A0A096NLS7_PAPAN Loading...

DNA repair endonuclease XPF

Catalytic component of a structure-specific DNA repair endonuclease responsible for the 5-prime incision during DNA repair, and which is essential for nucleotide excision repair (NER) and interstrand cross-link (ICL) repair.

AlphaFold DB , UniProt , Accession A0A096NLS7, Species PAPAN (Papio anubis, Olive baboon), Gene ERCC4, Length 916 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
1M35.2Very low38.5Very low248 Ų248148.7 Ų148.7100%1.22276%0.76SS**  0116.70-64.7172.4-17700105.5
2E24.3Very low40.8Very low182 Ų182138.5 Ų138.585%0.8571%0.707SS**PPolyproline II helixtrans-78.3154.2171.6-67.2173.6134.600108.6
3P40.1Very low42.9Very low122 Ų122129 Ų12979%0.79266%0.662SS**PPolyproline II helixtrans-63.9147.717428.8-34.9000110.4L5P3-L5 PolarHBondContact O-N 3.11Å
4E30.9Very low45.8Very low195 Ų195127.4 Ų127.491%0.91167%0.665SS**PPolyproline II helixtrans-61.4129.8-176.7-63.3177135.300111.1
5L28.6Very low48.5Very low157 Ų157120.9 Ų120.982%0.82263%0.63SS**PPolyproline II helixtrans-61.6136.4174.6-75.2163.1000109.4P3 A7P3-L5 PolarHBondContact O-N 3.11Å; L5-A7 PolarHBondContact O-N 2.79Å
6P36.3Very low51Low114 Ų114114 Ų11474%0.7460%0.595SS**PPolyproline II helixtrans-58138.617426-34.1000109.5R8P6-R8 PolarHBondContact O-N 2.96Å
7A34Very low53.2Low91 Ų91114.6 Ų114.675%0.75259%0.594SS**PPolyproline II helixtrans-47.3126.2-175.100000111L5 R9L5-A7 PolarHBondContact O-N 2.79Å; A7-R9 PolarHBondContact O-N 2.61Å
8R38.8Very low55.2Low233 Ų233108.8 Ų108.888%0.87956%0.563SS**  trans-60101.7-179.2-80.6-176.1171.9-179.8-2.3109P6 T10P6-R8 PolarHBondContact O-N 2.96Å; R8-T10 VanDerWaalsContact C-N 3.33Å; R8-T10 PolarHBondContact O-N 2.83Å
9R44.8Very low57.1Low201 Ų201103.1 Ų103.176%0.75853%0.534SS*.  trans-59.695.5169.9-69.4-178.7175.3172.7-1.4108.2A7 I78A7-R9 PolarHBondContact O-N 2.61Å; R9-I78 HydrophobicContact CB-CD1 4.12Å; R9-I78 HydrophobicContact CB-CG1 4.41Å; R9-I78 HydrophobicContact CB-CG2 4.36Å; R9-I78 WeakPolarHBondContact O-CG2 3.39Å
10T53Low58.8Low65 Ų65105.8 Ų105.840%0.39954%0.536SS..PPolyproline II helixtrans-74.1128.3175.552.40000108.9R8R8-T10 VanDerWaalsContact C-N 3.33Å; R8-T10 PolarHBondContact O-N 2.83Å
11A57.3Low60.4Low28 Ų28104.7 Ų104.723%0.23153%0.529CS..PPolyproline II helixtrans-56.3168.7162.800000111.1A13 I78 E79A11-A13 PolarHBondContact O-N 3.08Å; A11-I78 HydrophobicContact CB-CG2 4.2Å; A11-E79 HydrophobicContact CB-CG 3.43Å; A11-E79 VanDerWaalsContact CB-CG 3.43Å
12M66.2Low63.1Low26 Ų2693 Ų9313%0.12847%0.472CS..SBendtrans-47.6129.6174.8-87.3-153.5174.800111.6R43 Y46 Y71 F72M12-R43 HydrophobicContact CE-CG 4.35Å; M12-R43 HydrophobicContact SD-CB 4.43Å; M12-R43 HydrophobicContact SD-CG 3.9Å; M12-Y46 HydrophobicContact CB-CD1 4.04Å; M12-Y46 HydrophobicContact CB-CE1 3.8Å; M12-Y46 HydrophobicContact CG-CD1 4.17Å; M12-Y46 HydrophobicContact CG-CE1 4.19Å; M12-Y46 HydrophobicContact CG-CG 4.47Å; M12-Y46 HydrophobicContact SD-CD1 3.71Å; M12-Y46 HydrophobicContact SD-CD2 4.36Å; M12-Y46 HydrophobicContact SD-CE1 4.33Å; M12-Y46 HydrophobicContact SD-CG 3.72Å; M12-Y71 HydrophobicContact CE-CE1 3.78Å; M12-F72 HydrophobicContact CE-CE1 4.34Å
13A68.8Low66.4Low15 Ų1585 Ų8512%0.12444%0.436CS..PPolyproline II helixtrans-56.7142.9177.800000111A11 R43A11-A13 PolarHBondContact O-N 3.08Å; A13-R43 PolarHBondContact O-NH1 2.78Å; A13-R43 PolarHBondContact O-NH2 3.46Å
14P82.3Confident68.9Low107 Ų10785.1 Ų85.170%0.69543%0.429SS*.PPolyproline II helixtrans-57.3158.8-172.723.6-35.1000113.2L16 R43P14-L16 PolarHBondContact O-N 3.4Å; P14-R43 PolarHBondContact O-NH2 2.81Å
15L86.8Confident71.8Confident29 Ų2978.7 Ų78.715%0.15240%0.399CS..PPolyproline II helixtrans-65.7130.3-179-66.5-174.1000112.3E19 R20 V23 R43 H47L15-E19 WeakPolarHBondContact CA-OE2 3.45Å; L15-E19 HydrophobicContact CB-CB 4.18Å; L15-E19 HydrophobicContact CD2-CB 4.15Å; L15-R20 PolarHBondContact O-NH2 3.11Å; L15-V23 HydrophobicContact CD1-CG2 3.79Å; L15-R43 HydrophobicContact CD2-CB 4.3Å; L15-H47 HydrophobicContact CD1-CB 3.93Å
16L89.1Confident74.8Confident11 Ų1171.3 Ų71.36%0.05836%0.36CS..PPolyproline II helixtrans-67.1163.9173.8-53.1175.3000110.1P14 Y18 E19 R20 F203 I593 A596P14-L16 PolarHBondContact O-N 3.4Å; L16-Y18 HydrophobicContact CB-CD1 4.14Å; L16-Y18 HydrophobicContact CB-CE1 4Å; L16-Y18 HydrophobicContact CD1-CE1 3.7Å; L16-Y18 HydrophobicContact CG-CE1 4.49Å; L16-Y18 PolarHBondContact O-N 3.44Å; L16-E19 HydrophobicContact CB-CG 4.16Å; L16-E19 WeakPolarHBondContact CB-OE2 3.38Å; L16-E19 WeakPolarHBondContact CG-OE2 3.47Å; L16-E19 PolarHBondContact N-OE2 2.82Å; L16-E19 WeakPolarHBondContact O-CB 3.49Å; L16-E19 PolarHBondContact O-N 2.8Å; L16-E19 VanDerWaalsContact O-N 3.17Å; L16-R20 PolarHBondContact O-N 3.13Å; L16-F203 HydrophobicContact CB-CD1 4.49Å; L16-F203 HydrophobicContact CB-CE1 3.76Å; L16-F203 HydrophobicContact CB-CZ 4.04Å; L16-F203 HydrophobicContact CD1-CE1 4.05Å; L16-F203 HydrophobicContact CD2-CE1 3.88Å; L16-F203 HydrophobicContact CD2-CZ 4.02Å; L16-F203 HydrophobicContact CG-CE1 4.09Å; L16-I593 HydrophobicContact CD1-CD1 4.23Å; L16-I593 HydrophobicContact CD1-CG2 4.13Å; L16-A596 HydrophobicContact CD1-CB 4.36Å
17E88.4Confident77.5Confident125 Ų12570.1 Ų70.158%0.58435%0.347SS*.Hα-helixtrans-63.3-40.9-171.8-63.1-176.7155.700112.7R20 Q21 F203E17-R20 WeakPolarHBondContact O-CB 3.31Å; E17-R20 PolarHBondContact O-N 3.03Å; E17-Q21 PolarHBondContact O-N 3.08Å; E17-Q21 VanDerWaalsContact O-N 3.12Å; E17-F203 HydrophobicContact CB-CD2 3.95Å; E17-F203 HydrophobicContact CB-CE2 3.96Å; E17-F203 HydrophobicContact CG-CD2 4.09Å; E17-F203 HydrophobicContact CG-CE2 3.67Å; E17-F203 WeakPolarHBondContact OE2-CD2 3.14Å
18Y89.4Confident80.1Confident9 Ų972.4 Ų72.44%0.03535%0.346CS..Hα-helixtrans-68.4-34.9176.580.1-98.2000112.5L16 R20 Q21 L22 L39 W193 V200 F203 I593L16-Y18 HydrophobicContact CB-CD1 4.14Å; L16-Y18 HydrophobicContact CB-CE1 4Å; L16-Y18 HydrophobicContact CD1-CE1 3.7Å; L16-Y18 HydrophobicContact CG-CE1 4.49Å; L16-Y18 PolarHBondContact O-N 3.44Å; Y18-R20 VanDerWaalsContact C-N 3.3Å; Y18-Q21 PolarHBondContact O-N 3.38Å; Y18-L22 PolarHBondContact O-N 2.85Å; Y18-L39 HydrophobicContact CE2-CG 4.33Å; Y18-L39 PolarHBondContact OH-O 3.28Å; Y18-W193 HydrophobicContact CD2-CE3 4.27Å; Y18-W193 HydrophobicContact CD2-CZ3 4.26Å; Y18-V200 HydrophobicContact CD2-CG2 3.99Å; Y18-V200 HydrophobicContact CG-CG2 4.17Å; Y18-F203 AromaticContact CD1-CD1 3.98Å; Y18-F203 HydrophobicContact CD1-CD1 3.98Å; Y18-F203 HydrophobicContact CD1-CG 4.46Å; Y18-F203 HydrophobicContact CE1-CD1 4.34Å; Y18-I593 HydrophobicContact CE1-CD1 4.41Å; Y18-I593 WeakPolarHBondContact OH-CD1 3.11Å
19E90.9Very high82.5Confident1 Ų163.1 Ų63.11%0.00532%0.316CS..Hα-helixtrans-66.3-36.4174.9-61.7177.7133.100110.6L15 L16 L22 V23 R43 L44L15-E19 WeakPolarHBondContact CA-OE2 3.45Å; L15-E19 HydrophobicContact CB-CB 4.18Å; L15-E19 HydrophobicContact CD2-CB 4.15Å; L16-E19 HydrophobicContact CB-CG 4.16Å; L16-E19 WeakPolarHBondContact CB-OE2 3.38Å; L16-E19 WeakPolarHBondContact CG-OE2 3.47Å; L16-E19 PolarHBondContact N-OE2 2.82Å; L16-E19 WeakPolarHBondContact O-CB 3.49Å; L16-E19 PolarHBondContact O-N 2.8Å; L16-E19 VanDerWaalsContact O-N 3.17Å; E19-L22 PolarHBondContact O-N 2.99Å; E19-V23 WeakPolarHBondContact O-CG2 3.38Å; E19-V23 PolarHBondContact O-N 3.33Å; E19-R43 IonicContact OE1-CZ 2.88Å; E19-R43 IonicContact OE1-NE 2.72Å; E19-R43 PolarHBondContact OE1-NE 2.96Å; E19-R43 IonicContact OE1-NH2 2.78Å; E19-R43 IonicContact OE2-CZ 3.8Å; E19-R43 IonicContact OE2-NE 3.29Å; E19-R43 PolarHBondContact OE2-NE 2.99Å; E19-R43 IonicContact OE2-NH2 3.25Å; E19-R43 PolarHBondContact OE2-NH2 3.01Å; E19-L44 HydrophobicContact CB-CD2 3.94Å; E19-L44 HydrophobicContact CG-CD2 4.29Å
20R91.5Very high84.7Confident156 Ų15653.8 Ų53.859%0.58928%0.281SS*.Hα-helixtrans-67.7-38.8177.4-165.1178.9-54.5172.19.5112.7L15 L16 E17 Y18 L24L15-R20 PolarHBondContact O-NH2 3.11Å; L16-R20 PolarHBondContact O-N 3.13Å; E17-R20 WeakPolarHBondContact O-CB 3.31Å; E17-R20 PolarHBondContact O-N 3.03Å; Y18-R20 VanDerWaalsContact C-N 3.3Å; R20-L24 WeakPolarHBondContact O-CB 3.03Å; R20-L24 PolarHBondContact O-N 3.24Å
21Q91.6Very high86.5Confident84 Ų8450.7 Ų50.739%0.39326%0.262SS..Hα-helixtrans-60.1-49.2171.9-177.8-173.6-22.400110.7E17 Y18 V23 L24 E25 W193E17-Q21 PolarHBondContact O-N 3.08Å; E17-Q21 VanDerWaalsContact O-N 3.12Å; Y18-Q21 PolarHBondContact O-N 3.38Å; Q21-V23 PolarHBondContact O-N 3.13Å; Q21-L24 WeakPolarHBondContact O-CB 3.2Å; Q21-L24 PolarHBondContact O-N 2.93Å; Q21-L24 VanDerWaalsContact O-N 3.13Å; Q21-E25 WeakPolarHBondContact CG-OE1 3.27Å; Q21-E25 PolarHBondContact NE2-OE1 3.47Å; Q21-E25 PolarHBondContact O-N 3.3Å; Q21-W193 HydrophobicContact CB-CH2 4.41Å; Q21-W193 HydrophobicContact CG-CH2 4.36Å; Q21-W193 HydrophobicContact CG-CZ2 4.38Å
22L91.8Very high88.3Confident3 Ų349.4 Ų49.42%0.01625%0.251CS..Hα-helixtrans-63.3-38.9179.8174.950.1000112.7Y18 E19 L26 V33 L44 W193Y18-L22 PolarHBondContact O-N 2.85Å; E19-L22 PolarHBondContact O-N 2.99Å; L22-L26 VanDerWaalsContact O-CB 3.29Å; L22-L26 WeakPolarHBondContact O-CB 3.44Å; L22-L26 PolarHBondContact O-N 3.21Å; L22-V33 HydrophobicContact CD1-CG1 4.03Å; L22-V33 HydrophobicContact CD1-CG2 3.99Å; L22-V33 HydrophobicContact CD2-CG1 3.93Å; L22-V33 HydrophobicContact CG-CG1 4.46Å; L22-L44 HydrophobicContact CD2-CD1 3.44Å; L22-L44 VanDerWaalsContact CD2-CD1 3.44Å; L22-L44 HydrophobicContact CD2-CD2 4.3Å; L22-L44 HydrophobicContact CG-CD1 4.04Å; L22-L44 HydrophobicContact CG-CD2 4.46Å; L22-W193 HydrophobicContact CB-CZ2 4.26Å; L22-W193 HydrophobicContact CD2-CB 4.49Å; L22-W193 HydrophobicContact CD2-CD2 4.21Å; L22-W193 HydrophobicContact CD2-CG 3.92Å
23V93.1Very high89.6Confident14 Ų1448.1 Ų48.19%0.08525%0.245CC..Hα-helixtrans-62.2-41.4171.8165.20000111.6L15 E19 Q21 L26 L27 L44 F48L15-V23 HydrophobicContact CD1-CG2 3.79Å; E19-V23 WeakPolarHBondContact O-CG2 3.38Å; E19-V23 PolarHBondContact O-N 3.33Å; Q21-V23 PolarHBondContact O-N 3.13Å; V23-L26 PolarHBondContact O-N 2.92Å; V23-L27 VanDerWaalsContact O-CB 3.26Å; V23-L27 WeakPolarHBondContact O-CB 3.28Å; V23-L27 PolarHBondContact O-N 2.93Å; V23-L44 HydrophobicContact CG2-CD2 4.14Å; V23-F48 HydrophobicContact CG1-CZ 4.4Å; V23-F48 HydrophobicContact CG2-CE2 4.13Å
24L93.4Very high90.8Very high123 Ų12347.5 Ų47.564%0.64424%0.24SC*.Hα-helixtrans-64.9-47.1178.9-177.164.3000111.9R20 Q21 L26 L27 D28R20-L24 WeakPolarHBondContact O-CB 3.03Å; R20-L24 PolarHBondContact O-N 3.24Å; Q21-L24 WeakPolarHBondContact O-CB 3.2Å; Q21-L24 PolarHBondContact O-N 2.93Å; Q21-L24 VanDerWaalsContact O-N 3.13Å; L24-L26 VanDerWaalsContact C-N 3.34Å; L24-L26 PolarHBondContact O-N 3.03Å; L24-L27 PolarHBondContact O-N 3.15Å; L24-D28 PolarHBondContact O-N 3.39Å
25E90.8Very high91.3Very high61 Ų6142.6 Ų42.629%0.28521%0.208SC..Hα-helixtrans-59.5-42.1176.2-72175.1-159.900112.2Q21 T29 Y191Q21-E25 WeakPolarHBondContact CG-OE1 3.27Å; Q21-E25 PolarHBondContact NE2-OE1 3.47Å; Q21-E25 PolarHBondContact O-N 3.3Å; E25-T29 PolarHBondContact O-N 3.48Å; E25-Y191 HydrophobicContact CB-CD1 4.39Å; E25-Y191 HydrophobicContact CB-CE1 3.82Å; E25-Y191 PolarHBondContact O-OH 2.99Å; E25-Y191 WeakPolarHBondContact OE2-CD1 3.18Å
26L92.9Very high91.5Very high1 Ų141.3 Ų41.31%0.00520%0.201CC..Hα-helixtrans-81.8-19.9-177.4-163.471.5000113.6L22 V23 L24 V33 F48 K162 F164 Y191L22-L26 VanDerWaalsContact O-CB 3.29Å; L22-L26 WeakPolarHBondContact O-CB 3.44Å; L22-L26 PolarHBondContact O-N 3.21Å; V23-L26 PolarHBondContact O-N 2.92Å; L24-L26 VanDerWaalsContact C-N 3.34Å; L24-L26 PolarHBondContact O-N 3.03Å; L26-V33 HydrophobicContact CD1-CG2 3.68Å; L26-V33 HydrophobicContact CD2-CG2 3.64Å; L26-V33 HydrophobicContact CG-CG2 4.22Å; L26-F48 HydrophobicContact CB-CZ 4.12Å; L26-F48 HydrophobicContact CD2-CE2 3.79Å; L26-F48 HydrophobicContact CD2-CZ 3.98Å; L26-F48 HydrophobicContact CG-CZ 4.26Å; L26-K162 HydrophobicContact CD2-CB 4.38Å; L26-K162 HydrophobicContact CD2-CD 4.49Å; L26-K162 HydrophobicContact CG-CD 4.2Å; L26-K162 HydrophobicContact CG-CG 4.36Å; L26-K162 WeakPolarHBondContact O-CE 3.2Å; L26-K162 PolarHBondContact O-NZ 3.39Å; L26-F164 HydrophobicContact CD2-CE1 3.48Å; L26-F164 VanDerWaalsContact CD2-CE1 3.48Å; L26-F164 HydrophobicContact CD2-CZ 3.51Å; L26-Y191 HydrophobicContact CD1-CD2 3.81Å; L26-Y191 HydrophobicContact CD1-CE2 3.66Å
27L91.6Very high91.4Very high89 Ų8945.2 Ų45.247%0.46622%0.215SC..Hα-helixtrans-69.3-44.5174.7-178.361.3000110.7V23 L24 F48 L51V23-L27 VanDerWaalsContact O-CB 3.26Å; V23-L27 WeakPolarHBondContact O-CB 3.28Å; V23-L27 PolarHBondContact O-N 2.93Å; L24-L27 PolarHBondContact O-N 3.15Å; L27-F48 HydrophobicContact CD1-CE1 4.43Å; L27-L51 HydrophobicContact CD1-CD2 3.94Å
28D89.2Confident91.1Very high139 Ų13940 Ų4074%0.74320%0.195SC*.Hα-helixtrans-70.6-54.8179.2176.270.3000112.8L24L24-D28 PolarHBondContact O-N 3.39Å
29T89.1Confident91Very high38 Ų3839.8 Ų39.823%0.23319%0.194CC..SBendtrans-119.9131.1-175.3-59.20000113.3E25 K189 Y191E25-T29 PolarHBondContact O-N 3.48Å; T29-K189 HydrophobicContact CG2-CB 4.41Å; T29-K189 HydrophobicContact CG2-CD 4.37Å; T29-K189 HydrophobicContact CG2-CG 3.38Å; T29-Y191 PolarHBondContact O-OH 3.41Å
30D90.6Very high90.6Very high6 Ų640.3 Ų40.33%0.03220%0.2CC..  trans-63.6137.1176.5-79.2-8.1000113.2F160 I161 K162 K189 R649D30-F160 WeakPolarHBondContact OD1-CB 3.39Å; D30-F160 VanDerWaalsContact OD2-CA 3.28Å; D30-F160 WeakPolarHBondContact OD2-CA 3.23Å; D30-F160 WeakPolarHBondContact OD2-CB 3.26Å; D30-I161 WeakPolarHBondContact CB-O 3.44Å; D30-I161 VanDerWaalsContact CG-O 3.26Å; D30-I161 PolarHBondContact OD2-N 2.74Å; D30-K162 IonicContact OD1-NZ 3.63Å; D30-K162 PolarHBondContact OD1-NZ 3.35Å; D30-K189 PolarHBondContact O-N 3.09Å; D30-R649 IonicContact OD2-NH2 2.71Å; D30-R649 PolarHBondContact OD2-NH2 2.74Å
31G91.8Very high90.5Very high0 Ų033.1 Ų33.10%017%0.174CC..EExtended strand (participates in β ladder)trans-170.3171-174.300000115.9A163 K189G31-A163 PolarHBondContact O-N 3.04Å; G31-A163 VanDerWaalsContact O-N 3.11Å; G31-K189 CarbonylContact C-O 3.29Å; G31-K189 WeakPolarHBondContact CA-O 3.49Å
32L94Very high90.3Very high0 Ų030.7 Ų30.70%016%0.164CC..EExtended strand (participates in β ladder)trans-94.6122169.3173.659.4000109.7V34 A136 A163 T165 F171 V181 M182 L185 V187 K189 L190 Y191L32-V34 HydrophobicContact CD2-CG2 4.43Å; L32-V34 HydrophobicContact CG-CG2 4.15Å; L32-A136 HydrophobicContact CD1-CB 3.69Å; L32-A163 HydrophobicContact CD1-CB 3.79Å; L32-T165 HydrophobicContact CD1-CG2 3.95Å; L32-F171 HydrophobicContact CD2-CE1 4.18Å; L32-F171 HydrophobicContact CD2-CZ 4.21Å; L32-V181 HydrophobicContact CD2-CG1 4.47Å; L32-M182 HydrophobicContact CD2-CG 4.15Å; L32-L185 HydrophobicContact CB-CD1 4.23Å; L32-L185 HydrophobicContact CD1-CD1 4.06Å; L32-L185 HydrophobicContact CD2-CD1 4.15Å; L32-L185 HydrophobicContact CG-CD1 4.38Å; L32-V187 HydrophobicContact CB-CG2 4.33Å; L32-K189 PolarHBondContact N-O 3.47Å; L32-L190 HydrophobicContact CB-CD1 4.13Å; L32-L190 HydrophobicContact CD2-CD1 3.96Å; L32-L190 HydrophobicContact CG-CD1 3.99Å; L32-Y191 PolarHBondContact O-N 3.44Å
33V94.6Very high90.2Very high0 Ų031.8 Ų31.80%017%0.168CC..EExtended strand (participates in β ladder)trans-98.7118.2174.1-179.90000109.9L22 L26 L44 A163 F164 T165 Y191L22-V33 HydrophobicContact CD1-CG1 4.03Å; L22-V33 HydrophobicContact CD1-CG2 3.99Å; L22-V33 HydrophobicContact CD2-CG1 3.93Å; L22-V33 HydrophobicContact CG-CG1 4.46Å; L26-V33 HydrophobicContact CD1-CG2 3.68Å; L26-V33 HydrophobicContact CD2-CG2 3.64Å; L26-V33 HydrophobicContact CG-CG2 4.22Å; V33-L44 HydrophobicContact CG1-CD1 4.3Å; V33-A163 PolarHBondContact N-O 3.47Å; V33-F164 HydrophobicContact CB-CD1 4.07Å; V33-F164 HydrophobicContact CG1-CD1 4.48Å; V33-F164 HydrophobicContact CG2-CD1 4.29Å; V33-F164 HydrophobicContact CG2-CE1 4.27Å; V33-T165 WeakPolarHBondContact O-CG2 3.46Å; V33-T165 PolarHBondContact O-N 2.78Å; V33-Y191 WeakPolarHBondContact CA-O 3.43Å; V33-Y191 HydrophobicContact CG2-CD2 4.27Å
34V94.6Very high90.1Very high2 Ų231.3 Ų31.31%0.01217%0.165CC..EExtended strand (participates in β ladder)trans-109.198.4172.4-170.10000108.8L32 T165 A168 F171 L190 Y191 L192 W193 F630 L633L32-V34 HydrophobicContact CD2-CG2 4.43Å; L32-V34 HydrophobicContact CG-CG2 4.15Å; V34-T165 WeakPolarHBondContact CA-O 3.31Å; V34-T165 HydrophobicContact CB-CG2 4.29Å; V34-T165 HydrophobicContact CG1-CG2 4.3Å; V34-T165 HydrophobicContact CG2-CG2 3.89Å; V34-A168 HydrophobicContact CG1-CB 4.01Å; V34-F171 HydrophobicContact CG2-CE2 4.43Å; V34-L190 HydrophobicContact CG2-CD1 3.99Å; V34-Y191 PolarHBondContact N-O 2.93Å; V34-L192 HydrophobicContact CB-CD2 3.79Å; V34-L192 HydrophobicContact CG2-CD2 3.91Å; V34-W193 PolarHBondContact O-N 3.32Å; V34-F630 HydrophobicContact CG1-CE1 4.01Å; V34-F630 HydrophobicContact CG1-CZ 4.2Å; V34-L633 HydrophobicContact CG1-CD1 4.42Å
35C92.8Very high90.1Very high4 Ų425.6 Ų25.63%0.02714%0.135CC..EExtended strand (participates in β ladder)trans-85.9156.5171.5-69.40000110.6A41 T165 D166C35-A41 HydrophobicContact CB-CB 4.08Å; C35-T165 PolarHBondContact N-O 2.79Å; C35-D166 CarbonylContact O-C 3.52Å; C35-D166 WeakPolarHBondContact O-CA 2.91Å
36A90.5Very high90.1Very high2 Ų223.2 Ų23.22%0.01712%0.123CC..PPolyproline II helixtrans-67.1150.6164.100000111G38 L39 W193 R195 F630A36-G38 PolarHBondContact O-N 3Å; A36-L39 HydrophobicContact CB-CB 4.3Å; A36-L39 HydrophobicContact CB-CD2 4.2Å; A36-L39 VanDerWaalsContact O-CB 3.22Å; A36-L39 WeakPolarHBondContact O-CB 3.46Å; A36-L39 PolarHBondContact O-N 3.41Å; A36-L39 VanDerWaalsContact O-N 3.13Å; A36-W193 PolarHBondContact N-O 3.46Å; A36-W193 VanDerWaalsContact N-O 3.09Å; A36-R195 HydrophobicContact CB-CB 4.25Å; A36-F630 HydrophobicContact CB-CE2 3.87Å; A36-F630 HydrophobicContact CB-CZ 4.15Å
37R86.8Confident90Very high93 Ų9326.1 Ų26.135%0.35114%0.137SC..THydrogen-bonded Turntrans-58.6135.5-179.3-66.9-170.8-173.4164.15.8110.7L39 D166 N167 T586 R589 E626R37-L39 VanDerWaalsContact C-N 3.25Å; R37-L39 PolarHBondContact O-N 3.49Å; R37-D166 WeakPolarHBondContact CG-O 3.38Å; R37-D166 PolarHBondContact N-O 3.31Å; R37-N167 PolarHBondContact NH2-OD1 3.42Å; R37-T586 HydrophobicContact CB-CG2 4.28Å; R37-R589 WeakPolarHBondContact O-CD 3.48Å; R37-R589 PolarHBondContact O-NH1 2.71Å; R37-E626 PolarHBondContact N-OE1 2.88Å
38G83Confident90Very high16 Ų1622 Ų2217%0.16512%0.115CC..THydrogen-bonded Turntrans74.32-179.500000116A36 G40A36-G38 PolarHBondContact O-N 3Å; G38-G40 VanDerWaalsContact C-N 3.27Å; G38-G40 PolarHBondContact O-N 3.32Å
39L86.4Confident90.2Very high3 Ų315.5 Ų15.52%0.0168%0.08CC..SBendtrans-83.15.9-179.5-161.167000114.2Y18 A36 R37 W193 V200 L204 I593Y18-L39 HydrophobicContact CE2-CG 4.33Å; Y18-L39 PolarHBondContact OH-O 3.28Å; A36-L39 HydrophobicContact CB-CB 4.3Å; A36-L39 HydrophobicContact CB-CD2 4.2Å; A36-L39 VanDerWaalsContact O-CB 3.22Å; A36-L39 WeakPolarHBondContact O-CB 3.46Å; A36-L39 PolarHBondContact O-N 3.41Å; A36-L39 VanDerWaalsContact O-N 3.13Å; R37-L39 VanDerWaalsContact C-N 3.25Å; R37-L39 PolarHBondContact O-N 3.49Å; L39-W193 WeakPolarHBondContact CD2-O 3.46Å; L39-V200 HydrophobicContact CD1-CG1 3.86Å; L39-V200 HydrophobicContact CD2-CG1 4.19Å; L39-V200 HydrophobicContact CD2-CG2 4.44Å; L39-L204 HydrophobicContact CD1-CD1 4.3Å; L39-I593 HydrophobicContact CD1-CD1 4.31Å
40G82.9Confident90.2Very high12 Ų1219.7 Ų19.712%0.1249%0.092CC..SBendtrans96.324.1173.200000117G38 D42 R43 L44G38-G40 VanDerWaalsContact C-N 3.27Å; G38-G40 PolarHBondContact O-N 3.32Å; G40-D42 PolarHBondContact O-N 3.29Å; G40-R43 WeakPolarHBondContact O-CB 3.2Å; G40-R43 PolarHBondContact O-N 2.66Å; G40-L44 PolarHBondContact O-N 3.06Å
41A88.1Confident90.2Very high5 Ų522.6 Ų22.64%0.04111%0.107CC..Hα-helixtrans-48.7-36.2174.300000113.1C35 R43 L44 L45C35-A41 HydrophobicContact CB-CB 4.08Å; A41-R43 VanDerWaalsContact C-N 3.32Å; A41-R43 PolarHBondContact O-N 2.94Å; A41-L44 VanDerWaalsContact O-CB 3.29Å; A41-L44 WeakPolarHBondContact O-CB 3.24Å; A41-L44 PolarHBondContact O-N 3.36Å; A41-L45 PolarHBondContact O-N 3.21Å
42D89.3Confident90.1Very high34 Ų3423.5 Ų23.518%0.18211%0.111CC..Hα-helixtrans-69-29.5-178.5-40.4-9.9000112.4G40 L45 Y46 F72 Y134 Y564G40-D42 PolarHBondContact O-N 3.29Å; D42-L45 PolarHBondContact O-N 3.13Å; D42-Y46 WeakPolarHBondContact O-CB 3.08Å; D42-Y46 PolarHBondContact O-N 3.38Å; D42-F72 HydrophobicContact CB-CZ 4.39Å; D42-Y134 PolarHBondContact OD1-OH 2.94Å; D42-Y564 HydrophobicContact CB-CE1 4.26Å; D42-Y564 WeakPolarHBondContact CB-OH 3.45Å; D42-Y564 WeakPolarHBondContact OD2-CE1 3.49Å; D42-Y564 PolarHBondContact OD2-OH 3.01Å
43R88.5Confident89.8Confident25 Ų2523.8 Ų23.89%0.09411%0.113CC..Hα-helixtrans-72.5-33.2174.2-66163.348.474.42.4110.9M12 A13 P14 L15 E19 G40 A41 H47M12-R43 HydrophobicContact CE-CG 4.35Å; M12-R43 HydrophobicContact SD-CB 4.43Å; M12-R43 HydrophobicContact SD-CG 3.9Å; A13-R43 PolarHBondContact O-NH1 2.78Å; A13-R43 PolarHBondContact O-NH2 3.46Å; P14-R43 PolarHBondContact O-NH2 2.81Å; L15-R43 HydrophobicContact CD2-CB 4.3Å; E19-R43 IonicContact OE1-CZ 2.88Å; E19-R43 IonicContact OE1-NE 2.72Å; E19-R43 PolarHBondContact OE1-NE 2.96Å; E19-R43 IonicContact OE1-NH2 2.78Å; E19-R43 IonicContact OE2-CZ 3.8Å; E19-R43 IonicContact OE2-NE 3.29Å; E19-R43 PolarHBondContact OE2-NE 2.99Å; E19-R43 IonicContact OE2-NH2 3.25Å; E19-R43 PolarHBondContact OE2-NH2 3.01Å; G40-R43 WeakPolarHBondContact O-CB 3.2Å; G40-R43 PolarHBondContact O-N 2.66Å; A41-R43 VanDerWaalsContact C-N 3.32Å; A41-R43 PolarHBondContact O-N 2.94Å; R43-H47 PolarHBondContact O-N 3.3Å
44L91.3Very high89.4Confident4 Ų429.2 Ų29.22%0.02114%0.138CC..Hα-helixtrans-65.3-48.4170.1-47.4172.7000110.2E19 L22 V23 V33 G40 A41 Y46 H47 F48 F164E19-L44 HydrophobicContact CB-CD2 3.94Å; E19-L44 HydrophobicContact CG-CD2 4.29Å; L22-L44 HydrophobicContact CD2-CD1 3.44Å; L22-L44 VanDerWaalsContact CD2-CD1 3.44Å; L22-L44 HydrophobicContact CD2-CD2 4.3Å; L22-L44 HydrophobicContact CG-CD1 4.04Å; L22-L44 HydrophobicContact CG-CD2 4.46Å; V23-L44 HydrophobicContact CG2-CD2 4.14Å; V33-L44 HydrophobicContact CG1-CD1 4.3Å; G40-L44 PolarHBondContact O-N 3.06Å; A41-L44 VanDerWaalsContact O-CB 3.29Å; A41-L44 WeakPolarHBondContact O-CB 3.24Å; A41-L44 PolarHBondContact O-N 3.36Å; L44-Y46 VanDerWaalsContact C-N 3.32Å; L44-Y46 PolarHBondContact O-N 3.09Å; L44-H47 WeakPolarHBondContact O-CB 3.2Å; L44-H47 PolarHBondContact O-N 3.06Å; L44-H47 VanDerWaalsContact O-N 3.1Å; L44-F48 WeakPolarHBondContact O-CD2 3.46Å; L44-F48 PolarHBondContact O-N 2.68Å; L44-F164 HydrophobicContact CB-CD1 4.34Å; L44-F164 HydrophobicContact CB-CE1 3.9Å; L44-F164 HydrophobicContact CD1-CD1 4.46Å; L44-F164 HydrophobicContact CD1-CE1 4.41Å
45L92.3Very high88.8Confident3 Ų332.7 Ų32.72%0.01616%0.161CC..Hα-helixtrans-57.7-45.1177.1-175.169.9000111.3A41 D42 H47 F48 L49 F72 L132 Y134 F164A41-L45 PolarHBondContact O-N 3.21Å; D42-L45 PolarHBondContact O-N 3.13Å; L45-H47 VanDerWaalsContact C-N 3.32Å; L45-H47 PolarHBondContact O-N 2.9Å; L45-F48 PolarHBondContact O-N 2.95Å; L45-L49 VanDerWaalsContact O-CB 3.23Å; L45-L49 WeakPolarHBondContact O-CB 3.27Å; L45-L49 PolarHBondContact O-N 3.48Å; L45-F72 HydrophobicContact CD2-CE2 4.05Å; L45-F72 HydrophobicContact CD2-CZ 4.13Å; L45-L132 HydrophobicContact CD1-CB 4.41Å; L45-L132 HydrophobicContact CD1-CD1 4.48Å; L45-Y134 HydrophobicContact CD2-CD2 3.91Å; L45-Y134 HydrophobicContact CD2-CE2 4.29Å; L45-Y134 HydrophobicContact CD2-CG 4.1Å; L45-F164 HydrophobicContact CD1-CD2 3.87Å; L45-F164 HydrophobicContact CD1-CE2 4.04Å
46Y91.3Very high88.5Confident11 Ų1137.2 Ų37.24%0.04320%0.198CC..Hα-helixtrans-58.8-40.4174.9-178.4-102.3000112.7M12 D42 L44 L49 R50 F72 Q75 L76 E79M12-Y46 HydrophobicContact CB-CD1 4.04Å; M12-Y46 HydrophobicContact CB-CE1 3.8Å; M12-Y46 HydrophobicContact CG-CD1 4.17Å; M12-Y46 HydrophobicContact CG-CE1 4.19Å; M12-Y46 HydrophobicContact CG-CG 4.47Å; M12-Y46 HydrophobicContact SD-CD1 3.71Å; M12-Y46 HydrophobicContact SD-CD2 4.36Å; M12-Y46 HydrophobicContact SD-CE1 4.33Å; M12-Y46 HydrophobicContact SD-CG 3.72Å; D42-Y46 WeakPolarHBondContact O-CB 3.08Å; D42-Y46 PolarHBondContact O-N 3.38Å; L44-Y46 VanDerWaalsContact C-N 3.32Å; L44-Y46 PolarHBondContact O-N 3.09Å; Y46-L49 PolarHBondContact O-N 3.04Å; Y46-R50 WeakPolarHBondContact O-CB 3.41Å; Y46-R50 PolarHBondContact O-N 2.77Å; Y46-F72 AromaticContact CD2-CD1 3.97Å; Y46-F72 HydrophobicContact CD2-CD1 3.97Å; Y46-Q75 HydrophobicContact CD2-CB 4.49Å; Y46-Q75 HydrophobicContact CE2-CB 3.55Å; Y46-Q75 PolarHBondContact OH-O 3.17Å; Y46-L76 HydrophobicContact CE2-CD2 3.75Å; Y46-L76 HydrophobicContact CE2-CG 3.75Å; Y46-E79 PolarHBondContact OH-OE1 3.49Å
47H91.6Very high88.4Confident63 Ų6338.7 Ų38.729%0.29221%0.208SC..Hα-helixtrans-66.4-43.6177.3-173.173.5000112.8L15 R43 L44 L45 R50 L51L15-H47 HydrophobicContact CD1-CB 3.93Å; R43-H47 PolarHBondContact O-N 3.3Å; L44-H47 WeakPolarHBondContact O-CB 3.2Å; L44-H47 PolarHBondContact O-N 3.06Å; L44-H47 VanDerWaalsContact O-N 3.1Å; L45-H47 VanDerWaalsContact C-N 3.32Å; L45-H47 PolarHBondContact O-N 2.9Å; H47-R50 PolarHBondContact O-N 2.88Å; H47-L51 WeakPolarHBondContact O-CB 3.39Å; H47-L51 PolarHBondContact O-N 3.26Å
48F92.1Very high88.7Confident1 Ų134.6 Ų34.60%0.00419%0.193CC..Hα-helixtrans-67.2-37.9174.5-80.9-80.3000112.3V23 L26 L27 L44 L45 R50 L51 H52 L132 K162 F164V23-F48 HydrophobicContact CG1-CZ 4.4Å; V23-F48 HydrophobicContact CG2-CE2 4.13Å; L26-F48 HydrophobicContact CB-CZ 4.12Å; L26-F48 HydrophobicContact CD2-CE2 3.79Å; L26-F48 HydrophobicContact CD2-CZ 3.98Å; L26-F48 HydrophobicContact CG-CZ 4.26Å; L27-F48 HydrophobicContact CD1-CE1 4.43Å; L44-F48 WeakPolarHBondContact O-CD2 3.46Å; L44-F48 PolarHBondContact O-N 2.68Å; L45-F48 PolarHBondContact O-N 2.95Å; F48-R50 VanDerWaalsContact C-N 3.32Å; F48-R50 PolarHBondContact O-N 3.42Å; F48-L51 HydrophobicContact CD1-CD2 4.48Å; F48-L51 PolarHBondContact O-N 3.43Å; F48-H52 AromaticContact CD1-NE2 3.77Å; F48-H52 PolarHBondContact O-CD2 3.09Å; F48-H52 PolarHBondContact O-N 3.34Å; F48-L132 HydrophobicContact CB-CD1 4.17Å; F48-L132 HydrophobicContact CB-CD2 4.42Å; F48-K162 HydrophobicContact CD1-CD 4.29Å; F48-K162 HydrophobicContact CE1-CD 3.92Å; F48-K162 HydrophobicContact CZ-CD 4.42Å; F48-F164 HydrophobicContact CD2-CE1 4.41Å; F48-F164 AromaticContact CD2-CZ 3.65Å; F48-F164 HydrophobicContact CD2-CZ 3.65Å; F48-F164 HydrophobicContact CE2-CZ 4.02Å; F48-F164 HydrophobicContact CG-CZ 4.35Å
49L92.2Very high89.2Confident3 Ų333.8 Ų33.82%0.01619%0.185CC..Hα-helixtrans-59.2-42.2173.2178.165.7000111.7L45 Y46 C53 F72 L76 P85 V106 F108L45-L49 VanDerWaalsContact O-CB 3.23Å; L45-L49 WeakPolarHBondContact O-CB 3.27Å; L45-L49 PolarHBondContact O-N 3.48Å; Y46-L49 PolarHBondContact O-N 3.04Å; L49-C53 WeakPolarHBondContact O-CB 3.46Å; L49-C53 PolarHBondContact O-N 3.14Å; L49-F72 HydrophobicContact CD2-CB 3.8Å; L49-F72 HydrophobicContact CD2-CG 4.3Å; L49-L76 HydrophobicContact CD2-CD1 3.72Å; L49-L76 HydrophobicContact CG-CD1 3.83Å; L49-P85 HydrophobicContact CD1-CB 4.34Å; L49-P85 HydrophobicContact CD1-CG 3.83Å; L49-P85 HydrophobicContact CG-CG 4.3Å; L49-V106 HydrophobicContact CD1-CB 3.7Å; L49-V106 HydrophobicContact CD1-CG1 3.41Å; L49-V106 VanDerWaalsContact CD1-CG1 3.41Å; L49-V106 HydrophobicContact CD1-CG2 4.02Å; L49-F108 HydrophobicContact CD1-CZ 4.1Å; L49-F108 HydrophobicContact CD2-CZ 3.97Å
50R90.4Very high89.5Confident127 Ų12733.7 Ų33.748%0.47918%0.184SC..Hα-helixtrans-67-44.9173.7-179.3-179.6171.7164.4-4.2112.3Y46 H47 F48 H52 C53 L76 E79Y46-R50 WeakPolarHBondContact O-CB 3.41Å; Y46-R50 PolarHBondContact O-N 2.77Å; H47-R50 PolarHBondContact O-N 2.88Å; F48-R50 VanDerWaalsContact C-N 3.32Å; F48-R50 PolarHBondContact O-N 3.42Å; R50-H52 VanDerWaalsContact C-N 3.28Å; R50-H52 PolarHBondContact O-N 2.86Å; R50-C53 WeakPolarHBondContact O-CB 3.39Å; R50-C53 PolarHBondContact O-N 2.8Å; R50-L76 HydrophobicContact CB-CD2 3.98Å; R50-L76 HydrophobicContact CG-CD2 4.34Å; R50-E79 VanDerWaalsContact CD-OE2 3.23Å; R50-E79 WeakPolarHBondContact CD-OE2 3.24Å; R50-E79 IonicContact CZ-OE1 3.42Å; R50-E79 IonicContact CZ-OE2 2.69Å; R50-E79 IonicContact NE-OE2 2.65Å; R50-E79 PolarHBondContact NE-OE2 3.31Å; R50-E79 IonicContact NH1-OE1 2.84Å; R50-E79 PolarHBondContact NH1-OE1 2.77Å; R50-E79 IonicContact NH1-OE2 2.73Å; R50-E79 PolarHBondContact NH1-OE2 3.19Å
51L90Very high90.1Very high66 Ų6633.2 Ų33.235%0.34618%0.179SC..Hα-helixtrans-62.8-33.3-179.5-178.462.4000112.7L27 H47 F48 H54L27-L51 HydrophobicContact CD1-CD2 3.94Å; H47-L51 WeakPolarHBondContact O-CB 3.39Å; H47-L51 PolarHBondContact O-N 3.26Å; F48-L51 HydrophobicContact CD1-CD2 4.48Å; F48-L51 PolarHBondContact O-N 3.43Å; L51-H54 PolarHBondContact O-CD2 2.82Å
