D747-T750 PolarHBondContact O-N 3.46Å; D747-D751 WeakPolarHBondContact O-CB 3.04Å; D747-D751 PolarHBondContact O-N 3.46Å
748G78.8Confident81.4Confident35 Ų3577 Ų7736%0.36139%0.39SS..Hα-helixtrans-59.7-42.3173.300000112.6V744 K752V744-G748 PolarHBondContact O-N 3.15Å; G748-K752 VanDerWaalsContact O-CB 3.28Å; G748-K752 WeakPolarHBondContact O-CB 3.07Å; G748-K752 PolarHBondContact O-N 2.76Å
749L82.1Confident81Confident118 Ų11880.3 Ų80.362%0.61840%0.401SS*.Hα-helixtrans-62.9-45.2175.2-17966.9000111.8K745 N746 D747 K752 F753K745-L749 WeakPolarHBondContact O-CB 3.43Å; K745-L749 PolarHBondContact O-N 2.84Å; N746-L749 PolarHBondContact O-N 2.9Å; D747-L749 VanDerWaalsContact C-N 3.34Å; D747-L749 PolarHBondContact O-N 2.83Å; L749-K752 PolarHBondContact O-N 2.96Å; L749-F753 VanDerWaalsContact O-CB 3.29Å; L749-F753 WeakPolarHBondContact O-CB 2.98Å; L749-F753 PolarHBondContact O-N 2.05Å
750T83.6Confident80.9Confident88 Ų8882 Ų8254%0.5441%0.407SS..Hα-helixtrans-65-42.6-179.5-570000111N746 D747 F753 R754N746-T750 WeakPolarHBondContact O-CB 3.48Å; N746-T750 PolarHBondContact O-N 2.8Å; N746-T750 PolarHBondContact O-OG1 2.92Å; D747-T750 PolarHBondContact O-N 3.46Å; T750-F753 PolarHBondContact O-N 3.32Å; T750-R754 WeakPolarHBondContact O-CB 3.11Å; T750-R754 PolarHBondContact O-N 3.06Å
751D74.8Confident80.7Confident36 Ų3686.3 Ų86.319%0.19342%0.421CS..Hα-helixtrans-65.9-44177-172.742.1000111.6D747 F753 R754 R755D747-D751 WeakPolarHBondContact O-CB 3.04Å; D747-D751 PolarHBondContact O-N 3.46Å; D751-F753 PolarHBondContact O-N 2.03Å; D751-R754 PolarHBondContact O-N 3.07Å; D751-R754 IonicContact OD1-CZ 3.57Å; D751-R754 IonicContact OD1-NE 3.63Å; D751-R754 IonicContact OD1-NH2 2.68Å; D751-R754 PolarHBondContact OD1-NH2 3.09Å; D751-R755 VanDerWaalsContact O-CG 3.31Å; D751-R755 WeakPolarHBondContact O-CG 3.38Å; D751-R755 PolarHBondContact O-N 3.22Å; D751-R755 VanDerWaalsContact O-N 3.1Å; D751-R755 IonicContact OD1-NE 3.17Å; D751-R755 PolarHBondContact OD1-NE 2.95Å; D751-R755 IonicContact OD1-NH2 3.26Å; D751-R755 IonicContact OD2-CZ 2.68Å; D751-R755 IonicContact OD2-NE 3.98Å; D751-R755 PolarHBondContact OD2-NE 3.25Å; D751-R755 VanDerWaalsContact OD2-NE 3.15Å; D751-R755 IonicContact OD2-NH1 2.77Å; D751-R755 IonicContact OD2-NH2 2.68Å; D751-R755 PolarHBondContact OD2-NH2 3.21Å