52H89Confident90.3Very high20 Ų2033 Ų339%0.09318%0.177CC..THydrogen-bonded Turntrans-99.99.5-179.5-59.5-55.6000114.1F48 R50 H54 V59 V106 F160F48-H52 AromaticContact CD1-NE2 3.77Å; F48-H52 PolarHBondContact O-CD2 3.09Å; F48-H52 PolarHBondContact O-N 3.34Å; R50-H52 VanDerWaalsContact C-N 3.28Å; R50-H52 PolarHBondContact O-N 2.86Å; H52-H54 PolarHBondContact O-N 2.76Å; H52-H54 VanDerWaalsContact O-N 3.09Å; H52-V59 HydrophobicContact CB-CB 4.36Å; H52-V59 HydrophobicContact CB-CG2 3.85Å; H52-V106 HydrophobicContact CB-CG2 4.02Å; H52-V106 VanDerWaalsContact O-CG2 3.24Å; H52-V106 WeakPolarHBondContact O-CG2 3.18Å; H52-F160 AromaticContact CD2-CZ 3.75Å; H52-F160 AromaticContact CE1-CE1 3.75Å; H52-F160 AromaticContact CE1-CZ 3.73Å; H52-F160 AromaticContact NE2-CE1 3.89Å; H52-F160 AromaticContact NE2-CZ 3.41Å; H52-F160 WeakPolarHBondContact NE2-CZ 3.29Å
53C88.5Confident90.4Very high5 Ų532.6 Ų32.63%0.03418%0.175CC..  trans-713.2179.6-116.50000115L49 R50 V81L49-C53 WeakPolarHBondContact O-CB 3.46Å; L49-C53 PolarHBondContact O-N 3.14Å; R50-C53 WeakPolarHBondContact O-CB 3.39Å; R50-C53 PolarHBondContact O-N 2.8Å; C53-V81 HydrophobicContact CB-CG1 4.05Å
54H85.4Confident90.4Very high115 Ų11532.5 Ų32.553%0.53218%0.177SC..SBendtrans-73.1136.1177.9-62.3-63.4000111.3L51 H52 A56 C57L51-H54 PolarHBondContact O-CD2 2.82Å; H52-H54 PolarHBondContact O-N 2.76Å; H52-H54 VanDerWaalsContact O-N 3.09Å; H54-A56 PolarHBondContact O-N 2.68Å; H54-A56 VanDerWaalsContact O-N 3.13Å; H54-C57 PolarHBondContact O-N 2.66Å
55P82.5Confident90.4Very high75 Ų7536.2 Ų36.249%0.48720%0.195SC..THydrogen-bonded Turntrans-64.3-21.5-176.525.9-35.1000113.6C57P55-C57 VanDerWaalsContact C-N 3.28Å; P55-C57 PolarHBondContact O-N 3.23Å
56A85.6Confident90.1Very high98 Ų9839.8 Ų39.881%0.8122%0.218SC*.THydrogen-bonded Turntrans-77.1-6.817600000114.4H54H54-A56 PolarHBondContact O-N 2.68Å; H54-A56 VanDerWaalsContact O-N 3.13Å
57C89.8Confident89.9Confident34 Ų3440.3 Ų40.323%0.2323%0.225CC..  trans-111.5137.8174.8-64.20000109.6H54 P55 G105 T129H54-C57 PolarHBondContact O-N 2.66Å; P55-C57 VanDerWaalsContact C-N 3.28Å; P55-C57 PolarHBondContact O-N 3.23Å; C57-G105 CarbonylContact O-C 3.54Å; C57-G105 WeakPolarHBondContact O-CA 3.38Å; C57-G105 PolarHBondContact O-N 2.93Å; C57-T129 WeakPolarHBondContact CA-OG1 3.26Å; C57-T129 HydrophobicContact CB-CG2 4.34Å
58L91.6Very high89.7Confident6 Ų637.3 Ų37.33%0.03121%0.211CC..EExtended strand (participates in β ladder)trans-110111.5173.1173.259.3000108.9L60 I107 P124 I128 T129L58-L60 HydrophobicContact CD1-CD2 4.43Å; L58-I107 HydrophobicContact CD1-CD1 3.7Å; L58-I107 HydrophobicContact CD1-CG1 4.49Å; L58-P124 HydrophobicContact CD2-CG 4.37Å; L58-I128 HydrophobicContact CD2-CG1 3.8Å; L58-I128 HydrophobicContact CG-CG1 4.26Å; L58-T129 PolarHBondContact N-OG1 3.49Å; L58-T129 WeakPolarHBondContact O-CB 3.24Å; L58-T129 PolarHBondContact O-N 3.37Å; L58-T129 PolarHBondContact O-OG1 3.35Å
59V93.8Very high89.6Confident0 Ų038 Ų380%021%0.214CC..EExtended strand (participates in β ladder)trans-125.8131.8178.9173.90000110.3H52 G105 V106 I107 G130 L132 F160H52-V59 HydrophobicContact CB-CB 4.36Å; H52-V59 HydrophobicContact CB-CG2 3.85Å; V59-G105 PolarHBondContact N-O 3.37Å; V59-G105 VanDerWaalsContact N-O 3.14Å; V59-V106 HydrophobicContact CB-CG1 4.37Å; V59-V106 HydrophobicContact CB-CG2 4.3Å; V59-V106 HydrophobicContact CG1-CG1 4.33Å; V59-V106 WeakPolarHBondContact O-CA 3.29Å; V59-I107 PolarHBondContact O-N 2.99Å; V59-G130 WeakPolarHBondContact CA-O 3.16Å; V59-L132 HydrophobicContact CG1-CD1 3.94Å; V59-L132 HydrophobicContact CG1-CG 3.78Å; V59-F160 HydrophobicContact CG2-CE1 4.5Å; V59-F160 HydrophobicContact CG2-CZ 4.06Å
60L94.1Very high89.4Confident0 Ų042.1 Ų42.10%023%0.233CC..EExtended strand (participates in β ladder)trans-99.8136177.7-55.2178.8000110.2L58 I107 L114 F118 I123 I128 G130 I131 L132L58-L60 HydrophobicContact CD1-CD2 4.43Å; L60-I107 HydrophobicContact CD2-CB 4.21Å; L60-L114 HydrophobicContact CD1-CD1 4.44Å; L60-L114 HydrophobicContact CD1-CD2 4.11Å; L60-L114 HydrophobicContact CD2-CD2 4.5Å; L60-F118 HydrophobicContact CD1-CE2 3.98Å; L60-F118 HydrophobicContact CD1-CZ 4.09Å; L60-I123 HydrophobicContact CD1-CD1 3.76Å; L60-I123 HydrophobicContact CD2-CD1 4.12Å; L60-I123 HydrophobicContact CG-CD1 4.48Å; L60-I128 HydrophobicContact CD1-CD1 4.22Å; L60-G130 PolarHBondContact N-O 3.21Å; L60-I131 HydrophobicContact CB-CG1 4.4Å; L60-I131 WeakPolarHBondContact O-CA 3.48Å; L60-L132 PolarHBondContact O-N 2.85Å
61V94.8Very high89.3Confident2 Ų236.1 Ų36.11%0.01221%0.211CC..EExtended strand (participates in β ladder)trans-108.2127.2172.2-168.70000109.7T64 V106 I107 F108 L132V61-T64 HydrophobicContact CG1-CG2 3.74Å; V61-V106 HydrophobicContact CG2-CG1 3.48Å; V61-V106 VanDerWaalsContact CG2-CG1 3.48Å; V61-I107 PolarHBondContact N-O 3.47Å; V61-F108 HydrophobicContact CB-CD1 3.67Å; V61-F108 HydrophobicContact CB-CE1 3.91Å; V61-F108 HydrophobicContact CG1-CD1 3.98Å; V61-F108 HydrophobicContact CG1-CE1 3.91Å; V61-F108 HydrophobicContact CG2-CD1 4.09Å; V61-F108 HydrophobicContact CG2-CE1 3.97Å; V61-L132 WeakPolarHBondContact CA-O 3.29Å; V61-L132 HydrophobicContact CG2-CB 4.36Å; V61-L132 HydrophobicContact CG2-CD1 4.44Å
62L92.3Very high89.3Confident0 Ų033 Ų330%019%0.194CC..EExtended strand (participates in β ladder)trans-108.7149.1-176.5-63.5179.5000112.6T64 L114 I131 L132 V133 Y134 I148 L149L62-T64 PolarHBondContact O-N 2.89Å; L62-L114 HydrophobicContact CD2-CD1 3.3Å; L62-I131 HydrophobicContact CD1-CG2 3.56Å; L62-I131 HydrophobicContact CG-CG2 3.88Å; L62-L132 PolarHBondContact N-O 3.36Å; L62-V133 HydrophobicContact CD1-CG2 4.38Å; L62-Y134 WeakPolarHBondContact O-CB 3.49Å; L62-Y134 PolarHBondContact O-N 3.27Å; L62-Y134 VanDerWaalsContact O-N 3.12Å; L62-I148 HydrophobicContact CD1-CG2 4.31Å; L62-I148 HydrophobicContact CD2-CD1 4.19Å; L62-L149 HydrophobicContact CD1-CD2 4.2Å
63N91.1Very high89.4Confident26 Ų2633.5 Ų33.514%0.13920%0.197CC..SBendtrans61.533.4169.5-174.934.5000115.3Y134 R135 R138N63-Y134 PolarHBondContact ND2-O 3.41Å; N63-R135 PolarHBondContact ND2-O 3.47Å; N63-R138 PolarHBondContact OD1-NH1 2.84Å
64T90.1Very high89.4Confident23 Ų2337.2 Ų37.214%0.14122%0.217CC..  trans-83170.516844.40000112.9V61 L62 E69 F108 Y134V61-T64 HydrophobicContact CG1-CG2 3.74Å; L62-T64 PolarHBondContact O-N 2.89Å; T64-E69 VanDerWaalsContact CB-OE1 3.29Å; T64-E69 WeakPolarHBondContact CB-OE1 3.48Å; T64-E69 PolarHBondContact OG1-OE1 3.4Å; T64-F108 HydrophobicContact CG2-CD1 4.09Å; T64-F108 HydrophobicContact CG2-CE1 4.11Å; T64-Y134 HydrophobicContact CG2-CD1 4.17Å
65Q89.3Confident89.4Confident82 Ų8232.6 Ų32.638%0.38320%0.195SC..  trans-116.2149.8168.2-62.6-177.2-93.700111.1A67 E68 E69 R135Q65-A67 VanDerWaalsContact C-N 3.27Å; Q65-A67 PolarHBondContact O-N 3.05Å; Q65-A67 VanDerWaalsContact O-N 3.14Å; Q65-E68 HydrophobicContact CB-CG 4.11Å; Q65-E68 WeakPolarHBondContact CB-OE2 3.32Å; Q65-E68 PolarHBondContact N-OE2 2.81Å; Q65-E68 WeakPolarHBondContact O-CA 3.5Å; Q65-E68 WeakPolarHBondContact O-CB 3.43Å; Q65-E68 PolarHBondContact O-N 3.28Å; Q65-E69 WeakPolarHBondContact O-CG 3.29Å; Q65-E69 PolarHBondContact O-N 2.63Å; Q65-R135 VanDerWaalsContact CD-NH1 3.32Å; Q65-R135 VanDerWaalsContact OE1-CZ 3.24Å
66P87.7Confident89.7Confident78 Ų7829 Ų2951%0.50617%0.172SC..Hα-helixtrans-58.4-33.4-173.721.4-34000114.8E69 E70P66-E69 PolarHBondContact O-N 2.74Å; P66-E70 WeakPolarHBondContact O-CB 3.35Å; P66-E70 WeakPolarHBondContact O-CG 3.39Å; P66-E70 PolarHBondContact O-N 3.04Å
67A86.9Confident89.9Confident22 Ų2230.9 Ų30.918%0.18216%0.162CC..Hα-helixtrans-71.6-27.8175.100000113.7Q65 Y71 D562Q65-A67 VanDerWaalsContact C-N 3.27Å; Q65-A67 PolarHBondContact O-N 3.05Å; Q65-A67 VanDerWaalsContact O-N 3.14Å; A67-Y71 WeakPolarHBondContact O-CB 3.37Å; A67-Y71 PolarHBondContact O-N 2.86Å; A67-D562 HydrophobicContact CB-CB 3.84Å
68E87.4Confident89.8Confident1 Ų132.5 Ų32.51%0.00517%0.168CC..Hα-helixtrans-73.7-44.2173.3-58.6178.2123.800109.7Q65 Y71 F72 Y134 R135 Y564Q65-E68 HydrophobicContact CB-CG 4.11Å; Q65-E68 WeakPolarHBondContact CB-OE2 3.32Å; Q65-E68 PolarHBondContact N-OE2 2.81Å; Q65-E68 WeakPolarHBondContact O-CA 3.5Å; Q65-E68 WeakPolarHBondContact O-CB 3.43Å; Q65-E68 PolarHBondContact O-N 3.28Å; E68-Y71 WeakPolarHBondContact O-CB 3.48Å; E68-Y71 PolarHBondContact O-N 2.92Å; E68-F72 HydrophobicContact CB-CE2 4.16Å; E68-F72 WeakPolarHBondContact O-CD2 3.45Å; E68-F72 WeakPolarHBondContact O-CG 3.26Å; E68-F72 PolarHBondContact O-N 3.12Å; E68-Y134 WeakPolarHBondContact OE1-CE1 3.22Å; E68-R135 VanDerWaalsContact CD-NH2 3.28Å; E68-R135 IonicContact OE1-CZ 3.17Å; E68-R135 VanDerWaalsContact OE1-CZ 3.3Å; E68-R135 IonicContact OE1-NE 3.29Å; E68-R135 IonicContact OE1-NH2 3.26Å; E68-R135 PolarHBondContact OE1-NH2 3.31Å; E68-R135 IonicContact OE2-CZ 2.7Å; E68-R135 IonicContact OE2-NE 2.74Å; E68-R135 IonicContact OE2-NH1 2.87Å; E68-R135 IonicContact OE2-NH2 2.89Å; E68-R135 PolarHBondContact OE2-NH2 3.21Å; E68-Y564 HydrophobicContact CB-CD2 4.48Å; E68-Y564 HydrophobicContact CB-CE2 3.9Å; E68-Y564 HydrophobicContact CG-CD2 4.37Å; E68-Y564 HydrophobicContact CG-CE2 3.8Å
69E89.6Confident89.4Confident14 Ų1434.9 Ų34.97%0.06518%0.179CC..Hα-helixtrans-58.8-47.8176.6-62.4161.9-167.600111.4T64 Q65 P66 Y71 F72 I73 R87 F108T64-E69 VanDerWaalsContact CB-OE1 3.29Å; T64-E69 WeakPolarHBondContact CB-OE1 3.48Å; T64-E69 PolarHBondContact OG1-OE1 3.4Å; Q65-E69 WeakPolarHBondContact O-CG 3.29Å; Q65-E69 PolarHBondContact O-N 2.63Å; P66-E69 PolarHBondContact O-N 2.74Å; E69-Y71 VanDerWaalsContact C-N 3.33Å; E69-Y71 PolarHBondContact O-N 2.71Å; E69-F72 PolarHBondContact O-N 3.36Å; E69-I73 WeakPolarHBondContact O-CB 3.44Å; E69-I73 WeakPolarHBondContact O-CD1 3.45Å; E69-I73 VanDerWaalsContact O-CG1 3.24Å; E69-I73 WeakPolarHBondContact O-CG1 3.15Å; E69-I73 PolarHBondContact O-N 3.38Å; E69-R87 WeakPolarHBondContact OE2-CD 3.42Å; E69-F108 HydrophobicContact CB-CD2 4.2Å; E69-F108 HydrophobicContact CB-CE2 4.37Å; E69-F108 HydrophobicContact CB-CG 4.27Å; E69-F108 HydrophobicContact CG-CB 4.05Å; E69-F108 HydrophobicContact CG-CD1 3.69Å; E69-F108 HydrophobicContact CG-CD2 4.15Å; E69-F108 HydrophobicContact CG-CE1 4.11Å; E69-F108 HydrophobicContact CG-CG 3.71Å
70E88.3Confident88.9Confident90 Ų9037.7 Ų37.742%0.42121%0.208SC..Hα-helixtrans-64.2-35176.6-75.4169.7-162.600112.5P66 N74 R87P66-E70 WeakPolarHBondContact O-CB 3.35Å; P66-E70 WeakPolarHBondContact O-CG 3.39Å; P66-E70 PolarHBondContact O-N 3.04Å; E70-N74 WeakPolarHBondContact O-CB 3.45Å; E70-N74 PolarHBondContact O-N 2.99Å; E70-N74 VanDerWaalsContact O-N 3.08Å; E70-N74 PolarHBondContact O-ND2 3Å; E70-R87 IonicContact OE1-CZ 3.9Å; E70-R87 VanDerWaalsContact OE1-CZ 3.26Å; E70-R87 IonicContact OE1-NH1 2.87Å; E70-R87 PolarHBondContact OE1-NH1 2.97Å; E70-R87 IonicContact OE1-NH2 3.22Å; E70-R87 PolarHBondContact OE1-NH2 2.69Å
71Y88.5Confident88.5Confident2 Ų239.7 Ų39.71%0.00822%0.22CC..Hα-helixtrans-65.1-49.4172.7178.2-102.9000111.8M12 A67 E68 E69 I73 N74 Q75 Y564 R568M12-Y71 HydrophobicContact CE-CE1 3.78Å; A67-Y71 WeakPolarHBondContact O-CB 3.37Å; A67-Y71 PolarHBondContact O-N 2.86Å; E68-Y71 WeakPolarHBondContact O-CB 3.48Å; E68-Y71 PolarHBondContact O-N 2.92Å; E69-Y71 VanDerWaalsContact C-N 3.33Å; E69-Y71 PolarHBondContact O-N 2.71Å; Y71-I73 PolarHBondContact O-N 2.83Å; Y71-N74 PolarHBondContact O-N 2.6Å; Y71-Q75 HydrophobicContact CE1-CG 4.16Å; Y71-Q75 HydrophobicContact CE2-CG 4.24Å; Y71-Q75 WeakPolarHBondContact O-CG 3.4Å; Y71-Q75 PolarHBondContact O-N 2.93Å; Y71-Y564 HydrophobicContact CD1-CD1 4.19Å; Y71-Y564 AromaticContact CD1-CD2 3.44Å; Y71-Y564 HydrophobicContact CD1-CD2 3.44Å; Y71-Y564 VanDerWaalsContact CD1-CD2 3.44Å; Y71-Y564 HydrophobicContact CD1-CE2 4.04Å; Y71-Y564 AromaticContact CD1-CG 3.54Å; Y71-Y564 HydrophobicContact CD1-CG 3.54Å; Y71-Y564 HydrophobicContact CD2-CG 4.34Å; Y71-Y564 HydrophobicContact CE1-CD1 4.01Å; Y71-Y564 HydrophobicContact CE1-CD2 4.11Å; Y71-Y564 AromaticContact CE1-CG 3.76Å; Y71-Y564 HydrophobicContact CE1-CG 3.76Å; Y71-Y564 AromaticContact CG-CD2 3.73Å; Y71-Y564 HydrophobicContact CG-CD2 3.73Å; Y71-Y564 AromaticContact CG-CG 3.85Å; Y71-Y564 HydrophobicContact CG-CG 3.85Å; Y71-R568 HydrophobicContact CE2-CB 4.39Å
72F89.1Confident87.8Confident1 Ų149 Ų490%0.00426%0.263CS..Hα-helixtrans-63.7-42.1179.4-65.2-53.3000112.8M12 D42 L45 Y46 L49 E68 E69 Q75 L76 F108 Y564M12-F72 HydrophobicContact CE-CE1 4.34Å; D42-F72 HydrophobicContact CB-CZ 4.39Å; L45-F72 HydrophobicContact CD2-CE2 4.05Å; L45-F72 HydrophobicContact CD2-CZ 4.13Å; Y46-F72 AromaticContact CD2-CD1 3.97Å; Y46-F72 HydrophobicContact CD2-CD1 3.97Å; L49-F72 HydrophobicContact CD2-CB 3.8Å; L49-F72 HydrophobicContact CD2-CG 4.3Å; E68-F72 HydrophobicContact CB-CE2 4.16Å; E68-F72 WeakPolarHBondContact O-CD2 3.45Å; E68-F72 WeakPolarHBondContact O-CG 3.26Å; E68-F72 PolarHBondContact O-N 3.12Å; E69-F72 PolarHBondContact O-N 3.36Å; F72-Q75 PolarHBondContact O-N 2.69Å; F72-L76 WeakPolarHBondContact O-CG 3.28Å; F72-L76 PolarHBondContact O-N 2.65Å; F72-F108 HydrophobicContact CB-CZ 4.49Å; F72-Y564 HydrophobicContact CE2-CE2 4.35Å; F72-Y564 HydrophobicContact CZ-CE2 4.04Å
73I90.3Very high87.6Confident30 Ų3050.5 Ų50.515%0.15427%0.27CS..Hα-helixtrans-62.3-43.5176.5-69.4165.2000110.7E69 Y71 Q75 L76 K77 P85 F108E69-I73 WeakPolarHBondContact O-CB 3.44Å; E69-I73 WeakPolarHBondContact O-CD1 3.45Å; E69-I73 VanDerWaalsContact O-CG1 3.24Å; E69-I73 WeakPolarHBondContact O-CG1 3.15Å; E69-I73 PolarHBondContact O-N 3.38Å; Y71-I73 PolarHBondContact O-N 2.83Å; I73-Q75 VanDerWaalsContact C-N 3.35Å; I73-Q75 PolarHBondContact O-N 3.31Å; I73-L76 PolarHBondContact O-N 3.48Å; I73-K77 VanDerWaalsContact O-CB 3.29Å; I73-K77 WeakPolarHBondContact O-CB 3.12Å; I73-K77 PolarHBondContact O-N 2.72Å; I73-P85 HydrophobicContact CG1-CB 4.24Å; I73-F108 HydrophobicContact CD1-CD2 4.26Å; I73-F108 HydrophobicContact CD1-CE2 4.16Å; I73-F108 HydrophobicContact CG1-CE2 4.07Å
74N88.4Confident87.5Confident82 Ų8252.9 Ų52.944%0.43928%0.282SS..Hα-helixtrans-64.9-37.2177-81.5-60.8000112.5E70 Y71 K77 I78E70-N74 WeakPolarHBondContact O-CB 3.45Å; E70-N74 PolarHBondContact O-N 2.99Å; E70-N74 VanDerWaalsContact O-N 3.08Å; E70-N74 PolarHBondContact O-ND2 3Å; Y71-N74 PolarHBondContact O-N 2.6Å; N74-K77 PolarHBondContact O-N 3.09Å; N74-I78 WeakPolarHBondContact O-CD1 3.37Å; N74-I78 VanDerWaalsContact O-CG1 3.31Å; N74-I78 WeakPolarHBondContact O-CG1 3.49Å; N74-I78 PolarHBondContact O-N 3.29Å
75Q86.3Confident87.6Confident18 Ų1851.9 Ų51.98%0.08428%0.276CS..Hα-helixtrans-65.9-44.7175.7-71.6-67.7-16.700112.2Y46 Y71 F72 I73 K77 I78 E79Y46-Q75 HydrophobicContact CD2-CB 4.49Å; Y46-Q75 HydrophobicContact CE2-CB 3.55Å; Y46-Q75 PolarHBondContact OH-O 3.17Å; Y71-Q75 HydrophobicContact CE1-CG 4.16Å; Y71-Q75 HydrophobicContact CE2-CG 4.24Å; Y71-Q75 WeakPolarHBondContact O-CG 3.4Å; Y71-Q75 PolarHBondContact O-N 2.93Å; F72-Q75 PolarHBondContact O-N 2.69Å; I73-Q75 VanDerWaalsContact C-N 3.35Å; I73-Q75 PolarHBondContact O-N 3.31Å; Q75-K77 VanDerWaalsContact C-N 3.31Å; Q75-K77 PolarHBondContact O-N 3.34Å; Q75-I78 WeakPolarHBondContact O-CB 3.22Å; Q75-I78 PolarHBondContact O-N 3.49Å; Q75-E79 PolarHBondContact O-N 3.18Å
76L89.2Confident87.6Confident1 Ų151.6 Ų51.61%0.00527%0.272CS..Hα-helixtrans-65.4-33.4174.9-67.6167.3000112.8Y46 L49 R50 F72 I73 I78 E79 G80 V81 P85Y46-L76 HydrophobicContact CE2-CD2 3.75Å; Y46-L76 HydrophobicContact CE2-CG 3.75Å; L49-L76 HydrophobicContact CD2-CD1 3.72Å; L49-L76 HydrophobicContact CG-CD1 3.83Å; R50-L76 HydrophobicContact CB-CD2 3.98Å; R50-L76 HydrophobicContact CG-CD2 4.34Å; F72-L76 WeakPolarHBondContact O-CG 3.28Å; F72-L76 PolarHBondContact O-N 2.65Å; I73-L76 PolarHBondContact O-N 3.48Å; L76-I78 VanDerWaalsContact C-N 3.3Å; L76-I78 PolarHBondContact O-N 3.48Å; L76-E79 PolarHBondContact O-N 3.28Å; L76-G80 PolarHBondContact O-N 3.08Å; L76-G80 VanDerWaalsContact O-N 3.16Å; L76-V81 HydrophobicContact CB-CG2 4.46Å; L76-V81 HydrophobicContact CD2-CG2 4.28Å; L76-V81 PolarHBondContact O-N 2.91Å; L76-P85 HydrophobicContact CD1-CG 3.57Å
77K90.1Very high87.7Confident137 Ų13752.3 Ų52.360%0.59626%0.264SS*.Hα-helixtrans-66.8-30.3173.9-172.1175.5-178.5177.70112.5I73 N74 Q75 G80I73-K77 VanDerWaalsContact O-CB 3.29Å; I73-K77 WeakPolarHBondContact O-CB 3.12Å; I73-K77 PolarHBondContact O-N 2.72Å; N74-K77 PolarHBondContact O-N 3.09Å; Q75-K77 VanDerWaalsContact C-N 3.31Å; Q75-K77 PolarHBondContact O-N 3.34Å; K77-G80 PolarHBondContact O-N 3.34Å
78I87.8Confident87.8Confident67 Ų6751.4 Ų51.434%0.34426%0.256SS..Hα-helixtrans-71.4-33.9171.5-70.3160.4000111.2R9 A11 N74 Q75 L76 G80R9-I78 HydrophobicContact CB-CD1 4.12Å; R9-I78 HydrophobicContact CB-CG1 4.41Å; R9-I78 HydrophobicContact CB-CG2 4.36Å; R9-I78 WeakPolarHBondContact O-CG2 3.39Å; A11-I78 HydrophobicContact CB-CG2 4.2Å; N74-I78 WeakPolarHBondContact O-CD1 3.37Å; N74-I78 VanDerWaalsContact O-CG1 3.31Å; N74-I78 WeakPolarHBondContact O-CG1 3.49Å; N74-I78 PolarHBondContact O-N 3.29Å; Q75-I78 WeakPolarHBondContact O-CB 3.22Å; Q75-I78 PolarHBondContact O-N 3.49Å; L76-I78 VanDerWaalsContact C-N 3.3Å; L76-I78 PolarHBondContact O-N 3.48Å; I78-G80 VanDerWaalsContact C-N 3.25Å; I78-G80 PolarHBondContact O-N 3.1Å
79E82.6Confident87.7Confident56 Ų5652.9 Ų52.926%0.26227%0.266SS..Hα-helixtrans-73.2-12.5172.8-66.4-166.1159.100114.1A11 Y46 R50 Q75 L76 V81A11-E79 HydrophobicContact CB-CG 3.43Å; A11-E79 VanDerWaalsContact CB-CG 3.43Å; Y46-E79 PolarHBondContact OH-OE1 3.49Å; R50-E79 VanDerWaalsContact CD-OE2 3.23Å; R50-E79 WeakPolarHBondContact CD-OE2 3.24Å; R50-E79 IonicContact CZ-OE1 3.42Å; R50-E79 IonicContact CZ-OE2 2.69Å; R50-E79 IonicContact NE-OE2 2.65Å; R50-E79 PolarHBondContact NE-OE2 3.31Å; R50-E79 IonicContact NH1-OE1 2.84Å; R50-E79 PolarHBondContact NH1-OE1 2.77Å; R50-E79 IonicContact NH1-OE2 2.73Å; R50-E79 PolarHBondContact NH1-OE2 3.19Å; Q75-E79 PolarHBondContact O-N 3.18Å; L76-E79 PolarHBondContact O-N 3.28Å; E79-V81 HydrophobicContact CB-CG2 4.37Å
80G83.7Confident87.3Confident59 Ų5958.5 Ų58.561%0.60830%0.296SS*.THydrogen-bonded Turntrans79.626177.500000115L76 K77 I78 E82L76-G80 PolarHBondContact O-N 3.08Å; L76-G80 VanDerWaalsContact O-N 3.16Å; K77-G80 PolarHBondContact O-N 3.34Å; I78-G80 VanDerWaalsContact C-N 3.25Å; I78-G80 PolarHBondContact O-N 3.1Å; G80-E82 PolarHBondContact O-N 2.81Å
81V84.5Confident86.8Confident42 Ų4262.1 Ų62.126%0.25531%0.313SS..  trans-66.4126.7176.7-177.30000110.6C53 L76 E79C53-V81 HydrophobicContact CB-CG1 4.05Å; L76-V81 HydrophobicContact CB-CG2 4.46Å; L76-V81 HydrophobicContact CD2-CG2 4.28Å; L76-V81 PolarHBondContact O-N 2.91Å; E79-V81 HydrophobicContact CB-CG2 4.37Å
82E80.6Confident86.5Confident198 Ų19864.5 Ų64.593%0.92533%0.326SS*.SBendtrans-63.2-50.8-173.7-61.2-179.4161.300113.4G80G80-E82 PolarHBondContact O-N 2.81Å
83H87.3Confident86.2Confident32 Ų3269.2 Ų69.215%0.14835%0.354CS..SBendtrans-99.690.3-180-172.459.8000110.2G104H83-G104 PolarHBondContact NE2-O 3.48Å
84L89.6Confident85.6Confident76 Ų7670.6 Ų70.640%0.39837%0.367SS..  trans-68.9148179.159.684.2000112.4
85P92Very high85.1Confident2 Ų272.6 Ų72.61%0.01338%0.378CS..  trans-60.2141.5176.9-24.234000112.5L49 I73 L76 V106 F108L49-P85 HydrophobicContact CD1-CB 4.34Å; L49-P85 HydrophobicContact CD1-CG 3.83Å; L49-P85 HydrophobicContact CG-CG 4.3Å; I73-P85 HydrophobicContact CG1-CB 4.24Å; L76-P85 HydrophobicContact CD1-CG 3.57Å; P85-V106 VanDerWaalsContact CA-O 3.26Å; P85-V106 WeakPolarHBondContact CA-O 3.46Å; P85-V106 HydrophobicContact CB-CB 4.47Å; P85-V106 WeakPolarHBondContact CB-O 3.44Å; P85-F108 HydrophobicContact CB-CD2 4.09Å; P85-F108 HydrophobicContact CB-CE2 3.66Å; P85-F108 HydrophobicContact CG-CE2 4.41Å
86R89.1Confident85.1Confident76 Ų7673.4 Ų73.429%0.28739%0.385SS..EExtended strand (participates in β ladder)trans-104141.8-179-64.8-176.6-178.6175.44.6111.5V100 V106 I107 F108R86-V100 HydrophobicContact CB-CG1 4.35Å; R86-V106 PolarHBondContact N-O 3.36Å; R86-V106 VanDerWaalsContact N-O 3.17Å; R86-I107 WeakPolarHBondContact O-CA 3.38Å; R86-F108 PolarHBondContact O-N 3.49Å
87R89.9Confident84.9Confident92 Ų9274.4 Ų74.435%0.34739%0.389SS..EExtended strand (participates in β ladder)trans-99124.9172.8178.5169.272.5-160.90.6109.8E69 E70 T89 F108E69-R87 WeakPolarHBondContact OE2-CD 3.42Å; E70-R87 IonicContact OE1-CZ 3.9Å; E70-R87 VanDerWaalsContact OE1-CZ 3.26Å; E70-R87 IonicContact OE1-NH1 2.87Å; E70-R87 PolarHBondContact OE1-NH1 2.97Å; E70-R87 IonicContact OE1-NH2 3.22Å; E70-R87 PolarHBondContact OE1-NH2 2.69Å; R87-T89 HydrophobicContact CG-CG2 4.11Å; R87-F108 WeakPolarHBondContact CA-O 3.23Å
88V89Confident84.6Confident3 Ų373.7 Ų73.72%0.01838%0.383CS..EExtended strand (participates in β ladder)trans-103.8116174.5-1720000109.7I92 R97 V100 I107 F108 A109 I113V88-I92 HydrophobicContact CG1-CD1 4.35Å; V88-R97 HydrophobicContact CG1-CG 3.79Å; V88-V100 HydrophobicContact CG2-CG1 4.08Å; V88-I107 HydrophobicContact CG2-CG2 3.64Å; V88-F108 PolarHBondContact N-O 2.95Å; V88-A109 HydrophobicContact CB-CB 4.37Å; V88-I113 HydrophobicContact CB-CD1 3.83Å; V88-I113 HydrophobicContact CG1-CD1 3.49Å; V88-I113 VanDerWaalsContact CG1-CD1 3.49Å; V88-I113 VanDerWaalsContact O-CD1 3.24Å; V88-I113 WeakPolarHBondContact O-CD1 3.41Å
89T85.6Confident84.7Confident33 Ų3376.5 Ų76.520%0.20240%0.395CS..  trans-104.1174.2175.771.30000110.8R87 E91 I92R87-T89 HydrophobicContact CG-CG2 4.11Å; T89-E91 WeakPolarHBondContact CB-OE2 3.44Å; T89-E91 PolarHBondContact O-N 3.07Å; T89-E91 PolarHBondContact OG1-N 2.84Å; T89-E91 PolarHBondContact OG1-OE2 3.45Å; T89-I92 PolarHBondContact O-N 2.73Å
90N81.4Confident85Confident131 Ų13174.9 Ų74.970%0.70139%0.389SS*.THydrogen-bonded Turntrans-71.5-8.9174.5-164.487.8000113.1
91E78.2Confident85.3Confident167 Ų16772.2 Ų72.278%0.7836%0.36SS*.THydrogen-bonded Turntrans-84.1-16178.6-59137.215800112T89T89-E91 WeakPolarHBondContact CB-OE2 3.44Å; T89-E91 PolarHBondContact O-N 3.07Å; T89-E91 PolarHBondContact OG1-N 2.84Å; T89-E91 PolarHBondContact OG1-OE2 3.45Å
92I82Confident85.6Confident52 Ų5274 Ų7427%0.26737%0.371SS..SBendtrans-81.3122.1-179.3-52.6-169.3000109.8V88 T89 S96 R97V88-I92 HydrophobicContact CG1-CD1 4.35Å; T89-I92 PolarHBondContact O-N 2.73Å; I92-S96 WeakPolarHBondContact CG2-OG 3.42Å; I92-R97 HydrophobicContact CB-CG 3.87Å; I92-R97 HydrophobicContact CG2-CG 3.57Å; I92-R97 VanDerWaalsContact O-CD 3.26Å; I92-R97 WeakPolarHBondContact O-CD 3.42Å; I92-R97 WeakPolarHBondContact O-CG 3.41Å; I92-R97 PolarHBondContact O-NE 3.3Å
93T82.9Confident86Confident99 Ų9969.2 Ų69.261%0.60735%0.349SS*.  trans-62.1142.7-176.765.30000111.9N95 S96 R97T93-N95 PolarHBondContact O-N 2.7Å; T93-S96 PolarHBondContact O-N 3.29Å; T93-S96 PolarHBondContact O-OG 2.61Å; T93-S96 PolarHBondContact OG1-OG 3.24Å; T93-R97 PolarHBondContact O-N 2.88Å
94S76.6Confident86Confident59 Ų5968 Ų6841%0.41335%0.346SS..Hα-helixtrans-54.3-29.3-173.2-61.80000115.3R97 Y98S94-R97 PolarHBondContact OG-NH2 2.91Å; S94-Y98 PolarHBondContact O-N 2.81Å
95N79.8Confident86.1Confident125 Ų12564.4 Ų64.467%0.66833%0.327SS*.Hα-helixtrans-73.3-40.9176.6-65.8-3.9000112.1T93 R97 Y98 E99T93-N95 PolarHBondContact O-N 2.7Å; N95-R97 VanDerWaalsContact C-N 3.34Å; N95-Y98 WeakPolarHBondContact O-CB 3.13Å; N95-Y98 PolarHBondContact O-N 2.76Å; N95-E99 PolarHBondContact O-N 3.17Å
96S84.9Confident86.2Confident35 Ų3564.4 Ų64.425%0.24533%0.327CS..Hα-helixtrans-73.4-26.317655.90000112.3I92 T93 E99 V100I92-S96 WeakPolarHBondContact CG2-OG 3.42Å; T93-S96 PolarHBondContact O-N 3.29Å; T93-S96 PolarHBondContact O-OG 2.61Å; T93-S96 PolarHBondContact OG1-OG 3.24Å; S96-E99 PolarHBondContact O-N 3.17Å; S96-V100 VanDerWaalsContact O-CG2 3.31Å; S96-V100 WeakPolarHBondContact O-CG2 3.27Å; S96-V100 PolarHBondContact O-N 3.28Å
97R84.9Confident86.4Confident21 Ų2160.9 Ų60.98%0.07931%0.313CS..Hα-helixtrans-62.1-42.9168.5-62.3-168.8-65124.212.5111.9V88 I92 T93 S94 N95 E99 V100 Y101 D117V88-R97 HydrophobicContact CG1-CG 3.79Å; I92-R97 HydrophobicContact CB-CG 3.87Å; I92-R97 HydrophobicContact CG2-CG 3.57Å; I92-R97 VanDerWaalsContact O-CD 3.26Å; I92-R97 WeakPolarHBondContact O-CD 3.42Å; I92-R97 WeakPolarHBondContact O-CG 3.41Å; I92-R97 PolarHBondContact O-NE 3.3Å; T93-R97 PolarHBondContact O-N 2.88Å; S94-R97 PolarHBondContact OG-NH2 2.91Å; N95-R97 VanDerWaalsContact C-N 3.34Å; R97-E99 PolarHBondContact O-N 3.3Å; R97-V100 PolarHBondContact O-N 2.91Å; R97-Y101 HydrophobicContact CB-CE2 4.25Å; R97-Y101 WeakPolarHBondContact O-CD2 3.49Å; R97-Y101 PolarHBondContact O-N 3.29Å; R97-D117 IonicContact CZ-OD1 3.47Å; R97-D117 VanDerWaalsContact CZ-OD1 3.25Å; R97-D117 IonicContact CZ-OD2 3.3Å; R97-D117 IonicContact NH1-OD1 2.68Å; R97-D117 PolarHBondContact NH1-OD1 3.13Å; R97-D117 IonicContact NH1-OD2 3.39Å; R97-D117 PolarHBondContact NH1-OD2 3.27Å; R97-D117 IonicContact NH2-OD1 3.65Å; R97-D117 PolarHBondContact NH2-OD1 3.16Å
98Y85.3Confident86.6Confident122 Ų12256.6 Ų56.648%0.47830%0.297SS..Hα-helixtrans-58.9-46.6174.4-174.9-90.2000112.5S94 N95 V100 Y101 T102 R122S94-Y98 PolarHBondContact O-N 2.81Å; N95-Y98 WeakPolarHBondContact O-CB 3.13Å; N95-Y98 PolarHBondContact O-N 2.76Å; Y98-V100 PolarHBondContact O-N 3.2Å; Y98-Y101 PolarHBondContact O-N 3.31Å; Y98-T102 WeakPolarHBondContact CE1-OG1 3.49Å; Y98-T102 WeakPolarHBondContact O-CB 3.25Å; Y98-T102 PolarHBondContact O-N 3.37Å; Y98-T102 PolarHBondContact O-OG1 3.45Å; Y98-R122 WeakPolarHBondContact CD2-O 3.49Å; Y98-R122 WeakPolarHBondContact CE2-O 3.49Å
99E88.8Confident86.6Confident127 Ų12756.7 Ų56.759%0.59330%0.298SS*.Hα-helixtrans-60.4-43177.1-175.3177.5-167.400112N95 S96 R97 T102 Q103N95-E99 PolarHBondContact O-N 3.17Å; S96-E99 PolarHBondContact O-N 3.17Å; R97-E99 PolarHBondContact O-N 3.3Å; E99-T102 PolarHBondContact O-N 3.12Å; E99-Q103 WeakPolarHBondContact O-CB 3.49Å; E99-Q103 PolarHBondContact O-N 3.28Å
100V89.1Confident86.7Confident21 Ų2158.8 Ų58.813%0.12731%0.311CS..Hα-helixtrans-62.6-42.1175.91690000112.2R86 V88 S96 R97 Y98 I107R86-V100 HydrophobicContact CB-CG1 4.35Å; V88-V100 HydrophobicContact CG2-CG1 4.08Å; S96-V100 VanDerWaalsContact O-CG2 3.31Å; S96-V100 WeakPolarHBondContact O-CG2 3.27Å; S96-V100 PolarHBondContact O-N 3.28Å; R97-V100 PolarHBondContact O-N 2.91Å; Y98-V100 PolarHBondContact O-N 3.2Å; V100-I107 HydrophobicContact CG1-CD1 3.93Å; V100-I107 HydrophobicContact CG1-CG1 4.47Å
101Y90Very high87.1Confident3 Ų353.7 Ų53.71%0.01229%0.286CS..Hα-helixtrans-66.8-37.2174.3-60.9-50.9000112.4R97 Y98 G104 I107 D117 I123R97-Y101 HydrophobicContact CB-CE2 4.25Å; R97-Y101 WeakPolarHBondContact O-CD2 3.49Å; R97-Y101 PolarHBondContact O-N 3.29Å; Y98-Y101 PolarHBondContact O-N 3.31Å; Y101-G104 PolarHBondContact O-N 2.9Å; Y101-I107 HydrophobicContact CD1-CD1 3.66Å; Y101-I107 HydrophobicContact CE1-CD1 4.24Å; Y101-I107 HydrophobicContact CE1-CG2 4.37Å; Y101-D117 HydrophobicContact CE2-CB 4.33Å; Y101-D117 VanDerWaalsContact CE2-OD2 3.27Å; Y101-D117 WeakPolarHBondContact CE2-OD2 3.4Å; Y101-D117 PolarHBondContact OH-OD2 3.45Å; Y101-I123 HydrophobicContact CD1-CD1 3.95Å; Y101-I123 HydrophobicContact CD1-CG1 4.1Å; Y101-I123 HydrophobicContact CD2-CB 4.22Å; Y101-I123 HydrophobicContact CD2-CG1 4.04Å; Y101-I123 HydrophobicContact CE1-CD1 3.92Å; Y101-I123 HydrophobicContact CE1-CG1 4.42Å; Y101-I123 HydrophobicContact CE2-CB 4.32Å; Y101-I123 HydrophobicContact CE2-CG1 4.34Å; Y101-I123 HydrophobicContact CG-CD1 4.29Å; Y101-I123 HydrophobicContact CG-CG1 3.93Å
102T89.8Confident87.4Confident79 Ų7950.9 Ų50.949%0.48527%0.268SS..Hα-helixtrans-69.9-31.8179.5-540000112.3Y98 E99 G104Y98-T102 WeakPolarHBondContact CE1-OG1 3.49Å; Y98-T102 WeakPolarHBondContact O-CB 3.25Å; Y98-T102 PolarHBondContact O-N 3.37Å; Y98-T102 PolarHBondContact O-OG1 3.45Å; E99-T102 PolarHBondContact O-N 3.12Å; T102-G104 VanDerWaalsContact C-N 3.27Å; T102-G104 PolarHBondContact O-N 3Å
103Q89.2Confident87.6Confident99 Ų9948.6 Ų48.646%0.46326%0.256SS..THydrogen-bonded Turntrans-76.8-10.8176.7-166.2164.135.900113.8E99E99-Q103 WeakPolarHBondContact O-CB 3.49Å; E99-Q103 PolarHBondContact O-N 3.28Å
104G88.8Confident87.9Confident7 Ų743.9 Ų43.97%0.07223%0.227CC..  trans67.8-160.2172.500000115.2H83 Y101 T102H83-G104 PolarHBondContact NE2-O 3.48Å; Y101-G104 PolarHBondContact O-N 2.9Å; T102-G104 VanDerWaalsContact C-N 3.27Å; T102-G104 PolarHBondContact O-N 3Å
105G90.9Very high88.5Confident0 Ų041.2 Ų41.20%021%0.208CC..EExtended strand (participates in β ladder)trans83.3-165.3-165.700000113.2C57 V59C57-G105 CarbonylContact O-C 3.54Å; C57-G105 WeakPolarHBondContact O-CA 3.38Å; C57-G105 PolarHBondContact O-N 2.93Å; V59-G105 PolarHBondContact N-O 3.37Å; V59-G105 VanDerWaalsContact N-O 3.14Å
106V94Very high88.9Confident2 Ų236.3 Ų36.31%0.01218%0.183CC..EExtended strand (participates in β ladder)trans-92.9133.1176.8-167.20000110.8L49 H52 V59 V61 P85 R86L49-V106 HydrophobicContact CD1-CB 3.7Å; L49-V106 HydrophobicContact CD1-CG1 3.41Å; L49-V106 VanDerWaalsContact CD1-CG1 3.41Å; L49-V106 HydrophobicContact CD1-CG2 4.02Å; H52-V106 HydrophobicContact CB-CG2 4.02Å; H52-V106 VanDerWaalsContact O-CG2 3.24Å; H52-V106 WeakPolarHBondContact O-CG2 3.18Å; V59-V106 HydrophobicContact CB-CG1 4.37Å; V59-V106 HydrophobicContact CB-CG2 4.3Å; V59-V106 HydrophobicContact CG1-CG1 4.33Å; V59-V106 WeakPolarHBondContact O-CA 3.29Å; V61-V106 HydrophobicContact CG2-CG1 3.48Å; V61-V106 VanDerWaalsContact CG2-CG1 3.48Å; P85-V106 VanDerWaalsContact CA-O 3.26Å; P85-V106 WeakPolarHBondContact CA-O 3.46Å; P85-V106 HydrophobicContact CB-CB 4.47Å; P85-V106 WeakPolarHBondContact CB-O 3.44Å; R86-V106 PolarHBondContact N-O 3.36Å; R86-V106 VanDerWaalsContact N-O 3.17Å
107I93.6Very high89.1Confident1 Ų134.7 Ų34.71%0.00517%0.172CC..EExtended strand (participates in β ladder)trans-123.9125.2-175-63.6172.2000110.2L58 V59 L60 V61 R86 V88 V100 Y101 A109L58-I107 HydrophobicContact CD1-CD1 3.7Å; L58-I107 HydrophobicContact CD1-CG1 4.49Å; V59-I107 PolarHBondContact O-N 2.99Å; L60-I107 HydrophobicContact CD2-CB 4.21Å; V61-I107 PolarHBondContact N-O 3.47Å; R86-I107 WeakPolarHBondContact O-CA 3.38Å; V88-I107 HydrophobicContact CG2-CG2 3.64Å; V100-I107 HydrophobicContact CG1-CD1 3.93Å; V100-I107 HydrophobicContact CG1-CG1 4.47Å; Y101-I107 HydrophobicContact CD1-CD1 3.66Å; Y101-I107 HydrophobicContact CE1-CD1 4.24Å; Y101-I107 HydrophobicContact CE1-CG2 4.37Å; I107-A109 HydrophobicContact CG2-CB 4.26Å
108F93.5Very high89.3Confident2 Ų233.8 Ų33.81%0.00917%0.168CC..EExtended strand (participates in β ladder)trans-86.7124.2165.5-61.2-74.6000108.7L49 V61 T64 E69 F72 I73 P85 R86 R87 V88L49-F108 HydrophobicContact CD1-CZ 4.1Å; L49-F108 HydrophobicContact CD2-CZ 3.97Å; V61-F108 HydrophobicContact CB-CD1 3.67Å; V61-F108 HydrophobicContact CB-CE1 3.91Å; V61-F108 HydrophobicContact CG1-CD1 3.98Å; V61-F108 HydrophobicContact CG1-CE1 3.91Å; V61-F108 HydrophobicContact CG2-CD1 4.09Å; V61-F108 HydrophobicContact CG2-CE1 3.97Å; T64-F108 HydrophobicContact CG2-CD1 4.09Å; T64-F108 HydrophobicContact CG2-CE1 4.11Å; E69-F108 HydrophobicContact CB-CD2 4.2Å; E69-F108 HydrophobicContact CB-CE2 4.37Å; E69-F108 HydrophobicContact CB-CG 4.27Å; E69-F108 HydrophobicContact CG-CB 4.05Å; E69-F108 HydrophobicContact CG-CD1 3.69Å; E69-F108 HydrophobicContact CG-CD2 4.15Å; E69-F108 HydrophobicContact CG-CE1 4.11Å; E69-F108 HydrophobicContact CG-CG 3.71Å; F72-F108 HydrophobicContact CB-CZ 4.49Å; I73-F108 HydrophobicContact CD1-CD2 4.26Å; I73-F108 HydrophobicContact CD1-CE2 4.16Å; I73-F108 HydrophobicContact CG1-CE2 4.07Å; P85-F108 HydrophobicContact CB-CD2 4.09Å; P85-F108 HydrophobicContact CB-CE2 3.66Å; P85-F108 HydrophobicContact CG-CE2 4.41Å; R86-F108 PolarHBondContact O-N 3.49Å; R87-F108 WeakPolarHBondContact CA-O 3.23Å; V88-F108 PolarHBondContact N-O 2.95Å
109A89.4Confident89.4Confident5 Ų528.8 Ų28.84%0.04115%0.15CC..EExtended strand (participates in β ladder)trans-145.8143.6-17800000111.2V88 I107 I113 L114V88-A109 HydrophobicContact CB-CB 4.37Å; I107-A109 HydrophobicContact CG2-CB 4.26Å; A109-I113 HydrophobicContact CB-CD1 4.03Å; A109-I113 HydrophobicContact CB-CG1 4.37Å; A109-L114 HydrophobicContact CB-CD1 3.9Å; A109-L114 HydrophobicContact CB-CD2 3.82Å; A109-L114 HydrophobicContact CB-CG 3.77Å
110T88.3Confident89.2Confident77 Ų7725.5 Ų25.547%0.47214%0.138SC..  trans-75.9148.3179.5740000111.5R112 I113 L114T110-R112 PolarHBondContact O-N 2.8Å; T110-R112 VanDerWaalsContact O-N 3.12Å; T110-I113 WeakPolarHBondContact O-CG1 3.29Å; T110-I113 PolarHBondContact O-N 3.48Å; T110-L114 PolarHBondContact O-N 2.9Å
111S88.3Confident89.1Confident24 Ų2429.3 Ų29.317%0.16816%0.158CC..Hα-helixtrans-55-37.3-174.5-13.70000112.9V115 E145 I148S111-V115 WeakPolarHBondContact O-CG2 3.26Å; S111-V115 PolarHBondContact O-N 3.37Å; S111-E145 WeakPolarHBondContact CB-OE1 3.46Å; S111-E145 PolarHBondContact OG-OE1 3.47Å; S111-I148 WeakPolarHBondContact O-CD1 3.29Å
112R85.1Confident88.8Confident108 Ų10834.9 Ų34.941%0.40818%0.179SC..Hα-helixtrans-66.3-45.4-179-65-172.6-165.1148.111.8113.4T110 L114 V115 V116 Q144T110-R112 PolarHBondContact O-N 2.8Å; T110-R112 VanDerWaalsContact O-N 3.12Å; R112-L114 VanDerWaalsContact C-N 3.3Å; R112-L114 PolarHBondContact O-N 3.24Å; R112-V115 PolarHBondContact O-N 2.83Å; R112-V116 WeakPolarHBondContact O-CG2 3.37Å; R112-V116 PolarHBondContact O-N 3.25Å; R112-Q144 VanDerWaalsContact CG-OE1 3.23Å
113I87.2Confident88.7Confident5 Ų531.3 Ų31.33%0.02616%0.157CC..Hα-helixtrans-68.5-34.6-178.561.8167.5000110.9V88 A109 T110 V116 D117V88-I113 HydrophobicContact CB-CD1 3.83Å; V88-I113 HydrophobicContact CG1-CD1 3.49Å; V88-I113 VanDerWaalsContact CG1-CD1 3.49Å; V88-I113 VanDerWaalsContact O-CD1 3.24Å; V88-I113 WeakPolarHBondContact O-CD1 3.41Å; A109-I113 HydrophobicContact CB-CD1 4.03Å; A109-I113 HydrophobicContact CB-CG1 4.37Å; T110-I113 WeakPolarHBondContact O-CG1 3.29Å; T110-I113 PolarHBondContact O-N 3.48Å; I113-V116 PolarHBondContact O-N 2.91Å; I113-D117 PolarHBondContact O-N 3.37Å
114L89Confident88.6Confident0 Ų027.9 Ų27.90%014%0.143CC..Hα-helixtrans-67.2-43.1175.7-69.6178.4000112.2L60 L62 A109 T110 R112 V116 D117 F118 I123 I148L60-L114 HydrophobicContact CD1-CD1 4.44Å; L60-L114 HydrophobicContact CD1-CD2 4.11Å; L60-L114 HydrophobicContact CD2-CD2 4.5Å; L62-L114 HydrophobicContact CD2-CD1 3.3Å; A109-L114 HydrophobicContact CB-CD1 3.9Å; A109-L114 HydrophobicContact CB-CD2 3.82Å; A109-L114 HydrophobicContact CB-CG 3.77Å; T110-L114 PolarHBondContact O-N 2.9Å; R112-L114 VanDerWaalsContact C-N 3.3Å; R112-L114 PolarHBondContact O-N 3.24Å; L114-V116 VanDerWaalsContact C-N 3.26Å; L114-V116 PolarHBondContact O-N 2.94Å; L114-D117 PolarHBondContact O-N 2.91Å; L114-F118 HydrophobicContact CB-CD2 4.37Å; L114-F118 WeakPolarHBondContact O-CB 3.29Å; L114-F118 VanDerWaalsContact O-CD2 3.29Å; L114-F118 WeakPolarHBondContact O-CD2 3.4Å; L114-F118 PolarHBondContact O-N 3.43Å; L114-I123 HydrophobicContact CD2-CD1 4.38Å; L114-I148 HydrophobicContact CB-CD1 4Å; L114-I148 HydrophobicContact CB-CG1 4.38Å; L114-I148 HydrophobicContact CD1-CD1 4.44Å
115V89.7Confident88.4Confident2 Ų228.2 Ų28.21%0.01214%0.144CC..Hα-helixtrans-55.9-43174.5169.60000111.1S111 R112 L119 F147 I148 F691S111-V115 WeakPolarHBondContact O-CG2 3.26Å; S111-V115 PolarHBondContact O-N 3.37Å; R112-V115 PolarHBondContact O-N 2.83Å; V115-L119 HydrophobicContact CG1-CD1 3.92Å; V115-L119 HydrophobicContact CG1-CG 4.49Å; V115-L119 WeakPolarHBondContact O-CB 3.29Å; V115-L119 VanDerWaalsContact O-CG 3.29Å; V115-L119 WeakPolarHBondContact O-CG 3.35Å; V115-L119 PolarHBondContact O-N 3.16Å; V115-F147 HydrophobicContact CG1-CD1 3.88Å; V115-F147 HydrophobicContact CG1-CE1 3.85Å; V115-F147 HydrophobicContact CG2-CD1 4.12Å; V115-I148 HydrophobicContact CG2-CD1 4.12Å; V115-I148 HydrophobicContact CG2-CG1 3.55Å; V115-F691 HydrophobicContact CG1-CD1 3.72Å; V115-F691 HydrophobicContact CG1-CE1 3.9Å; V115-F691 HydrophobicContact CG1-CG 4.49Å
116V87.3Confident88.2Confident23 Ų2334.3 Ų34.314%0.13918%0.177CC..Hα-helixtrans-63.3-49.1175.6176.90000111.6R112 I113 L114 F118 L119 T120 M688 P708R112-V116 WeakPolarHBondContact O-CG2 3.37Å; R112-V116 PolarHBondContact O-N 3.25Å; I113-V116 PolarHBondContact O-N 2.91Å; L114-V116 VanDerWaalsContact C-N 3.26Å; L114-V116 PolarHBondContact O-N 2.94Å; V116-F118 VanDerWaalsContact C-N 3.31Å; V116-F118 PolarHBondContact O-N 3.4Å; V116-L119 PolarHBondContact O-N 3.18Å; V116-T120 HydrophobicContact CG1-CG2 4.33Å; V116-T120 WeakPolarHBondContact O-CB 3.42Å; V116-T120 PolarHBondContact O-N 3.2Å; V116-T120 PolarHBondContact O-OG1 3.19Å; V116-M688 HydrophobicContact CG2-CE 3.56Å; V116-M688 HydrophobicContact CG2-SD 3.29Å; V116-M688 WeakPolarHBondContact CG2-SD 3.49Å; V116-P708 HydrophobicContact CB-CG 4.39Å; V116-P708 HydrophobicContact CG1-CG 4.09Å; V116-P708 HydrophobicContact CG2-CB 4.12Å; V116-P708 HydrophobicContact CG2-CG 4.2Å
117D89.4Confident87.9Confident1 Ų139.6 Ų39.61%0.00521%0.205CC..Hα-helixtrans-69.6-28.8-174.6-64.1-17.6000112.7R97 Y101 I113 L114 D121 R122 I123R97-D117 IonicContact CZ-OD1 3.47Å; R97-D117 VanDerWaalsContact CZ-OD1 3.25Å; R97-D117 IonicContact CZ-OD2 3.3Å; R97-D117 IonicContact NH1-OD1 2.68Å; R97-D117 PolarHBondContact NH1-OD1 3.13Å; R97-D117 IonicContact NH1-OD2 3.39Å; R97-D117 PolarHBondContact NH1-OD2 3.27Å; R97-D117 IonicContact NH2-OD1 3.65Å; R97-D117 PolarHBondContact NH2-OD1 3.16Å; Y101-D117 HydrophobicContact CE2-CB 4.33Å; Y101-D117 VanDerWaalsContact CE2-OD2 3.27Å; Y101-D117 WeakPolarHBondContact CE2-OD2 3.4Å; Y101-D117 PolarHBondContact OH-OD2 3.45Å; I113-D117 PolarHBondContact O-N 3.37Å; L114-D117 PolarHBondContact O-N 2.91Å; D117-D121 PolarHBondContact O-N 3.06Å; D117-R122 HydrophobicContact CB-CB 4.29Å; D117-R122 PolarHBondContact O-N 2.96Å; D117-I123 HydrophobicContact CB-CB 4.24Å; D117-I123 HydrophobicContact CB-CG2 4.44Å; D117-I123 PolarHBondContact O-N 3.41Å
118F89Confident87.8Confident1 Ų139.7 Ų39.70%0.00421%0.205CC..Hα-helixtrans-77.5-33.8172.5-87.2-71.7000113.5L60 L114 V116 I123 I128 I148 L151 F152 K155L60-F118 HydrophobicContact CD1-CE2 3.98Å; L60-F118 HydrophobicContact CD1-CZ 4.09Å; L114-F118 HydrophobicContact CB-CD2 4.37Å; L114-F118 WeakPolarHBondContact O-CB 3.29Å; L114-F118 VanDerWaalsContact O-CD2 3.29Å; L114-F118 WeakPolarHBondContact O-CD2 3.4Å; L114-F118 PolarHBondContact O-N 3.43Å; V116-F118 VanDerWaalsContact C-N 3.31Å; V116-F118 PolarHBondContact O-N 3.4Å; F118-I123 HydrophobicContact CB-CG2 4.49Å; F118-I123 HydrophobicContact CD1-CG2 3.62Å; F118-I123 HydrophobicContact CD2-CG2 4.13Å; F118-I123 HydrophobicContact CE1-CG2 3.8Å; F118-I123 HydrophobicContact CE2-CD1 4.42Å; F118-I123 HydrophobicContact CE2-CG2 4.27Å; F118-I123 HydrophobicContact CG-CG2 3.8Å; F118-I123 HydrophobicContact CZ-CD1 4.41Å; F118-I123 HydrophobicContact CZ-CG2 4.13Å; F118-I128 HydrophobicContact CE1-CD1 3.73Å; F118-I128 HydrophobicContact CZ-CD1 3.49Å; F118-I128 VanDerWaalsContact CZ-CD1 3.49Å; F118-I148 HydrophobicContact CD2-CG2 4.15Å; F118-I148 HydrophobicContact CE2-CG2 3.85Å; F118-L151 HydrophobicContact CB-CB 4.28Å; F118-L151 HydrophobicContact CB-CD1 4Å; F118-F152 HydrophobicContact CE1-CB 4.21Å; F118-F152 HydrophobicContact CE1-CD2 4.48Å; F118-F152 HydrophobicContact CZ-CB 4.15Å; F118-F152 HydrophobicContact CZ-CD2 4.38Å; F118-K155 PolarHBondContact O-NZ 3.29Å
119L87.4Confident87.8Confident18 Ų1841.8 Ų41.89%0.09422%0.218CC..Hα-helixtrans-74.9-41.1174.8-75.5175.1000112V115 V116 D121 F147 L151 F691 I706 P708V115-L119 HydrophobicContact CG1-CD1 3.92Å; V115-L119 HydrophobicContact CG1-CG 4.49Å; V115-L119 WeakPolarHBondContact O-CB 3.29Å; V115-L119 VanDerWaalsContact O-CG 3.29Å; V115-L119 WeakPolarHBondContact O-CG 3.35Å; V115-L119 PolarHBondContact O-N 3.16Å; V116-L119 PolarHBondContact O-N 3.18Å; L119-D121 VanDerWaalsContact C-N 3.28Å; L119-D121 PolarHBondContact O-N 3.49Å; L119-F147 HydrophobicContact CD1-CE1 4.27Å; L119-F147 HydrophobicContact CD2-CE1 4.46Å; L119-F147 HydrophobicContact CD2-CZ 4.24Å; L119-L151 HydrophobicContact CD2-CD1 4.18Å; L119-L151 HydrophobicContact CD2-CD2 4.11Å; L119-L151 HydrophobicContact CG-CD1 4.21Å; L119-F691 HydrophobicContact CD1-CE1 3.77Å; L119-F691 HydrophobicContact CD1-CZ 4.02Å; L119-I706 HydrophobicContact CD1-CB 4.32Å; L119-I706 HydrophobicContact CD1-CG2 4.05Å; L119-P708 HydrophobicContact CB-CG 4.4Å; L119-P708 HydrophobicContact CD1-CG 4.29Å
120T85.1Confident87.9Confident57 Ų5741.6 Ų41.635%0.3522%0.216SC..THydrogen-bonded Turntrans-90.115.2-176.260.30000114.1V116 R122 P708V116-T120 HydrophobicContact CG1-CG2 4.33Å; V116-T120 WeakPolarHBondContact O-CB 3.42Å; V116-T120 PolarHBondContact O-N 3.2Å; V116-T120 PolarHBondContact O-OG1 3.19Å; T120-R122 PolarHBondContact O-N 3.44Å; T120-R122 VanDerWaalsContact O-N 3.15Å; T120-R122 WeakPolarHBondContact OG1-CG 3.24Å; T120-P708 HydrophobicContact CG2-CG 3.85Å
121D85.3Confident88.2Confident101 Ų10137.9 Ų37.954%0.5419%0.194SC..THydrogen-bonded Turntrans45.841.5-179.3-85.5-68000114.6D117 L119 K155D117-D121 PolarHBondContact O-N 3.06Å; L119-D121 VanDerWaalsContact C-N 3.28Å; L119-D121 PolarHBondContact O-N 3.49Å; D121-K155 IonicContact OD1-NZ 2.68Å; D121-K155 PolarHBondContact OD1-NZ 2.75Å; D121-K155 IonicContact OD2-NZ 2.61Å; D121-K155 PolarHBondContact OD2-NZ 2.77Å
122R83.8Confident88.6Confident121 Ų12136.8 Ų36.846%0.45719%0.186SC..  trans-91.4-32.4176.7-60.8-57.6-178.5136.50.4112.8Y98 D117 T120Y98-R122 WeakPolarHBondContact CD2-O 3.49Å; Y98-R122 WeakPolarHBondContact CE2-O 3.49Å; D117-R122 HydrophobicContact CB-CB 4.29Å; D117-R122 PolarHBondContact O-N 2.96Å; T120-R122 PolarHBondContact O-N 3.44Å; T120-R122 VanDerWaalsContact O-N 3.15Å; T120-R122 WeakPolarHBondContact OG1-CG 3.24Å
123I88Confident89Confident3 Ų331.6 Ų31.62%0.01517%0.166CC..SBendtrans-84129.6174.3-165.5169.9000109.6L60 Y101 L114 D117 F118 S125 I128L60-I123 HydrophobicContact CD1-CD1 3.76Å; L60-I123 HydrophobicContact CD2-CD1 4.12Å; L60-I123 HydrophobicContact CG-CD1 4.48Å; Y101-I123 HydrophobicContact CD1-CD1 3.95Å; Y101-I123 HydrophobicContact CD1-CG1 4.1Å; Y101-I123 HydrophobicContact CD2-CB 4.22Å; Y101-I123 HydrophobicContact CD2-CG1 4.04Å; Y101-I123 HydrophobicContact CE1-CD1 3.92Å; Y101-I123 HydrophobicContact CE1-CG1 4.42Å; Y101-I123 HydrophobicContact CE2-CB 4.32Å; Y101-I123 HydrophobicContact CE2-CG1 4.34Å; Y101-I123 HydrophobicContact CG-CD1 4.29Å; Y101-I123 HydrophobicContact CG-CG1 3.93Å; L114-I123 HydrophobicContact CD2-CD1 4.38Å; D117-I123 HydrophobicContact CB-CB 4.24Å; D117-I123 HydrophobicContact CB-CG2 4.44Å; D117-I123 PolarHBondContact O-N 3.41Å; F118-I123 HydrophobicContact CB-CG2 4.49Å; F118-I123 HydrophobicContact CD1-CG2 3.62Å; F118-I123 HydrophobicContact CD2-CG2 4.13Å; F118-I123 HydrophobicContact CE1-CG2 3.8Å; F118-I123 HydrophobicContact CE2-CD1 4.42Å; F118-I123 HydrophobicContact CE2-CG2 4.27Å; F118-I123 HydrophobicContact CG-CG2 3.8Å; F118-I123 HydrophobicContact CZ-CD1 4.41Å; F118-I123 HydrophobicContact CZ-CG2 4.13Å; I123-S125 VanDerWaalsContact C-N 3.33Å; I123-S125 PolarHBondContact O-N 3.43Å; I123-I128 HydrophobicContact CD1-CD1 3.88Å; I123-I128 HydrophobicContact CG1-CD1 4.15Å
124P87.1Confident89.3Confident28 Ų2831.8 Ų31.818%0.18217%0.167CC..  trans-72.286.4179.128.8-34.8000110.3L58 D126 L127L58-P124 HydrophobicContact CD2-CG 4.37Å; P124-D126 PolarHBondContact O-N 3.47Å; P124-D126 VanDerWaalsContact O-N 3.13Å; P124-L127 HydrophobicContact CB-CB 4.44Å; P124-L127 HydrophobicContact CB-CD1 3.98Å; P124-L127 HydrophobicContact CB-CG 4.2Å; P124-L127 HydrophobicContact CG-CD1 4.19Å; P124-L127 PolarHBondContact O-N 3.17Å; P124-L127 VanDerWaalsContact O-N 3.08Å
125S85.5Confident89.4Confident13 Ų1333.1 Ų33.19%0.09117%0.172CC..G310 helixtrans-54-36.7-170.951.40000113.8I123 L127 I128 N156I123-S125 VanDerWaalsContact C-N 3.33Å; I123-S125 PolarHBondContact O-N 3.43Å; S125-L127 VanDerWaalsContact C-N 3.28Å; S125-L127 PolarHBondContact O-N 2.9Å; S125-I128 WeakPolarHBondContact O-CB 3.46Å; S125-I128 PolarHBondContact O-N 3.19Å; S125-N156 PolarHBondContact O-ND2 2.77Å
126D86.2Confident89.4Confident128 Ų12833 Ų3368%0.68417%0.171SC*.G310 helixtrans-69-25.8-175.9-59.63.7000112.9P124P124-D126 PolarHBondContact O-N 3.47Å; P124-D126 VanDerWaalsContact O-N 3.13Å
127L87.7Confident89.4Confident113 Ų11333.3 Ų33.359%0.59217%0.171SC*.G310 helixtrans-87-13.1-179.7-58.6-176.9000112.8P124 S125 T129P124-L127 HydrophobicContact CB-CB 4.44Å; P124-L127 HydrophobicContact CB-CD1 3.98Å; P124-L127 HydrophobicContact CB-CG 4.2Å; P124-L127 HydrophobicContact CG-CD1 4.19Å; P124-L127 PolarHBondContact O-N 3.17Å; P124-L127 VanDerWaalsContact O-N 3.08Å; S125-L127 VanDerWaalsContact C-N 3.28Å; S125-L127 PolarHBondContact O-N 2.9Å; L127-T129 PolarHBondContact O-N 3.32Å; L127-T129 VanDerWaalsContact O-N 3.11Å
128I92.4Very high89.2Confident3 Ų339.2 Ų39.22%0.01519%0.193CC..EExtended strand (participates in β ladder)trans-65114.3179.9-57.2175.6000109.2L58 L60 F118 I123 S125 I131 F152 N156L58-I128 HydrophobicContact CD2-CG1 3.8Å; L58-I128 HydrophobicContact CG-CG1 4.26Å; L60-I128 HydrophobicContact CD1-CD1 4.22Å; F118-I128 HydrophobicContact CE1-CD1 3.73Å; F118-I128 HydrophobicContact CZ-CD1 3.49Å; F118-I128 VanDerWaalsContact CZ-CD1 3.49Å; I123-I128 HydrophobicContact CD1-CD1 3.88Å; I123-I128 HydrophobicContact CG1-CD1 4.15Å; S125-I128 WeakPolarHBondContact O-CB 3.46Å; S125-I128 PolarHBondContact O-N 3.19Å; I128-I131 HydrophobicContact CG2-CG1 4.45Å; I128-F152 HydrophobicContact CB-CE2 3.94Å; I128-F152 HydrophobicContact CD1-CD2 4.32Å; I128-F152 HydrophobicContact CG2-CD2 4.22Å; I128-F152 HydrophobicContact CG2-CE2 3.57Å; I128-F152 HydrophobicContact CG2-CZ 4.32Å; I128-N156 PolarHBondContact O-ND2 3.13Å
129T92.4Very high89Confident47 Ų4739.2 Ų39.229%0.28819%0.193SC..EExtended strand (participates in β ladder)trans-76.3-32-178.8-45.60000111.4C57 L58 L127 G159 F160C57-T129 WeakPolarHBondContact CA-OG1 3.26Å; C57-T129 HydrophobicContact CB-CG2 4.34Å; L58-T129 PolarHBondContact N-OG1 3.49Å; L58-T129 WeakPolarHBondContact O-CB 3.24Å; L58-T129 PolarHBondContact O-N 3.37Å; L58-T129 PolarHBondContact O-OG1 3.35Å; L127-T129 PolarHBondContact O-N 3.32Å; L127-T129 VanDerWaalsContact O-N 3.11Å; T129-G159 WeakPolarHBondContact O-CA 3.48Å; T129-F160 HydrophobicContact CG2-CE1 4.21Å; T129-F160 WeakPolarHBondContact O-CD1 3.47Å; T129-F160 PolarHBondContact O-N 3.21Å; T129-F160 VanDerWaalsContact O-N 3.13Å
130G92.3Very high88.4Confident0 Ų041.3 Ų41.30%020%0.204CC..EExtended strand (participates in β ladder)trans176.3177.4173.600000114V59 L60 F160V59-G130 WeakPolarHBondContact CA-O 3.16Å; L60-G130 PolarHBondContact N-O 3.21Å; G130-F160 CarbonylContact C-O 3.55Å; G130-F160 WeakPolarHBondContact CA-O 3.37Å
131I94.8Very high87.3Confident0 Ų041.7 Ų41.70%020%0.202CC..EExtended strand (participates in β ladder)trans-125.2129.7177.6-59.2-175000109.8L60 L62 I128 V133 L149 F152 F160 K162L60-I131 HydrophobicContact CB-CG1 4.4Å; L60-I131 WeakPolarHBondContact O-CA 3.48Å; L62-I131 HydrophobicContact CD1-CG2 3.56Å; L62-I131 HydrophobicContact CG-CG2 3.88Å; I128-I131 HydrophobicContact CG2-CG1 4.45Å; I131-V133 HydrophobicContact CG2-CG2 4.07Å; I131-L149 HydrophobicContact CB-CD2 4.37Å; I131-L149 HydrophobicContact CD1-CD2 4.08Å; I131-L149 HydrophobicContact CG2-CD2 3.97Å; I131-F152 HydrophobicContact CD1-CB 3.88Å; I131-F152 HydrophobicContact CD1-CD1 3.6Å; I131-F152 HydrophobicContact CD1-CD2 3.87Å; I131-F152 HydrophobicContact CD1-CE1 4.03Å; I131-F152 HydrophobicContact CD1-CE2 4.28Å; I131-F152 HydrophobicContact CD1-CG 3.49Å; I131-F152 VanDerWaalsContact CD1-CG 3.49Å; I131-F152 HydrophobicContact CD1-CZ 4.34Å; I131-F152 HydrophobicContact CG1-CD1 4.23Å; I131-F152 HydrophobicContact CG1-CD2 4.43Å; I131-F152 HydrophobicContact CG1-CE1 4.14Å; I131-F152 HydrophobicContact CG1-CE2 4.36Å; I131-F152 HydrophobicContact CG1-CG 4.36Å; I131-F152 HydrophobicContact CG1-CZ 4.2Å; I131-F160 PolarHBondContact N-O 3.03Å; I131-K162 PolarHBondContact O-N 2.72Å; I131-K162 VanDerWaalsContact O-N 3.14Å
132L95Very high86.6Confident0 Ų038.5 Ų38.50%019%0.187CC..EExtended strand (participates in β ladder)trans-101.7115.6173.1-61.8179.5000109.3L45 F48 V59 L60 V61 L62 F160 K162 F164L45-L132 HydrophobicContact CD1-CB 4.41Å; L45-L132 HydrophobicContact CD1-CD1 4.48Å; F48-L132 HydrophobicContact CB-CD1 4.17Å; F48-L132 HydrophobicContact CB-CD2 4.42Å; V59-L132 HydrophobicContact CG1-CD1 3.94Å; V59-L132 HydrophobicContact CG1-CG 3.78Å; L60-L132 PolarHBondContact O-N 2.85Å; V61-L132 WeakPolarHBondContact CA-O 3.29Å; V61-L132 HydrophobicContact CG2-CB 4.36Å; V61-L132 HydrophobicContact CG2-CD1 4.44Å; L62-L132 PolarHBondContact N-O 3.36Å; L132-F160 HydrophobicContact CD2-CE2 3.83Å; L132-K162 HydrophobicContact CD2-CB 4.06Å; L132-F164 HydrophobicContact CD2-CE2 4.33Å
133V94.6Very high86.3Confident0 Ų034.4 Ų34.40%018%0.177CC..EExtended strand (participates in β ladder)trans-101.8115.1-176.5-178.40000109.7L62 I131 A136 I139 L149 I161 K162 A163 F164 L185L62-V133 HydrophobicContact CD1-CG2 4.38Å; I131-V133 HydrophobicContact CG2-CG2 4.07Å; V133-A136 HydrophobicContact CG1-CB 4.29Å; V133-I139 HydrophobicContact CG1-CD1 3.36Å; V133-L149 HydrophobicContact CG2-CD1 4.26Å; V133-L149 HydrophobicContact CG2-CD2 4.16Å; V133-I161 HydrophobicContact CG2-CG2 4.24Å; V133-K162 PolarHBondContact N-O 2.99Å; V133-A163 HydrophobicContact CB-CB 3.95Å; V133-A163 HydrophobicContact CG1-CB 4.45Å; V133-A163 CarbonylContact O-C 3.42Å; V133-A163 WeakPolarHBondContact O-CA 3.46Å; V133-F164 PolarHBondContact O-N 3.06Å; V133-L185 HydrophobicContact CB-CD2 4.4Å; V133-L185 HydrophobicContact CG1-CD2 4.05Å; V133-L185 HydrophobicContact CG2-CD2 4.24Å
134Y93.2Very high86.2Confident9 Ų935.8 Ų35.84%0.03518%0.183CC..  trans-95.1154.7175.4-170.5-132.4000111.8D42 L45 L62 N63 T64 E68 A136 F164 Y564D42-Y134 PolarHBondContact OD1-OH 2.94Å; L45-Y134 HydrophobicContact CD2-CD2 3.91Å; L45-Y134 HydrophobicContact CD2-CE2 4.29Å; L45-Y134 HydrophobicContact CD2-CG 4.1Å; L62-Y134 WeakPolarHBondContact O-CB 3.49Å; L62-Y134 PolarHBondContact O-N 3.27Å; L62-Y134 VanDerWaalsContact O-N 3.12Å; N63-Y134 PolarHBondContact ND2-O 3.41Å; T64-Y134 HydrophobicContact CG2-CD1 4.17Å; E68-Y134 WeakPolarHBondContact OE1-CE1 3.22Å; Y134-A136 VanDerWaalsContact C-N 3.28Å; Y134-A136 PolarHBondContact O-N 3.06Å; Y134-F164 CarbonylContact C-O 3.34Å; Y134-F164 HydrophobicContact CD2-CB 4.41Å; Y134-Y564 PolarHBondContact OH-OH 3.27Å
135R90.8Very high86.3Confident27 Ų2735.1 Ų35.110%0.10218%0.178CC..SBendtrans47.247.5179.6-65.9157.4170.3-163.4-2.4113.2N63 Q65 E68 H137 R138 F164N63-R135 PolarHBondContact ND2-O 3.47Å; Q65-R135 VanDerWaalsContact CD-NH1 3.32Å; Q65-R135 VanDerWaalsContact OE1-CZ 3.24Å; E68-R135 VanDerWaalsContact CD-NH2 3.28Å; E68-R135 IonicContact OE1-CZ 3.17Å; E68-R135 VanDerWaalsContact OE1-CZ 3.3Å; E68-R135 IonicContact OE1-NE 3.29Å; E68-R135 IonicContact OE1-NH2 3.26Å; E68-R135 PolarHBondContact OE1-NH2 3.31Å; E68-R135 IonicContact OE2-CZ 2.7Å; E68-R135 IonicContact OE2-NE 2.74Å; E68-R135 IonicContact OE2-NH1 2.87Å; E68-R135 IonicContact OE2-NH2 2.89Å; E68-R135 PolarHBondContact OE2-NH2 3.21Å; R135-H137 PolarHBondContact O-N 3.23Å; R135-R138 PolarHBondContact O-N 3.13Å; R135-R138 VanDerWaalsContact O-N 3.11Å; R135-F164 PolarHBondContact N-O 2.88Å
136A89.8Confident86.3Confident0 Ų034.6 Ų34.60%017%0.174CC..G310 helixtrans-55.5-21.5-171.100000115.3L32 V133 Y134 R138 I139 A163 F164 T165 L185L32-A136 HydrophobicContact CD1-CB 3.69Å; V133-A136 HydrophobicContact CG1-CB 4.29Å; Y134-A136 VanDerWaalsContact C-N 3.28Å; Y134-A136 PolarHBondContact O-N 3.06Å; A136-R138 PolarHBondContact O-N 2.66Å; A136-I139 WeakPolarHBondContact O-CB 3.12Å; A136-I139 PolarHBondContact O-N 3.34Å; A136-A163 HydrophobicContact CB-CB 4.13Å; A136-F164 PolarHBondContact N-O 3.47Å; A136-F164 VanDerWaalsContact N-O 3.14Å; A136-T165 HydrophobicContact CB-CG2 4.48Å; A136-L185 HydrophobicContact CB-CD1 4.46Å
137H87.9Confident86.5Confident30 Ų3029 Ų2914%0.13914%0.144CC..G310 helixtrans-59.2-8173.168-96.9000115.4R135 T165 D166 N167 A170 F171R135-H137 PolarHBondContact O-N 3.23Å; H137-T165 PolarHBondContact ND1-OG1 3.03Å; H137-D166 IonicContact CE1-OD1 3.68Å; H137-N167 PolarHBondContact CD2-ND2 3.1Å; H137-N167 PolarHBondContact NE2-ND2 3.06Å; H137-A170 HydrophobicContact CB-CB 3.9Å; H137-F171 HydrophobicContact CB-CD2 4.35Å; H137-F171 HydrophobicContact CB-CE2 3.63Å; H137-F171 HydrophobicContact CB-CZ 3.82Å
138R85.3Confident86.6Confident124 Ų12423.6 Ų23.647%0.46812%0.115SC..G310 helixtrans-90.1-6.9173.7-61.5-173-176.4173.3-1.1113.9N63 R135 A136 I140 C143N63-R138 PolarHBondContact OD1-NH1 2.84Å; R135-R138 PolarHBondContact O-N 3.13Å; R135-R138 VanDerWaalsContact O-N 3.11Å; A136-R138 PolarHBondContact O-N 2.66Å; R138-I140 PolarHBondContact O-N 2.67Å; R138-C143 PolarHBondContact O-SG 3.42Å; R138-C143 VanDerWaalsContact O-SG 3.4Å
139I84.1Confident86.5Confident1 Ų123.4 Ų23.41%0.00512%0.115CC..  trans-89.3101.4-170.5-61.8-179.3000110.5V133 A136 E145 A146 N184 L185V133-I139 HydrophobicContact CG1-CD1 3.36Å; A136-I139 WeakPolarHBondContact O-CB 3.12Å; A136-I139 PolarHBondContact O-N 3.34Å; I139-E145 HydrophobicContact CD1-CB 3.79Å; I139-E145 HydrophobicContact CD1-CG 4.27Å; I139-E145 HydrophobicContact CG1-CB 3.91Å; I139-E145 HydrophobicContact CG1-CG 4.16Å; I139-A146 HydrophobicContact CG2-CB 4.13Å; I139-N184 HydrophobicContact CG2-CB 4.05Å; I139-L185 HydrophobicContact CD1-CD2 3.9Å
140I76.3Confident86.3Confident62 Ų6221.6 Ų21.632%0.31810%0.103SC..  trans-101160.9170.5-49.4175.9000107.9R138 S142 C143R138-I140 PolarHBondContact O-N 2.67Å; I140-S142 WeakPolarHBondContact CG2-OG 3.36Å; I140-S142 PolarHBondContact O-N 3.32Å; I140-C143 PolarHBondContact N-SG 3.3Å; I140-C143 VanDerWaalsContact N-SG 3.41Å; I140-C143 WeakPolarHBondContact O-CB 3.31Å; I140-C143 PolarHBondContact O-N 3.44Å
141E61.3Low86.1Confident65 Ų6521.7 Ų21.730%0.30410%0.103SC..THydrogen-bonded Turntrans-54-23.8178.5-63.3168139.300113.4R180 R183 N184E141-R180 HydrophobicContact CG-CG 3.97Å; E141-R180 WeakPolarHBondContact OE1-CG 3.38Å; E141-R180 WeakPolarHBondContact OE2-CD 3.39Å; E141-R180 IonicContact OE2-NH1 2.74Å; E141-R180 PolarHBondContact OE2-NH1 2.86Å; E141-R183 IonicContact OE1-CZ 2.78Å; E141-R183 IonicContact OE1-NE 3.23Å; E141-R183 IonicContact OE1-NH2 2.79Å; E141-R183 PolarHBondContact OE1-NH2 3.02Å; E141-N184 WeakPolarHBondContact CG-ND2 3.41Å; E141-N184 WeakPolarHBondContact CG-OD1 3.46Å; E141-N184 PolarHBondContact N-ND2 3.5Å
142S69.8Low86Confident34 Ų3421.7 Ų21.724%0.23810%0.103CC..THydrogen-bonded Turntrans-86-6.4179.350.50000115.5I140 E694I140-S142 WeakPolarHBondContact CG2-OG 3.36Å; I140-S142 PolarHBondContact O-N 3.32Å; S142-E694 WeakPolarHBondContact CB-OE1 3.49Å
143C78.9Confident85.7Confident36 Ų3621.7 Ų21.724%0.24310%0.103CC..SBendtrans-88.8148.8-170.7-67.30000113.2R138 I140 E145 A146 F147R138-C143 PolarHBondContact O-SG 3.42Å; R138-C143 VanDerWaalsContact O-SG 3.4Å; I140-C143 PolarHBondContact N-SG 3.3Å; I140-C143 VanDerWaalsContact N-SG 3.41Å; I140-C143 WeakPolarHBondContact O-CB 3.31Å; I140-C143 PolarHBondContact O-N 3.44Å; C143-E145 PolarHBondContact O-N 2.92Å; C143-A146 WeakPolarHBondContact O-CB 3.44Å; C143-A146 PolarHBondContact O-N 2.9Å; C143-F147 PolarHBondContact O-N 3.48Å
144Q85.4Confident85.2Confident31 Ų3123.4 Ų23.415%0.14511%0.111CC..Hα-helixtrans-53.4-38.4175.6-62.8-170-36.600112.2R112 A146 F147 I148 F691R112-Q144 VanDerWaalsContact CG-OE1 3.23Å; Q144-A146 PolarHBondContact O-N 2.89Å; Q144-F147 WeakPolarHBondContact O-CB 3.23Å; Q144-F147 PolarHBondContact O-N 3.47Å; Q144-F147 VanDerWaalsContact O-N 3.12Å; Q144-I148 WeakPolarHBondContact O-CG1 3.47Å; Q144-I148 PolarHBondContact O-N 3.02Å; Q144-F691 WeakPolarHBondContact CG-O 3.41Å; Q144-F691 PolarHBondContact NE2-O 2.91Å
145E88.9Confident84.8Confident15 Ų1525.8 Ų25.87%0.0712%0.121CC..Hα-helixtrans-58.9-44175.8-45.4-54.3159.700112.5S111 I139 C143 F147 I148 L149S111-E145 WeakPolarHBondContact CB-OE1 3.46Å; S111-E145 PolarHBondContact OG-OE1 3.47Å; I139-E145 HydrophobicContact CD1-CB 3.79Å; I139-E145 HydrophobicContact CD1-CG 4.27Å; I139-E145 HydrophobicContact CG1-CB 3.91Å; I139-E145 HydrophobicContact CG1-CG 4.16Å; C143-E145 PolarHBondContact O-N 2.92Å; E145-F147 PolarHBondContact O-N 3.36Å; E145-I148 PolarHBondContact O-N 3.1Å; E145-L149 VanDerWaalsContact O-CG 3.26Å; E145-L149 WeakPolarHBondContact O-CG 3.43Å; E145-L149 PolarHBondContact O-N 2.97Å
146A86.6Confident84.6Confident1 Ų124.8 Ų24.81%0.00812%0.118CC..Hα-helixtrans-66.3-28178.200000112I139 C143 Q144 R150 N184I139-A146 HydrophobicContact CG2-CB 4.13Å; C143-A146 WeakPolarHBondContact O-CB 3.44Å; C143-A146 PolarHBondContact O-N 2.9Å; Q144-A146 PolarHBondContact O-N 2.89Å; A146-R150 WeakPolarHBondContact O-CB 3.26Å; A146-R150 PolarHBondContact O-N 2.92Å; A146-N184 HydrophobicContact CB-CB 4.08Å