752K78.9Confident80Confident113 Ų11395.9 Ų95.949%0.49146%0.459SS..Hα-helixtrans-60.7-44.8173.9-172.1173.2-175.2173.20111.6G748 L749 R755 L756G748-K752 VanDerWaalsContact O-CB 3.28Å; G748-K752 WeakPolarHBondContact O-CB 3.07Å; G748-K752 PolarHBondContact O-N 2.76Å; L749-K752 PolarHBondContact O-N 2.96Å; K752-R755 PolarHBondContact O-N 3.23Å; K752-L756 HydrophobicContact CG-CD1 4.24Å; K752-L756 WeakPolarHBondContact O-CG 3.16Å; K752-L756 PolarHBondContact O-N 3.41Å
753F81.9Confident79.3Confident136 Ų13698.8 Ų98.860%0.59647%0.468SS*.Hα-helixtrans-59.6-47.2177.1177.9-101.1000111.8L749 T750 D751 R755 L756 Q757L749-F753 VanDerWaalsContact O-CB 3.29Å; L749-F753 WeakPolarHBondContact O-CB 2.98Å; L749-F753 PolarHBondContact O-N 2.05Å; T750-F753 PolarHBondContact O-N 3.32Å; D751-F753 PolarHBondContact O-N 2.03Å; F753-R755 VanDerWaalsContact C-N 3.33Å; F753-R755 PolarHBondContact O-N 3.11Å; F753-L756 PolarHBondContact O-N 2.88Å; F753-Q757 WeakPolarHBondContact O-CB 3.26Å; F753-Q757 PolarHBondContact O-N 3.45Å
754R80.4Confident78.1Confident125 Ų125102.6 Ų102.647%0.47248%0.484SS..Hα-helixtrans-57.4-44176.8175.5176.757.7173.1-3.5112.1T750 D751 Q757 E758T750-R754 WeakPolarHBondContact O-CB 3.11Å; T750-R754 PolarHBondContact O-N 3.06Å; D751-R754 PolarHBondContact O-N 3.07Å; D751-R754 IonicContact OD1-CZ 3.57Å; D751-R754 IonicContact OD1-NE 3.63Å; D751-R754 IonicContact OD1-NH2 2.68Å; D751-R754 PolarHBondContact OD1-NH2 3.09Å; R754-Q757 WeakPolarHBondContact O-CB 3.4Å; R754-Q757 PolarHBondContact O-N 2.93Å; R754-E758 WeakPolarHBondContact O-CG 3.41Å; R754-E758 PolarHBondContact O-N 3.46Å
755R70.9Confident76.5Confident44 Ų44106.9 Ų106.917%0.16651%0.512CS..Hα-helixtrans-68.1-43-179.6-67.1170.3-169.2-172.30.5112.3C101 S102 G103 D751 K752 F753 Q757 E758 E759C101-R755 PolarHBondContact O-NH1 3.35Å; S102-R755 VanDerWaalsContact CA-NH1 3.32Å; G103-R755 VanDerWaalsContact N-CZ 3.29Å; D751-R755 VanDerWaalsContact O-CG 3.31Å; D751-R755 WeakPolarHBondContact O-CG 3.38Å; D751-R755 PolarHBondContact O-N 3.22Å; D751-R755 VanDerWaalsContact O-N 3.1Å; D751-R755 IonicContact OD1-NE 3.17Å; D751-R755 PolarHBondContact OD1-NE 2.95Å; D751-R755 IonicContact OD1-NH2 3.26Å; D751-R755 IonicContact OD2-CZ 2.68Å; D751-R755 IonicContact OD2-NE 3.98Å; D751-R755 PolarHBondContact OD2-NE 3.25Å; D751-R755 VanDerWaalsContact OD2-NE 3.15Å; D751-R755 IonicContact OD2-NH1 2.77Å; D751-R755 IonicContact OD2-NH2 2.68Å; D751-R755 PolarHBondContact OD2-NH2 3.21Å; K752-R755 PolarHBondContact O-N 3.23Å; F753-R755 VanDerWaalsContact C-N 3.33Å; F753-R755 PolarHBondContact O-N 3.11Å; R755-Q757 PolarHBondContact O-N 3.36Å; R755-E758 WeakPolarHBondContact O-CB 3.45Å; R755-E758 PolarHBondContact O-N 2.76Å; R755-E758 VanDerWaalsContact O-N 3.09Å; R755-E759 PolarHBondContact O-N 3.08Å