147F88.7Confident84.3Confident10 Ų1027.2 Ų27.24%0.04413%0.129CC..Hα-helixtrans-75.4-42.1172.9-170.1-130.4000112.1V115 L119 C143 Q144 E145 L149 R150 L151 H700V115-F147 HydrophobicContact CG1-CD1 3.88Å; V115-F147 HydrophobicContact CG1-CE1 3.85Å; V115-F147 HydrophobicContact CG2-CD1 4.12Å; L119-F147 HydrophobicContact CD1-CE1 4.27Å; L119-F147 HydrophobicContact CD2-CE1 4.46Å; L119-F147 HydrophobicContact CD2-CZ 4.24Å; C143-F147 PolarHBondContact O-N 3.48Å; Q144-F147 WeakPolarHBondContact O-CB 3.23Å; Q144-F147 PolarHBondContact O-N 3.47Å; Q144-F147 VanDerWaalsContact O-N 3.12Å; E145-F147 PolarHBondContact O-N 3.36Å; F147-L149 PolarHBondContact O-N 2.65Å; F147-R150 PolarHBondContact O-N 2.88Å; F147-L151 HydrophobicContact CD1-CD1 3.99Å; F147-L151 HydrophobicContact CD2-CG 4.45Å; F147-L151 HydrophobicContact CE1-CD1 3.77Å; F147-L151 HydrophobicContact CE2-CD1 4.34Å; F147-L151 HydrophobicContact CE2-CD2 4.39Å; F147-L151 HydrophobicContact CE2-CG 4.23Å; F147-L151 HydrophobicContact CG-CD1 4.39Å; F147-L151 HydrophobicContact CZ-CD1 3.95Å; F147-L151 HydrophobicContact CZ-CD2 4.33Å; F147-L151 HydrophobicContact CZ-CG 4.27Å; F147-L151 WeakPolarHBondContact O-CG 3.32Å; F147-L151 PolarHBondContact O-N 2.94Å; F147-H700 HydrophobicContact CE2-CB 3.87Å; F147-H700 AromaticContact CE2-CG 3.82Å; F147-H700 AromaticContact CE2-ND1 3.77Å; F147-H700 HydrophobicContact CZ-CB 3.93Å; F147-H700 AromaticContact CZ-CG 3.89Å
148I91.1Very high84.2Confident0 Ų037.1 Ų37.10%017%0.165CC..Hα-helixtrans-58.2-49.2173.3-64.5163.5000110.6L62 S111 L114 V115 F118 Q144 E145 R150 L151 F152L62-I148 HydrophobicContact CD1-CG2 4.31Å; L62-I148 HydrophobicContact CD2-CD1 4.19Å; S111-I148 WeakPolarHBondContact O-CD1 3.29Å; L114-I148 HydrophobicContact CB-CD1 4Å; L114-I148 HydrophobicContact CB-CG1 4.38Å; L114-I148 HydrophobicContact CD1-CD1 4.44Å; V115-I148 HydrophobicContact CG2-CD1 4.12Å; V115-I148 HydrophobicContact CG2-CG1 3.55Å; F118-I148 HydrophobicContact CD2-CG2 4.15Å; F118-I148 HydrophobicContact CE2-CG2 3.85Å; Q144-I148 WeakPolarHBondContact O-CG1 3.47Å; Q144-I148 PolarHBondContact O-N 3.02Å; E145-I148 PolarHBondContact O-N 3.1Å; I148-R150 VanDerWaalsContact C-N 3.29Å; I148-R150 PolarHBondContact O-N 3.07Å; I148-L151 PolarHBondContact O-N 3.2Å; I148-F152 VanDerWaalsContact O-CB 3.29Å; I148-F152 WeakPolarHBondContact O-CB 3.34Å; I148-F152 PolarHBondContact O-N 3.11Å
149L90.2Very high84.3Confident0 Ų031.4 Ų31.40%014%0.144CC..Hα-helixtrans-64.1-34.7-179-63.5171.9000111.8L62 I131 V133 E145 F147 R153 I161 L185 F186L62-L149 HydrophobicContact CD1-CD2 4.2Å; I131-L149 HydrophobicContact CB-CD2 4.37Å; I131-L149 HydrophobicContact CD1-CD2 4.08Å; I131-L149 HydrophobicContact CG2-CD2 3.97Å; V133-L149 HydrophobicContact CG2-CD1 4.26Å; V133-L149 HydrophobicContact CG2-CD2 4.16Å; E145-L149 VanDerWaalsContact O-CG 3.26Å; E145-L149 WeakPolarHBondContact O-CG 3.43Å; E145-L149 PolarHBondContact O-N 2.97Å; F147-L149 PolarHBondContact O-N 2.65Å; L149-R153 VanDerWaalsContact O-CB 3.27Å; L149-R153 WeakPolarHBondContact O-CB 3.42Å; L149-R153 PolarHBondContact O-N 3.48Å; L149-I161 HydrophobicContact CD2-CD1 4.19Å; L149-I161 HydrophobicContact CD2-CG2 4.39Å; L149-L185 HydrophobicContact CD1-CD2 3.83Å; L149-F186 HydrophobicContact CB-CD2 4.33Å; L149-F186 HydrophobicContact CB-CE2 4.45Å
150R88.1Confident84.7Confident9 Ų932.6 Ų32.63%0.03415%0.15CC..Hα-helixtrans-68-45173.2-164.9-173.2-53.4151.98.2112.3A146 F147 I148 R153 Q154 F186 L656 S697A146-R150 WeakPolarHBondContact O-CB 3.26Å; A146-R150 PolarHBondContact O-N 2.92Å; F147-R150 PolarHBondContact O-N 2.88Å; I148-R150 VanDerWaalsContact C-N 3.29Å; I148-R150 PolarHBondContact O-N 3.07Å; R150-R153 PolarHBondContact O-N 3.4Å; R150-Q154 WeakPolarHBondContact O-CG 3.14Å; R150-Q154 PolarHBondContact O-N 3.46Å; R150-F186 HydrophobicContact CB-CE2 4.25Å; R150-F186 HydrophobicContact CB-CZ 4.33Å; R150-F186 HydrophobicContact CG-CZ 4.28Å; R150-L656 HydrophobicContact CG-CD2 4Å; R150-S697 PolarHBondContact NH1-O 2.94Å
151L88.5Confident85.5Confident2 Ų229.7 Ų29.71%0.0113%0.134CC..Hα-helixtrans-62.6-45.8176.1-73.2171.3000111.5F118 L119 F147 I148 R153 Q154 K155 H700F118-L151 HydrophobicContact CB-CB 4.28Å; F118-L151 HydrophobicContact CB-CD1 4Å; L119-L151 HydrophobicContact CD2-CD1 4.18Å; L119-L151 HydrophobicContact CD2-CD2 4.11Å; L119-L151 HydrophobicContact CG-CD1 4.21Å; F147-L151 HydrophobicContact CD1-CD1 3.99Å; F147-L151 HydrophobicContact CD2-CG 4.45Å; F147-L151 HydrophobicContact CE1-CD1 3.77Å; F147-L151 HydrophobicContact CE2-CD1 4.34Å; F147-L151 HydrophobicContact CE2-CD2 4.39Å; F147-L151 HydrophobicContact CE2-CG 4.23Å; F147-L151 HydrophobicContact CG-CD1 4.39Å; F147-L151 HydrophobicContact CZ-CD1 3.95Å; F147-L151 HydrophobicContact CZ-CD2 4.33Å; F147-L151 HydrophobicContact CZ-CG 4.27Å; F147-L151 WeakPolarHBondContact O-CG 3.32Å; F147-L151 PolarHBondContact O-N 2.94Å; I148-L151 PolarHBondContact O-N 3.2Å; L151-R153 PolarHBondContact O-N 2.89Å; L151-Q154 PolarHBondContact O-N 3.28Å; L151-K155 PolarHBondContact O-N 2.88Å; L151-H700 WeakPolarHBondContact CD2-CE1 3.44Å; L151-H700 WeakPolarHBondContact CD2-NE2 3.42Å
152F91.4Very high87.1Confident0 Ų026.9 Ų26.90%012%0.121CC..Hα-helixtrans-56.8-48.3173.6168.7-112.8000111.4F118 I128 I131 I148 Q154 K155 N156 I161F118-F152 HydrophobicContact CE1-CB 4.21Å; F118-F152 HydrophobicContact CE1-CD2 4.48Å; F118-F152 HydrophobicContact CZ-CB 4.15Å; F118-F152 HydrophobicContact CZ-CD2 4.38Å; I128-F152 HydrophobicContact CB-CE2 3.94Å; I128-F152 HydrophobicContact CD1-CD2 4.32Å; I128-F152 HydrophobicContact CG2-CD2 4.22Å; I128-F152 HydrophobicContact CG2-CE2 3.57Å; I128-F152 HydrophobicContact CG2-CZ 4.32Å; I131-F152 HydrophobicContact CD1-CB 3.88Å; I131-F152 HydrophobicContact CD1-CD1 3.6Å; I131-F152 HydrophobicContact CD1-CD2 3.87Å; I131-F152 HydrophobicContact CD1-CE1 4.03Å; I131-F152 HydrophobicContact CD1-CE2 4.28Å; I131-F152 HydrophobicContact CD1-CG 3.49Å; I131-F152 VanDerWaalsContact CD1-CG 3.49Å; I131-F152 HydrophobicContact CD1-CZ 4.34Å; I131-F152 HydrophobicContact CG1-CD1 4.23Å; I131-F152 HydrophobicContact CG1-CD2 4.43Å; I131-F152 HydrophobicContact CG1-CE1 4.14Å; I131-F152 HydrophobicContact CG1-CE2 4.36Å; I131-F152 HydrophobicContact CG1-CG 4.36Å; I131-F152 HydrophobicContact CG1-CZ 4.2Å; I148-F152 VanDerWaalsContact O-CB 3.29Å; I148-F152 WeakPolarHBondContact O-CB 3.34Å; I148-F152 PolarHBondContact O-N 3.11Å; F152-Q154 PolarHBondContact O-N 2.84Å; F152-K155 PolarHBondContact O-N 2.78Å; F152-N156 HydrophobicContact CD2-CB 4.11Å; F152-N156 HydrophobicContact CE2-CB 3.85Å; F152-N156 PolarHBondContact O-N 2.77Å; F152-I161 HydrophobicContact CD1-CD1 4.09Å; F152-I161 HydrophobicContact CD1-CG1 4.32Å; F152-I161 HydrophobicContact CE1-CD1 4Å; F152-I161 HydrophobicContact CE1-CG1 3.79Å
153R88.3Confident88.3Confident0 Ų025.3 Ų25.30%011%0.11CC..Hα-helixtrans-77.5-16.2-177.5-166.364.294-142.98.9114.4L149 R150 L151 K157 G159 F186 E647 G648 L656L149-R153 VanDerWaalsContact O-CB 3.27Å; L149-R153 WeakPolarHBondContact O-CB 3.42Å; L149-R153 PolarHBondContact O-N 3.48Å; R150-R153 PolarHBondContact O-N 3.4Å; L151-R153 PolarHBondContact O-N 2.89Å; R153-K157 WeakPolarHBondContact O-CD 3.39Å; R153-K157 PolarHBondContact O-NZ 3.45Å; R153-K157 VanDerWaalsContact O-NZ 3.17Å; R153-G159 PolarHBondContact NH1-O 3.38Å; R153-F186 HydrophobicContact CB-CD2 4.48Å; R153-F186 HydrophobicContact CG-CD1 4.41Å; R153-F186 HydrophobicContact CG-CG 4.34Å; R153-E647 PolarHBondContact NE-O 3.45Å; R153-E647 PolarHBondContact NH2-O 3.11Å; R153-G648 WeakPolarHBondContact CD-O 3.5Å; R153-G648 WeakPolarHBondContact CG-O 3.44Å; R153-L656 HydrophobicContact CB-CD2 4.32Å; R153-L656 HydrophobicContact CG-CD1 3.93Å; R153-L656 HydrophobicContact CG-CD2 4.42Å
154Q84.1Confident89Confident36 Ų3623.6 Ų23.617%0.16810%0.099CC..Hα-helixtrans-69.3-47.5163.8-80.9-174.4-8.400111.3R150 L151 F152 L656 R658 H700R150-Q154 WeakPolarHBondContact O-CG 3.14Å; R150-Q154 PolarHBondContact O-N 3.46Å; L151-Q154 PolarHBondContact O-N 3.28Å; F152-Q154 PolarHBondContact O-N 2.84Å; Q154-L656 HydrophobicContact CG-CB 4.35Å; Q154-L656 HydrophobicContact CG-CD2 4.31Å; Q154-L656 PolarHBondContact NE2-O 3.1Å; Q154-R658 VanDerWaalsContact OE1-NE 3.17Å; Q154-H700 PolarHBondContact OE1-CE1 3.11Å
155K85.1Confident89.4Confident58 Ų5822.1 Ų22.125%0.2529%0.092SC..Hα-helixtrans-84.3-37.9-174-65.1-177.9174.3-177.90113.9F118 D121 L151 F152F118-K155 PolarHBondContact O-NZ 3.29Å; D121-K155 IonicContact OD1-NZ 2.68Å; D121-K155 PolarHBondContact OD1-NZ 2.75Å; D121-K155 IonicContact OD2-NZ 2.61Å; D121-K155 PolarHBondContact OD2-NZ 2.77Å; L151-K155 PolarHBondContact O-N 2.88Å; F152-K155 PolarHBondContact O-N 2.78Å
156N86.6Confident89.5Confident7 Ų723.4 Ų23.44%0.03710%0.099CC..  trans-124.7114.6-173.9-175.7-22.9000112S125 I128 F152 R158 G159S125-N156 PolarHBondContact O-ND2 2.77Å; I128-N156 PolarHBondContact O-ND2 3.13Å; F152-N156 HydrophobicContact CD2-CB 4.11Å; F152-N156 HydrophobicContact CE2-CB 3.85Å; F152-N156 PolarHBondContact O-N 2.77Å; N156-R158 PolarHBondContact OD1-N 2.9Å; N156-G159 PolarHBondContact OD1-N 2.91Å
157K84.3Confident89.6Confident51 Ų5124.6 Ų24.622%0.22211%0.106CC..SBendtrans-91.9-15.4178.3-52.6-55.7-170164.30114.3R153 G648 R649 E651R153-K157 WeakPolarHBondContact O-CD 3.39Å; R153-K157 PolarHBondContact O-NZ 3.45Å; R153-K157 VanDerWaalsContact O-NZ 3.17Å; K157-G648 PolarHBondContact NZ-O 2.92Å; K157-G648 VanDerWaalsContact NZ-O 3.17Å; K157-R649 WeakPolarHBondContact CD-O 3.25Å; K157-R649 WeakPolarHBondContact O-CG 3.41Å; K157-E651 WeakPolarHBondContact CE-OE1 3.43Å; K157-E651 IonicContact NZ-OE1 2.66Å; K157-E651 PolarHBondContact NZ-OE1 2.55Å
158R85.5Confident89.6Confident238 Ų23824.2 Ų24.290%0.89810%0.104SC*.SBendtrans-91.2-35.9-172.4-65.2-179.5179.4170.41112.9N156N156-R158 PolarHBondContact OD1-N 2.9Å
159G87.5Confident89.5Confident3 Ų326.2 Ų26.23%0.03112%0.116CC..SBendtrans-69.7141.1-172.200000113.3T129 R153 N156T129-G159 WeakPolarHBondContact O-CA 3.48Å; R153-G159 PolarHBondContact NH1-O 3.38Å; N156-G159 PolarHBondContact OD1-N 2.91Å
160F92.4Very high89.3Confident27 Ų2727.3 Ų27.312%0.11813%0.125CC..EExtended strand (participates in β ladder)trans-77.3158.1-176.566.5-105.3000112.9D30 H52 V59 T129 G130 I131 L132 K162D30-F160 WeakPolarHBondContact OD1-CB 3.39Å; D30-F160 VanDerWaalsContact OD2-CA 3.28Å; D30-F160 WeakPolarHBondContact OD2-CA 3.23Å; D30-F160 WeakPolarHBondContact OD2-CB 3.26Å; H52-F160 AromaticContact CD2-CZ 3.75Å; H52-F160 AromaticContact CE1-CE1 3.75Å; H52-F160 AromaticContact CE1-CZ 3.73Å; H52-F160 AromaticContact NE2-CE1 3.89Å; H52-F160 AromaticContact NE2-CZ 3.41Å; H52-F160 WeakPolarHBondContact NE2-CZ 3.29Å; V59-F160 HydrophobicContact CG2-CE1 4.5Å; V59-F160 HydrophobicContact CG2-CZ 4.06Å; T129-F160 HydrophobicContact CG2-CE1 4.21Å; T129-F160 WeakPolarHBondContact O-CD1 3.47Å; T129-F160 PolarHBondContact O-N 3.21Å; T129-F160 VanDerWaalsContact O-N 3.13Å; G130-F160 CarbonylContact C-O 3.55Å; G130-F160 WeakPolarHBondContact CA-O 3.37Å; I131-F160 PolarHBondContact N-O 3.03Å; L132-F160 HydrophobicContact CD2-CE2 3.83Å; F160-K162 HydrophobicContact CD2-CD 3.92Å; F160-K162 HydrophobicContact CD2-CG 3.88Å; F160-K162 HydrophobicContact CE2-CD 4.11Å; F160-K162 HydrophobicContact CE2-CG 4.38Å
161I93.9Very high89.2Confident0 Ų027 Ų270%012%0.124CC..EExtended strand (participates in β ladder)trans-128.9121.6168-57.2173.7000109D30 V133 L149 F152 L185 F186 V187D30-I161 WeakPolarHBondContact CB-O 3.44Å; D30-I161 VanDerWaalsContact CG-O 3.26Å; D30-I161 PolarHBondContact OD2-N 2.74Å; V133-I161 HydrophobicContact CG2-CG2 4.24Å; L149-I161 HydrophobicContact CD2-CD1 4.19Å; L149-I161 HydrophobicContact CD2-CG2 4.39Å; F152-I161 HydrophobicContact CD1-CD1 4.09Å; F152-I161 HydrophobicContact CD1-CG1 4.32Å; F152-I161 HydrophobicContact CE1-CD1 4Å; F152-I161 HydrophobicContact CE1-CG1 3.79Å; I161-L185 WeakPolarHBondContact CD1-O 3.42Å; I161-F186 HydrophobicContact CD1-CB 4.28Å; I161-V187 HydrophobicContact CB-CG1 4.22Å; I161-V187 HydrophobicContact CG2-CG1 4.13Å
162K94.5Very high88.9Confident7 Ų729.1 Ų29.13%0.0314%0.135CC..EExtended strand (participates in β ladder)trans-127.8128.7177.7-60.3175-163.3-56.80108.9L26 D30 F48 I131 L132 V133 F160L26-K162 HydrophobicContact CD2-CB 4.38Å; L26-K162 HydrophobicContact CD2-CD 4.49Å; L26-K162 HydrophobicContact CG-CD 4.2Å; L26-K162 HydrophobicContact CG-CG 4.36Å; L26-K162 WeakPolarHBondContact O-CE 3.2Å; L26-K162 PolarHBondContact O-NZ 3.39Å; D30-K162 IonicContact OD1-NZ 3.63Å; D30-K162 PolarHBondContact OD1-NZ 3.35Å; F48-K162 HydrophobicContact CD1-CD 4.29Å; F48-K162 HydrophobicContact CE1-CD 3.92Å; F48-K162 HydrophobicContact CZ-CD 4.42Å; I131-K162 PolarHBondContact O-N 2.72Å; I131-K162 VanDerWaalsContact O-N 3.14Å; L132-K162 HydrophobicContact CD2-CB 4.06Å; V133-K162 PolarHBondContact N-O 2.99Å; F160-K162 HydrophobicContact CD2-CD 3.92Å; F160-K162 HydrophobicContact CD2-CG 3.88Å; F160-K162 HydrophobicContact CE2-CD 4.11Å; F160-K162 HydrophobicContact CE2-CG 4.38Å
163A94.2Very high88.2Confident0 Ų033.2 Ų33.20%016%0.16CC..EExtended strand (participates in β ladder)trans-123.5132.4-170.600000112G31 L32 V33 V133 A136 L185G31-A163 PolarHBondContact O-N 3.04Å; G31-A163 VanDerWaalsContact O-N 3.11Å; L32-A163 HydrophobicContact CD1-CB 3.79Å; V33-A163 PolarHBondContact N-O 3.47Å; V133-A163 HydrophobicContact CB-CB 3.95Å; V133-A163 HydrophobicContact CG1-CB 4.45Å; V133-A163 CarbonylContact O-C 3.42Å; V133-A163 WeakPolarHBondContact O-CA 3.46Å; A136-A163 HydrophobicContact CB-CB 4.13Å; A163-L185 HydrophobicContact CB-CD1 3.76Å; A163-L185 HydrophobicContact CB-CD2 4.05Å
164F94.5Very high87.3Confident0 Ų036 Ų360%019%0.189CC..EExtended strand (participates in β ladder)trans-119.2139.6-176.8-59.2-81.7000111.6L26 V33 L44 L45 F48 L132 V133 Y134 R135 A136L26-F164 HydrophobicContact CD2-CE1 3.48Å; L26-F164 VanDerWaalsContact CD2-CE1 3.48Å; L26-F164 HydrophobicContact CD2-CZ 3.51Å; V33-F164 HydrophobicContact CB-CD1 4.07Å; V33-F164 HydrophobicContact CG1-CD1 4.48Å; V33-F164 HydrophobicContact CG2-CD1 4.29Å; V33-F164 HydrophobicContact CG2-CE1 4.27Å; L44-F164 HydrophobicContact CB-CD1 4.34Å; L44-F164 HydrophobicContact CB-CE1 3.9Å; L44-F164 HydrophobicContact CD1-CD1 4.46Å; L44-F164 HydrophobicContact CD1-CE1 4.41Å; L45-F164 HydrophobicContact CD1-CD2 3.87Å; L45-F164 HydrophobicContact CD1-CE2 4.04Å; F48-F164 HydrophobicContact CD2-CE1 4.41Å; F48-F164 AromaticContact CD2-CZ 3.65Å; F48-F164 HydrophobicContact CD2-CZ 3.65Å; F48-F164 HydrophobicContact CE2-CZ 4.02Å; F48-F164 HydrophobicContact CG-CZ 4.35Å; L132-F164 HydrophobicContact CD2-CE2 4.33Å; V133-F164 PolarHBondContact O-N 3.06Å; Y134-F164 CarbonylContact C-O 3.34Å; Y134-F164 HydrophobicContact CD2-CB 4.41Å; R135-F164 PolarHBondContact N-O 2.88Å; A136-F164 PolarHBondContact N-O 3.47Å; A136-F164 VanDerWaalsContact N-O 3.14Å
165T93.6Very high86.6Confident1 Ų143.5 Ų43.51%0.00622%0.221CC..EExtended strand (participates in β ladder)trans-156.1144.6172.8-175.70000111.8L32 V33 V34 C35 A136 H137 F171L32-T165 HydrophobicContact CD1-CG2 3.95Å; V33-T165 WeakPolarHBondContact O-CG2 3.46Å; V33-T165 PolarHBondContact O-N 2.78Å; V34-T165 WeakPolarHBondContact CA-O 3.31Å; V34-T165 HydrophobicContact CB-CG2 4.29Å; V34-T165 HydrophobicContact CG1-CG2 4.3Å; V34-T165 HydrophobicContact CG2-CG2 3.89Å; C35-T165 PolarHBondContact N-O 2.79Å; A136-T165 HydrophobicContact CB-CG2 4.48Å; H137-T165 PolarHBondContact ND1-OG1 3.03Å; T165-F171 HydrophobicContact CG2-CE2 3.61Å; T165-F171 HydrophobicContact CG2-CZ 3.86Å
166D89.9Confident86.2Confident41 Ų4143 Ų4322%0.21922%0.224CC..SBendtrans-99.5-21.7178.969.9-48.8000112.6C35 R37 H137 A168C35-D166 CarbonylContact O-C 3.52Å; C35-D166 WeakPolarHBondContact O-CA 2.91Å; R37-D166 WeakPolarHBondContact CG-O 3.38Å; R37-D166 PolarHBondContact N-O 3.31Å; H137-D166 IonicContact CE1-OD1 3.68Å; D166-A168 PolarHBondContact O-N 2.86Å
167N89.4Confident86.1Confident27 Ų2743.4 Ų43.414%0.14423%0.226CC..  trans-98.777-165.6-175.417.3000112.5R37 H137 V169 A170R37-N167 PolarHBondContact NH2-OD1 3.42Å; H137-N167 PolarHBondContact CD2-ND2 3.1Å; H137-N167 PolarHBondContact NE2-ND2 3.06Å; N167-V169 VanDerWaalsContact C-N 3.27Å; N167-V169 PolarHBondContact O-N 3.33Å; N167-A170 WeakPolarHBondContact ND2-CB 3.47Å; N167-A170 PolarHBondContact O-N 3.36Å
168A89.6Confident86.3Confident1 Ų141 Ų411%0.00822%0.216CC..G310 helixtrans-57.5-35.6177.200000113.9V34 D166 A170 F171 F630 L633V34-A168 HydrophobicContact CG1-CB 4.01Å; D166-A168 PolarHBondContact O-N 2.86Å; A168-A170 PolarHBondContact O-N 3.44Å; A168-F171 PolarHBondContact O-N 3.14Å; A168-F630 HydrophobicContact CB-CD1 4.4Å; A168-F630 HydrophobicContact CB-CD2 3.93Å; A168-F630 HydrophobicContact CB-CE1 4.02Å; A168-F630 HydrophobicContact CB-CE2 3.5Å; A168-F630 HydrophobicContact CB-CG 4.35Å; A168-F630 HydrophobicContact CB-CZ 3.55Å; A168-L633 HydrophobicContact CB-CD1 3.98Å
169V88.1Confident86.3Confident43 Ų4332.5 Ų32.526%0.26119%0.186SC..G310 helixtrans-62.2-26.9-176.3-178.10000112.8N167 F171 D172 E626 A629N167-V169 VanDerWaalsContact C-N 3.27Å; N167-V169 PolarHBondContact O-N 3.33Å; V169-F171 PolarHBondContact O-N 3.33Å; V169-D172 PolarHBondContact O-N 3.27Å; V169-E626 HydrophobicContact CG2-CB 4.33Å; V169-A629 HydrophobicContact CG2-CB 4.49Å
170A85.8Confident86.3Confident22 Ų2236.4 Ų36.418%0.18220%0.2CC..G310 helixtrans-75.2-9.4176.500000114.2H137 N167 A168 T173H137-A170 HydrophobicContact CB-CB 3.9Å; N167-A170 WeakPolarHBondContact ND2-CB 3.47Å; N167-A170 PolarHBondContact O-N 3.36Å; A168-A170 PolarHBondContact O-N 3.44Å; A170-T173 PolarHBondContact O-OG1 2.86Å; A170-T173 VanDerWaalsContact O-OG1 3.07Å
171F85.8Confident86.1Confident4 Ų435.1 Ų35.12%0.01820%0.195CC..G310 helixtrans-92.6-18.3171.9-66.7-84.1000113L32 V34 H137 T165 A168 V169 T173 V178 V181 L633L32-F171 HydrophobicContact CD2-CE1 4.18Å; L32-F171 HydrophobicContact CD2-CZ 4.21Å; V34-F171 HydrophobicContact CG2-CE2 4.43Å; H137-F171 HydrophobicContact CB-CD2 4.35Å; H137-F171 HydrophobicContact CB-CE2 3.63Å; H137-F171 HydrophobicContact CB-CZ 3.82Å; T165-F171 HydrophobicContact CG2-CE2 3.61Å; T165-F171 HydrophobicContact CG2-CZ 3.86Å; A168-F171 PolarHBondContact O-N 3.14Å; V169-F171 PolarHBondContact O-N 3.33Å; F171-T173 VanDerWaalsContact C-N 3.26Å; F171-V178 HydrophobicContact CB-CG2 3.84Å; F171-V178 HydrophobicContact CD1-CG2 3.94Å; F171-V178 HydrophobicContact CG-CG2 4.21Å; F171-V181 HydrophobicContact CD1-CG2 4.4Å; F171-V181 HydrophobicContact CE1-CB 4.11Å; F171-V181 HydrophobicContact CE1-CG1 4.16Å; F171-V181 HydrophobicContact CE1-CG2 3.91Å; F171-L633 HydrophobicContact CB-CD2 3.83Å
172D82.6Confident85.9Confident46 Ų4635.1 Ų35.125%0.24620%0.195CC..SBendtrans-75.4-16.7175-165.726.3000112.3V169 G174 A629 K632V169-D172 PolarHBondContact O-N 3.27Å; D172-G174 PolarHBondContact O-N 3.37Å; D172-A629 HydrophobicContact CB-CB 4Å; D172-K632 WeakPolarHBondContact OD1-CD 3.42Å; D172-K632 WeakPolarHBondContact OD1-CE 3.41Å; D172-K632 IonicContact OD1-NZ 3.35Å; D172-K632 PolarHBondContact OD1-NZ 3.26Å; D172-K632 IonicContact OD2-NZ 3.16Å; D172-K632 PolarHBondContact OD2-NZ 2.95Å
173T76.3Confident85.5Confident86 Ų8639.8 Ų39.853%0.52821%0.212SC..SBendtrans-82.796.7179.153.10000111.7A170 F171 H177A170-T173 PolarHBondContact O-OG1 2.86Å; A170-T173 VanDerWaalsContact O-OG1 3.07Å; F171-T173 VanDerWaalsContact C-N 3.26Å; T173-H177 PolarHBondContact O-CD2 3.5Å
174G69.3Low85.2Confident58 Ų5840.3 Ų40.360%0.59822%0.215SC*.SBendtrans105.7162.5169.400000114.9D172 C176D172-G174 PolarHBondContact O-N 3.37Å; G174-C176 PolarHBondContact O-N 2.96Å
175F69.9Low84.9Confident193 Ų19340.3 Ų40.385%0.84622%0.215SC*.THydrogen-bonded Turntrans-66.4124.7-173-172.7-96.6000112.8H177F175-H177 PolarHBondContact O-N 2.93Å; F175-H177 VanDerWaalsContact O-N 3.13Å
176C76.7Confident84.8Confident47 Ų4740.7 Ų40.732%0.31822%0.217SC..THydrogen-bonded Turntrans46.140.5177.3-57.20000114G174 V178 E179 R180G174-C176 PolarHBondContact O-N 2.96Å; C176-V178 VanDerWaalsContact C-N 3.3Å; C176-V178 PolarHBondContact O-N 3.25Å; C176-E179 PolarHBondContact O-N 3.28Å; C176-R180 PolarHBondContact O-N 3.12Å
177H84.4Confident84.7Confident16 Ų1638.8 Ų38.87%0.07421%0.206CC..Hα-helixtrans-63.3-37.4-173-167.3-6.2000111.8T173 F175 E179 R180 V181T173-H177 PolarHBondContact O-CD2 3.5Å; F175-H177 PolarHBondContact O-N 2.93Å; F175-H177 VanDerWaalsContact O-N 3.13Å; H177-E179 PolarHBondContact O-N 3.12Å; H177-R180 WeakPolarHBondContact O-CB 3.37Å; H177-R180 PolarHBondContact O-N 3.11Å; H177-V181 VanDerWaalsContact CE1-CG2 3.42Å; H177-V181 WeakPolarHBondContact CE1-CG2 3.23Å; H177-V181 WeakPolarHBondContact ND1-CG2 3.41Å; H177-V181 WeakPolarHBondContact O-CG2 3.1Å; H177-V181 PolarHBondContact O-N 3.46Å
178V87.9Confident84.6Confident2 Ų240.8 Ų40.81%0.01221%0.212CC..Hα-helixtrans-58.2-50.7180-177.40000111.3F171 C176 R180 V181 M182 L190 L633 E636F171-V178 HydrophobicContact CB-CG2 3.84Å; F171-V178 HydrophobicContact CD1-CG2 3.94Å; F171-V178 HydrophobicContact CG-CG2 4.21Å; C176-V178 VanDerWaalsContact C-N 3.3Å; C176-V178 PolarHBondContact O-N 3.25Å; V178-R180 VanDerWaalsContact C-N 3.26Å; V178-R180 PolarHBondContact O-N 3.33Å; V178-V181 PolarHBondContact O-N 3.29Å; V178-V181 VanDerWaalsContact O-N 3.12Å; V178-M182 HydrophobicContact CG1-CG 4.38Å; V178-M182 HydrophobicContact CG1-SD 4.02Å; V178-M182 WeakPolarHBondContact O-CG 3.35Å; V178-M182 PolarHBondContact O-N 3.22Å; V178-L190 HydrophobicContact CG1-CD1 4.2Å; V178-L190 HydrophobicContact CG1-CD2 3.75Å; V178-L633 HydrophobicContact CG2-CD2 3.24Å; V178-E636 WeakPolarHBondContact CG2-OE2 3.48Å
179E86Confident84.6Confident59 Ų5945.8 Ų45.828%0.27623%0.233SC..Hα-helixtrans-58.6-41.8179.8-58.6-163.2156.900111.2C176 H177 V181 M182 R183 M640 R646C176-E179 PolarHBondContact O-N 3.28Å; H177-E179 PolarHBondContact O-N 3.12Å; E179-V181 PolarHBondContact O-N 3.04Å; E179-M182 PolarHBondContact O-N 2.98Å; E179-R183 PolarHBondContact O-N 2.9Å; E179-M640 HydrophobicContact CG-CG 4.17Å; E179-M640 HydrophobicContact CG-SD 3.97Å; E179-M640 WeakPolarHBondContact OE1-CG 3.41Å; E179-R646 PolarHBondContact O-NH2 3.14Å
180R87Confident84.8Confident84 Ų8444 Ų4432%0.31722%0.222SC..Hα-helixtrans-63.4-40.3177.3-167.2168.468.6136-7.8112.4E141 C176 H177 V178 R183 N184E141-R180 HydrophobicContact CG-CG 3.97Å; E141-R180 WeakPolarHBondContact OE1-CG 3.38Å; E141-R180 WeakPolarHBondContact OE2-CD 3.39Å; E141-R180 IonicContact OE2-NH1 2.74Å; E141-R180 PolarHBondContact OE2-NH1 2.86Å; C176-R180 PolarHBondContact O-N 3.12Å; H177-R180 WeakPolarHBondContact O-CB 3.37Å; H177-R180 PolarHBondContact O-N 3.11Å; V178-R180 VanDerWaalsContact C-N 3.26Å; V178-R180 PolarHBondContact O-N 3.33Å; R180-R183 PolarHBondContact O-N 2.84Å; R180-N184 PolarHBondContact O-N 3.29Å; R180-N184 PolarHBondContact O-ND2 3.38Å
181V89.4Confident85.2Confident1 Ų144.3 Ų44.31%0.00622%0.219CC..Hα-helixtrans-66-45.7173-178.80000110.8L32 F171 H177 V178 E179 R183 N184 L185L32-V181 HydrophobicContact CD2-CG1 4.47Å; F171-V181 HydrophobicContact CD1-CG2 4.4Å; F171-V181 HydrophobicContact CE1-CB 4.11Å; F171-V181 HydrophobicContact CE1-CG1 4.16Å; F171-V181 HydrophobicContact CE1-CG2 3.91Å; H177-V181 VanDerWaalsContact CE1-CG2 3.42Å; H177-V181 WeakPolarHBondContact CE1-CG2 3.23Å; H177-V181 WeakPolarHBondContact ND1-CG2 3.41Å; H177-V181 WeakPolarHBondContact O-CG2 3.1Å; H177-V181 PolarHBondContact O-N 3.46Å; V178-V181 PolarHBondContact O-N 3.29Å; V178-V181 VanDerWaalsContact O-N 3.12Å; E179-V181 PolarHBondContact O-N 3.04Å; V181-R183 VanDerWaalsContact C-N 3.26Å; V181-R183 PolarHBondContact O-N 3.02Å; V181-N184 PolarHBondContact O-N 3.33Å; V181-N184 VanDerWaalsContact O-N 3.11Å; V181-L185 HydrophobicContact CG1-CD1 3.75Å; V181-L185 HydrophobicContact CG1-CG 4.09Å; V181-L185 WeakPolarHBondContact O-CB 2.98Å; V181-L185 WeakPolarHBondContact O-CG 3.42Å; V181-L185 PolarHBondContact O-N 2.9Å
182M88.7Confident85.6Confident0 Ų045.1 Ų45.10%022%0.223CC..Hα-helixtrans-62-31.2178.5-71.6-178.265.600113.3L32 V178 E179 F186 V187 R188 L190 M640L32-M182 HydrophobicContact CD2-CG 4.15Å; V178-M182 HydrophobicContact CG1-CG 4.38Å; V178-M182 HydrophobicContact CG1-SD 4.02Å; V178-M182 WeakPolarHBondContact O-CG 3.35Å; V178-M182 PolarHBondContact O-N 3.22Å; E179-M182 PolarHBondContact O-N 2.98Å; M182-F186 PolarHBondContact O-N 3.19Å; M182-V187 HydrophobicContact CB-CG2 4.38Å; M182-V187 HydrophobicContact CE-CG2 4.49Å; M182-V187 HydrophobicContact CG-CG2 4.33Å; M182-V187 PolarHBondContact O-N 2.63Å; M182-R188 WeakPolarHBondContact CE-O 3.15Å; M182-L190 HydrophobicContact CE-CB 4.02Å; M182-L190 HydrophobicContact SD-CB 3.84Å; M182-L190 HydrophobicContact SD-CD1 4.21Å; M182-L190 HydrophobicContact SD-CD2 4.27Å; M182-L190 HydrophobicContact SD-CG 4.33Å; M182-M640 HydrophobicContact CE-CE 3.95Å; M182-M640 HydrophobicContact CE-SD 4.28Å; M182-M640 HydrophobicContact SD-CE 3.84Å; M182-M640 HydrophobicContact SD-SD 3.83Å
183R87.2Confident86.1Confident104 Ų10443.4 Ų43.439%0.39221%0.213SC..Hα-helixtrans-64.2-51.4169.9179.7167.866.7-167.32.3111.3E141 E179 R180 V181 L185 F186 D655E141-R183 IonicContact OE1-CZ 2.78Å; E141-R183 IonicContact OE1-NE 3.23Å; E141-R183 IonicContact OE1-NH2 2.79Å; E141-R183 PolarHBondContact OE1-NH2 3.02Å; E179-R183 PolarHBondContact O-N 2.9Å; R180-R183 PolarHBondContact O-N 2.84Å; V181-R183 VanDerWaalsContact C-N 3.26Å; V181-R183 PolarHBondContact O-N 3.02Å; R183-L185 PolarHBondContact O-N 2.96Å; R183-F186 PolarHBondContact O-N 3.32Å; R183-F186 VanDerWaalsContact O-N 3.11Å; R183-D655 WeakPolarHBondContact CD-OD2 3.45Å
184N87.9Confident86.9Confident12 Ų1239.5 Ų39.56%0.06419%0.189CC..Hα-helixtrans-63.6-27.4178.2-68.9-48.7000114I139 E141 A146 R180 V181 F186I139-N184 HydrophobicContact CG2-CB 4.05Å; E141-N184 WeakPolarHBondContact CG-ND2 3.41Å; E141-N184 WeakPolarHBondContact CG-OD1 3.46Å; E141-N184 PolarHBondContact N-ND2 3.5Å; A146-N184 HydrophobicContact CB-CB 4.08Å; R180-N184 PolarHBondContact O-N 3.29Å; R180-N184 PolarHBondContact O-ND2 3.38Å; V181-N184 PolarHBondContact O-N 3.33Å; V181-N184 VanDerWaalsContact O-N 3.11Å; N184-F186 WeakPolarHBondContact O-CD2 3.43Å
185L88.6Confident87.9Confident0 Ų038.9 Ų38.90%017%0.169CC..THydrogen-bonded Turntrans-80.6-14.3176.5-72.9176.1000113.8L32 V133 A136 I139 L149 I161 A163 V181 R183 V187L32-L185 HydrophobicContact CB-CD1 4.23Å; L32-L185 HydrophobicContact CD1-CD1 4.06Å; L32-L185 HydrophobicContact CD2-CD1 4.15Å; L32-L185 HydrophobicContact CG-CD1 4.38Å; V133-L185 HydrophobicContact CB-CD2 4.4Å; V133-L185 HydrophobicContact CG1-CD2 4.05Å; V133-L185 HydrophobicContact CG2-CD2 4.24Å; A136-L185 HydrophobicContact CB-CD1 4.46Å; I139-L185 HydrophobicContact CD1-CD2 3.9Å; L149-L185 HydrophobicContact CD1-CD2 3.83Å; I161-L185 WeakPolarHBondContact CD1-O 3.42Å; A163-L185 HydrophobicContact CB-CD1 3.76Å; A163-L185 HydrophobicContact CB-CD2 4.05Å; V181-L185 HydrophobicContact CG1-CD1 3.75Å; V181-L185 HydrophobicContact CG1-CG 4.09Å; V181-L185 WeakPolarHBondContact O-CB 2.98Å; V181-L185 WeakPolarHBondContact O-CG 3.42Å; V181-L185 PolarHBondContact O-N 2.9Å; R183-L185 PolarHBondContact O-N 2.96Å; L185-V187 VanDerWaalsContact C-N 3.31Å; L185-V187 HydrophobicContact CB-CG1 4.23Å; L185-V187 HydrophobicContact CB-CG2 3.8Å; L185-V187 HydrophobicContact CD1-CG2 4.28Å; L185-V187 PolarHBondContact O-N 2.92Å
186F89.6Confident88.9Confident9 Ų934.3 Ų34.34%0.03915%0.149CC..THydrogen-bonded Turntrans52.144.9-171.8-56.7-85.5000113.5L149 R150 R153 I161 M182 R183 N184 R646 L656L149-F186 HydrophobicContact CB-CD2 4.33Å; L149-F186 HydrophobicContact CB-CE2 4.45Å; R150-F186 HydrophobicContact CB-CE2 4.25Å; R150-F186 HydrophobicContact CB-CZ 4.33Å; R150-F186 HydrophobicContact CG-CZ 4.28Å; R153-F186 HydrophobicContact CB-CD2 4.48Å; R153-F186 HydrophobicContact CG-CD1 4.41Å; R153-F186 HydrophobicContact CG-CG 4.34Å; I161-F186 HydrophobicContact CD1-CB 4.28Å; M182-F186 PolarHBondContact O-N 3.19Å; R183-F186 PolarHBondContact O-N 3.32Å; R183-F186 VanDerWaalsContact O-N 3.11Å; N184-F186 WeakPolarHBondContact O-CD2 3.43Å; F186-R646 WeakPolarHBondContact CA-O 3.48Å; F186-L656 HydrophobicContact CE1-CD2 3.71Å; F186-L656 HydrophobicContact CE1-CG 4.29Å; F186-L656 HydrophobicContact CZ-CD2 3.74Å
187V89.3Confident89.6Confident0 Ų034.9 Ų34.90%015%0.147CC..  trans-121.1144.1179.3-62.50000112.4L32 I161 M182 L185L32-V187 HydrophobicContact CB-CG2 4.33Å; I161-V187 HydrophobicContact CB-CG1 4.22Å; I161-V187 HydrophobicContact CG2-CG1 4.13Å; M182-V187 HydrophobicContact CB-CG2 4.38Å; M182-V187 HydrophobicContact CE-CG2 4.49Å; M182-V187 HydrophobicContact CG-CG2 4.33Å; M182-V187 PolarHBondContact O-N 2.63Å; L185-V187 VanDerWaalsContact C-N 3.31Å; L185-V187 HydrophobicContact CB-CG1 4.23Å; L185-V187 HydrophobicContact CB-CG2 3.8Å; L185-V187 HydrophobicContact CD1-CG2 4.28Å; L185-V187 PolarHBondContact O-N 2.92Å
188R86.9Confident90Very high69 Ų6939.7 Ų39.726%0.2618%0.177SC..  trans-91.5-36.8-180-66-175.2-173.2134.2-11.5114.3M182 V642 E644 E647M182-R188 WeakPolarHBondContact CE-O 3.15Å; R188-V642 HydrophobicContact CB-CG1 4.24Å; R188-V642 HydrophobicContact CG-CG1 4.34Å; R188-E644 PolarHBondContact NE-O 3.06Å; R188-E644 PolarHBondContact NH2-O 3.23Å; R188-E647 WeakPolarHBondContact CD-OE1 3.49Å; R188-E647 HydrophobicContact CG-CB 4.2Å; R188-E647 HydrophobicContact CG-CG 4.2Å; R188-E647 WeakPolarHBondContact CG-OE1 3.33Å; R188-E647 IonicContact CZ-OE1 2.81Å; R188-E647 VanDerWaalsContact CZ-OE1 3.25Å; R188-E647 IonicContact CZ-OE2 3.51Å; R188-E647 IonicContact NE-OE1 3.83Å; R188-E647 PolarHBondContact NE-OE1 2.92Å; R188-E647 IonicContact NH1-OE1 3.34Å; R188-E647 PolarHBondContact NH1-OE1 3.34Å; R188-E647 IonicContact NH1-OE2 3.47Å; R188-E647 PolarHBondContact NH1-OE2 2.65Å; R188-E647 IonicContact NH2-OE2 3.63Å
189K90.3Very high90.1Very high107 Ų10741.2 Ų41.247%0.46519%0.19SC..EExtended strand (participates in β ladder)trans-98.3148.8-173.8-58.7-61.8-175.3-1790113T29 D30 G31 L32 Y191T29-K189 HydrophobicContact CG2-CB 4.41Å; T29-K189 HydrophobicContact CG2-CD 4.37Å; T29-K189 HydrophobicContact CG2-CG 3.38Å; D30-K189 PolarHBondContact O-N 3.09Å; G31-K189 CarbonylContact C-O 3.29Å; G31-K189 WeakPolarHBondContact CA-O 3.49Å; L32-K189 PolarHBondContact N-O 3.47Å; K189-Y191 HydrophobicContact CB-CD2 4.41Å; K189-Y191 HydrophobicContact CB-CE2 3.73Å
190L92.4Very high90.3Very high4 Ų438.4 Ų38.42%0.02118%0.177CC..EExtended strand (participates in β ladder)trans-123.9118.1173.4179.665.2000108.8L32 V34 V178 M182 L192 K637 M640L32-L190 HydrophobicContact CB-CD1 4.13Å; L32-L190 HydrophobicContact CD2-CD1 3.96Å; L32-L190 HydrophobicContact CG-CD1 3.99Å; V34-L190 HydrophobicContact CG2-CD1 3.99Å; V178-L190 HydrophobicContact CG1-CD1 4.2Å; V178-L190 HydrophobicContact CG1-CD2 3.75Å; M182-L190 HydrophobicContact CE-CB 4.02Å; M182-L190 HydrophobicContact SD-CB 3.84Å; M182-L190 HydrophobicContact SD-CD1 4.21Å; M182-L190 HydrophobicContact SD-CD2 4.27Å; M182-L190 HydrophobicContact SD-CG 4.33Å; L190-L192 HydrophobicContact CD1-CD2 3.97Å; L190-L192 HydrophobicContact CD2-CD1 4.49Å; L190-L192 HydrophobicContact CD2-CD2 4.07Å; L190-L192 HydrophobicContact CD2-CG 4.33Å; L190-L192 HydrophobicContact CG-CD2 3.84Å; L190-L192 HydrophobicContact CG-CG 4.13Å; L190-K637 HydrophobicContact CD2-CB 4.13Å; L190-K637 HydrophobicContact CD2-CD 4.5Å; L190-K637 HydrophobicContact CD2-CG 4.4Å; L190-K637 WeakPolarHBondContact O-CE 3.36Å; L190-K637 PolarHBondContact O-NZ 3.32Å; L190-M640 HydrophobicContact CB-CE 4.26Å; L190-M640 HydrophobicContact CD2-CE 4.32Å
191Y93.1Very high90.6Very high30 Ų3036.7 Ų36.712%0.11817%0.174CC..EExtended strand (participates in β ladder)trans-107.1110.4179.5-60.2-79.4000108.9E25 L26 T29 L32 V33 V34 K189E25-Y191 HydrophobicContact CB-CD1 4.39Å; E25-Y191 HydrophobicContact CB-CE1 3.82Å; E25-Y191 PolarHBondContact O-OH 2.99Å; E25-Y191 WeakPolarHBondContact OE2-CD1 3.18Å; L26-Y191 HydrophobicContact CD1-CD2 3.81Å; L26-Y191 HydrophobicContact CD1-CE2 3.66Å; T29-Y191 PolarHBondContact O-OH 3.41Å; L32-Y191 PolarHBondContact O-N 3.44Å; V33-Y191 WeakPolarHBondContact CA-O 3.43Å; V33-Y191 HydrophobicContact CG2-CD2 4.27Å; V34-Y191 PolarHBondContact N-O 2.93Å; K189-Y191 HydrophobicContact CB-CD2 4.41Å; K189-Y191 HydrophobicContact CB-CE2 3.73Å
192L93.3Very high90.7Very high21 Ų2140.1 Ų40.111%0.1120%0.198CC..EExtended strand (participates in β ladder)trans-103.2116.7-179-59.2-179.5000109.4V34 L190 P194 L633 I634 K637V34-L192 HydrophobicContact CB-CD2 3.79Å; V34-L192 HydrophobicContact CG2-CD2 3.91Å; L190-L192 HydrophobicContact CD1-CD2 3.97Å; L190-L192 HydrophobicContact CD2-CD1 4.49Å; L190-L192 HydrophobicContact CD2-CD2 4.07Å; L190-L192 HydrophobicContact CD2-CG 4.33Å; L190-L192 HydrophobicContact CG-CD2 3.84Å; L190-L192 HydrophobicContact CG-CG 4.13Å; L192-P194 VanDerWaalsContact C-CD 3.42Å; L192-P194 VanDerWaalsContact O-CD 3.3Å; L192-P194 WeakPolarHBondContact O-CD 3.14Å; L192-L633 VanDerWaalsContact CD1-C 3.5Å; L192-L633 HydrophobicContact CD1-CB 3.81Å; L192-L633 WeakPolarHBondContact CD1-O 3.15Å; L192-L633 HydrophobicContact CD2-CB 4.28Å; L192-L633 HydrophobicContact CD2-CD1 4.5Å; L192-I634 HydrophobicContact CD1-CB 4.47Å; L192-I634 HydrophobicContact CD1-CG1 3.83Å; L192-K637 HydrophobicContact CD1-CB 4.08Å; L192-K637 HydrophobicContact CD1-CD 3.73Å; L192-K637 HydrophobicContact CG-CD 3.96Å
193W93.2Very high90.7Very high9 Ų941.1 Ų41.13%0.03420%0.202CC..EExtended strand (participates in β ladder)trans-121.674.8-178.8-78.782.3000111Y18 Q21 L22 V34 A36 L39 H197 A199 V200Y18-W193 HydrophobicContact CD2-CE3 4.27Å; Y18-W193 HydrophobicContact CD2-CZ3 4.26Å; Q21-W193 HydrophobicContact CB-CH2 4.41Å; Q21-W193 HydrophobicContact CG-CH2 4.36Å; Q21-W193 HydrophobicContact CG-CZ2 4.38Å; L22-W193 HydrophobicContact CB-CZ2 4.26Å; L22-W193 HydrophobicContact CD2-CB 4.49Å; L22-W193 HydrophobicContact CD2-CD2 4.21Å; L22-W193 HydrophobicContact CD2-CG 3.92Å; V34-W193 PolarHBondContact O-N 3.32Å; A36-W193 PolarHBondContact N-O 3.46Å; A36-W193 VanDerWaalsContact N-O 3.09Å; L39-W193 WeakPolarHBondContact CD2-O 3.46Å; W193-H197 AromaticContact CE3-ND1 3.36Å; W193-H197 AromaticContact CH2-CE1 3.62Å; W193-H197 AromaticContact CH2-ND1 3.66Å; W193-H197 AromaticContact CZ3-CE1 3.62Å; W193-H197 AromaticContact CZ3-ND1 3.14Å; W193-H197 WeakPolarHBondContact CZ3-ND1 3.43Å; W193-A199 HydrophobicContact CZ3-CB 4.36Å; W193-V200 HydrophobicContact CE3-CG2 3.44Å; W193-V200 VanDerWaalsContact CE3-CG2 3.44Å; W193-V200 HydrophobicContact CZ3-CG2 3.67Å
194P93Very high90.7Very high4 Ų436.4 Ų36.43%0.02619%0.185CC..  trans-71.7155.9173.529.8-35000112L192 F196 H197 F630 I634L192-P194 VanDerWaalsContact C-CD 3.42Å; L192-P194 VanDerWaalsContact O-CD 3.3Å; L192-P194 WeakPolarHBondContact O-CD 3.14Å; P194-F196 HydrophobicContact CB-CD1 3.87Å; P194-F196 HydrophobicContact CB-CD2 4.48Å; P194-F196 HydrophobicContact CB-CE1 3.67Å; P194-F196 HydrophobicContact CB-CE2 4.31Å; P194-F196 HydrophobicContact CB-CG 4.27Å; P194-F196 HydrophobicContact CB-CZ 3.91Å; P194-F196 HydrophobicContact CG-CD1 4.5Å; P194-F196 HydrophobicContact CG-CD2 4.25Å; P194-F196 HydrophobicContact CG-CE1 4.26Å; P194-F196 HydrophobicContact CG-CE2 4Å; P194-F196 HydrophobicContact CG-CG 4.49Å; P194-F196 HydrophobicContact CG-CZ 4.01Å; P194-F196 PolarHBondContact O-N 3.01Å; P194-F196 VanDerWaalsContact O-N 3.09Å; P194-H197 HydrophobicContact CG-CB 4.11Å; P194-H197 VanDerWaalsContact O-CB 3.25Å; P194-H197 WeakPolarHBondContact O-CB 3.42Å; P194-H197 PolarHBondContact O-N 3.1Å; P194-F630 HydrophobicContact CB-CB 4.17Å; P194-F630 HydrophobicContact CB-CD1 3.81Å; P194-F630 HydrophobicContact CB-CD2 4.01Å; P194-F630 HydrophobicContact CB-CE1 4.14Å; P194-F630 HydrophobicContact CB-CE2 4.34Å; P194-F630 HydrophobicContact CB-CG 3.74Å; P194-F630 HydrophobicContact CB-CZ 4.4Å; P194-F630 HydrophobicContact CG-CD1 4.37Å; P194-I634 HydrophobicContact CG-CD1 4.46Å
195R90.4Very high90.7Very high46 Ų4640.4 Ų40.417%0.17420%0.203CC..THydrogen-bonded Turntrans-59.6-20.9175.6176.458.2-17380.5-0.8113.8A36 N201 E592A36-R195 HydrophobicContact CB-CB 4.25Å; R195-N201 PolarHBondContact NH1-OD1 3Å; R195-E592 IonicContact CZ-OE1 3.65Å; R195-E592 IonicContact CZ-OE2 3.12Å; R195-E592 IonicContact NE-OE1 2.75Å; R195-E592 PolarHBondContact NE-OE1 3.49Å; R195-E592 IonicContact NE-OE2 2.91Å; R195-E592 PolarHBondContact NE-OE2 3.41Å; R195-E592 IonicContact NH2-OE1 3.74Å; R195-E592 PolarHBondContact NH2-OE1 3.21Å; R195-E592 IonicContact NH2-OE2 2.69Å
196F90.6Very high90.7Very high96 Ų9646 Ų4642%0.42123%0.229SC..THydrogen-bonded Turntrans-93.86.9175.364.5-99.8000114.2P194 K627 F630 E631 I634P194-F196 HydrophobicContact CB-CD1 3.87Å; P194-F196 HydrophobicContact CB-CD2 4.48Å; P194-F196 HydrophobicContact CB-CE1 3.67Å; P194-F196 HydrophobicContact CB-CE2 4.31Å; P194-F196 HydrophobicContact CB-CG 4.27Å; P194-F196 HydrophobicContact CB-CZ 3.91Å; P194-F196 HydrophobicContact CG-CD1 4.5Å; P194-F196 HydrophobicContact CG-CD2 4.25Å; P194-F196 HydrophobicContact CG-CE1 4.26Å; P194-F196 HydrophobicContact CG-CE2 4Å; P194-F196 HydrophobicContact CG-CG 4.49Å; P194-F196 HydrophobicContact CG-CZ 4.01Å; P194-F196 PolarHBondContact O-N 3.01Å; P194-F196 VanDerWaalsContact O-N 3.09Å; F196-K627 HydrophobicContact CE1-CG 4.35Å; F196-F630 HydrophobicContact CE1-CB 3.97Å; F196-F630 HydrophobicContact CZ-CB 4.02Å; F196-E631 HydrophobicContact CZ-CG 4.27Å; F196-I634 HydrophobicContact CE2-CD1 4.08Å; F196-I634 HydrophobicContact CZ-CD1 4.08Å
197H92.3Very high90.5Very high59 Ų5948 Ų4827%0.27324%0.239SC..  trans-62140.3173.8-177.4-133.2000110.8W193 P194 A199 V200 N201W193-H197 AromaticContact CE3-ND1 3.36Å; W193-H197 AromaticContact CH2-CE1 3.62Å; W193-H197 AromaticContact CH2-ND1 3.66Å; W193-H197 AromaticContact CZ3-CE1 3.62Å; W193-H197 AromaticContact CZ3-ND1 3.14Å; W193-H197 WeakPolarHBondContact CZ3-ND1 3.43Å; P194-H197 HydrophobicContact CG-CB 4.11Å; P194-H197 VanDerWaalsContact O-CB 3.25Å; P194-H197 WeakPolarHBondContact O-CB 3.42Å; P194-H197 PolarHBondContact O-N 3.1Å; H197-A199 PolarHBondContact O-N 2.9Å; H197-V200 HydrophobicContact CB-CB 4.22Å; H197-V200 HydrophobicContact CB-CG2 3.94Å; H197-V200 PolarHBondContact O-N 3.31Å; H197-V200 VanDerWaalsContact O-N 3.1Å; H197-N201 PolarHBondContact O-N 2.76Å
198V92.8Very high90.3Very high117 Ų11752.9 Ų52.971%0.70926%0.26SS*.Hα-helixtrans-56.3-48-170.2-176.80000112.1S202V198-S202 VanDerWaalsContact O-CB 3.26Å; V198-S202 WeakPolarHBondContact O-CB 3.49Å; V198-S202 PolarHBondContact O-N 3.44Å
199A90.3Very high90.3Very high34 Ų3450.7 Ų50.728%0.28125%0.254SS..Hα-helixtrans-66.3-39.7178.600000112.8W193 H197 F203W193-A199 HydrophobicContact CZ3-CB 4.36Å; H197-A199 PolarHBondContact O-N 2.9Å; A199-F203 WeakPolarHBondContact O-CB 3.33Å; A199-F203 PolarHBondContact O-N 3.3Å; A199-F203 VanDerWaalsContact O-N 3.12Å
200V90.4Very high90.2Very high0 Ų049.6 Ų49.60%025%0.251CS..Hα-helixtrans-63.7-48.3177.6176.50000110.4Y18 L39 W193 H197 L204Y18-V200 HydrophobicContact CD2-CG2 3.99Å; Y18-V200 HydrophobicContact CG-CG2 4.17Å; L39-V200 HydrophobicContact CD1-CG1 3.86Å; L39-V200 HydrophobicContact CD2-CG1 4.19Å; L39-V200 HydrophobicContact CD2-CG2 4.44Å; W193-V200 HydrophobicContact CE3-CG2 3.44Å; W193-V200 VanDerWaalsContact CE3-CG2 3.44Å; W193-V200 HydrophobicContact CZ3-CG2 3.67Å; H197-V200 HydrophobicContact CB-CB 4.22Å; H197-V200 HydrophobicContact CB-CG2 3.94Å; H197-V200 PolarHBondContact O-N 3.31Å; H197-V200 VanDerWaalsContact O-N 3.1Å; V200-L204 HydrophobicContact CG1-CD1 3.78Å; V200-L204 HydrophobicContact CG1-CG 4.47Å; V200-L204 WeakPolarHBondContact O-CB 3.48Å; V200-L204 WeakPolarHBondContact O-CG 3.3Å; V200-L204 PolarHBondContact O-N 3.37Å
201N92.5Very high90Very high48 Ų4852.7 Ų52.726%0.25727%0.27SS..Hα-helixtrans-64.6-54.1179-157.463.9000109.9R195 H197 F203 L204 E205R195-N201 PolarHBondContact NH1-OD1 3Å; H197-N201 PolarHBondContact O-N 2.76Å; N201-F203 PolarHBondContact O-N 3.12Å; N201-L204 PolarHBondContact O-N 3.08Å; N201-E205 WeakPolarHBondContact ND2-CG 3.46Å; N201-E205 PolarHBondContact ND2-OE1 2.92Å; N201-E205 PolarHBondContact ND2-OE2 2.7Å; N201-E205 WeakPolarHBondContact O-CB 3.42Å; N201-E205 WeakPolarHBondContact O-CG 3.4Å; N201-E205 PolarHBondContact O-N 2.77Å
202S91.4Very high90Very high73 Ų7353.8 Ų53.851%0.5128%0.28SS..Hα-helixtrans-57.9-22.6-177.6-169.30000114.8V198 Q206V198-S202 VanDerWaalsContact O-CB 3.26Å; V198-S202 WeakPolarHBondContact O-CB 3.49Å; V198-S202 PolarHBondContact O-N 3.44Å; S202-Q206 PolarHBondContact O-NE2 2.88Å; S202-Q206 VanDerWaalsContact O-NE2 3.11Å
203F89.4Confident89.9Confident21 Ų2158.5 Ų58.59%0.09230%0.301CS..Hα-helixtrans-83.5-51171-175.5-96.4000112.1L16 E17 Y18 A199 N201 E205 Q206 A596L16-F203 HydrophobicContact CB-CD1 4.49Å; L16-F203 HydrophobicContact CB-CE1 3.76Å; L16-F203 HydrophobicContact CB-CZ 4.04Å; L16-F203 HydrophobicContact CD1-CE1 4.05Å; L16-F203 HydrophobicContact CD2-CE1 3.88Å; L16-F203 HydrophobicContact CD2-CZ 4.02Å; L16-F203 HydrophobicContact CG-CE1 4.09Å; E17-F203 HydrophobicContact CB-CD2 3.95Å; E17-F203 HydrophobicContact CB-CE2 3.96Å; E17-F203 HydrophobicContact CG-CD2 4.09Å; E17-F203 HydrophobicContact CG-CE2 3.67Å; E17-F203 WeakPolarHBondContact OE2-CD2 3.14Å; Y18-F203 AromaticContact CD1-CD1 3.98Å; Y18-F203 HydrophobicContact CD1-CD1 3.98Å; Y18-F203 HydrophobicContact CD1-CG 4.46Å; Y18-F203 HydrophobicContact CE1-CD1 4.34Å; A199-F203 WeakPolarHBondContact O-CB 3.33Å; A199-F203 PolarHBondContact O-N 3.3Å; A199-F203 VanDerWaalsContact O-N 3.12Å; N201-F203 PolarHBondContact O-N 3.12Å; F203-E205 VanDerWaalsContact C-N 3.26Å; F203-E205 PolarHBondContact O-N 2.67Å; F203-Q206 WeakPolarHBondContact O-CB 3.49Å; F203-Q206 PolarHBondContact O-N 2.98Å; F203-A596 HydrophobicContact CE1-CB 4.04Å
204L87.4Confident89.8Confident5 Ų560 Ų603%0.02631%0.309CS..Hα-helixtrans-66.5-25.6-179.7-65.2177.4000113.1L39 V200 N201 Q206 H207 K208 I593 A596L39-L204 HydrophobicContact CD1-CD1 4.3Å; V200-L204 HydrophobicContact CG1-CD1 3.78Å; V200-L204 HydrophobicContact CG1-CG 4.47Å; V200-L204 WeakPolarHBondContact O-CB 3.48Å; V200-L204 WeakPolarHBondContact O-CG 3.3Å; V200-L204 PolarHBondContact O-N 3.37Å; N201-L204 PolarHBondContact O-N 3.08Å; L204-Q206 PolarHBondContact O-N 3Å; L204-H207 PolarHBondContact O-N 2.74Å; L204-K208 WeakPolarHBondContact O-CG 3.47Å; L204-K208 PolarHBondContact O-N 3.11Å; L204-I593 HydrophobicContact CD2-CD1 4.01Å; L204-A596 HydrophobicContact CD2-CB 3.81Å
205E88.1Confident89.7Confident96 Ų9665.3 Ų65.345%0.44933%0.334SS..G310 helixtrans-66.9-22.4176.7-66.7-146.5118.600113.7N201 F203 H207 K208N201-E205 WeakPolarHBondContact ND2-CG 3.46Å; N201-E205 PolarHBondContact ND2-OE1 2.92Å; N201-E205 PolarHBondContact ND2-OE2 2.7Å; N201-E205 WeakPolarHBondContact O-CB 3.42Å; N201-E205 WeakPolarHBondContact O-CG 3.4Å; N201-E205 PolarHBondContact O-N 2.77Å; F203-E205 VanDerWaalsContact C-N 3.26Å; F203-E205 PolarHBondContact O-N 2.67Å; E205-H207 VanDerWaalsContact C-N 3.3Å; E205-H207 PolarHBondContact O-N 2.9Å; E205-K208 VanDerWaalsContact CG-CE 3.44Å; E205-K208 VanDerWaalsContact OE1-CE 3.22Å; E205-K208 WeakPolarHBondContact OE1-CE 3.46Å; E205-K208 IonicContact OE1-NZ 3.64Å; E205-K208 PolarHBondContact OE1-NZ 2.89Å
206Q87.6Confident89.7Confident117 Ų11763.8 Ų63.855%0.54733%0.329SS..G310 helixtrans-70.6-27.7176.4-57.8171.725.200112.4S202 F203 L204S202-Q206 PolarHBondContact O-NE2 2.88Å; S202-Q206 VanDerWaalsContact O-NE2 3.11Å; F203-Q206 WeakPolarHBondContact O-CB 3.49Å; F203-Q206 PolarHBondContact O-N 2.98Å; L204-Q206 PolarHBondContact O-N 3Å
207H84.9Confident89.6Confident51 Ų5163.7 Ų63.724%0.23634%0.341CS..G310 helixtrans-13330.4-167.6-61.5103.5000113L204 E205 R595 A596L204-H207 PolarHBondContact O-N 2.74Å; E205-H207 VanDerWaalsContact C-N 3.3Å; E205-H207 PolarHBondContact O-N 2.9Å; H207-R595 WeakPolarHBondContact O-CD 3.4Å; H207-R595 WeakPolarHBondContact O-CG 3.18Å; H207-R595 PolarHBondContact O-NE 2.75Å; H207-A596 HydrophobicContact CB-CB 4.44Å
208K85.1Confident89.4Confident104 Ų10461.4 Ų61.445%0.45233%0.33SS..PPolyproline II helixtrans-53.9136.5-179.2-61.6-174.7-177.1-177.30112.2L204 E205 R595L204-K208 WeakPolarHBondContact O-CG 3.47Å; L204-K208 PolarHBondContact O-N 3.11Å; E205-K208 VanDerWaalsContact CG-CE 3.44Å; E205-K208 VanDerWaalsContact OE1-CE 3.22Å; E205-K208 WeakPolarHBondContact OE1-CE 3.46Å; E205-K208 IonicContact OE1-NZ 3.64Å; E205-K208 PolarHBondContact OE1-NZ 2.89Å; K208-R595 PolarHBondContact O-NE 3.37Å; K208-R595 PolarHBondContact O-NH2 3.1Å
209P87.6Confident89.3Confident22 Ų2257 Ų5714%0.14330%0.304CS..PPolyproline II helixtrans-63.9150.1168.427.5-33.2000111.2V211 E592 R595 V605P209-V211 HydrophobicContact CG-CG2 4.3Å; P209-V211 PolarHBondContact O-N 2.98Å; P209-E592 HydrophobicContact CG-CG 4.32Å; P209-R595 VanDerWaalsContact CA-CD 3.43Å; P209-V605 HydrophobicContact CB-CG2 4.19Å
210E87.4Confident89.3Confident84 Ų8460.7 Ų60.739%0.39333%0.325SS..EExtended strand (participates in β ladder)trans-78.4120.4168.8-77.2136.9-108.800108.1R595 L603 R604 V605E210-R595 IonicContact OE1-CZ 3.98Å; E210-R595 IonicContact OE1-NH1 3.05Å; E210-R595 PolarHBondContact OE1-NH1 3.36Å; E210-R595 IonicContact OE1-NH2 3.72Å; E210-R595 PolarHBondContact OE1-NH2 3.41Å; E210-L603 PolarHBondContact N-O 2.94Å; E210-R604 HydrophobicContact CB-CG 3.66Å; E210-R604 HydrophobicContact CG-CG 4.49Å; E210-R604 WeakPolarHBondContact O-CA 3.36Å; E210-R604 WeakPolarHBondContact OE2-CG 3.32Å; E210-V605 PolarHBondContact O-N 2.79Å
211V90.1Very high89.3Confident70 Ų7061.7 Ų61.742%0.42433%0.333SS..EExtended strand (participates in β ladder)trans-114.5127.6-174.1173.80000109.4P209 E213 V605 F607P209-V211 HydrophobicContact CG-CG2 4.3Å; P209-V211 PolarHBondContact O-N 2.98Å; V211-E213 HydrophobicContact CG1-CG 3.98Å; V211-V605 WeakPolarHBondContact CA-O 3.11Å; V211-F607 HydrophobicContact CG1-CD2 3.66Å; V211-F607 HydrophobicContact CG1-CE2 3.6Å; V211-F607 HydrophobicContact CG2-CE2 4.24Å
212V92.3Very high89.2Confident53 Ų5359.5 Ų59.532%0.32132%0.321SS..EExtended strand (participates in β ladder)trans-116.8109.3177.1-176.80000108.5I214 V605 Y606 F607V212-I214 HydrophobicContact CG1-CG1 4.28Å; V212-V605 PolarHBondContact N-O 2.77Å; V212-Y606 HydrophobicContact CB-CD1 3.81Å; V212-Y606 HydrophobicContact CB-CE1 4.17Å; V212-Y606 HydrophobicContact CB-CG 4.42Å; V212-Y606 HydrophobicContact CG1-CD1 3.91Å; V212-Y606 HydrophobicContact CG1-CE1 4.14Å; V212-Y606 HydrophobicContact CG2-CD1 4.35Å; V212-Y606 HydrophobicContact CG2-CE1 4.26Å; V212-Y606 WeakPolarHBondContact O-CA 3.19Å; V212-F607 PolarHBondContact O-N 2.82Å
213E90.9Very high89.2Confident120 Ų12059.5 Ų59.556%0.56132%0.315SS*.EExtended strand (participates in β ladder)trans-93.998.8-176.9-63.4-173.7167.300111.9V211 H215V211-E213 HydrophobicContact CG1-CG 3.98Å; E213-H215 PolarHBondContact O-N 2.84Å; E213-H215 PolarHBondContact O-ND1 2.91Å; E213-H215 IonicContact OE2-CE1 2.76Å
214I91Very high89.3Confident39 Ų3960.1 Ų60.120%0.232%0.324CS..EExtended strand (participates in β ladder)trans-89.6107.8178.9-66.2159.3000109.2V212 V216 A383 V387 Y606 F607 L608 I609V212-I214 HydrophobicContact CG1-CG1 4.28Å; I214-V216 HydrophobicContact CG2-CG2 4.04Å; I214-V216 PolarHBondContact O-N 3.4Å; I214-A383 HydrophobicContact CG2-CB 4.33Å; I214-V387 HydrophobicContact CD1-CB 4.36Å; I214-V387 HydrophobicContact CD1-CG2 3.6Å; I214-Y606 HydrophobicContact CD1-CD1 3.88Å; I214-F607 PolarHBondContact N-O 3.21Å; I214-L608 HydrophobicContact CD1-CD1 4.47Å; I214-I609 PolarHBondContact O-N 2.65Å
215H90.8Very high89.5Confident116 Ų11659.9 Ų59.954%0.53732%0.323SS..EExtended strand (participates in β ladder)trans-87.299.5178.8-72.972.6000110.4E213E213-H215 PolarHBondContact O-N 2.84Å; E213-H215 PolarHBondContact O-ND1 2.91Å; E213-H215 IonicContact OE2-CE1 2.76Å
216V90.7Very high89.8Confident14 Ų1456 Ų569%0.08530%0.304CS..EExtended strand (participates in β ladder)trans-86.3132.5179.7-170.80000109.7I214 P379 A383 I609 Y610 G611I214-V216 HydrophobicContact CG2-CG2 4.04Å; I214-V216 PolarHBondContact O-N 3.4Å; V216-P379 HydrophobicContact CG1-CB 3.61Å; V216-A383 HydrophobicContact CG2-CB 3.84Å; V216-I609 PolarHBondContact N-O 2.64Å; V216-Y610 HydrophobicContact CB-CD1 3.99Å; V216-Y610 HydrophobicContact CB-CE1 4.06Å; V216-Y610 HydrophobicContact CG1-CD1 4.04Å; V216-Y610 HydrophobicContact CG1-CE1 3.62Å; V216-Y610 WeakPolarHBondContact O-CA 3.48Å; V216-Y610 WeakPolarHBondContact O-CD1 3.36Å; V216-G611 PolarHBondContact O-N 3.14Å
217S89.1Confident90Very high94 Ų9453.9 Ų53.966%0.65730%0.3SS*.EExtended strand (participates in β ladder)trans-81.1130.1172.657.70000111.8
218M88.5Confident90.4Very high12 Ų1251.7 Ų51.76%0.05929%0.291CS..PPolyproline II helixtrans-67.7151.6167.9-68.8-175.1-69.300111.4M222 L223 Y610M218-M222 HydrophobicContact CB-CB 4.44Å; M218-M222 HydrophobicContact CB-CG 4.31Å; M218-M222 HydrophobicContact CB-SD 3.93Å; M218-M222 HydrophobicContact CG-CE 3.99Å; M218-M222 HydrophobicContact CG-CG 4.42Å; M218-M222 HydrophobicContact CG-SD 3.73Å; M218-M222 HydrophobicContact SD-CE 3.76Å; M218-M222 HydrophobicContact SD-CG 4.21Å; M218-M222 HydrophobicContact SD-SD 4.04Å; M218-L223 HydrophobicContact CB-CG 4.05Å; M218-L223 HydrophobicContact CE-CD2 3.68Å; M218-L223 HydrophobicContact CE-CG 4.36Å; M218-Y610 HydrophobicContact CB-CD1 4.29Å; M218-Y610 HydrophobicContact CG-CD1 3.32Å; M218-Y610 HydrophobicContact CG-CD2 4.42Å; M218-Y610 HydrophobicContact CG-CE1 3.84Å; M218-Y610 HydrophobicContact CG-CG 3.67Å; M218-Y610 HydrophobicContact SD-CG 4.44Å
219T89.9Confident90.7Very high25 Ų2546.8 Ų46.815%0.15327%0.269CS..PPolyproline II helixtrans-73.1156.1177.474.80000111.5A221 M222 L223 E376 P379T219-A221 VanDerWaalsContact C-N 3.26Å; T219-A221 PolarHBondContact O-N 3.04Å; T219-M222 WeakPolarHBondContact O-CB 3.38Å; T219-M222 PolarHBondContact O-N 2.87Å; T219-M222 VanDerWaalsContact O-N 3.09Å; T219-M222 WeakPolarHBondContact OG1-CB 3.49Å; T219-M222 PolarHBondContact OG1-N 3.45Å; T219-L223 PolarHBondContact O-N 3.42Å; T219-E376 VanDerWaalsContact CB-OE1 3.23Å; T219-E376 WeakPolarHBondContact CB-OE1 3.4Å; T219-E376 HydrophobicContact CG2-CG 4.5Å; T219-E376 WeakPolarHBondContact CG2-OE1 3.45Å; T219-E376 PolarHBondContact OG1-OE1 3.32Å; T219-P379 HydrophobicContact CG2-CG 3.61Å
220P90.4Very high90.9Very high111 Ų11147.1 Ų47.172%0.72127%0.27SS*.Hα-helixtrans-57.8-35.2178.9-27.136000113.9A224P220-A224 WeakPolarHBondContact O-CB 3.46Å; P220-A224 PolarHBondContact O-N 2.86Å
221A89.6Confident91.1Very high21 Ų2147 Ų4717%0.17427%0.272CS..Hα-helixtrans-68.6-40.6175.900000111.9T219 A224 I225 R342T219-A221 VanDerWaalsContact C-N 3.26Å; T219-A221 PolarHBondContact O-N 3.04Å; A221-A224 PolarHBondContact O-N 3.2Å; A221-I225 WeakPolarHBondContact O-CD1 3.32Å; A221-I225 VanDerWaalsContact O-CG1 3.28Å; A221-I225 WeakPolarHBondContact O-CG1 3.29Å; A221-I225 PolarHBondContact O-N 3Å; A221-R342 HydrophobicContact CB-CG 4Å
222M90.8Very high91.1Very high2 Ų243.7 Ų43.71%0.0125%0.252CS..Hα-helixtrans-64.9-42.1175.1-174.3178.6-179.800111.8M218 T219 I225 Q226 L298 Y610M218-M222 HydrophobicContact CB-CB 4.44Å; M218-M222 HydrophobicContact CB-CG 4.31Å; M218-M222 HydrophobicContact CB-SD 3.93Å; M218-M222 HydrophobicContact CG-CE 3.99Å; M218-M222 HydrophobicContact CG-CG 4.42Å; M218-M222 HydrophobicContact CG-SD 3.73Å; M218-M222 HydrophobicContact SD-CE 3.76Å; M218-M222 HydrophobicContact SD-CG 4.21Å; M218-M222 HydrophobicContact SD-SD 4.04Å; T219-M222 WeakPolarHBondContact O-CB 3.38Å; T219-M222 PolarHBondContact O-N 2.87Å; T219-M222 VanDerWaalsContact O-N 3.09Å; T219-M222 WeakPolarHBondContact OG1-CB 3.49Å; T219-M222 PolarHBondContact OG1-N 3.45Å; M222-I225 PolarHBondContact O-N 3.38Å; M222-Q226 PolarHBondContact O-N 3.47Å; M222-L298 HydrophobicContact CE-CG 4.32Å; M222-L298 HydrophobicContact CG-CD1 4.16Å; M222-L298 HydrophobicContact CG-CD2 4.31Å; M222-L298 HydrophobicContact CG-CG 4.09Å; M222-Y610 HydrophobicContact CE-CD2 4.38Å; M222-Y610 HydrophobicContact CE-CE2 4.12Å
223L91.3Very high91Very high73 Ų7341.1 Ų41.138%0.38224%0.236SC..Hα-helixtrans-60.4-44.4173.8-80.2161.1000112.5M218 T219 I225 Q226 T227M218-L223 HydrophobicContact CB-CG 4.05Å; M218-L223 HydrophobicContact CE-CD2 3.68Å; M218-L223 HydrophobicContact CE-CG 4.36Å; T219-L223 PolarHBondContact O-N 3.42Å; L223-I225 VanDerWaalsContact C-N 3.35Å; L223-I225 PolarHBondContact O-N 3.01Å; L223-Q226 PolarHBondContact O-N 2.98Å; L223-T227 PolarHBondContact O-N 2.98Å; L223-T227 PolarHBondContact O-OG1 3.25Å
224A92.2Very high90.9Very high33 Ų3337.7 Ų37.727%0.27322%0.222SC..Hα-helixtrans-62.8-40.2176.700000112.2P220 A221 A228P220-A224 WeakPolarHBondContact O-CB 3.46Å; P220-A224 PolarHBondContact O-N 2.86Å; A221-A224 PolarHBondContact O-N 3.2Å; A224-A228 WeakPolarHBondContact O-CB 3.38Å; A224-A228 PolarHBondContact O-N 3.16Å
225I92.3Very high90.8Very high0 Ų037.7 Ų37.70%023%0.228CC..Hα-helixtrans-67.1-44.2174.7-65.7162.2000111.3A221 M222 L223 T227 A228 I229 L298 F306 M335 N338 A339A221-I225 WeakPolarHBondContact O-CD1 3.32Å; A221-I225 VanDerWaalsContact O-CG1 3.28Å; A221-I225 WeakPolarHBondContact O-CG1 3.29Å; A221-I225 PolarHBondContact O-N 3Å; M222-I225 PolarHBondContact O-N 3.38Å; L223-I225 VanDerWaalsContact C-N 3.35Å; L223-I225 PolarHBondContact O-N 3.01Å; I225-T227 VanDerWaalsContact C-N 3.34Å; I225-T227 PolarHBondContact O-N 3Å; I225-A228 PolarHBondContact O-N 3.38Å; I225-I229 HydrophobicContact CG2-CD1 3.69Å; I225-I229 HydrophobicContact CG2-CG1 4.36Å; I225-I229 WeakPolarHBondContact O-CG1 3.11Å; I225-I229 PolarHBondContact O-N 2.89Å; I225-L298 HydrophobicContact CB-CD1 4.09Å; I225-L298 HydrophobicContact CB-CD2 4.3Å; I225-L298 HydrophobicContact CD1-CD1 4.33Å; I225-L298 HydrophobicContact CG2-CD1 3.61Å; I225-L298 HydrophobicContact CG2-CD2 3.88Å; I225-L298 HydrophobicContact CG2-CG 4.35Å; I225-F306 HydrophobicContact CD1-CE1 4.48Å; I225-F306 HydrophobicContact CG2-CE1 4.31Å; I225-F306 HydrophobicContact CG2-CZ 4.03Å; I225-M335 HydrophobicContact CG2-CG 4.08Å; I225-N338 HydrophobicContact CD1-CB 4.05Å; I225-N338 HydrophobicContact CG1-CB 3.69Å; I225-A339 HydrophobicContact CD1-CB 4.25Å
226Q92.6Very high90.6Very high14 Ų1432.5 Ų32.57%0.06520%0.204CC..Hα-helixtrans-59.4-46.4178.2-170.2-175.3-110.200110.9M222 L223 I229 L230 L295 L298 T614M222-Q226 PolarHBondContact O-N 3.47Å; L223-Q226 PolarHBondContact O-N 2.98Å; Q226-I229 PolarHBondContact O-N 3.35Å; Q226-L230 HydrophobicContact CG-CD1 4.19Å; Q226-L230 WeakPolarHBondContact O-CG 3.39Å; Q226-L230 PolarHBondContact O-N 3.42Å; Q226-L295 HydrophobicContact CG-CD1 3.99Å; Q226-L298 HydrophobicContact CB-CD2 3.85Å; Q226-T614 HydrophobicContact CG-CG2 3.92Å; Q226-T614 PolarHBondContact OE1-OG1 3.29Å
227T93.2Very high90.5Very high74 Ų7432.3 Ų32.345%0.45420%0.202SC..Hα-helixtrans-61.6-48178.4-51.70000111L223 I225 I229 L230 D231L223-T227 PolarHBondContact O-N 2.98Å; L223-T227 PolarHBondContact O-OG1 3.25Å; I225-T227 VanDerWaalsContact C-N 3.34Å; I225-T227 PolarHBondContact O-N 3Å; T227-I229 VanDerWaalsContact C-N 3.35Å; T227-I229 PolarHBondContact O-N 3.45Å; T227-L230 PolarHBondContact O-N 3.46Å; T227-L230 VanDerWaalsContact O-N 3.16Å; T227-D231 PolarHBondContact O-N 3.15Å
228A92.4Very high90.3Very high5 Ų534 Ų344%0.04120%0.198CC..Hα-helixtrans-59-41.317800000113.4A224 I225 I232 S331 M335A224-A228 WeakPolarHBondContact O-CB 3.38Å; A224-A228 PolarHBondContact O-N 3.16Å; I225-A228 PolarHBondContact O-N 3.38Å; A228-I232 WeakPolarHBondContact O-CD1 3.29Å; A228-I232 WeakPolarHBondContact O-CG1 3.41Å; A228-I232 PolarHBondContact O-N 3.18Å; A228-I232 VanDerWaalsContact O-N 3.12Å; A228-S331 WeakPolarHBondContact CB-O 3.18Å; A228-M335 HydrophobicContact CB-CB 4.18Å
229I91.9Very high90.2Very high0 Ų036.7 Ų36.70%021%0.211CC..Hα-helixtrans-68.1-39.5176.9-64.9166.5000110.9I225 Q226 T227 I232 L233 L291 L294 L295 M335I225-I229 HydrophobicContact CG2-CD1 3.69Å; I225-I229 HydrophobicContact CG2-CG1 4.36Å; I225-I229 WeakPolarHBondContact O-CG1 3.11Å; I225-I229 PolarHBondContact O-N 2.89Å; Q226-I229 PolarHBondContact O-N 3.35Å; T227-I229 VanDerWaalsContact C-N 3.35Å; T227-I229 PolarHBondContact O-N 3.45Å; I229-I232 PolarHBondContact O-N 3.02Å; I229-L233 VanDerWaalsContact O-CB 3.25Å; I229-L233 WeakPolarHBondContact O-CB 3.46Å; I229-L233 PolarHBondContact O-N 3.06Å; I229-L291 HydrophobicContact CG2-CD2 4.37Å; I229-L294 HydrophobicContact CD1-CD2 4.06Å; I229-L294 HydrophobicContact CD1-CG 4.01Å; I229-L294 HydrophobicContact CG1-CD2 4.39Å; I229-L295 HydrophobicContact CB-CD1 4.11Å; I229-L295 HydrophobicContact CD1-CD1 4.47Å; I229-L295 HydrophobicContact CG2-CB 4.01Å; I229-L295 HydrophobicContact CG2-CD1 3.9Å; I229-L295 HydrophobicContact CG2-CG 4.42Å; I229-M335 HydrophobicContact CD1-SD 4.08Å; I229-M335 HydrophobicContact CG1-SD 3.64Å
230L90.8Very high90Very high30 Ų3035.5 Ų35.516%0.15720%0.203CC..Hα-helixtrans-66.2-38.2176.8-71.5172.2000112.5Q226 T227 L233 N234 L254 I258 L295 T614Q226-L230 HydrophobicContact CG-CD1 4.19Å; Q226-L230 WeakPolarHBondContact O-CG 3.39Å; Q226-L230 PolarHBondContact O-N 3.42Å; T227-L230 PolarHBondContact O-N 3.46Å; T227-L230 VanDerWaalsContact O-N 3.16Å; L230-L233 HydrophobicContact CD2-CD2 4.46Å; L230-L233 PolarHBondContact O-N 3.21Å; L230-N234 WeakPolarHBondContact O-CB 3.42Å; L230-N234 PolarHBondContact O-N 3.04Å; L230-L254 HydrophobicContact CD2-CD1 4.32Å; L230-I258 HydrophobicContact CD2-CD1 4.05Å; L230-I258 HydrophobicContact CD2-CG1 4.2Å; L230-L295 HydrophobicContact CD2-CD2 3.91Å; L230-T614 HydrophobicContact CD1-CG2 4.12Å; L230-T614 HydrophobicContact CD2-CG2 4.3Å
231D91.5Very high89.8Confident81 Ų8134.2 Ų34.243%0.43319%0.186SC..Hα-helixtrans-63.8-44.8174.1-78.7-32.2000112.1T227 N234 A235T227-D231 PolarHBondContact O-N 3.15Å; D231-N234 PolarHBondContact O-N 2.91Å; D231-A235 WeakPolarHBondContact O-CB 3.34Å; D231-A235 PolarHBondContact O-N 3Å