756L79.8Confident74.9Confident109 Ų109109.4 Ų109.457%0.57153%0.531SS*.Hα-helixtrans-59.7-35.8173.2-69.7173.3000111.1K752 F753 L760K752-L756 HydrophobicContact CG-CD1 4.24Å; K752-L756 WeakPolarHBondContact O-CG 3.16Å; K752-L756 PolarHBondContact O-N 3.41Å; F753-L756 PolarHBondContact O-N 2.88Å; L756-L760 VanDerWaalsContact O-CB 3.23Å; L756-L760 WeakPolarHBondContact O-CB 3.29Å; L756-L760 PolarHBondContact O-N 2.87Å
757Q82.3Confident73Confident94 Ų94111.9 Ų111.944%0.43954%0.544SS..Hα-helixtrans-67.9-37.6174.2-166.2-176.87.800112.6F753 R754 R755 K761F753-Q757 WeakPolarHBondContact O-CB 3.26Å; F753-Q757 PolarHBondContact O-N 3.45Å; R754-Q757 WeakPolarHBondContact O-CB 3.4Å; R754-Q757 PolarHBondContact O-N 2.93Å; R755-Q757 PolarHBondContact O-N 3.36Å; Q757-K761 WeakPolarHBondContact O-CG 3.36Å; Q757-K761 PolarHBondContact O-N 2.99Å; Q757-K761 VanDerWaalsContact O-N 3.1Å
758E80.9Confident71.3Confident110 Ų110114.9 Ų114.951%0.51456%0.564SS.*Hα-helixtrans-66.1-47174.9-74.2171.8-175.100111.9R754 R755 L760 K761 Y762R754-E758 WeakPolarHBondContact O-CG 3.41Å; R754-E758 PolarHBondContact O-N 3.46Å; R755-E758 WeakPolarHBondContact O-CB 3.45Å; R755-E758 PolarHBondContact O-N 2.76Å; R755-E758 VanDerWaalsContact O-N 3.09Å; E758-L760 VanDerWaalsContact C-N 3.33Å; E758-L760 PolarHBondContact O-N 2.83Å; E758-K761 WeakPolarHBondContact O-CB 3.37Å; E758-K761 PolarHBondContact O-N 2.95Å; E758-K761 VanDerWaalsContact O-N 3.17Å; E758-Y762 PolarHBondContact O-N 3.18Å
759E77.7Confident69.4Low113 Ų113118.9 Ų118.953%0.52859%0.585SS.*Hα-helixtrans-63-40.1175.5-68.3-63.2151.800111.2R755 K761 Y762 F763R755-E759 PolarHBondContact O-N 3.08Å; E759-K761 VanDerWaalsContact C-N 3.29Å; E759-K761 PolarHBondContact O-N 3.17Å; E759-Y762 WeakPolarHBondContact O-CB 3.39Å; E759-Y762 PolarHBondContact O-N 3.27Å; E759-Y762 VanDerWaalsContact O-N 3.11Å; E759-F763 WeakPolarHBondContact O-CD2 3.09Å; E759-F763 PolarHBondContact O-N 2.99Å
760L79.1Confident67.2Low105 Ų105119 Ų11955%0.5559%0.591SS.*Hα-helixtrans-62.6-34175.1-174.867.7000112.7L756 E758 Y762 F763 K764L756-L760 VanDerWaalsContact O-CB 3.23Å; L756-L760 WeakPolarHBondContact O-CB 3.29Å; L756-L760 PolarHBondContact O-N 2.87Å; E758-L760 VanDerWaalsContact C-N 3.33Å; E758-L760 PolarHBondContact O-N 2.83Å; L760-Y762 VanDerWaalsContact C-N 3.3Å; L760-Y762 PolarHBondContact O-N 3.22Å; L760-F763 PolarHBondContact O-N 3.1Å; L760-K764 PolarHBondContact O-N 3.08Å