232I90.3Very high89.5Confident0 Ų038 Ų380%021%0.211CC..Hα-helixtrans-63.5-45.2175.9-63.8161.5000110.3A228 I229 N234 A235 C236 L291 W326 L329A228-I232 WeakPolarHBondContact O-CD1 3.29Å; A228-I232 WeakPolarHBondContact O-CG1 3.41Å; A228-I232 PolarHBondContact O-N 3.18Å; A228-I232 VanDerWaalsContact O-N 3.12Å; I229-I232 PolarHBondContact O-N 3.02Å; I232-N234 VanDerWaalsContact C-N 3.31Å; I232-N234 PolarHBondContact O-N 2.94Å; I232-A235 PolarHBondContact O-N 3.24Å; I232-C236 PolarHBondContact O-N 3.04Å; I232-C236 PolarHBondContact O-SG 2.9Å; I232-C236 VanDerWaalsContact O-SG 3.4Å; I232-L291 HydrophobicContact CB-CD2 4.26Å; I232-L291 HydrophobicContact CG2-CD1 3.79Å; I232-L291 HydrophobicContact CG2-CD2 3.71Å; I232-L291 HydrophobicContact CG2-CG 4.43Å; I232-W326 HydrophobicContact CD1-CE3 4.26Å; I232-W326 HydrophobicContact CG2-CB 3.83Å; I232-W326 HydrophobicContact CG2-CD2 4.32Å; I232-W326 HydrophobicContact CG2-CE3 3.91Å; I232-W326 HydrophobicContact CG2-CG 4.36Å; I232-L329 HydrophobicContact CG1-CD2 4.19Å
233L90.1Very high88.9Confident0 Ų042.4 Ų42.40%023%0.231CC..Hα-helixtrans-59-43177.3-177.862.9000111.5I229 L230 C236 L237 L254 A257 L288 L291I229-L233 VanDerWaalsContact O-CB 3.25Å; I229-L233 WeakPolarHBondContact O-CB 3.46Å; I229-L233 PolarHBondContact O-N 3.06Å; L230-L233 HydrophobicContact CD2-CD2 4.46Å; L230-L233 PolarHBondContact O-N 3.21Å; L233-C236 PolarHBondContact O-N 3.13Å; L233-L237 VanDerWaalsContact O-CB 3.25Å; L233-L237 WeakPolarHBondContact O-CB 3.48Å; L233-L237 PolarHBondContact O-N 3.45Å; L233-L254 HydrophobicContact CD2-CD1 3.93Å; L233-L254 HydrophobicContact CG-CD1 4.16Å; L233-A257 HydrophobicContact CD2-CB 4.29Å; L233-L288 HydrophobicContact CD1-CD2 4.05Å; L233-L288 HydrophobicContact CD1-CG 3.76Å; L233-L291 HydrophobicContact CD1-CB 4.41Å
234N90.1Very high88.2Confident48 Ų4839.6 Ų39.626%0.25722%0.216SC..Hα-helixtrans-64.5-41.2175.7-174.65.5000112L230 D231 I232 L237 K238L230-N234 WeakPolarHBondContact O-CB 3.42Å; L230-N234 PolarHBondContact O-N 3.04Å; D231-N234 PolarHBondContact O-N 2.91Å; I232-N234 VanDerWaalsContact C-N 3.31Å; I232-N234 PolarHBondContact O-N 2.94Å; N234-L237 PolarHBondContact O-N 3.16Å; N234-K238 PolarHBondContact ND2-NZ 3.48Å; N234-K238 WeakPolarHBondContact O-CD 3.48Å; N234-K238 VanDerWaalsContact O-CG 3.3Å; N234-K238 WeakPolarHBondContact O-CG 3.45Å; N234-K238 PolarHBondContact O-N 3.11Å; N234-K238 WeakPolarHBondContact OD1-CE 3.46Å; N234-K238 PolarHBondContact OD1-NZ 3.41Å
235A88.5Confident87.4Confident39 Ų3943.9 Ų43.932%0.32224%0.241SC..Hα-helixtrans-63.7-47.9174.300000112.1D231 I232 L237 K238 E239 L329D231-A235 WeakPolarHBondContact O-CB 3.34Å; D231-A235 PolarHBondContact O-N 3Å; I232-A235 PolarHBondContact O-N 3.24Å; A235-L237 VanDerWaalsContact C-N 3.33Å; A235-L237 PolarHBondContact O-N 3.12Å; A235-K238 PolarHBondContact O-N 2.98Å; A235-E239 PolarHBondContact O-N 3.17Å; A235-L329 HydrophobicContact CB-CD2 4.1Å
236C87.1Confident86.3Confident6 Ų648.1 Ų48.14%0.04127%0.271CS..Hα-helixtrans-61.8-38.7176-700000112.4I232 L233 E239 L240 L284I232-C236 PolarHBondContact O-N 3.04Å; I232-C236 PolarHBondContact O-SG 2.9Å; I232-C236 VanDerWaalsContact O-SG 3.4Å; L233-C236 PolarHBondContact O-N 3.13Å; C236-E239 PolarHBondContact O-N 3.46Å; C236-L240 WeakPolarHBondContact O-CB 3.29Å; C236-L240 PolarHBondContact O-N 2.89Å; C236-L284 HydrophobicContact CB-CD1 3.66Å
237L87.6Confident85.3Confident10 Ų1048 Ų485%0.05227%0.27CS..Hα-helixtrans-67-38.1177.6-17062.6000112L233 N234 A235 L240 K241 L252 A257 F262 L288L233-L237 VanDerWaalsContact O-CB 3.25Å; L233-L237 WeakPolarHBondContact O-CB 3.48Å; L233-L237 PolarHBondContact O-N 3.45Å; N234-L237 PolarHBondContact O-N 3.16Å; A235-L237 VanDerWaalsContact C-N 3.33Å; A235-L237 PolarHBondContact O-N 3.12Å; L237-L240 PolarHBondContact O-N 3.03Å; L237-K241 WeakPolarHBondContact O-CB 3.22Å; L237-K241 PolarHBondContact O-N 2.97Å; L237-L252 HydrophobicContact CD1-CB 4.38Å; L237-L252 HydrophobicContact CD1-CD2 3.85Å; L237-A257 HydrophobicContact CD2-CB 4.41Å; L237-F262 HydrophobicContact CD1-CZ 3.99Å; L237-L288 HydrophobicContact CD1-CD1 4.3Å
238K86.1Confident83.9Confident131 Ų13150.8 Ų50.857%0.5728%0.279SS*.Hα-helixtrans-64.5-43.7172.4-74.3161.5176.61560112.2N234 A235 K241 C242N234-K238 PolarHBondContact ND2-NZ 3.48Å; N234-K238 WeakPolarHBondContact O-CD 3.48Å; N234-K238 VanDerWaalsContact O-CG 3.3Å; N234-K238 WeakPolarHBondContact O-CG 3.45Å; N234-K238 PolarHBondContact O-N 3.11Å; N234-K238 WeakPolarHBondContact OD1-CE 3.46Å; N234-K238 PolarHBondContact OD1-NZ 3.41Å; A235-K238 PolarHBondContact O-N 2.98Å; K238-K241 PolarHBondContact O-N 2.96Å; K238-C242 WeakPolarHBondContact O-CB 3.04Å; K238-C242 PolarHBondContact O-N 3.46Å
239E86.1Confident82.3Confident68 Ų6855.2 Ų55.232%0.31831%0.305SS..Hα-helixtrans-65.1-40.5176.4-171.8176.7-138.200111.6A235 C236 K241 C242 H243 K280 L284A235-E239 PolarHBondContact O-N 3.17Å; C236-E239 PolarHBondContact O-N 3.46Å; E239-K241 PolarHBondContact O-N 3.11Å; E239-C242 WeakPolarHBondContact O-CB 3.47Å; E239-C242 PolarHBondContact O-N 3.41Å; E239-H243 PolarHBondContact O-CD2 3.29Å; E239-H243 VanDerWaalsContact O-CD2 3.26Å; E239-H243 PolarHBondContact O-N 3.26Å; E239-H243 VanDerWaalsContact O-N 3.13Å; E239-K280 WeakPolarHBondContact OE1-CE 3.26Å; E239-K280 IonicContact OE1-NZ 3.27Å; E239-K280 PolarHBondContact OE1-NZ 2.78Å; E239-K280 WeakPolarHBondContact OE2-CE 3.37Å; E239-K280 IonicContact OE2-NZ 2.6Å; E239-K280 PolarHBondContact OE2-NZ 2.84Å; E239-L284 HydrophobicContact CB-CD2 3.94Å; E239-L284 HydrophobicContact CG-CD2 3.93Å
240L86.1Confident80.9Confident0 Ų063.1 Ų63.10%034%0.342CS..Hα-helixtrans-61.9-43.3176.3-175.765.8000111.6C236 L237 H243 N244 L247 L284 V285 L288C236-L240 WeakPolarHBondContact O-CB 3.29Å; C236-L240 PolarHBondContact O-N 2.89Å; L237-L240 PolarHBondContact O-N 3.03Å; L240-H243 PolarHBondContact O-N 2.89Å; L240-N244 PolarHBondContact O-N 2.78Å; L240-N244 VanDerWaalsContact O-N 3.16Å; L240-N244 PolarHBondContact O-ND2 3.39Å; L240-L247 HydrophobicContact CG-CD1 4.41Å; L240-L284 HydrophobicContact CB-CD2 3.79Å; L240-L284 HydrophobicContact CB-CG 4.42Å; L240-L284 HydrophobicContact CD1-CD2 4.28Å; L240-V285 HydrophobicContact CD1-CG2 3.89Å; L240-V285 HydrophobicContact CD2-CG2 4.42Å; L240-L288 HydrophobicContact CD2-CD1 4.23Å
241K84.4Confident79.6Confident83 Ų8364.1 Ų64.136%0.36135%0.347SS..Hα-helixtrans-66.4-38.7175.6-171.6172.5-176.7172.30112.4L237 K238 E239 H243 N244 L252L237-K241 WeakPolarHBondContact O-CB 3.22Å; L237-K241 PolarHBondContact O-N 2.97Å; K238-K241 PolarHBondContact O-N 2.96Å; E239-K241 PolarHBondContact O-N 3.11Å; K241-H243 VanDerWaalsContact C-N 3.31Å; K241-H243 PolarHBondContact O-N 3.37Å; K241-N244 CarbonylContact O-C 3.19Å; K241-N244 PolarHBondContact O-N 3.4Å; K241-L252 HydrophobicContact CB-CD1 4.07Å; K241-L252 HydrophobicContact CD-CD1 4.29Å; K241-L252 HydrophobicContact CG-CD1 4.04Å
242C83.3Confident78.7Confident102 Ų10261 Ų6169%0.68933%0.331SS*.Hα-helixtrans-62-37.9177.2-170.60000112.4K238 E239K238-C242 WeakPolarHBondContact O-CB 3.04Å; K238-C242 PolarHBondContact O-N 3.46Å; E239-C242 WeakPolarHBondContact O-CB 3.47Å; E239-C242 PolarHBondContact O-N 3.41Å
243H79Confident78.2Confident94 Ų9462.8 Ų62.844%0.43534%0.343SS..Hα-helixtrans-83.3-19.8179.1-67.9-48.6000114.3E239 L240 K241 T281E239-H243 PolarHBondContact O-CD2 3.29Å; E239-H243 VanDerWaalsContact O-CD2 3.26Å; E239-H243 PolarHBondContact O-N 3.26Å; E239-H243 VanDerWaalsContact O-N 3.13Å; L240-H243 PolarHBondContact O-N 2.89Å; K241-H243 VanDerWaalsContact C-N 3.31Å; K241-H243 PolarHBondContact O-N 3.37Å; H243-T281 HydrophobicContact CB-CG2 3.69Å
244N76.9Confident77.9Confident13 Ų1365.6 Ų65.67%0.0736%0.357CS..  trans-13176.1-174.3-54.8-83.4000111.1L240 K241 S246 L247 L277L240-N244 PolarHBondContact O-N 2.78Å; L240-N244 VanDerWaalsContact O-N 3.16Å; L240-N244 PolarHBondContact O-ND2 3.39Å; K241-N244 CarbonylContact O-C 3.19Å; K241-N244 PolarHBondContact O-N 3.4Å; N244-S246 PolarHBondContact O-N 3.2Å; N244-S246 VanDerWaalsContact O-N 3.1Å; N244-L247 HydrophobicContact CB-CD1 3.87Å; N244-L247 HydrophobicContact CB-CG 3.99Å; N244-L247 PolarHBondContact O-N 3.07Å; N244-L247 VanDerWaalsContact O-N 3.14Å; N244-L277 WeakPolarHBondContact OD1-CD2 3.36Å
245P75.4Confident77.5Confident123 Ų12367.2 Ų67.280%0.79936%0.363SS*.THydrogen-bonded Turntrans-67.9-6.9179.329.9-36.7000113.7L247P245-L247 VanDerWaalsContact C-N 3.32Å
246S69.1Low77.1Confident89 Ų8967.4 Ų67.462%0.62236%0.359SS*.THydrogen-bonded Turntrans-81.2-5.3172.652.60000114.2N244N244-S246 PolarHBondContact O-N 3.2Å; N244-S246 VanDerWaalsContact O-N 3.1Å
247L70.9Confident76.9Confident11 Ų1167.1 Ų67.16%0.05836%0.357CS..SBendtrans-85.7128.5173.3-67.3177.3000110.5L240 N244 P245 L252 Y269 L270L240-L247 HydrophobicContact CG-CD1 4.41Å; N244-L247 HydrophobicContact CB-CD1 3.87Å; N244-L247 HydrophobicContact CB-CG 3.99Å; N244-L247 PolarHBondContact O-N 3.07Å; N244-L247 VanDerWaalsContact O-N 3.14Å; P245-L247 VanDerWaalsContact C-N 3.32Å; L247-L252 HydrophobicContact CB-CD1 3.57Å; L247-L252 HydrophobicContact CB-CG 4.31Å; L247-L252 HydrophobicContact CD1-CD1 4.04Å; L247-L252 HydrophobicContact CD1-CD2 4.33Å; L247-L252 HydrophobicContact CG-CD1 4.47Å; L247-Y269 HydrophobicContact CD2-CD2 4.43Å; L247-Y269 HydrophobicContact CD2-CG 4.26Å; L247-L270 HydrophobicContact CD1-CD2 4.25Å; L247-L270 HydrophobicContact CD2-CD2 3.88Å; L247-L270 HydrophobicContact CD2-CG 4.45Å; L247-L270 HydrophobicContact CG-CD2 4.36Å
248E63.6Low76.8Confident134 Ų13467.4 Ų67.463%0.62636%0.359SS*.  trans-66.7143.7-174.6-164.8150-136.900112.6E250E248-E250 PolarHBondContact O-N 3.45Å
249V59.2Low76.4Confident97 Ų9761.9 Ų61.959%0.58834%0.339SS*.THydrogen-bonded Turntrans-72.8-30.6-163.3170.60000113.1
250E62.2Low75.9Confident167 Ų16762.9 Ų62.978%0.7834%0.343SS*.THydrogen-bonded Turntrans-77.6-34.8-173.1-54.9-166.7174.900112.5E248 N256E248-E250 PolarHBondContact O-N 3.45Å; E250-N256 PolarHBondContact O-ND2 2.83Å
251D64.8Low75.3Confident50 Ų5066.9 Ų66.927%0.26737%0.369SS..THydrogen-bonded Turntrans-71.4-34.6177.9-95.3-7.5000112.3S253 N256 Y269D251-S253 PolarHBondContact O-N 2.92Å; D251-N256 WeakPolarHBondContact CA-ND2 3.46Å; D251-N256 WeakPolarHBondContact O-CB 3.49Å; D251-N256 PolarHBondContact O-ND2 3.44Å; D251-Y269 WeakPolarHBondContact OD2-CE2 3.38Å; D251-Y269 PolarHBondContact OD2-OH 3.11Å
252L71.4Confident75Confident17 Ų1763.2 Ų63.29%0.08935%0.352CS..SBendtrans-7943.5179.8-64.9-179.1000114L237 K241 L247 F262 I266L237-L252 HydrophobicContact CD1-CB 4.38Å; L237-L252 HydrophobicContact CD1-CD2 3.85Å; K241-L252 HydrophobicContact CB-CD1 4.07Å; K241-L252 HydrophobicContact CD-CD1 4.29Å; K241-L252 HydrophobicContact CG-CD1 4.04Å; L247-L252 HydrophobicContact CB-CD1 3.57Å; L247-L252 HydrophobicContact CB-CG 4.31Å; L247-L252 HydrophobicContact CD1-CD1 4.04Å; L247-L252 HydrophobicContact CD1-CD2 4.33Å; L247-L252 HydrophobicContact CG-CD1 4.47Å; L252-F262 HydrophobicContact CD2-CZ 4.27Å; L252-I266 HydrophobicContact CD2-CD1 3.76Å
253S80.2Confident74.7Confident37 Ų3759.9 Ų59.926%0.25933%0.328SS..  trans-92.9155.2172.978.20000112.3D251 E255 N256 A257D251-S253 PolarHBondContact O-N 2.92Å; S253-E255 VanDerWaalsContact C-N 3.31Å; S253-E255 PolarHBondContact O-N 3.11Å; S253-N256 PolarHBondContact O-N 2.93Å; S253-N256 WeakPolarHBondContact OG-CB 3.5Å; S253-N256 PolarHBondContact OG-N 3.12Å; S253-N256 VanDerWaalsContact OG-N 3.13Å; S253-N256 PolarHBondContact OG-ND2 2.99Å; S253-A257 PolarHBondContact O-N 2.92Å; S253-A257 VanDerWaalsContact O-N 3.08Å
254L83.1Confident74.6Confident58 Ų5862.7 Ų62.730%0.30434%0.339SS..Hα-helixtrans-66.4-33.6175-174.263.1000111.9L230 L233 A257 I258L230-L254 HydrophobicContact CD2-CD1 4.32Å; L233-L254 HydrophobicContact CD2-CD1 3.93Å; L233-L254 HydrophobicContact CG-CD1 4.16Å; L254-A257 PolarHBondContact O-N 3.28Å; L254-I258 WeakPolarHBondContact O-CG1 3.25Å; L254-I258 PolarHBondContact O-N 3.23Å
255E81.5Confident74.7Confident82 Ų8264 Ų6438%0.38335%0.347SS..Hα-helixtrans-60.2-47.1174.4-65-159.7146.200110.9S253 A257 I258 T621 R624S253-E255 VanDerWaalsContact C-N 3.31Å; S253-E255 PolarHBondContact O-N 3.11Å; E255-A257 PolarHBondContact O-N 2.93Å; E255-I258 PolarHBondContact O-N 3.25Å; E255-T621 HydrophobicContact CB-CG2 4.39Å; E255-R624 IonicContact OE1-NH1 2.75Å; E255-R624 PolarHBondContact OE1-NH1 2.99Å; E255-R624 VanDerWaalsContact OE1-NH1 3.09Å; E255-R624 IonicContact OE2-NH1 3.66Å; E255-R624 PolarHBondContact OE2-NH1 3.35Å
256N81.8Confident74.9Confident43 Ų4358.5 Ų58.523%0.2331%0.311CS..Hα-helixtrans-65.7-38.2178.5-65.9-22.9000112E250 D251 S253 I258 G259 F262E250-N256 PolarHBondContact O-ND2 2.83Å; D251-N256 WeakPolarHBondContact CA-ND2 3.46Å; D251-N256 WeakPolarHBondContact O-CB 3.49Å; D251-N256 PolarHBondContact O-ND2 3.44Å; S253-N256 PolarHBondContact O-N 2.93Å; S253-N256 WeakPolarHBondContact OG-CB 3.5Å; S253-N256 PolarHBondContact OG-N 3.12Å; S253-N256 VanDerWaalsContact OG-N 3.13Å; S253-N256 PolarHBondContact OG-ND2 2.99Å; N256-I258 VanDerWaalsContact C-N 3.29Å; N256-I258 PolarHBondContact O-N 3.21Å; N256-G259 WeakPolarHBondContact O-CA 3.39Å; N256-G259 PolarHBondContact O-N 2.85Å; N256-F262 HydrophobicContact CB-CD2 4.14Å; N256-F262 HydrophobicContact CB-CE2 4.43Å; N256-F262 WeakPolarHBondContact O-CB 3.34Å
257A83.2Confident75.3Confident0 Ų059.4 Ų59.40%030%0.301CS..Hα-helixtrans-63.7-28.9-178.100000114.1L233 L237 S253 L254 E255 G259 F262 R292L233-A257 HydrophobicContact CD2-CB 4.29Å; L237-A257 HydrophobicContact CD2-CB 4.41Å; S253-A257 PolarHBondContact O-N 2.92Å; S253-A257 VanDerWaalsContact O-N 3.08Å; L254-A257 PolarHBondContact O-N 3.28Å; E255-A257 PolarHBondContact O-N 2.93Å; A257-G259 PolarHBondContact O-N 2.66Å; A257-F262 HydrophobicContact CB-CD1 4.49Å; A257-F262 HydrophobicContact CB-CD2 4.42Å; A257-F262 HydrophobicContact CB-CE1 4.3Å; A257-F262 HydrophobicContact CB-CE2 4.23Å; A257-F262 HydrophobicContact CB-CZ 4.17Å; A257-R292 VanDerWaalsContact O-CD 3.26Å; A257-R292 WeakPolarHBondContact O-CD 3.36Å
258I83.8Confident75.6Confident16 Ų1665.5 Ų65.58%0.08233%0.329CS..Hα-helixtrans-70.5-22.8172.9-63.7162.3000111L230 L254 E255 N256 L295 R618L230-I258 HydrophobicContact CD2-CD1 4.05Å; L230-I258 HydrophobicContact CD2-CG1 4.2Å; L254-I258 WeakPolarHBondContact O-CG1 3.25Å; L254-I258 PolarHBondContact O-N 3.23Å; E255-I258 PolarHBondContact O-N 3.25Å; N256-I258 VanDerWaalsContact C-N 3.29Å; N256-I258 PolarHBondContact O-N 3.21Å; I258-L295 HydrophobicContact CG1-CD2 4.45Å; I258-R618 HydrophobicContact CG2-CB 4.35Å
259G78.6Confident76.2Confident16 Ų1663.3 Ų63.317%0.16532%0.316CS..SBendtrans-68.1142-176.200000115N256 A257 P261 F262 R292N256-G259 WeakPolarHBondContact O-CA 3.39Å; N256-G259 PolarHBondContact O-N 2.85Å; A257-G259 PolarHBondContact O-N 2.66Å; G259-P261 VanDerWaalsContact C-N 3.34Å; G259-F262 PolarHBondContact O-N 3.18Å; G259-R292 PolarHBondContact O-NH1 3Å
260K74.4Confident77.1Confident89 Ų8958.8 Ų58.839%0.38729%0.288SS..THydrogen-bonded Turntrans-49.4-41.1168.8-67.5-175.1-178.5179.40114F262 R292 E584K260-F262 PolarHBondContact O-N 3.21Å; K260-R292 PolarHBondContact O-NH1 2.84Å; K260-E584 IonicContact NZ-OE1 3.29Å; K260-E584 PolarHBondContact NZ-OE1 3.05Å
261P73.9Confident77.6Confident84 Ų8456 Ų5655%0.54528%0.279SS..THydrogen-bonded Turntrans-81.4-7.2-174.932.3-36.3000115.7G259 D263 K264 T265G259-P261 VanDerWaalsContact C-N 3.34Å; P261-D263 VanDerWaalsContact C-N 3.3Å; P261-D263 PolarHBondContact O-N 2.72Å; P261-K264 WeakPolarHBondContact O-CA 3.34Å; P261-K264 WeakPolarHBondContact O-CB 3.45Å; P261-K264 PolarHBondContact O-N 3.41Å; P261-T265 PolarHBondContact O-N 2.56Å
262F79.5Confident77.9Confident5 Ų556.2 Ų56.22%0.02228%0.282CS..Hα-helixtrans-57.6-35.8-171.4-173.2-101.5000114.5L237 L252 N256 A257 G259 K260 K264 T265 I266 L288L237-F262 HydrophobicContact CD1-CZ 3.99Å; L252-F262 HydrophobicContact CD2-CZ 4.27Å; N256-F262 HydrophobicContact CB-CD2 4.14Å; N256-F262 HydrophobicContact CB-CE2 4.43Å; N256-F262 WeakPolarHBondContact O-CB 3.34Å; A257-F262 HydrophobicContact CB-CD1 4.49Å; A257-F262 HydrophobicContact CB-CD2 4.42Å; A257-F262 HydrophobicContact CB-CE1 4.3Å; A257-F262 HydrophobicContact CB-CE2 4.23Å; A257-F262 HydrophobicContact CB-CZ 4.17Å; G259-F262 PolarHBondContact O-N 3.18Å; K260-F262 PolarHBondContact O-N 3.21Å; F262-K264 PolarHBondContact O-N 3.48Å; F262-T265 PolarHBondContact O-N 3.04Å; F262-T265 PolarHBondContact O-OG1 3.48Å; F262-I266 HydrophobicContact CD1-CG1 3.84Å; F262-I266 HydrophobicContact CE1-CD1 3.99Å; F262-I266 HydrophobicContact CE1-CG1 3.43Å; F262-I266 VanDerWaalsContact CE1-CG1 3.43Å; F262-I266 HydrophobicContact CE2-CD1 4.29Å; F262-I266 HydrophobicContact CE2-CG1 4.19Å; F262-I266 HydrophobicContact CG-CG1 4.37Å; F262-I266 HydrophobicContact CZ-CD1 3.72Å; F262-I266 HydrophobicContact CZ-CG1 3.64Å; F262-I266 WeakPolarHBondContact O-CB 3.39Å; F262-I266 WeakPolarHBondContact O-CG1 3.38Å; F262-I266 PolarHBondContact O-N 3.17Å; F262-L288 HydrophobicContact CD1-CD2 3.8Å; F262-L288 HydrophobicContact CE1-CD1 3.79Å; F262-L288 HydrophobicContact CE1-CD2 3.57Å; F262-L288 HydrophobicContact CE1-CG 4.37Å; F262-L288 HydrophobicContact CZ-CD1 4.47Å
263D76.4Confident77.7Confident32 Ų3257.3 Ų57.317%0.17129%0.288CS..Hα-helixtrans-74.5-8.6176.772.5-61.6000113.6P261 R267 R292P261-D263 VanDerWaalsContact C-N 3.3Å; P261-D263 PolarHBondContact O-N 2.72Å; D263-R267 WeakPolarHBondContact O-CB 3.35Å; D263-R267 VanDerWaalsContact O-CG 3.24Å; D263-R267 WeakPolarHBondContact O-CG 3.41Å; D263-R267 VanDerWaalsContact O-CZ 3.31Å; D263-R267 PolarHBondContact O-N 3.39Å; D263-R267 PolarHBondContact O-NH1 2.69Å; D263-R267 IonicContact OD2-CZ 3.38Å; D263-R267 IonicContact OD2-NH1 2.66Å; D263-R267 PolarHBondContact OD2-NH1 3.21Å; D263-R267 IonicContact OD2-NH2 3.48Å; D263-R267 PolarHBondContact OD2-NH2 3.23Å; D263-R292 IonicContact OD1-CZ 2.95Å; D263-R292 VanDerWaalsContact OD1-CZ 3.29Å; D263-R292 IonicContact OD1-NH1 2.72Å; D263-R292 PolarHBondContact OD1-NH1 3.01Å; D263-R292 IonicContact OD1-NH2 2.8Å; D263-R292 PolarHBondContact OD1-NH2 3.03Å; D263-R292 IonicContact OD2-NH2 3.66Å
264K77.1Confident77.5Confident153 Ų15359.5 Ų59.567%0.66529%0.291SS*.Hα-helixtrans-85.3-42.7168.2-61.7-174.7178.6-178.40111.5P261 F262 R267 H268P261-K264 WeakPolarHBondContact O-CA 3.34Å; P261-K264 WeakPolarHBondContact O-CB 3.45Å; P261-K264 PolarHBondContact O-N 3.41Å; F262-K264 PolarHBondContact O-N 3.48Å; K264-R267 PolarHBondContact O-N 3.09Å; K264-H268 WeakPolarHBondContact O-CB 3.34Å; K264-H268 PolarHBondContact O-N 3.13Å
265T79.3Confident76.9Confident40 Ų4060.5 Ų60.525%0.24529%0.294CS..Hα-helixtrans-65.8-47.117656.10000110.8P261 F262 R267 H268 Y269P261-T265 PolarHBondContact O-N 2.56Å; F262-T265 PolarHBondContact O-N 3.04Å; F262-T265 PolarHBondContact O-OG1 3.48Å; T265-R267 VanDerWaalsContact C-N 3.31Å; T265-R267 PolarHBondContact O-N 3.4Å; T265-H268 PolarHBondContact O-N 3.5Å; T265-Y269 WeakPolarHBondContact O-CD2 3.22Å; T265-Y269 PolarHBondContact O-N 3.07Å
266I79.8Confident76.4Confident9 Ų961.1 Ų61.15%0.04630%0.297CS..Hα-helixtrans-58.4-40174.7-67-63000112.2L252 F262 L270 V285L252-I266 HydrophobicContact CD2-CD1 3.76Å; F262-I266 HydrophobicContact CD1-CG1 3.84Å; F262-I266 HydrophobicContact CE1-CD1 3.99Å; F262-I266 HydrophobicContact CE1-CG1 3.43Å; F262-I266 VanDerWaalsContact CE1-CG1 3.43Å; F262-I266 HydrophobicContact CE2-CD1 4.29Å; F262-I266 HydrophobicContact CE2-CG1 4.19Å; F262-I266 HydrophobicContact CG-CG1 4.37Å; F262-I266 HydrophobicContact CZ-CD1 3.72Å; F262-I266 HydrophobicContact CZ-CG1 3.64Å; F262-I266 WeakPolarHBondContact O-CB 3.39Å; F262-I266 WeakPolarHBondContact O-CG1 3.38Å; F262-I266 PolarHBondContact O-N 3.17Å; I266-L270 HydrophobicContact CG2-CD1 3.72Å; I266-L270 HydrophobicContact CG2-CG 4.37Å; I266-L270 WeakPolarHBondContact O-CB 3.46Å; I266-L270 VanDerWaalsContact O-CG 3.28Å; I266-L270 WeakPolarHBondContact O-CG 3.21Å; I266-L270 PolarHBondContact O-N 2.89Å; I266-V285 HydrophobicContact CG2-CG1 3.98Å; I266-V285 HydrophobicContact CG2-CG2 4.24Å
267R77.5Confident76.1Confident107 Ų10759.9 Ų59.940%0.40429%0.29SS..Hα-helixtrans-66.5-44.3172.4-77.8-176.2-151.8101.511.8112D263 K264 T265 Y269 L270 D271D263-R267 WeakPolarHBondContact O-CB 3.35Å; D263-R267 VanDerWaalsContact O-CG 3.24Å; D263-R267 WeakPolarHBondContact O-CG 3.41Å; D263-R267 VanDerWaalsContact O-CZ 3.31Å; D263-R267 PolarHBondContact O-N 3.39Å; D263-R267 PolarHBondContact O-NH1 2.69Å; D263-R267 IonicContact OD2-CZ 3.38Å; D263-R267 IonicContact OD2-NH1 2.66Å; D263-R267 PolarHBondContact OD2-NH1 3.21Å; D263-R267 IonicContact OD2-NH2 3.48Å; D263-R267 PolarHBondContact OD2-NH2 3.23Å; K264-R267 PolarHBondContact O-N 3.09Å; T265-R267 VanDerWaalsContact C-N 3.31Å; T265-R267 PolarHBondContact O-N 3.4Å; R267-Y269 VanDerWaalsContact C-N 3.31Å; R267-Y269 PolarHBondContact O-N 2.94Å; R267-L270 PolarHBondContact O-N 3.14Å; R267-D271 WeakPolarHBondContact O-CB 3.3Å; R267-D271 PolarHBondContact O-N 3.35Å
268H76.2Confident75.7Confident139 Ų13962 Ų6264%0.64431%0.312SS*.Hα-helixtrans-57.8-41.9-179.1-17556.6000112.7K264 T265 P272K264-H268 WeakPolarHBondContact O-CB 3.34Å; K264-H268 PolarHBondContact O-N 3.13Å; T265-H268 PolarHBondContact O-N 3.5Å; H268-P272 VanDerWaalsContact O-CD 3.25Å; H268-P272 WeakPolarHBondContact O-CD 2.72Å
269Y77.3Confident75.5Confident89 Ų8965.2 Ų65.235%0.34934%0.341SS..Hα-helixtrans-76.8-35176.7-60.6-59000114.1L247 D251 T265 R267L247-Y269 HydrophobicContact CD2-CD2 4.43Å; L247-Y269 HydrophobicContact CD2-CG 4.26Å; D251-Y269 WeakPolarHBondContact OD2-CE2 3.38Å; D251-Y269 PolarHBondContact OD2-OH 3.11Å; T265-Y269 WeakPolarHBondContact O-CD2 3.22Å; T265-Y269 PolarHBondContact O-N 3.07Å; R267-Y269 VanDerWaalsContact C-N 3.31Å; R267-Y269 PolarHBondContact O-N 2.94Å
270L77.3Confident75.7Confident2 Ų267.9 Ų67.91%0.0135%0.348CS..Hα-helixtrans-93.1-25.3-172.9-64.8-174.4000114.6L247 I266 R267 L273 W274 L277 V285L247-L270 HydrophobicContact CD1-CD2 4.25Å; L247-L270 HydrophobicContact CD2-CD2 3.88Å; L247-L270 HydrophobicContact CD2-CG 4.45Å; L247-L270 HydrophobicContact CG-CD2 4.36Å; I266-L270 HydrophobicContact CG2-CD1 3.72Å; I266-L270 HydrophobicContact CG2-CG 4.37Å; I266-L270 WeakPolarHBondContact O-CB 3.46Å; I266-L270 VanDerWaalsContact O-CG 3.28Å; I266-L270 WeakPolarHBondContact O-CG 3.21Å; I266-L270 PolarHBondContact O-N 2.89Å; R267-L270 PolarHBondContact O-N 3.14Å; L270-L273 CarbonylContact O-C 3.55Å; L270-L273 PolarHBondContact O-N 2.67Å; L270-L273 VanDerWaalsContact O-N 3.11Å; L270-W274 HydrophobicContact CB-CE3 3.9Å; L270-W274 HydrophobicContact CB-CZ3 4.05Å; L270-W274 HydrophobicContact CD1-CZ3 4.32Å; L270-W274 VanDerWaalsContact O-CA 3.31Å; L270-W274 WeakPolarHBondContact O-CA 3.49Å; L270-W274 WeakPolarHBondContact O-CB 3.45Å; L270-W274 PolarHBondContact O-N 3.22Å; L270-L277 HydrophobicContact CB-CD1 3.94Å; L270-L277 HydrophobicContact CD1-CD1 4.23Å; L270-L277 HydrophobicContact CD2-CD1 3.98Å; L270-L277 HydrophobicContact CD2-CD2 4.45Å; L270-L277 HydrophobicContact CG-CD1 4.28Å; L270-V285 HydrophobicContact CD1-CG2 3.63Å
271D73.7Confident76.1Confident109 Ų10964.1 Ų64.158%0.58333%0.332SS*.G310 helixtrans-57-46.2179.1-170.574.3000112.4R267 L273 W274R267-D271 WeakPolarHBondContact O-CB 3.3Å; R267-D271 PolarHBondContact O-N 3.35Å; D271-L273 PolarHBondContact O-N 3.35Å; D271-W274 WeakPolarHBondContact O-CB 3.31Å; D271-W274 PolarHBondContact O-N 3.48Å
272P69.9Low76.5Confident53 Ų5363.1 Ų63.134%0.34432%0.32SS..G310 helixtrans-66.7-10177.4-20.534.9000115.1H268H268-P272 VanDerWaalsContact O-CD 3.25Å; H268-P272 WeakPolarHBondContact O-CD 2.72Å
273L68.4Low76.7Confident40 Ų4064.3 Ų64.321%0.20933%0.328CS..G310 helixtrans-1192.9176.5-64.9176000112.3L270 D271 H275 Q276 L277 K765L270-L273 CarbonylContact O-C 3.55Å; L270-L273 PolarHBondContact O-N 2.67Å; L270-L273 VanDerWaalsContact O-N 3.11Å; D271-L273 PolarHBondContact O-N 3.35Å; L273-H275 PolarHBondContact O-N 3.38Å; L273-Q276 PolarHBondContact O-N 2.9Å; L273-L277 PolarHBondContact O-N 2.8Å; L273-K765 HydrophobicContact CD2-CD 4.07Å; L273-K765 HydrophobicContact CD2-CG 4.42Å
274W74.7Confident77.2Confident84 Ų8462.8 Ų62.832%0.31832%0.32SS..THydrogen-bonded Turntrans-59.6-29.1-163.5-166.1-105.1000113L270 D271 L277 K282 V285L270-W274 HydrophobicContact CB-CE3 3.9Å; L270-W274 HydrophobicContact CB-CZ3 4.05Å; L270-W274 HydrophobicContact CD1-CZ3 4.32Å; L270-W274 VanDerWaalsContact O-CA 3.31Å; L270-W274 WeakPolarHBondContact O-CA 3.49Å; L270-W274 WeakPolarHBondContact O-CB 3.45Å; L270-W274 PolarHBondContact O-N 3.22Å; D271-W274 WeakPolarHBondContact O-CB 3.31Å; D271-W274 PolarHBondContact O-N 3.48Å; W274-L277 HydrophobicContact CD2-CD1 4.43Å; W274-L277 HydrophobicContact CE3-CD1 3.75Å; W274-L277 HydrophobicContact CZ3-CD1 4.22Å; W274-K282 HydrophobicContact CH2-CG 4.42Å; W274-K282 HydrophobicContact CZ2-CG 4.03Å; W274-K282 WeakPolarHBondContact O-CE 3.17Å; W274-K282 PolarHBondContact O-NZ 3.22Å; W274-V285 HydrophobicContact CH2-CB 4.38Å; W274-V285 HydrophobicContact CH2-CG1 4.09Å; W274-V285 HydrophobicContact CZ3-CG1 4.35Å
275H71.3Confident77.6Confident79 Ų7956.5 Ų56.537%0.36630%0.295SS..THydrogen-bonded Turntrans-77.3-27.5178.6-68.3-104.3000113.3L273 S730 I733L273-H275 PolarHBondContact O-N 3.38Å; H275-S730 WeakPolarHBondContact CD2-CB 3.44Å; H275-S730 PolarHBondContact CE1-O 3.04Å; H275-S730 VanDerWaalsContact CE1-O 3.25Å; H275-S730 PolarHBondContact ND1-O 3.06Å; H275-I733 HydrophobicContact CB-CB 4.34Å; H275-I733 HydrophobicContact CB-CD1 3.95Å; H275-I733 HydrophobicContact CB-CG2 4.12Å
276Q69.6Low77.8Confident95 Ų9559.3 Ų59.344%0.44431%0.305SS..THydrogen-bonded Turntrans-80.8-25.4174.9-61.3-173.6-13.100112.5L273 G278 P766L273-Q276 PolarHBondContact O-N 2.9Å; Q276-G278 PolarHBondContact O-N 3.05Å; Q276-P766 PolarHBondContact NE2-O 2.82Å
277L76.1Confident78.1Confident16 Ų1659 Ų598%0.08430%0.303CS..SBendtrans-61.1128178.9-69.1-179.8000112.8N244 L270 L273 W274 T281 K282N244-L277 WeakPolarHBondContact OD1-CD2 3.36Å; L270-L277 HydrophobicContact CB-CD1 3.94Å; L270-L277 HydrophobicContact CD1-CD1 4.23Å; L270-L277 HydrophobicContact CD2-CD1 3.98Å; L270-L277 HydrophobicContact CD2-CD2 4.45Å; L270-L277 HydrophobicContact CG-CD1 4.28Å; L273-L277 PolarHBondContact O-N 2.8Å; W274-L277 HydrophobicContact CD2-CD1 4.43Å; W274-L277 HydrophobicContact CE3-CD1 3.75Å; W274-L277 HydrophobicContact CZ3-CD1 4.22Å; L277-T281 WeakPolarHBondContact CB-OG1 3.45Å; L277-K282 HydrophobicContact CB-CG 4.42Å; L277-K282 WeakPolarHBondContact O-CE 3.45Å; L277-K282 PolarHBondContact O-NZ 2.81Å
278G75.5Confident78.5Confident46 Ų4654.3 Ų54.347%0.47429%0.286SS..  trans-68.4156.4176.800000113.2Q276 K280 T281 K282Q276-G278 PolarHBondContact O-N 3.05Å; G278-K280 VanDerWaalsContact C-N 3.28Å; G278-K280 PolarHBondContact O-N 3.48Å; G278-K280 VanDerWaalsContact O-N 3.16Å; G278-T281 PolarHBondContact O-N 2.83Å; G278-T281 PolarHBondContact O-OG1 3.09Å; G278-K282 PolarHBondContact O-N 2.67Å
279A79.6Confident79.1Confident83 Ų8351.8 Ų51.869%0.68627%0.274SS*.Hα-helixtrans-53.3-39.9-175.100000113.8T281 K282 S283A279-T281 PolarHBondContact O-N 2.82Å; A279-K282 PolarHBondContact O-N 2.8Å; A279-S283 PolarHBondContact O-N 3.36Å; A279-S283 PolarHBondContact O-OG 3.35Å
280K82.1Confident79.6Confident71 Ų7149.4 Ų49.431%0.30927%0.266SS..Hα-helixtrans-59-40176.4173.569.5-167.7-153.40113.1E239 G278 S283 L284 S324E239-K280 WeakPolarHBondContact OE1-CE 3.26Å; E239-K280 IonicContact OE1-NZ 3.27Å; E239-K280 PolarHBondContact OE1-NZ 2.78Å; E239-K280 WeakPolarHBondContact OE2-CE 3.37Å; E239-K280 IonicContact OE2-NZ 2.6Å; E239-K280 PolarHBondContact OE2-NZ 2.84Å; G278-K280 VanDerWaalsContact C-N 3.28Å; G278-K280 PolarHBondContact O-N 3.48Å; G278-K280 VanDerWaalsContact O-N 3.16Å; K280-S283 PolarHBondContact O-OG 2.72Å; K280-S283 VanDerWaalsContact O-OG 3.07Å; K280-L284 WeakPolarHBondContact O-CB 3.35Å; K280-L284 PolarHBondContact O-N 3.39Å; K280-S324 PolarHBondContact NZ-O 2.91Å
281T82.2Confident80.2Confident10 Ų1049.3 Ų49.36%0.06127%0.266CS..Hα-helixtrans-71.7-34.3177.8580000112H243 L277 G278 A279 L284 V285H243-T281 HydrophobicContact CB-CG2 3.69Å; L277-T281 WeakPolarHBondContact CB-OG1 3.45Å; G278-T281 PolarHBondContact O-N 2.83Å; G278-T281 PolarHBondContact O-OG1 3.09Å; A279-T281 PolarHBondContact O-N 2.82Å; T281-L284 PolarHBondContact O-N 3.09Å; T281-V285 WeakPolarHBondContact O-CG2 3.5Å; T281-V285 PolarHBondContact O-N 3.42Å
282K83.4Confident80.9Confident64 Ų6446 Ų4628%0.27825%0.245SC..Hα-helixtrans-66.8-44.5175.1-73.7165.9169.5147.50112.4W274 L277 G278 A279 Q286W274-K282 HydrophobicContact CH2-CG 4.42Å; W274-K282 HydrophobicContact CZ2-CG 4.03Å; W274-K282 WeakPolarHBondContact O-CE 3.17Å; W274-K282 PolarHBondContact O-NZ 3.22Å; L277-K282 HydrophobicContact CB-CG 4.42Å; L277-K282 WeakPolarHBondContact O-CE 3.45Å; L277-K282 PolarHBondContact O-NZ 2.81Å; G278-K282 PolarHBondContact O-N 2.67Å; A279-K282 PolarHBondContact O-N 2.8Å; K282-Q286 PolarHBondContact O-N 2.73Å
283S84.1Confident81.8Confident29 Ų2945.4 Ų45.420%0.20324%0.241CC..Hα-helixtrans-64.3-43.5173.5570000111A279 K280 V285 Q286 D287A279-S283 PolarHBondContact O-N 3.36Å; A279-S283 PolarHBondContact O-OG 3.35Å; K280-S283 PolarHBondContact O-OG 2.72Å; K280-S283 VanDerWaalsContact O-OG 3.07Å; S283-V285 VanDerWaalsContact C-N 3.35Å; S283-V285 PolarHBondContact O-N 3.14Å; S283-Q286 CarbonylContact O-C 3.23Å; S283-Q286 WeakPolarHBondContact O-CA 3.28Å; S283-Q286 WeakPolarHBondContact O-CB 3.25Å; S283-Q286 PolarHBondContact O-N 3.49Å; S283-D287 WeakPolarHBondContact O-CB 3.38Å; S283-D287 PolarHBondContact O-N 3.15Å
284L85.4Confident82.9Confident0 Ų043.8 Ų43.80%023%0.232CC..Hα-helixtrans-60.7-36.7179.3-167.962000114C236 E239 L240 K280 T281 L288C236-L284 HydrophobicContact CB-CD1 3.66Å; E239-L284 HydrophobicContact CB-CD2 3.94Å; E239-L284 HydrophobicContact CG-CD2 3.93Å; L240-L284 HydrophobicContact CB-CD2 3.79Å; L240-L284 HydrophobicContact CB-CG 4.42Å; L240-L284 HydrophobicContact CD1-CD2 4.28Å; K280-L284 WeakPolarHBondContact O-CB 3.35Å; K280-L284 PolarHBondContact O-N 3.39Å; T281-L284 PolarHBondContact O-N 3.09Å; L284-L288 WeakPolarHBondContact O-CB 3.36Å; L284-L288 PolarHBondContact O-N 3.17Å
285V85.7Confident83.7Confident22 Ų2240 Ų4013%0.13322%0.219CC..Hα-helixtrans-67.9-37.2173.21700000111.9L240 I266 L270 W274 T281 S283 K289L240-V285 HydrophobicContact CD1-CG2 3.89Å; L240-V285 HydrophobicContact CD2-CG2 4.42Å; I266-V285 HydrophobicContact CG2-CG1 3.98Å; I266-V285 HydrophobicContact CG2-CG2 4.24Å; L270-V285 HydrophobicContact CD1-CG2 3.63Å; W274-V285 HydrophobicContact CH2-CB 4.38Å; W274-V285 HydrophobicContact CH2-CG1 4.09Å; W274-V285 HydrophobicContact CZ3-CG1 4.35Å; T281-V285 WeakPolarHBondContact O-CG2 3.5Å; T281-V285 PolarHBondContact O-N 3.42Å; S283-V285 VanDerWaalsContact C-N 3.35Å; S283-V285 PolarHBondContact O-N 3.14Å; V285-K289 PolarHBondContact O-N 3.13Å; V285-K289 VanDerWaalsContact O-N 3.16Å
286Q84.6Confident84.5Confident98 Ų9839.1 Ų39.146%0.45821%0.214SC..Hα-helixtrans-71.8-39.3175.1175.862.910.100111.8K282 S283 K289 I290K282-Q286 PolarHBondContact O-N 2.73Å; S283-Q286 CarbonylContact O-C 3.23Å; S283-Q286 WeakPolarHBondContact O-CA 3.28Å; S283-Q286 WeakPolarHBondContact O-CB 3.25Å; S283-Q286 PolarHBondContact O-N 3.49Å; Q286-K289 WeakPolarHBondContact O-CB 3.45Å; Q286-K289 PolarHBondContact O-N 3.37Å; Q286-I290 HydrophobicContact CG-CD1 4.25Å; Q286-I290 WeakPolarHBondContact O-CG1 3.42Å; Q286-I290 PolarHBondContact O-N 2.83Å
287D85.5Confident85.4Confident3 Ų337.3 Ų37.32%0.01620%0.204CC..Hα-helixtrans-63-41.8173.9-77.1-48.2000111.1S283 K289 I290 L291 S324 W326S283-D287 WeakPolarHBondContact O-CB 3.38Å; S283-D287 PolarHBondContact O-N 3.15Å; D287-K289 VanDerWaalsContact C-N 3.33Å; D287-K289 PolarHBondContact O-N 3.38Å; D287-I290 WeakPolarHBondContact O-CB 3.37Å; D287-I290 PolarHBondContact O-N 3.39Å; D287-I290 VanDerWaalsContact O-N 3.11Å; D287-L291 WeakPolarHBondContact O-CB 3.41Å; D287-L291 WeakPolarHBondContact O-CG 3.42Å; D287-L291 PolarHBondContact O-N 2.9Å; D287-S324 WeakPolarHBondContact OD2-CB 3.43Å; D287-S324 PolarHBondContact OD2-N 2.93Å; D287-S324 PolarHBondContact OD2-OG 2.96Å; D287-W326 VanDerWaalsContact CG-CD1 3.45Å; D287-W326 VanDerWaalsContact CG-NE1 3.3Å; D287-W326 PolarHBondContact OD1-NE1 3.41Å
288L86.6Confident86Confident8 Ų836.7 Ų36.74%0.04220%0.2CC..Hα-helixtrans-58.9-44173-162.9162.9000111.2L233 L237 L240 F262 L284 I290 L291 R292L233-L288 HydrophobicContact CD1-CD2 4.05Å; L233-L288 HydrophobicContact CD1-CG 3.76Å; L237-L288 HydrophobicContact CD1-CD1 4.3Å; L240-L288 HydrophobicContact CD2-CD1 4.23Å; F262-L288 HydrophobicContact CD1-CD2 3.8Å; F262-L288 HydrophobicContact CE1-CD1 3.79Å; F262-L288 HydrophobicContact CE1-CD2 3.57Å; F262-L288 HydrophobicContact CE1-CG 4.37Å; F262-L288 HydrophobicContact CZ-CD1 4.47Å; L284-L288 WeakPolarHBondContact O-CB 3.36Å; L284-L288 PolarHBondContact O-N 3.17Å; L288-I290 VanDerWaalsContact C-N 3.33Å; L288-I290 PolarHBondContact O-N 2.96Å; L288-L291 PolarHBondContact O-N 3.33Å; L288-R292 WeakPolarHBondContact O-CB 3.36Å; L288-R292 PolarHBondContact O-N 3.42Å
289K87.3Confident86.6Confident87 Ų8735 Ų3538%0.37818%0.182SC..Hα-helixtrans-59.8-42.1173.7-175.9-173.9174.7-1730111.7V285 Q286 D287 T293V285-K289 PolarHBondContact O-N 3.13Å; V285-K289 VanDerWaalsContact O-N 3.16Å; Q286-K289 WeakPolarHBondContact O-CB 3.45Å; Q286-K289 PolarHBondContact O-N 3.37Å; D287-K289 VanDerWaalsContact C-N 3.33Å; D287-K289 PolarHBondContact O-N 3.38Å; K289-T293 WeakPolarHBondContact O-CB 3.46Å; K289-T293 PolarHBondContact O-N 3.47Å; K289-T293 VanDerWaalsContact O-N 3.15Å; K289-T293 PolarHBondContact O-OG1 3.45Å
290I88.9Confident86.9Confident38 Ų3831.5 Ų31.520%0.19515%0.151CC..Hα-helixtrans-64.7-49.6177-68.1164.2000110.6Q286 D287 L288 R292 T293 L294 L313 W326Q286-I290 HydrophobicContact CG-CD1 4.25Å; Q286-I290 WeakPolarHBondContact O-CG1 3.42Å; Q286-I290 PolarHBondContact O-N 2.83Å; D287-I290 WeakPolarHBondContact O-CB 3.37Å; D287-I290 PolarHBondContact O-N 3.39Å; D287-I290 VanDerWaalsContact O-N 3.11Å; L288-I290 VanDerWaalsContact C-N 3.33Å; L288-I290 PolarHBondContact O-N 2.96Å; I290-R292 PolarHBondContact O-N 3.13Å; I290-T293 CarbonylContact O-C 3.56Å; I290-T293 WeakPolarHBondContact O-CB 3.4Å; I290-T293 PolarHBondContact O-N 2.76Å; I290-T293 VanDerWaalsContact O-N 3.11Å; I290-L294 WeakPolarHBondContact O-CB 3.4Å; I290-L294 PolarHBondContact O-N 3.21Å; I290-L313 HydrophobicContact CG2-CD1 4.35Å; I290-L313 HydrophobicContact CG2-CD2 4.07Å; I290-W326 HydrophobicContact CG2-CZ2 4.36Å
291L89.2Confident87Confident0 Ų028.7 Ų28.70%014%0.138CC..Hα-helixtrans-58.1-46.8179.2-75160.3000112.5I229 I232 L233 D287 L288 T293 L294 L295 W326I229-L291 HydrophobicContact CG2-CD2 4.37Å; I232-L291 HydrophobicContact CB-CD2 4.26Å; I232-L291 HydrophobicContact CG2-CD1 3.79Å; I232-L291 HydrophobicContact CG2-CD2 3.71Å; I232-L291 HydrophobicContact CG2-CG 4.43Å; L233-L291 HydrophobicContact CD1-CB 4.41Å; D287-L291 WeakPolarHBondContact O-CB 3.41Å; D287-L291 WeakPolarHBondContact O-CG 3.42Å; D287-L291 PolarHBondContact O-N 2.9Å; L288-L291 PolarHBondContact O-N 3.33Å; L291-T293 VanDerWaalsContact C-N 3.28Å; L291-T293 PolarHBondContact O-N 2.76Å; L291-L294 PolarHBondContact O-N 2.72Å; L291-L295 WeakPolarHBondContact O-CB 3.5Å; L291-L295 PolarHBondContact O-N 3.01Å; L291-W326 HydrophobicContact CD2-CD2 4.32Å; L291-W326 HydrophobicContact CD2-CE3 3.92Å; L291-W326 HydrophobicContact CD2-CH2 3.98Å; L291-W326 HydrophobicContact CD2-CZ2 4.4Å; L291-W326 HydrophobicContact CD2-CZ3 3.72Å
292R89Confident87.3Confident39 Ų3928.3 Ų28.315%0.14714%0.136CC..Hα-helixtrans-61.9-37175.6-168.7-171.968.5168-2112A257 G259 K260 D263 L288 I290 Q296A257-R292 VanDerWaalsContact O-CD 3.26Å; A257-R292 WeakPolarHBondContact O-CD 3.36Å; G259-R292 PolarHBondContact O-NH1 3Å; K260-R292 PolarHBondContact O-NH1 2.84Å; D263-R292 IonicContact OD1-CZ 2.95Å; D263-R292 VanDerWaalsContact OD1-CZ 3.29Å; D263-R292 IonicContact OD1-NH1 2.72Å; D263-R292 PolarHBondContact OD1-NH1 3.01Å; D263-R292 IonicContact OD1-NH2 2.8Å; D263-R292 PolarHBondContact OD1-NH2 3.03Å; D263-R292 IonicContact OD2-NH2 3.66Å; L288-R292 WeakPolarHBondContact O-CB 3.36Å; L288-R292 PolarHBondContact O-N 3.42Å; I290-R292 PolarHBondContact O-N 3.13Å; R292-Q296 PolarHBondContact O-N 2.95Å
293T89.6Confident87.5Confident42 Ų4225.3 Ų25.326%0.25812%0.123SC..Hα-helixtrans-72-39.3177.9-50.50000111.4K289 I290 L291 L295 Q296 Y297K289-T293 WeakPolarHBondContact O-CB 3.46Å; K289-T293 PolarHBondContact O-N 3.47Å; K289-T293 VanDerWaalsContact O-N 3.15Å; K289-T293 PolarHBondContact O-OG1 3.45Å; I290-T293 CarbonylContact O-C 3.56Å; I290-T293 WeakPolarHBondContact O-CB 3.4Å; I290-T293 PolarHBondContact O-N 2.76Å; I290-T293 VanDerWaalsContact O-N 3.11Å; L291-T293 VanDerWaalsContact C-N 3.28Å; L291-T293 PolarHBondContact O-N 2.76Å; T293-L295 VanDerWaalsContact C-N 3.34Å; T293-L295 PolarHBondContact O-N 3.05Å; T293-Q296 PolarHBondContact O-N 3.15Å; T293-Y297 HydrophobicContact CG2-CD2 4.03Å; T293-Y297 HydrophobicContact CG2-CE1 4.12Å; T293-Y297 HydrophobicContact CG2-CE2 3.49Å; T293-Y297 VanDerWaalsContact CG2-CE2 3.49Å; T293-Y297 WeakPolarHBondContact O-CD2 3.49Å; T293-Y297 VanDerWaalsContact O-CG 3.29Å; T293-Y297 PolarHBondContact O-N 2.8Å
294L91Very high87.8Confident5 Ų524 Ų243%0.02611%0.114CC..Hα-helixtrans-63.4-38.7174.4-174.266.8000111.8I229 I290 L291 Y297 L298 F306 L309 M335I229-L294 HydrophobicContact CD1-CD2 4.06Å; I229-L294 HydrophobicContact CD1-CG 4.01Å; I229-L294 HydrophobicContact CG1-CD2 4.39Å; I290-L294 WeakPolarHBondContact O-CB 3.4Å; I290-L294 PolarHBondContact O-N 3.21Å; L291-L294 PolarHBondContact O-N 2.72Å; L294-Y297 PolarHBondContact O-N 3.03Å; L294-L298 PolarHBondContact O-N 2.94Å; L294-F306 HydrophobicContact CD1-CD2 4.39Å; L294-F306 HydrophobicContact CD1-CE2 3.6Å; L294-F306 HydrophobicContact CD1-CZ 3.83Å; L294-F306 HydrophobicContact CG-CE2 4.18Å; L294-F306 HydrophobicContact CG-CZ 4.24Å; L294-L309 HydrophobicContact CD1-CD2 4.16Å; L294-M335 HydrophobicContact CD2-CE 4.32Å; L294-M335 HydrophobicContact CD2-SD 3.86Å
295L90.4Very high87.9Confident6 Ų625.7 Ų25.73%0.03113%0.125CC..Hα-helixtrans-62.5-41.5175.2-168.862.5000112Q226 I229 L230 I258 L291 T293 L298 T614Q226-L295 HydrophobicContact CG-CD1 3.99Å; I229-L295 HydrophobicContact CB-CD1 4.11Å; I229-L295 HydrophobicContact CD1-CD1 4.47Å; I229-L295 HydrophobicContact CG2-CB 4.01Å; I229-L295 HydrophobicContact CG2-CD1 3.9Å; I229-L295 HydrophobicContact CG2-CG 4.42Å; L230-L295 HydrophobicContact CD2-CD2 3.91Å; I258-L295 HydrophobicContact CG1-CD2 4.45Å; L291-L295 WeakPolarHBondContact O-CB 3.5Å; L291-L295 PolarHBondContact O-N 3.01Å; T293-L295 VanDerWaalsContact C-N 3.34Å; T293-L295 PolarHBondContact O-N 3.05Å; L295-L298 WeakPolarHBondContact O-CB 3.46Å; L295-T614 HydrophobicContact CD1-CG2 4.17Å; L295-T614 HydrophobicContact CD2-CG2 3.99Å; L295-T614 HydrophobicContact CG-CG2 4.24Å
296Q88.1Confident88.2Confident59 Ų5924.8 Ų24.828%0.27612%0.119SC..Hα-helixtrans-63.6-49.5172.6164171.5-14.400111.3R292 T293 L298 S299 Q300R292-Q296 PolarHBondContact O-N 2.95Å; T293-Q296 PolarHBondContact O-N 3.15Å; Q296-L298 PolarHBondContact O-N 3.37Å; Q296-S299 PolarHBondContact O-N 3.2Å; Q296-S299 VanDerWaalsContact O-N 3.17Å; Q296-S299 PolarHBondContact O-OG 3.47Å; Q296-Q300 HydrophobicContact CG-CG 4.46Å; Q296-Q300 VanDerWaalsContact NE2-NE2 3.14Å; Q296-Q300 PolarHBondContact O-N 2.93Å
297Y88.9Confident88.5Confident58 Ų5820.1 Ų20.123%0.22710%0.097CC..Hα-helixtrans-64.2-22.2-178.8-66.9-21.8000114.4T293 L294 S299 Y301 L309T293-Y297 HydrophobicContact CG2-CD2 4.03Å; T293-Y297 HydrophobicContact CG2-CE1 4.12Å; T293-Y297 HydrophobicContact CG2-CE2 3.49Å; T293-Y297 VanDerWaalsContact CG2-CE2 3.49Å; T293-Y297 WeakPolarHBondContact O-CD2 3.49Å; T293-Y297 VanDerWaalsContact O-CG 3.29Å; T293-Y297 PolarHBondContact O-N 2.8Å; L294-Y297 PolarHBondContact O-N 3.03Å; Y297-S299 PolarHBondContact O-N 3.49Å; Y297-Y301 HydrophobicContact CD1-CD2 4.17Å; Y297-Y301 AromaticContact CD1-CE1 3.93Å; Y297-Y301 HydrophobicContact CD1-CE1 3.93Å; Y297-Y301 AromaticContact CD1-CE2 3.52Å; Y297-Y301 HydrophobicContact CD1-CE2 3.52Å; Y297-Y301 AromaticContact CD1-CZ 3.38Å; Y297-Y301 HydrophobicContact CD2-CD2 4.23Å; Y297-Y301 AromaticContact CD2-CE2 3.57Å; Y297-Y301 HydrophobicContact CD2-CE2 3.57Å; Y297-Y301 HydrophobicContact CE1-CE1 4.19Å; Y297-Y301 AromaticContact CE1-CE2 3.87Å; Y297-Y301 HydrophobicContact CE1-CE2 3.87Å; Y297-Y301 AromaticContact CE1-CZ 3.44Å; Y297-Y301 VanDerWaalsContact CE1-CZ 3.44Å; Y297-Y301 WeakPolarHBondContact CE1-OH 3.46Å; Y297-Y301 AromaticContact CE2-CE2 3.88Å; Y297-Y301 HydrophobicContact CE2-CE2 3.88Å; Y297-Y301 AromaticContact CG-CD2 3.8Å; Y297-Y301 HydrophobicContact CG-CD2 3.8Å; Y297-Y301 AromaticContact CG-CE2 3.36Å; Y297-Y301 HydrophobicContact CG-CE2 3.36Å; Y297-Y301 AromaticContact CG-CZ 3.78Å; Y297-Y301 AromaticContact CZ-CZ 3.86Å; Y297-Y301 WeakPolarHBondContact O-CB 3.33Å; Y297-Y301 PolarHBondContact O-N 2.99Å; Y297-L309 HydrophobicContact CD2-CD2 3.47Å; Y297-L309 VanDerWaalsContact CD2-CD2 3.47Å; Y297-L309 HydrophobicContact CE2-CD2 3.98Å; Y297-L309 HydrophobicContact CG-CD2 4.5Å
298L89.6Confident88.7Confident2 Ų223.5 Ų23.51%0.0112%0.115CC..Hα-helixtrans-57.2-34.7173.6179.762.9000112.8M222 I225 Q226 L294 L295 Q296 F306M222-L298 HydrophobicContact CE-CG 4.32Å; M222-L298 HydrophobicContact CG-CD1 4.16Å; M222-L298 HydrophobicContact CG-CD2 4.31Å; M222-L298 HydrophobicContact CG-CG 4.09Å; I225-L298 HydrophobicContact CB-CD1 4.09Å; I225-L298 HydrophobicContact CB-CD2 4.3Å; I225-L298 HydrophobicContact CD1-CD1 4.33Å; I225-L298 HydrophobicContact CG2-CD1 3.61Å; I225-L298 HydrophobicContact CG2-CD2 3.88Å; I225-L298 HydrophobicContact CG2-CG 4.35Å; Q226-L298 HydrophobicContact CB-CD2 3.85Å; L294-L298 PolarHBondContact O-N 2.94Å; L295-L298 WeakPolarHBondContact O-CB 3.46Å; Q296-L298 PolarHBondContact O-N 3.37Å; L298-F306 HydrophobicContact CB-CE2 3.9Å; L298-F306 HydrophobicContact CB-CZ 4.4Å; L298-F306 HydrophobicContact CD1-CE1 4.26Å; L298-F306 HydrophobicContact CD1-CE2 4.02Å; L298-F306 HydrophobicContact CD1-CZ 3.85Å
299S86.4Confident88.9Confident11 Ų1125.6 Ų25.68%0.07713%0.126CC..Hα-helixtrans-90.9-36.4-178.763.40000113.5Q296 Y297 N378Q296-S299 PolarHBondContact O-N 3.2Å; Q296-S299 VanDerWaalsContact O-N 3.17Å; Q296-S299 PolarHBondContact O-OG 3.47Å; Y297-S299 PolarHBondContact O-N 3.49Å; S299-N378 PolarHBondContact O-ND2 2.86Å
300Q86.1Confident89Confident10 Ų1021.7 Ų21.75%0.04711%0.109CC..Hα-helixtrans-83.3-34.2-174.8-66.4176.6-46.700114Q296 S412 D413Q296-Q300 HydrophobicContact CG-CG 4.46Å; Q296-Q300 VanDerWaalsContact NE2-NE2 3.14Å; Q296-Q300 PolarHBondContact O-N 2.93Å; Q300-S412 PolarHBondContact NE2-OG 3.13Å; Q300-D413 PolarHBondContact NE2-OD2 3.37Å; Q300-D413 PolarHBondContact OE1-OD2 3.31Å
301Y85.4Confident88.8Confident11 Ų1121.7 Ų21.74%0.04311%0.109CC..SBendtrans-98.1154.3-171.6-67.2-7.9000113.2Y297 R415Y297-Y301 HydrophobicContact CD1-CD2 4.17Å; Y297-Y301 AromaticContact CD1-CE1 3.93Å; Y297-Y301 HydrophobicContact CD1-CE1 3.93Å; Y297-Y301 AromaticContact CD1-CE2 3.52Å; Y297-Y301 HydrophobicContact CD1-CE2 3.52Å; Y297-Y301 AromaticContact CD1-CZ 3.38Å; Y297-Y301 HydrophobicContact CD2-CD2 4.23Å; Y297-Y301 AromaticContact CD2-CE2 3.57Å; Y297-Y301 HydrophobicContact CD2-CE2 3.57Å; Y297-Y301 HydrophobicContact CE1-CE1 4.19Å; Y297-Y301 AromaticContact CE1-CE2 3.87Å; Y297-Y301 HydrophobicContact CE1-CE2 3.87Å; Y297-Y301 AromaticContact CE1-CZ 3.44Å; Y297-Y301 VanDerWaalsContact CE1-CZ 3.44Å; Y297-Y301 WeakPolarHBondContact CE1-OH 3.46Å; Y297-Y301 AromaticContact CE2-CE2 3.88Å; Y297-Y301 HydrophobicContact CE2-CE2 3.88Å; Y297-Y301 AromaticContact CG-CD2 3.8Å; Y297-Y301 HydrophobicContact CG-CD2 3.8Å; Y297-Y301 AromaticContact CG-CE2 3.36Å; Y297-Y301 HydrophobicContact CG-CE2 3.36Å; Y297-Y301 AromaticContact CG-CZ 3.78Å; Y297-Y301 AromaticContact CZ-CZ 3.86Å; Y297-Y301 WeakPolarHBondContact O-CB 3.33Å; Y297-Y301 PolarHBondContact O-N 2.99Å; Y301-R415 PolarHBondContact OH-NH1 3.1Å
302D88.4Confident88.8Confident2 Ų224.6 Ų24.61%0.01113%0.129CC..  trans-68159.6169.259.775.3000112.4V304 T305 F306 W381 Q419 L432 L435D302-V304 VanDerWaalsContact C-N 3.26Å; D302-V304 PolarHBondContact O-N 3.27Å; D302-V304 PolarHBondContact OD1-N 3.2Å; D302-T305 PolarHBondContact O-N 3.42Å; D302-T305 PolarHBondContact O-OG1 2.81Å; D302-T305 WeakPolarHBondContact OD1-CB 3.34Å; D302-T305 WeakPolarHBondContact OD1-CG2 3.45Å; D302-T305 PolarHBondContact OD1-N 3.4Å; D302-T305 PolarHBondContact OD1-OG1 2.76Å; D302-T305 PolarHBondContact OD2-OG1 3.37Å; D302-F306 VanDerWaalsContact O-CB 3.3Å; D302-F306 WeakPolarHBondContact O-CB 3.49Å; D302-F306 PolarHBondContact O-N 3.43Å; D302-W381 HydrophobicContact CB-CH2 3.85Å; D302-W381 HydrophobicContact CB-CZ2 4.33Å; D302-Q419 PolarHBondContact OD2-NE2 3.17Å; D302-L432 HydrophobicContact CB-CD2 3.94Å; D302-L435 HydrophobicContact CB-CD1 4.32Å; D302-L435 WeakPolarHBondContact OD1-CD1 3.47Å; D302-L435 WeakPolarHBondContact OD2-CD1 3.42Å
303C88.3Confident88.5Confident2 Ų224.7 Ų24.71%0.01413%0.132CC..Hα-helixtrans-59.1-33.2-177.454.70000113.5L307 R342 V343 E376C303-L307 VanDerWaalsContact O-CB 3.3Å; C303-L307 WeakPolarHBondContact O-CB 3.42Å; C303-L307 PolarHBondContact O-N 2.8Å; C303-R342 HydrophobicContact CB-CB 3.99Å; C303-V343 HydrophobicContact CB-CG2 4.01Å; C303-V343 WeakPolarHBondContact O-CG2 3.41Å; C303-E376 PolarHBondContact SG-O 3.48Å
304V89.8Confident88.2Confident0 Ų026.3 Ų26.30%013%0.133CC..Hα-helixtrans-73.7-48.8-176.7-179.80000111.2D302 L307 N308 V343 L375 L435 T439 F440D302-V304 VanDerWaalsContact C-N 3.26Å; D302-V304 PolarHBondContact O-N 3.27Å; D302-V304 PolarHBondContact OD1-N 3.2Å; V304-L307 PolarHBondContact O-N 2.87Å; V304-N308 WeakPolarHBondContact O-CB 3.42Å; V304-N308 PolarHBondContact O-N 3.38Å; V304-V343 HydrophobicContact CG2-CG1 4.45Å; V304-L375 HydrophobicContact CG2-CD2 3.62Å; V304-L435 HydrophobicContact CB-CB 4.28Å; V304-L435 HydrophobicContact CG1-CB 4.1Å; V304-T439 HydrophobicContact CG1-CG2 4.25Å; V304-T439 WeakPolarHBondContact CG1-OG1 3.21Å; V304-F440 HydrophobicContact CG1-CE2 4.12Å
305T88.3Confident87.6Confident37 Ų3728.8 Ų28.823%0.22715%0.154CC..Hα-helixtrans-71.9-35.2178.955.70000112D302 N308 L309 L435D302-T305 PolarHBondContact O-N 3.42Å; D302-T305 PolarHBondContact O-OG1 2.81Å; D302-T305 WeakPolarHBondContact OD1-CB 3.34Å; D302-T305 WeakPolarHBondContact OD1-CG2 3.45Å; D302-T305 PolarHBondContact OD1-N 3.4Å; D302-T305 PolarHBondContact OD1-OG1 2.76Å; D302-T305 PolarHBondContact OD2-OG1 3.37Å; T305-N308 PolarHBondContact O-N 2.76Å; T305-L309 WeakPolarHBondContact O-CB 3.36Å; T305-L309 PolarHBondContact O-N 3.17Å; T305-L435 HydrophobicContact CG2-CD1 4.47Å
306F91.3Very high86.9Confident2 Ų231 Ų311%0.00917%0.168CC..Hα-helixtrans-61-46.8170.7-175.3-90.4000111.7I225 L294 L298 D302 L309 L310 A339I225-F306 HydrophobicContact CD1-CE1 4.48Å; I225-F306 HydrophobicContact CG2-CE1 4.31Å; I225-F306 HydrophobicContact CG2-CZ 4.03Å; L294-F306 HydrophobicContact CD1-CD2 4.39Å; L294-F306 HydrophobicContact CD1-CE2 3.6Å; L294-F306 HydrophobicContact CD1-CZ 3.83Å; L294-F306 HydrophobicContact CG-CE2 4.18Å; L294-F306 HydrophobicContact CG-CZ 4.24Å; L298-F306 HydrophobicContact CB-CE2 3.9Å; L298-F306 HydrophobicContact CB-CZ 4.4Å; L298-F306 HydrophobicContact CD1-CE1 4.26Å; L298-F306 HydrophobicContact CD1-CE2 4.02Å; L298-F306 HydrophobicContact CD1-CZ 3.85Å; D302-F306 VanDerWaalsContact O-CB 3.3Å; D302-F306 WeakPolarHBondContact O-CB 3.49Å; D302-F306 PolarHBondContact O-N 3.43Å; F306-L309 PolarHBondContact O-N 2.87Å; F306-L310 HydrophobicContact CE1-CD1 4.01Å; F306-L310 HydrophobicContact CZ-CD1 4.47Å; F306-L310 VanDerWaalsContact O-CB 3.32Å; F306-L310 WeakPolarHBondContact O-CB 3.19Å; F306-L310 PolarHBondContact O-N 2.84Å; F306-A339 HydrophobicContact CD1-CB 4.48Å; F306-A339 HydrophobicContact CE1-CB 4.21Å
307L90.7Very high86Confident0 Ų030.3 Ų30.30%017%0.165CC..Hα-helixtrans-61.9-45.1176178.359.8000111.7C303 V304 L309 L310 E311 A339 R340 V343 Y344 F440C303-L307 VanDerWaalsContact O-CB 3.3Å; C303-L307 WeakPolarHBondContact O-CB 3.42Å; C303-L307 PolarHBondContact O-N 2.8Å; V304-L307 PolarHBondContact O-N 2.87Å; L307-L309 PolarHBondContact O-N 2.73Å; L307-L310 HydrophobicContact CD1-CD2 4.05Å; L307-L310 PolarHBondContact O-N 2.9Å; L307-E311 HydrophobicContact CD1-CG 3.75Å; L307-E311 HydrophobicContact CG-CG 4.18Å; L307-E311 VanDerWaalsContact O-CG 3.27Å; L307-E311 WeakPolarHBondContact O-CG 3.44Å; L307-E311 PolarHBondContact O-N 3.29Å; L307-A339 HydrophobicContact CD1-CB 4.34Å; L307-R340 HydrophobicContact CD1-CG 3.83Å; L307-V343 HydrophobicContact CB-CG2 4.14Å; L307-V343 HydrophobicContact CD2-CB 3.8Å; L307-V343 HydrophobicContact CD2-CG1 4.17Å; L307-V343 HydrophobicContact CD2-CG2 3.7Å; L307-Y344 HydrophobicContact CD2-CE1 3.96Å; L307-F440 HydrophobicContact CD2-CZ 4.25Å
308N90.3Very high84.8Confident74 Ų7436.4 Ų36.440%0.39619%0.193SC..Hα-helixtrans-60.5-43.8178-175.326.9000112.2V304 T305 L310 E311 S312V304-N308 WeakPolarHBondContact O-CB 3.42Å; V304-N308 PolarHBondContact O-N 3.38Å; T305-N308 PolarHBondContact O-N 2.76Å; N308-L310 VanDerWaalsContact C-N 3.33Å; N308-L310 PolarHBondContact O-N 3.49Å; N308-E311 PolarHBondContact O-N 3.12Å; N308-S312 VanDerWaalsContact O-CB 3.3Å; N308-S312 WeakPolarHBondContact O-CB 3.33Å; N308-S312 PolarHBondContact O-N 3.32Å
309L89.8Confident83.3Confident53 Ų5338.2 Ų38.228%0.27721%0.208SC..Hα-helixtrans-58.5-45.117417767.9000111.7L294 Y297 T305 F306 L307 S312 L313L294-L309 HydrophobicContact CD1-CD2 4.16Å; Y297-L309 HydrophobicContact CD2-CD2 3.47Å; Y297-L309 VanDerWaalsContact CD2-CD2 3.47Å; Y297-L309 HydrophobicContact CE2-CD2 3.98Å; Y297-L309 HydrophobicContact CG-CD2 4.5Å; T305-L309 WeakPolarHBondContact O-CB 3.36Å; T305-L309 PolarHBondContact O-N 3.17Å; F306-L309 PolarHBondContact O-N 2.87Å; L307-L309 PolarHBondContact O-N 2.73Å; L309-S312 WeakPolarHBondContact O-CB 3.17Å; L309-S312 PolarHBondContact O-N 2.75Å; L309-L313 PolarHBondContact O-N 2.98Å
310L88.8Confident81.9Confident4 Ų444.2 Ų44.22%0.02123%0.233CC..Hα-helixtrans-71.8-33.7-177.6170.8143.1000112.6F306 L307 N308 L313 R314 M335 F336 A339F306-L310 HydrophobicContact CE1-CD1 4.01Å; F306-L310 HydrophobicContact CZ-CD1 4.47Å; F306-L310 VanDerWaalsContact O-CB 3.32Å; F306-L310 WeakPolarHBondContact O-CB 3.19Å; F306-L310 PolarHBondContact O-N 2.84Å; L307-L310 HydrophobicContact CD1-CD2 4.05Å; L307-L310 PolarHBondContact O-N 2.9Å; N308-L310 VanDerWaalsContact C-N 3.33Å; N308-L310 PolarHBondContact O-N 3.49Å; L310-L313 PolarHBondContact O-N 2.98Å; L310-R314 PolarHBondContact O-N 3Å; L310-M335 HydrophobicContact CD1-CE 3.81Å; L310-M335 HydrophobicContact CD1-CG 3.89Å; L310-M335 HydrophobicContact CD1-SD 3.96Å; L310-F336 HydrophobicContact CD2-CD1 3.32Å; L310-F336 HydrophobicContact CD2-CE1 3.46Å; L310-F336 VanDerWaalsContact CD2-CE1 3.46Å; L310-F336 HydrophobicContact CD2-CG 4.27Å; L310-F336 HydrophobicContact CG-CD1 4.06Å; L310-F336 HydrophobicContact CG-CE1 3.79Å; L310-F336 HydrophobicContact CG-CZ 4.44Å; L310-F336 WeakPolarHBondContact O-CE1 3.4Å; L310-A339 HydrophobicContact CD1-CB 4Å; L310-A339 HydrophobicContact CD2-CB 3.93Å
311E86.8Confident80.6Confident39 Ų3946.6 Ų46.618%0.18226%0.261CS..Hα-helixtrans-74.6-31.9171.3-59.3-127.3124.300112.3L307 N308 R314 A315 R340L307-E311 HydrophobicContact CD1-CG 3.75Å; L307-E311 HydrophobicContact CG-CG 4.18Å; L307-E311 VanDerWaalsContact O-CG 3.27Å; L307-E311 WeakPolarHBondContact O-CG 3.44Å; L307-E311 PolarHBondContact O-N 3.29Å; N308-E311 PolarHBondContact O-N 3.12Å; E311-R314 PolarHBondContact O-N 3.35Å; E311-R314 IonicContact OE1-CZ 3.12Å; E311-R314 VanDerWaalsContact OE1-CZ 3.23Å; E311-R314 IonicContact OE1-NH1 2.84Å; E311-R314 PolarHBondContact OE1-NH1 3.28Å; E311-R314 IonicContact OE1-NH2 2.73Å; E311-R314 PolarHBondContact OE1-NH2 3.49Å; E311-R314 IonicContact OE2-NH2 2.6Å; E311-R314 PolarHBondContact OE2-NH2 3.41Å; E311-R314 VanDerWaalsContact OE2-NH2 3.12Å; E311-A315 PolarHBondContact O-N 3.23Å; E311-A315 VanDerWaalsContact O-N 3.1Å; E311-R340 IonicContact OE1-CZ 2.74Å; E311-R340 VanDerWaalsContact OE1-CZ 3.28Å; E311-R340 IonicContact OE1-NE 2.73Å; E311-R340 PolarHBondContact OE1-NE 2.71Å; E311-R340 IonicContact OE1-NH2 3.23Å; E311-R340 PolarHBondContact OE1-NH2 2.71Å
312S87.8Confident79.2Confident60 Ų6054 Ų5442%0.4230%0.296SS..Hα-helixtrans-63.5-41.3167.9-173.60000111.5N308 L309 R314 A315 T316N308-S312 VanDerWaalsContact O-CB 3.3Å; N308-S312 WeakPolarHBondContact O-CB 3.33Å; N308-S312 PolarHBondContact O-N 3.32Å; L309-S312 WeakPolarHBondContact O-CB 3.17Å; L309-S312 PolarHBondContact O-N 2.75Å; S312-R314 PolarHBondContact O-N 2.92Å; S312-A315 WeakPolarHBondContact O-CA 3.49Å; S312-A315 WeakPolarHBondContact O-CB 3.41Å; S312-A315 PolarHBondContact O-N 3.04Å; S312-T316 PolarHBondContact O-N 3.45Å; S312-T316 VanDerWaalsContact O-N 3.11Å
313L83.8Confident78Confident42 Ų4256.9 Ų56.922%0.2231%0.311CS..Hα-helixtrans-40.5-50.3165.167.664.8000112.9I290 L309 L310 T316I290-L313 HydrophobicContact CG2-CD1 4.35Å; I290-L313 HydrophobicContact CG2-CD2 4.07Å; L309-L313 PolarHBondContact O-N 2.98Å; L310-L313 PolarHBondContact O-N 2.98Å; L313-T316 PolarHBondContact O-OG1 2.6Å
314R82.2Confident76.5Confident75 Ų7557.5 Ų57.528%0.28332%0.315SS..Hα-helixtrans-79.4-18-178.9-168.1-176.363.4-131.5-4113.4L310 E311 S312 F336L310-R314 PolarHBondContact O-N 3Å; E311-R314 PolarHBondContact O-N 3.35Å; E311-R314 IonicContact OE1-CZ 3.12Å; E311-R314 VanDerWaalsContact OE1-CZ 3.23Å; E311-R314 IonicContact OE1-NH1 2.84Å; E311-R314 PolarHBondContact OE1-NH1 3.28Å; E311-R314 IonicContact OE1-NH2 2.73Å; E311-R314 PolarHBondContact OE1-NH2 3.49Å; E311-R314 IonicContact OE2-NH2 2.6Å; E311-R314 PolarHBondContact OE2-NH2 3.41Å; E311-R314 VanDerWaalsContact OE2-NH2 3.12Å; S312-R314 PolarHBondContact O-N 2.92Å; R314-F336 HydrophobicContact CB-CE1 4.05Å; R314-F336 HydrophobicContact CB-CZ 4Å; R314-F336 HydrophobicContact CG-CZ 4.35Å
315A79.8Confident75.5Confident57 Ų5758.8 Ų58.847%0.47133%0.328SS..Hα-helixtrans-80.8-38178.500000112E311 S312 E317 K318E311-A315 PolarHBondContact O-N 3.23Å; E311-A315 VanDerWaalsContact O-N 3.1Å; S312-A315 WeakPolarHBondContact O-CA 3.49Å; S312-A315 WeakPolarHBondContact O-CB 3.41Å; S312-A315 PolarHBondContact O-N 3.04Å; A315-E317 VanDerWaalsContact C-N 3.28Å; A315-E317 PolarHBondContact O-N 3.41Å; A315-K318 PolarHBondContact O-N 2.91Å
316T75.1Confident74.9Confident52 Ų5257.6 Ų57.632%0.31932%0.32SS..Hα-helixtrans-60.7-36.9177.551.30000112.2S312 L313 K318 A319 F320S312-T316 PolarHBondContact O-N 3.45Å; S312-T316 VanDerWaalsContact O-N 3.11Å; L313-T316 PolarHBondContact O-OG1 2.6Å; T316-K318 VanDerWaalsContact C-N 3.32Å; T316-K318 PolarHBondContact O-N 2.8Å; T316-A319 PolarHBondContact O-N 2.7Å; T316-F320 WeakPolarHBondContact O-CD2 3.31Å; T316-F320 PolarHBondContact O-N 3.01Å
317E68.1Low74Confident45 Ų4559 Ų5921%0.2133%0.328CS..Hα-helixtrans-60.3-40.8179.1-60.2-41.998.100113.1A315 A319 G321 N323 L327A315-E317 VanDerWaalsContact C-N 3.28Å; A315-E317 PolarHBondContact O-N 3.41Å; E317-A319 PolarHBondContact O-N 3.3Å; E317-G321 WeakPolarHBondContact O-CA 3.45Å; E317-G321 PolarHBondContact O-N 2.97Å; E317-N323 PolarHBondContact OE1-ND2 2.66Å; E317-N323 VanDerWaalsContact OE2-CB 3.27Å; E317-N323 WeakPolarHBondContact OE2-CB 3.44Å; E317-N323 PolarHBondContact OE2-ND2 3.11Å; E317-L327 HydrophobicContact CG-CD1 3.49Å; E317-L327 VanDerWaalsContact CG-CD1 3.49Å
318K63.8Low73.2Confident186 Ų18667.6 Ų67.681%0.80937%0.365SS*.Hα-helixtrans-67.1-19.4178.5-64.8-173176.6-171.20113A315 T316A315-K318 PolarHBondContact O-N 2.91Å; T316-K318 VanDerWaalsContact C-N 3.32Å; T316-K318 PolarHBondContact O-N 2.8Å
319A57.9Low72.6Confident41 Ų4167 Ų6734%0.33936%0.361SS..Hα-helixtrans-95.8-38.5178.500000113T316 E317T316-A319 PolarHBondContact O-N 2.7Å; E317-A319 PolarHBondContact O-N 3.3Å
320F57.8Low72.1Confident136 Ų13670.9 Ų70.960%0.59638%0.382SS*.Hα-helixtrans-115.8-28.2-168-60.5-68.9000115.5T316 Q322T316-F320 WeakPolarHBondContact O-CD2 3.31Å; T316-F320 PolarHBondContact O-N 3.01Å; F320-Q322 PolarHBondContact O-N 3.14Å
321G57.8Low71.8Confident61 Ų6172.3 Ų72.363%0.62939%0.393SS*.  trans58.728.816800000117.9E317E317-G321 WeakPolarHBondContact O-CA 3.45Å; E317-G321 PolarHBondContact O-N 2.97Å
322Q57.6Low71.7Confident166 Ų16670.4 Ų70.478%0.77638%0.384SS*.  trans-135.231.5-173.1-70.9-165.92.500116.2F320F320-Q322 PolarHBondContact O-N 3.14Å
323N62.1Low71.7Confident63 Ų6370.7 Ų70.734%0.33738%0.383SS..SBendtrans-90.7168.9172.3-61.66.6000112.5E317 G325E317-N323 PolarHBondContact OE1-ND2 2.66Å; E317-N323 VanDerWaalsContact OE2-CB 3.27Å; E317-N323 WeakPolarHBondContact OE2-CB 3.44Å; E317-N323 PolarHBondContact OE2-ND2 3.11Å; N323-G325 PolarHBondContact O-N 3Å; N323-G325 VanDerWaalsContact O-N 3.1Å
324S57.8Low72Confident14 Ų1471 Ų7110%0.09839%0.389CS..  trans-68.8-6-173.262.80000116.1K280 D287K280-S324 PolarHBondContact NZ-O 2.91Å; D287-S324 WeakPolarHBondContact OD2-CB 3.43Å; D287-S324 PolarHBondContact OD2-N 2.93Å; D287-S324 PolarHBondContact OD2-OG 2.96Å
325G68.8Low72.3Confident27 Ų2767.4 Ų67.428%0.27838%0.375SS..SBendtrans98.24.2175.500000115.9N323 L327 F328N323-G325 PolarHBondContact O-N 3Å; N323-G325 VanDerWaalsContact O-N 3.1Å; G325-L327 PolarHBondContact O-N 3.32Å; G325-L327 VanDerWaalsContact O-N 3.1Å; G325-F328 WeakPolarHBondContact O-CB 3.35Å; G325-F328 WeakPolarHBondContact O-CD2 3.28Å; G325-F328 PolarHBondContact O-N 3.33Å