761K80.9Confident65.2Low137 Ų137124.1 Ų124.160%0.59663%0.626SS**Hα-helixtrans-64.9-35.1174.8-76173.3-176.9179.90111.7Q757 E758 E759 F763 K764Q757-K761 WeakPolarHBondContact O-CG 3.36Å; Q757-K761 PolarHBondContact O-N 2.99Å; Q757-K761 VanDerWaalsContact O-N 3.1Å; E758-K761 WeakPolarHBondContact O-CB 3.37Å; E758-K761 PolarHBondContact O-N 2.95Å; E758-K761 VanDerWaalsContact O-N 3.17Å; E759-K761 VanDerWaalsContact C-N 3.29Å; E759-K761 PolarHBondContact O-N 3.17Å; K761-F763 PolarHBondContact O-N 3.48Å; K761-K764 PolarHBondContact O-N 3.25Å
762Y71.5Confident64.7Low203 Ų203128.6 Ų128.680%0.79665%0.648SS**Hα-helixtrans-64.9-27.6175.6-160.4-93.1000112.4E758 E759 L760E758-Y762 PolarHBondContact O-N 3.18Å; E759-Y762 WeakPolarHBondContact O-CB 3.39Å; E759-Y762 PolarHBondContact O-N 3.27Å; E759-Y762 VanDerWaalsContact O-N 3.11Å; L760-Y762 VanDerWaalsContact C-N 3.3Å; L760-Y762 PolarHBondContact O-N 3.22Å
763F70.4Confident63.9Low165 Ų165129.4 Ų129.472%0.72466%0.656SS**Hα-helixtrans-85.9-12.9175.8-83.3-80.8000114.8E759 L760 K761 P765E759-F763 WeakPolarHBondContact O-CD2 3.09Å; E759-F763 PolarHBondContact O-N 2.99Å; L760-F763 PolarHBondContact O-N 3.1Å; K761-F763 PolarHBondContact O-N 3.48Å; F763-P765 WeakPolarHBondContact O-CD 3.48Å
764K56.1Low62.9Low153 Ų153129 Ų12967%0.66566%0.659SS**SBendtrans-86.1104.7170-79.3-171.4176.3-175.30107.9L760 K761L760-K764 PolarHBondContact O-N 3.08Å; K761-K764 PolarHBondContact O-N 3.25Å
765P49.5Very low61.9Low100 Ų100129.2 Ų129.265%0.64967%0.67SS**  trans-58.8143.7169.525.7-32.5000108.8F763 N767F763-P765 WeakPolarHBondContact O-CD 3.48Å; P765-N767 PolarHBondContact O-N 2.66Å
766D49Very low61.3Low159 Ų159134.6 Ų134.685%0.8570%0.702SS**  trans-5683.9173.1-71.2-46.4000110.5V768D766-V768 PolarHBondContact O-N 3.49Å
767N45.6Very low60.1Low146 Ų146136.3 Ų136.378%0.78171%0.71SS**  trans-80.673.3159.3-83.5-7000107.6P765P765-N767 PolarHBondContact O-N 2.66Å
768V43.3Very low58.5Low123 Ų123139.3 Ų139.375%0.74573%0.73SS**  trans-118.276.1153.4-173.50000106.4D766D766-V768 PolarHBondContact O-N 3.49Å
769C38.7Very low56.8Low119 Ų119141.5 Ų141.580%0.80475%0.746SS**  trans-76.9120.6148-73.50000106.6
770T35.9Very low55.1Low121 Ų121143.9 Ų143.974%0.74277%0.765SS**  trans-56151.1161.542.30000110.6
771P40.9Very low52.9Low196 Ų196147.5 Ų147.5100%1.27378%0.784SS**  -102.90118.4-9.225000111.4

Retrieved 771 of 771 residues in 252.6 ms (Link to these results)

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