326W75.3Confident72.8Confident12 Ų1265.9 Ų65.95%0.04536%0.358CS..G310 helixtrans-60.1-22.8-177.566.1-91.5000114.9I232 D287 I290 L291 F328 L329 M335I232-W326 HydrophobicContact CD1-CE3 4.26Å; I232-W326 HydrophobicContact CG2-CB 3.83Å; I232-W326 HydrophobicContact CG2-CD2 4.32Å; I232-W326 HydrophobicContact CG2-CE3 3.91Å; I232-W326 HydrophobicContact CG2-CG 4.36Å; D287-W326 VanDerWaalsContact CG-CD1 3.45Å; D287-W326 VanDerWaalsContact CG-NE1 3.3Å; D287-W326 PolarHBondContact OD1-NE1 3.41Å; I290-W326 HydrophobicContact CG2-CZ2 4.36Å; L291-W326 HydrophobicContact CD2-CD2 4.32Å; L291-W326 HydrophobicContact CD2-CE3 3.92Å; L291-W326 HydrophobicContact CD2-CH2 3.98Å; L291-W326 HydrophobicContact CD2-CZ2 4.4Å; L291-W326 HydrophobicContact CD2-CZ3 3.72Å; W326-F328 PolarHBondContact O-N 3.02Å; W326-L329 PolarHBondContact O-N 3.24Å; W326-M335 HydrophobicContact CZ3-CE 4.05Å
327L71.2Confident73.5Confident33 Ų3368.8 Ų68.817%0.17337%0.371CS..G310 helixtrans-73.21.8174.3-65.7167.1000114.2E317 G325 S332 F336E317-L327 HydrophobicContact CG-CD1 3.49Å; E317-L327 VanDerWaalsContact CG-CD1 3.49Å; G325-L327 PolarHBondContact O-N 3.32Å; G325-L327 VanDerWaalsContact O-N 3.1Å; L327-S332 VanDerWaalsContact C-OG 3.29Å; L327-S332 PolarHBondContact O-OG 3.21Å; L327-F336 HydrophobicContact CD2-CE2 3.87Å; L327-F336 HydrophobicContact CD2-CZ 4.05Å
328F74.7Confident74.5Confident179 Ų17968.4 Ų68.479%0.78537%0.37SS*.G310 helixtrans-105.50.7171.9-58.5-66.4000113.5G325 W326G325-F328 WeakPolarHBondContact O-CB 3.35Å; G325-F328 WeakPolarHBondContact O-CD2 3.28Å; G325-F328 PolarHBondContact O-N 3.33Å; W326-F328 PolarHBondContact O-N 3.02Å
329L78.7Confident75.7Confident61 Ų6159.6 Ų59.632%0.31933%0.332SS..SBendtrans-74.8144.4171.5-92.460.9000110.8I232 A235 W326 S331 S332 T333I232-L329 HydrophobicContact CG1-CD2 4.19Å; A235-L329 HydrophobicContact CB-CD2 4.1Å; W326-L329 PolarHBondContact O-N 3.24Å; L329-S331 PolarHBondContact O-N 3.19Å; L329-S332 WeakPolarHBondContact O-CA 3.38Å; L329-S332 VanDerWaalsContact O-CB 3.31Å; L329-S332 WeakPolarHBondContact O-CB 3.38Å; L329-S332 PolarHBondContact O-N 3Å; L329-S332 PolarHBondContact O-OG 3.37Å; L329-T333 PolarHBondContact O-N 3.13Å
330D78.7Confident77.2Confident135 Ų13561.4 Ų61.472%0.72233%0.33SS*.Hα-helixtrans-61-31.5175.1-61.1-57.3000112.9S332 T333 S334D330-S332 PolarHBondContact O-N 3.19Å; D330-T333 PolarHBondContact O-N 3Å; D330-T333 PolarHBondContact O-OG1 2.95Å; D330-S334 PolarHBondContact O-N 3.23Å
331S83.1Confident78.6Confident34 Ų3457.4 Ų57.424%0.23832%0.322CS..Hα-helixtrans-56.5-36.3169.5-50.20000111.8A228 L329 M335A228-S331 WeakPolarHBondContact CB-O 3.18Å; L329-S331 PolarHBondContact O-N 3.19Å; S331-M335 PolarHBondContact O-N 3.48Å
332S83.7Confident80Confident0 Ų054.7 Ų54.70%029%0.293CS..Hα-helixtrans-73-36.7177.9810000112.2L327 L329 D330 M335 F336L327-S332 VanDerWaalsContact C-OG 3.29Å; L327-S332 PolarHBondContact O-OG 3.21Å; L329-S332 WeakPolarHBondContact O-CA 3.38Å; L329-S332 VanDerWaalsContact O-CB 3.31Å; L329-S332 WeakPolarHBondContact O-CB 3.38Å; L329-S332 PolarHBondContact O-N 3Å; L329-S332 PolarHBondContact O-OG 3.37Å; D330-S332 PolarHBondContact O-N 3.19Å; S332-M335 WeakPolarHBondContact O-CB 3.18Å; S332-M335 PolarHBondContact O-N 2.66Å; S332-F336 WeakPolarHBondContact O-CD2 3.35Å; S332-F336 PolarHBondContact O-N 3.48Å
333T87.3Confident81.3Confident66 Ų6646.8 Ų46.841%0.40526%0.256SS..Hα-helixtrans-67.9-40.3176.6700000110.7L329 D330 M335 F336 I337L329-T333 PolarHBondContact O-N 3.13Å; D330-T333 PolarHBondContact O-N 3Å; D330-T333 PolarHBondContact O-OG1 2.95Å; T333-M335 VanDerWaalsContact C-N 3.35Å; T333-M335 PolarHBondContact O-N 3.39Å; T333-F336 PolarHBondContact O-N 3.4Å; T333-I337 WeakPolarHBondContact O-CG1 3.46Å; T333-I337 PolarHBondContact O-N 2.95Å
334S90.3Very high82.2Confident47 Ų4744.9 Ų44.933%0.32924%0.244SC..Hα-helixtrans-56.2-45.6168.5-178.90000112D330 F336 I337 N338D330-S334 PolarHBondContact O-N 3.23Å; S334-F336 PolarHBondContact O-N 3.21Å; S334-I337 PolarHBondContact O-N 2.87Å; S334-N338 WeakPolarHBondContact O-CB 3.41Å; S334-N338 PolarHBondContact O-N 3.4Å; S334-N338 PolarHBondContact O-ND2 3.19Å; S334-N338 PolarHBondContact OG-ND2 2.89Å
335M89.8Confident83.1Confident1 Ų148.2 Ų48.21%0.00526%0.258CS..Hα-helixtrans-58.6-45.5174.6-178.7-174.365.500112.3I225 A228 I229 L294 L310 W326 S331 S332 T333 I337 A339I225-M335 HydrophobicContact CG2-CG 4.08Å; A228-M335 HydrophobicContact CB-CB 4.18Å; I229-M335 HydrophobicContact CD1-SD 4.08Å; I229-M335 HydrophobicContact CG1-SD 3.64Å; L294-M335 HydrophobicContact CD2-CE 4.32Å; L294-M335 HydrophobicContact CD2-SD 3.86Å; L310-M335 HydrophobicContact CD1-CE 3.81Å; L310-M335 HydrophobicContact CD1-CG 3.89Å; L310-M335 HydrophobicContact CD1-SD 3.96Å; W326-M335 HydrophobicContact CZ3-CE 4.05Å; S331-M335 PolarHBondContact O-N 3.48Å; S332-M335 WeakPolarHBondContact O-CB 3.18Å; S332-M335 PolarHBondContact O-N 2.66Å; T333-M335 VanDerWaalsContact C-N 3.35Å; T333-M335 PolarHBondContact O-N 3.39Å; M335-I337 PolarHBondContact O-N 2.95Å; M335-A339 WeakPolarHBondContact O-CB 3.39Å; M335-A339 PolarHBondContact O-N 3.13Å
336F88.6Confident83Confident24 Ų2451.4 Ų51.411%0.10527%0.268CS..Hα-helixtrans-63.2-38.1176.5-81.5-74.6000113.1L310 R314 L327 S332 T333 S334 R340L310-F336 HydrophobicContact CD2-CD1 3.32Å; L310-F336 HydrophobicContact CD2-CE1 3.46Å; L310-F336 VanDerWaalsContact CD2-CE1 3.46Å; L310-F336 HydrophobicContact CD2-CG 4.27Å; L310-F336 HydrophobicContact CG-CD1 4.06Å; L310-F336 HydrophobicContact CG-CE1 3.79Å; L310-F336 HydrophobicContact CG-CZ 4.44Å; L310-F336 WeakPolarHBondContact O-CE1 3.4Å; R314-F336 HydrophobicContact CB-CE1 4.05Å; R314-F336 HydrophobicContact CB-CZ 4Å; R314-F336 HydrophobicContact CG-CZ 4.35Å; L327-F336 HydrophobicContact CD2-CE2 3.87Å; L327-F336 HydrophobicContact CD2-CZ 4.05Å; S332-F336 WeakPolarHBondContact O-CD2 3.35Å; S332-F336 PolarHBondContact O-N 3.48Å; T333-F336 PolarHBondContact O-N 3.4Å; S334-F336 PolarHBondContact O-N 3.21Å; F336-R340 WeakPolarHBondContact O-CD 3.35Å; F336-R340 VanDerWaalsContact O-CG 3.3Å; F336-R340 WeakPolarHBondContact O-CG 3.47Å; F336-R340 PolarHBondContact O-N 3.32Å
337I89.6Confident82Confident114 Ų11453.7 Ų53.759%0.58528%0.284SS*.Hα-helixtrans-67.3-51.8178.4-68.6163.3000110T333 S334 M335 A339 R340 A341T333-I337 WeakPolarHBondContact O-CG1 3.46Å; T333-I337 PolarHBondContact O-N 2.95Å; S334-I337 PolarHBondContact O-N 2.87Å; M335-I337 PolarHBondContact O-N 2.95Å; I337-A339 PolarHBondContact O-N 3.17Å; I337-R340 PolarHBondContact O-N 3.02Å; I337-A341 PolarHBondContact O-N 3Å; I337-A341 VanDerWaalsContact O-N 3.1Å
338N89.8Confident80.8Confident37 Ų3758.6 Ų58.620%0.19831%0.311CS..Hα-helixtrans-62.5-43179.8-72.4-62.5000111.8I225 S334 R340 A341 R342I225-N338 HydrophobicContact CD1-CB 4.05Å; I225-N338 HydrophobicContact CG1-CB 3.69Å; S334-N338 WeakPolarHBondContact O-CB 3.41Å; S334-N338 PolarHBondContact O-N 3.4Å; S334-N338 PolarHBondContact O-ND2 3.19Å; S334-N338 PolarHBondContact OG-ND2 2.89Å; N338-R340 VanDerWaalsContact C-N 3.26Å; N338-R340 PolarHBondContact O-N 2.68Å; N338-A341 PolarHBondContact O-N 3.31Å; N338-R342 WeakPolarHBondContact O-CG 3.35Å; N338-R342 PolarHBondContact O-N 3.14Å
339A89.1Confident79.2Confident1 Ų154.8 Ų54.81%0.00831%0.313CS..Hα-helixtrans-61.6-31.8178.200000113.3I225 F306 L307 L310 M335 I337I225-A339 HydrophobicContact CD1-CB 4.25Å; F306-A339 HydrophobicContact CD1-CB 4.48Å; F306-A339 HydrophobicContact CE1-CB 4.21Å; L307-A339 HydrophobicContact CD1-CB 4.34Å; L310-A339 HydrophobicContact CD1-CB 4Å; L310-A339 HydrophobicContact CD2-CB 3.93Å; M335-A339 WeakPolarHBondContact O-CB 3.39Å; M335-A339 PolarHBondContact O-N 3.13Å; I337-A339 PolarHBondContact O-N 3.17Å
340R89.1Confident77.3Confident78 Ų7861.2 Ų61.229%0.29434%0.338SS..Hα-helixtrans-73.9-41.9174.6-74.8168.8165.4-175.6-10.1112.2L307 E311 F336 I337 N338 R342 V343 Y344L307-R340 HydrophobicContact CD1-CG 3.83Å; E311-R340 IonicContact OE1-CZ 2.74Å; E311-R340 VanDerWaalsContact OE1-CZ 3.28Å; E311-R340 IonicContact OE1-NE 2.73Å; E311-R340 PolarHBondContact OE1-NE 2.71Å; E311-R340 IonicContact OE1-NH2 3.23Å; E311-R340 PolarHBondContact OE1-NH2 2.71Å; F336-R340 WeakPolarHBondContact O-CD 3.35Å; F336-R340 VanDerWaalsContact O-CG 3.3Å; F336-R340 WeakPolarHBondContact O-CG 3.47Å; F336-R340 PolarHBondContact O-N 3.32Å; I337-R340 PolarHBondContact O-N 3.02Å; N338-R340 VanDerWaalsContact C-N 3.26Å; N338-R340 PolarHBondContact O-N 2.68Å; R340-R342 PolarHBondContact O-N 3.06Å; R340-R342 VanDerWaalsContact O-N 3.14Å; R340-V343 PolarHBondContact O-N 3.34Å; R340-Y344 HydrophobicContact CB-CE2 4.32Å; R340-Y344 PolarHBondContact O-N 2.84Å; R340-Y344 VanDerWaalsContact O-O 3.08Å
341A87.5Confident75.2Confident52 Ų5264.4 Ų64.443%0.4335%0.351SS..Hα-helixtrans-59.5-23.8178.800000113.7I337 N338 V343I337-A341 PolarHBondContact O-N 3Å; I337-A341 VanDerWaalsContact O-N 3.1Å; N338-A341 PolarHBondContact O-N 3.31Å; A341-V343 VanDerWaalsContact C-N 3.25Å; A341-V343 PolarHBondContact O-N 2.93Å
342R86.3Confident72.6Confident5 Ų567.5 Ų67.52%0.01937%0.373CS..THydrogen-bonded Turntrans-71.9-9.2173.4-60.3179.574.1-162.20.5115A221 C303 N338 R340 V374 E376A221-R342 HydrophobicContact CB-CG 4Å; C303-R342 HydrophobicContact CB-CB 3.99Å; N338-R342 WeakPolarHBondContact O-CG 3.35Å; N338-R342 PolarHBondContact O-N 3.14Å; R340-R342 PolarHBondContact O-N 3.06Å; R340-R342 VanDerWaalsContact O-N 3.14Å; R342-V374 CarbonylContact C-O 3.56Å; R342-V374 VanDerWaalsContact C-O 3.23Å; R342-E376 HydrophobicContact CB-CB 4.36Å; R342-E376 IonicContact CZ-OE2 3.28Å; R342-E376 IonicContact NE-OE2 3Å; R342-E376 PolarHBondContact NE-OE2 2.88Å; R342-E376 IonicContact NH2-OE2 2.72Å; R342-E376 PolarHBondContact NH2-OE2 3.29Å; R342-E376 PolarHBondContact O-N 3.1Å; R342-E376 VanDerWaalsContact O-N 3.1Å
343V85.1Confident70.5Confident0 Ų076.6 Ų76.60%041%0.412CS..THydrogen-bonded Turntrans-129.6-41.3-174.7-175.80000111.8C303 V304 L307 R340 A341 L373 V374 L375 Y436C303-V343 HydrophobicContact CB-CG2 4.01Å; C303-V343 WeakPolarHBondContact O-CG2 3.41Å; V304-V343 HydrophobicContact CG2-CG1 4.45Å; L307-V343 HydrophobicContact CB-CG2 4.14Å; L307-V343 HydrophobicContact CD2-CB 3.8Å; L307-V343 HydrophobicContact CD2-CG1 4.17Å; L307-V343 HydrophobicContact CD2-CG2 3.7Å; R340-V343 PolarHBondContact O-N 3.34Å; A341-V343 VanDerWaalsContact C-N 3.25Å; A341-V343 PolarHBondContact O-N 2.93Å; V343-L373 WeakPolarHBondContact O-CD1 3.44Å; V343-V374 CarbonylContact C-O 3.57Å; V343-V374 WeakPolarHBondContact CA-O 3.44Å; V343-V374 PolarHBondContact N-O 3.45Å; V343-V374 CarbonylContact O-C 3.53Å; V343-V374 PolarHBondContact O-N 3.48Å; V343-L375 HydrophobicContact CG1-CD2 4.09Å; V343-Y436 HydrophobicContact CG1-CD2 3.94Å; V343-Y436 HydrophobicContact CG1-CE2 4.12Å
344Y81.6Confident68.1Low22 Ų2283.9 Ų83.99%0.08644%0.438CS..EExtended strand (participates in β ladder)trans-148.7140.5175.157.2-98000112.9L307 R340 L346 K371 E372L307-Y344 HydrophobicContact CD2-CE1 3.96Å; R340-Y344 HydrophobicContact CB-CE2 4.32Å; R340-Y344 PolarHBondContact O-N 2.84Å; R340-Y344 VanDerWaalsContact O-O 3.08Å; Y344-L346 HydrophobicContact CD2-CD2 4.13Å; Y344-L346 HydrophobicContact CD2-CG 4.3Å; Y344-L346 HydrophobicContact CE2-CD2 3.94Å; Y344-L346 HydrophobicContact CE2-CG 4.14Å; Y344-K371 HydrophobicContact CD2-CB 4.22Å; Y344-K371 HydrophobicContact CD2-CD 4.12Å; Y344-K371 HydrophobicContact CD2-CG 4.09Å; Y344-K371 HydrophobicContact CE2-CD 4.23Å; Y344-K371 HydrophobicContact CE2-CG 4.5Å; Y344-K371 HydrophobicContact CG-CB 4.24Å; Y344-K371 HydrophobicContact CG-CD 4.3Å; Y344-K371 HydrophobicContact CG-CG 4.47Å; Y344-E372 CarbonylContact C-O 3.58Å; Y344-E372 VanDerWaalsContact CA-O 3.27Å; Y344-E372 WeakPolarHBondContact CA-O 3.35Å
345H77.5Confident65.2Low85 Ų8585.1 Ų85.139%0.39446%0.459SS..EExtended strand (participates in β ladder)trans-82.1130.6167.1-171.359.2000109.6E372 V374H345-E372 HydrophobicContact CB-CB 4.48Å; H345-E372 PolarHBondContact N-O 3.23Å; H345-E372 PolarHBondContact O-N 3.08Å; H345-E372 VanDerWaalsContact O-N 3.14Å; H345-V374 HydrophobicContact CB-CG2 4.35Å
346L65.3Low62.3Low93 Ų9395.1 Ų95.149%0.48750%0.502SS..  trans-85.9118.3161.5-66.5176000106.5Y344 D348 K371Y344-L346 HydrophobicContact CD2-CD2 4.13Å; Y344-L346 HydrophobicContact CD2-CG 4.3Å; Y344-L346 HydrophobicContact CE2-CD2 3.94Å; Y344-L346 HydrophobicContact CE2-CG 4.14Å; L346-D348 PolarHBondContact O-N 3.23Å; L346-D348 VanDerWaalsContact O-N 3.09Å; L346-K371 HydrophobicContact CD2-CG 4.26Å
347P55.7Low59.6Low60 Ų60102 Ų10239%0.3954%0.538SS..  trans-66.5113.9-177.226-33.6000110A349 A369P347-A349 PolarHBondContact O-N 2.86Å; P347-A369 HydrophobicContact CG-CB 4.26Å
348D45.9Very low56.6Low137 Ų137101.6 Ų101.673%0.73355%0.545SS*.  trans-55.1128.5174.2-84.6-40.4000110.3L346 K350L346-D348 PolarHBondContact O-N 3.23Å; L346-D348 VanDerWaalsContact O-N 3.09Å; D348-K350 VanDerWaalsContact C-N 3.31Å; D348-K350 PolarHBondContact O-N 3.03Å
349A40.8Very low53.9Low99 Ų99108 Ų10882%0.81857%0.574SS**  trans-66.491.2176.800000109.4P347 M351P347-A349 PolarHBondContact O-N 2.86Å; A349-M351 PolarHBondContact O-N 3.14Å; A349-M351 VanDerWaalsContact O-N 3.11Å
350K37.6Very low51.2Low196 Ų196117.5 Ų117.585%0.85262%0.615SS**  trans-37.2111.3-166.5-66.6-177.2178.7179.90113.1D348 S352D348-K350 VanDerWaalsContact C-N 3.31Å; D348-K350 PolarHBondContact O-N 3.03Å; K350-S352 PolarHBondContact O-N 3.48Å
351M35.2Very low48.2Very low202 Ų202122.9 Ų122.9100%0.99565%0.646SS**  trans-6092.5179.7-80.7-163.2170.900112.2A349A349-M351 PolarHBondContact O-N 3.14Å; A349-M351 VanDerWaalsContact O-N 3.11Å
352S29.7Very low45.2Very low99 Ų99128.6 Ų128.669%0.69266%0.664SS**  trans-108.687.3175.9176.80000111.8K350K350-S352 PolarHBondContact O-N 3.48Å
353K38.2Very low42.5Very low191 Ų191135.9 Ų135.983%0.8370%0.701SS**SBendtrans65.7108.6155.6-58.6174.5-179.7174.40118.2
354K37.1Very low39.7Very low218 Ų218144.7 Ų144.795%0.94874%0.74SS**  trans46.590.6146.3-66.1-174174.1-176.10117.5
355G29.5Very low37.3Very low74 Ų74152.5 Ų152.576%0.76378%0.777SS**  trans-155.4137.3162.700000111
356K28.9Very low35Very low211 Ų211152.1 Ų152.192%0.91780%0.796SS**  trans-45.7140.6-173.9-68.2174.5174.2179.20114.3S358K356-S358 PolarHBondContact O-N 2.64Å
357I32.5Very low33.4Very low167 Ų167156.6 Ų156.686%0.85681%0.814SS**  trans-60.1128.3161.2-60.9169.1000108.4
358S25.8Very low32.5Very low106 Ų106161.9 Ų161.974%0.74183%0.834SS**  trans-137124157.1-174.20000107.3K356K356-S358 PolarHBondContact O-N 2.64Å
359E33.4Very low32.5Very low171 Ų171158.1 Ų158.180%0.79982%0.822SS**SBendtrans-66.2161.1165.3-61177.3132.800109.4
360K31.9Very low32.9Very low202 Ų202162.5 Ų162.588%0.87882%0.823SS**  trans66.884.8-175.3-51.3175.5-175.7176.10114.2
361M25.8Very low34.3Very low190 Ų190158 Ų15894%0.93680%0.803SS**  trans-118.1148.3142.9-102.9-170.7164.100109.3
362E25Very low36.1Very low173 Ų173154.3 Ų154.381%0.80878%0.783SS**  trans-80.3148.8-162.8-60.4171.113900113K364E362-K364 PolarHBondContact O-N 2.76Å
363I30Very low38.3Very low157 Ų157153 Ų15381%0.80577%0.769SS**  trans-71.698.7174.8-57.5172000108.6E365I363-E365 HydrophobicContact CG2-CG 3.98Å
364K26.3Very low40.2Very low185 Ų185147.6 Ų147.680%0.80475%0.751SS**  trans-91.792.6163.6-76.7-171.8175.4179.30109.8E362 G366E362-K364 PolarHBondContact O-N 2.76Å; K364-G366 PolarHBondContact O-N 3.12Å
365E30.7Very low42.3Very low187 Ų187139.2 Ų139.287%0.87472%0.717SS**  trans-56.8129.7163.4-56.1-177.4141.100108.7I363I363-E365 HydrophobicContact CG2-CG 3.98Å
366G29.7Very low44.9Very low77 Ų77137.7 Ų137.779%0.79469%0.689SS**  trans150.4-11-179.900000117.2K364K364-G366 PolarHBondContact O-N 3.12Å
367Q31.4Very low47.5Very low186 Ų186130.7 Ų130.787%0.86967%0.667SS**  trans-128.793.7170.1-70.9-171.6-9.600110.7A369Q367-A369 PolarHBondContact O-N 3.08Å
368E38.3Very low50.1Low171 Ų171123 Ų12380%0.79963%0.628SS**  trans-64.4104.2160.4-70.9-165.1103.900108.6K370E368-K370 PolarHBondContact O-N 3.24Å
369A44.3Very low53Low59 Ų59119.2 Ų119.249%0.48860%0.601SS.*  trans-56.1129.8166.200000108.4P347 Q367 K371P347-A369 HydrophobicContact CG-CB 4.26Å; Q367-A369 PolarHBondContact O-N 3.08Å; A369-K371 PolarHBondContact O-N 2.84Å
370K48.8Very low55.7Low190 Ų190111.1 Ų111.183%0.82656%0.563SS**  trans-58.9106.2176-80.5-175.7173.5-176.90108.8E368 E372E368-K370 PolarHBondContact O-N 3.24Å; K370-E372 PolarHBondContact O-N 2.93Å
371K68.2Low58.5Low101 Ų101101.9 Ų101.944%0.43952%0.523SS..PPolyproline II helixtrans-61.5117.2171.1-62.2170.7-171161.90107.3Y344 L346 A369 L373Y344-K371 HydrophobicContact CD2-CB 4.22Å; Y344-K371 HydrophobicContact CD2-CD 4.12Å; Y344-K371 HydrophobicContact CD2-CG 4.09Å; Y344-K371 HydrophobicContact CE2-CD 4.23Å; Y344-K371 HydrophobicContact CE2-CG 4.5Å; Y344-K371 HydrophobicContact CG-CB 4.24Å; Y344-K371 HydrophobicContact CG-CD 4.3Å; Y344-K371 HydrophobicContact CG-CG 4.47Å; L346-K371 HydrophobicContact CD2-CG 4.26Å; A369-K371 PolarHBondContact O-N 2.84Å; K371-L373 PolarHBondContact O-N 3.29Å
372E72.6Confident61.5Low125 Ų12598.5 Ų98.558%0.58451%0.505SS*.EExtended strand (participates in β ladder)trans-80.6118.8174.6-69.4-17216000107.8Y344 H345 K370 V374Y344-E372 CarbonylContact C-O 3.58Å; Y344-E372 VanDerWaalsContact CA-O 3.27Å; Y344-E372 WeakPolarHBondContact CA-O 3.35Å; H345-E372 HydrophobicContact CB-CB 4.48Å; H345-E372 PolarHBondContact N-O 3.23Å; H345-E372 PolarHBondContact O-N 3.08Å; H345-E372 VanDerWaalsContact O-N 3.14Å; K370-E372 PolarHBondContact O-N 2.93Å; E372-V374 PolarHBondContact O-N 3Å
373L75.9Confident64.6Low73 Ų7390.8 Ų90.838%0.38247%0.47SS..EExtended strand (participates in β ladder)trans-74.7116.5-173.4-173.973.5000109.6V343 K371 L375 L433 Y436V343-L373 WeakPolarHBondContact O-CD1 3.44Å; K371-L373 PolarHBondContact O-N 3.29Å; L373-L375 HydrophobicContact CD1-CD1 4.45Å; L373-L375 HydrophobicContact CD1-CD2 4.22Å; L373-L375 HydrophobicContact CD1-CG 4.1Å; L373-L375 HydrophobicContact CD2-CD1 3.87Å; L373-L375 HydrophobicContact CD2-CG 4.27Å; L373-L375 HydrophobicContact CG-CD1 4.15Å; L373-L375 HydrophobicContact CG-CG 3.98Å; L373-L433 HydrophobicContact CD2-CD2 3.75Å; L373-Y436 HydrophobicContact CD1-CD1 4.14Å; L373-Y436 HydrophobicContact CD1-CD2 3.6Å; L373-Y436 HydrophobicContact CD1-CE1 4.02Å; L373-Y436 HydrophobicContact CD1-CE2 3.46Å; L373-Y436 VanDerWaalsContact CD1-CE2 3.46Å; L373-Y436 HydrophobicContact CD1-CG 3.96Å; L373-Y436 HydrophobicContact CD2-CD1 4.47Å
374V77.5Confident67.5Low77 Ų7783.3 Ų83.347%0.46743%0.432SS..  trans-12888.2179.7-178.40000106.9R342 V343 H345 E372 E376R342-V374 CarbonylContact C-O 3.56Å; R342-V374 VanDerWaalsContact C-O 3.23Å; V343-V374 CarbonylContact C-O 3.57Å; V343-V374 WeakPolarHBondContact CA-O 3.44Å; V343-V374 PolarHBondContact N-O 3.45Å; V343-V374 CarbonylContact O-C 3.53Å; V343-V374 PolarHBondContact O-N 3.48Å; H345-V374 HydrophobicContact CB-CG2 4.35Å; E372-V374 PolarHBondContact O-N 3Å; V374-E376 PolarHBondContact O-N 3.4Å
375L82.2Confident70.6Confident42 Ų4276 Ų7622%0.2240%0.403CS..  trans-84.2102.2-179.3-70.2167.3000109.4V304 V343 L373 S377 L432 L433V304-L375 HydrophobicContact CG2-CD2 3.62Å; V343-L375 HydrophobicContact CG1-CD2 4.09Å; L373-L375 HydrophobicContact CD1-CD1 4.45Å; L373-L375 HydrophobicContact CD1-CD2 4.22Å; L373-L375 HydrophobicContact CD1-CG 4.1Å; L373-L375 HydrophobicContact CD2-CD1 3.87Å; L373-L375 HydrophobicContact CD2-CG 4.27Å; L373-L375 HydrophobicContact CG-CD1 4.15Å; L373-L375 HydrophobicContact CG-CG 3.98Å; L375-S377 PolarHBondContact O-N 3.36Å; L375-L432 HydrophobicContact CB-CB 4.26Å; L375-L432 HydrophobicContact CB-CD1 4.09Å; L375-L432 HydrophobicContact CD1-CB 3.91Å; L375-L432 HydrophobicContact CD2-CB 4.36Å; L375-L432 HydrophobicContact CG-CB 4.4Å; L375-L433 HydrophobicContact CD1-CD2 3.81Å; L375-L433 HydrophobicContact CD1-CG 4.03Å
376E84.2Confident73.5Confident41 Ų4173.5 Ų73.519%0.19239%0.391CS..PPolyproline II helixtrans-69.1124.8175.1-170.1-163.4-121.700110.4T219 C303 R342 V374T219-E376 VanDerWaalsContact CB-OE1 3.23Å; T219-E376 WeakPolarHBondContact CB-OE1 3.4Å; T219-E376 HydrophobicContact CG2-CG 4.5Å; T219-E376 WeakPolarHBondContact CG2-OE1 3.45Å; T219-E376 PolarHBondContact OG1-OE1 3.32Å; C303-E376 PolarHBondContact SG-O 3.48Å; R342-E376 HydrophobicContact CB-CB 4.36Å; R342-E376 IonicContact CZ-OE2 3.28Å; R342-E376 IonicContact NE-OE2 3Å; R342-E376 PolarHBondContact NE-OE2 2.88Å; R342-E376 IonicContact NH2-OE2 2.72Å; R342-E376 PolarHBondContact NH2-OE2 3.29Å; R342-E376 PolarHBondContact O-N 3.1Å; R342-E376 VanDerWaalsContact O-N 3.1Å; V374-E376 PolarHBondContact O-N 3.4Å
377S83.4Confident76.4Confident65 Ų6569.9 Ų69.946%0.45535%0.354SS..PPolyproline II helixtrans-79.8144.9169.350.60000111.3L375 P379L375-S377 PolarHBondContact O-N 3.36Å; S377-P379 WeakPolarHBondContact O-CD 3.32Å
378N86.1Confident79.2Confident4 Ų462.6 Ų62.62%0.02132%0.321CS..PPolyproline II helixtrans-75.3123.8-179.2-158.37000110.5S299 K380 W381 Y610S299-N378 PolarHBondContact O-ND2 2.86Å; N378-K380 VanDerWaalsContact C-N 3.28Å; N378-K380 PolarHBondContact O-N 3.2Å; N378-K380 VanDerWaalsContact O-N 3.14Å; N378-W381 HydrophobicContact CB-CD2 3.59Å; N378-W381 HydrophobicContact CB-CE3 3.73Å; N378-W381 HydrophobicContact CB-CG 4.12Å; N378-W381 HydrophobicContact CB-CH2 4.09Å; N378-W381 HydrophobicContact CB-CZ2 3.96Å; N378-W381 HydrophobicContact CB-CZ3 3.98Å; N378-W381 VanDerWaalsContact N-CE3 3.31Å; N378-W381 VanDerWaalsContact O-CB 3.28Å; N378-W381 WeakPolarHBondContact O-CB 3.31Å; N378-W381 PolarHBondContact O-N 3.11Å; N378-Y610 PolarHBondContact OD1-OH 3.16Å
379P87.9Confident81.6Confident28 Ų2860 Ų6018%0.18231%0.307CS..Hα-helixtrans-57.3-30.9-174.1-29.835.1000116V216 T219 S377 W381 E382 A383 Y610V216-P379 HydrophobicContact CG1-CB 3.61Å; T219-P379 HydrophobicContact CG2-CG 3.61Å; S377-P379 WeakPolarHBondContact O-CD 3.32Å; P379-W381 PolarHBondContact O-N 3.21Å; P379-E382 PolarHBondContact O-N 3.5Å; P379-A383 PolarHBondContact O-N 3.43Å; P379-Y610 HydrophobicContact CB-CE1 4.13Å; P379-Y610 WeakPolarHBondContact CD-OH 3.45Å; P379-Y610 HydrophobicContact CG-CE1 4.49Å
380K89.5Confident83.8Confident0 Ų060.7 Ų60.70%030%0.3CS..Hα-helixtrans-56.9-27.6172.5-90.6-171.2-171.6-171.60112.8N378 L384 Y581 D582 L608 Y610 E615N378-K380 VanDerWaalsContact C-N 3.28Å; N378-K380 PolarHBondContact O-N 3.2Å; N378-K380 VanDerWaalsContact O-N 3.14Å; K380-L384 VanDerWaalsContact O-CB 3.25Å; K380-L384 WeakPolarHBondContact O-CB 3.14Å; K380-L384 PolarHBondContact O-N 3.32Å; K380-Y581 HydrophobicContact CB-CE2 3.66Å; K380-Y581 WeakPolarHBondContact CB-OH 3.26Å; K380-Y581 HydrophobicContact CD-CD1 4.19Å; K380-Y581 HydrophobicContact CD-CD2 4.43Å; K380-Y581 HydrophobicContact CD-CE1 3.72Å; K380-Y581 HydrophobicContact CD-CE2 4Å; K380-Y581 WeakPolarHBondContact CE-O 3.25Å; K380-Y581 HydrophobicContact CG-CE2 4.37Å; K380-Y581 PolarHBondContact NZ-O 3.16Å; K380-D582 IonicContact NZ-OD1 3.15Å; K380-D582 PolarHBondContact NZ-OD1 2.9Å; K380-L608 WeakPolarHBondContact CE-O 3.35Å; K380-L608 HydrophobicContact CG-CB 4.48Å; K380-Y610 HydrophobicContact CB-CE2 4.4Å; K380-Y610 HydrophobicContact CD-CD2 4.21Å; K380-Y610 HydrophobicContact CD-CE2 3.75Å; K380-Y610 HydrophobicContact CG-CD2 4.24Å; K380-Y610 HydrophobicContact CG-CE1 4.49Å; K380-Y610 HydrophobicContact CG-CE2 3.6Å; K380-Y610 PolarHBondContact N-OH 3.05Å; K380-E615 WeakPolarHBondContact CE-OE2 3.41Å; K380-E615 IonicContact NZ-OE1 2.68Å; K380-E615 PolarHBondContact NZ-OE1 3.47Å; K380-E615 IonicContact NZ-OE2 2.7Å; K380-E615 PolarHBondContact NZ-OE2 3.24Å
381W90.2Very high85.6Confident8 Ų851.7 Ų51.73%0.0326%0.261CS..Hα-helixtrans-71.5-39.7178.7-63.7-22.7000112.8D302 N378 P379 L384 T385 Y423 A428 L432 Y581D302-W381 HydrophobicContact CB-CH2 3.85Å; D302-W381 HydrophobicContact CB-CZ2 4.33Å; N378-W381 HydrophobicContact CB-CD2 3.59Å; N378-W381 HydrophobicContact CB-CE3 3.73Å; N378-W381 HydrophobicContact CB-CG 4.12Å; N378-W381 HydrophobicContact CB-CH2 4.09Å; N378-W381 HydrophobicContact CB-CZ2 3.96Å; N378-W381 HydrophobicContact CB-CZ3 3.98Å; N378-W381 VanDerWaalsContact N-CE3 3.31Å; N378-W381 VanDerWaalsContact O-CB 3.28Å; N378-W381 WeakPolarHBondContact O-CB 3.31Å; N378-W381 PolarHBondContact O-N 3.11Å; P379-W381 PolarHBondContact O-N 3.21Å; W381-L384 PolarHBondContact O-N 2.93Å; W381-T385 WeakPolarHBondContact O-CB 3.2Å; W381-T385 PolarHBondContact O-N 2.72Å; W381-T385 PolarHBondContact O-OG1 3.49Å; W381-Y423 HydrophobicContact CB-CD1 4.33Å; W381-Y423 HydrophobicContact CB-CE1 3.76Å; W381-Y423 HydrophobicContact CB-CE2 4.16Å; W381-Y423 HydrophobicContact CG-CD1 4.3Å; W381-Y423 HydrophobicContact CG-CE1 4.22Å; W381-Y423 PolarHBondContact O-OH 3.16Å; W381-A428 HydrophobicContact CE3-CB 4.4Å; W381-L432 HydrophobicContact CH2-CD2 4.07Å; W381-L432 HydrophobicContact CZ3-CD1 4.23Å; W381-L432 HydrophobicContact CZ3-CD2 4.17Å; W381-L432 HydrophobicContact CZ3-CG 4.36Å; W381-Y581 PolarHBondContact NE1-OH 2.86Å
382E89.8Confident86.4Confident120 Ų12050.7 Ų50.756%0.56126%0.257SS*.Hα-helixtrans-68-45.1176.8-167.861.2-153.700110.3P379 L384 T385 E386P379-E382 PolarHBondContact O-N 3.5Å; E382-L384 PolarHBondContact O-N 3.38Å; E382-T385 CarbonylContact O-C 3.4Å; E382-T385 WeakPolarHBondContact O-CB 3.43Å; E382-T385 PolarHBondContact O-N 3.03Å; E382-T385 VanDerWaalsContact O-N 3.09Å; E382-E386 PolarHBondContact O-N 3.13Å
383A89.9Confident87Confident10 Ų1046.8 Ų46.88%0.08325%0.247CC..Hα-helixtrans-58.8-43.617400000112.2I214 V216 P379 T385 E386 V387 L608I214-A383 HydrophobicContact CG2-CB 4.33Å; V216-A383 HydrophobicContact CG2-CB 3.84Å; P379-A383 PolarHBondContact O-N 3.43Å; A383-T385 VanDerWaalsContact C-N 3.29Å; A383-T385 PolarHBondContact O-N 3.45Å; A383-E386 WeakPolarHBondContact O-CB 3.32Å; A383-E386 PolarHBondContact O-N 3.42Å; A383-V387 WeakPolarHBondContact O-CG2 3.27Å; A383-V387 PolarHBondContact O-N 3.39Å; A383-L608 HydrophobicContact CB-CD2 4.41Å
384L91.4Very high87.3Confident0 Ų045.5 Ų45.50%024%0.239CC..Hα-helixtrans-59.5-40.5174.117962.5000112K380 W381 E382 E386 L388 I409 L420 V579 Y581 L608K380-L384 VanDerWaalsContact O-CB 3.25Å; K380-L384 WeakPolarHBondContact O-CB 3.14Å; K380-L384 PolarHBondContact O-N 3.32Å; W381-L384 PolarHBondContact O-N 2.93Å; E382-L384 PolarHBondContact O-N 3.38Å; L384-E386 VanDerWaalsContact C-N 3.35Å; L384-L388 HydrophobicContact CD1-CD1 4.18Å; L384-L388 HydrophobicContact CD1-CG 4.27Å; L384-L388 HydrophobicContact CG-CD1 4.04Å; L384-L388 WeakPolarHBondContact O-CB 3.31Å; L384-L388 VanDerWaalsContact O-CG 3.28Å; L384-L388 WeakPolarHBondContact O-CG 3.3Å; L384-L388 PolarHBondContact O-N 2.94Å; L384-I409 HydrophobicContact CD1-CD1 4.5Å; L384-L420 HydrophobicContact CD2-CD2 3.75Å; L384-V579 HydrophobicContact CD1-CG1 3.75Å; L384-Y581 HydrophobicContact CD2-CD2 4.23Å; L384-Y581 HydrophobicContact CD2-CE2 4.38Å; L384-L608 HydrophobicContact CB-CD2 4.05Å
385T90.9Very high87.5Confident31 Ų3142.5 Ų42.519%0.1922%0.22CC..Hα-helixtrans-71.1-28.4177.8-74.20000112.8W381 E382 A383 K389 Y423W381-T385 WeakPolarHBondContact O-CB 3.2Å; W381-T385 PolarHBondContact O-N 2.72Å; W381-T385 PolarHBondContact O-OG1 3.49Å; E382-T385 CarbonylContact O-C 3.4Å; E382-T385 WeakPolarHBondContact O-CB 3.43Å; E382-T385 PolarHBondContact O-N 3.03Å; E382-T385 VanDerWaalsContact O-N 3.09Å; A383-T385 VanDerWaalsContact C-N 3.29Å; A383-T385 PolarHBondContact O-N 3.45Å; T385-K389 HydrophobicContact CG2-CD 4.34Å; T385-K389 VanDerWaalsContact CG2-CE 3.45Å; T385-K389 VanDerWaalsContact CG2-NZ 3.35Å; T385-K389 VanDerWaalsContact O-CD 3.29Å; T385-K389 WeakPolarHBondContact O-CD 3.2Å; T385-K389 WeakPolarHBondContact O-CG 3.36Å; T385-K389 PolarHBondContact O-N 2.97Å; T385-Y423 PolarHBondContact OG1-OH 3.49Å
386E91.1Very high87.3Confident135 Ų13546.1 Ų46.163%0.63123%0.234SC*.Hα-helixtrans-66.4-54.9169.7-173.6172.3-158.600111E382 A383 L384 L388 K389 E390E382-E386 PolarHBondContact O-N 3.13Å; A383-E386 WeakPolarHBondContact O-CB 3.32Å; A383-E386 PolarHBondContact O-N 3.42Å; L384-E386 VanDerWaalsContact C-N 3.35Å; E386-L388 VanDerWaalsContact C-N 3.32Å; E386-L388 PolarHBondContact O-N 3.28Å; E386-K389 PolarHBondContact O-N 3.49Å; E386-K389 VanDerWaalsContact O-N 3.1Å; E386-E390 PolarHBondContact O-N 3.12Å
387V91.3Very high86.8Confident2 Ų252 Ų521%0.01226%0.262CS..Hα-helixtrans-66-31.5-179.91370000112.6I214 A383 K389 E390 I391 V579 Y606 L608I214-V387 HydrophobicContact CD1-CB 4.36Å; I214-V387 HydrophobicContact CD1-CG2 3.6Å; A383-V387 WeakPolarHBondContact O-CG2 3.27Å; A383-V387 PolarHBondContact O-N 3.39Å; V387-K389 PolarHBondContact O-N 2.89Å; V387-E390 WeakPolarHBondContact O-CB 3.15Å; V387-E390 PolarHBondContact O-N 3.42Å; V387-I391 HydrophobicContact CG1-CD1 3.64Å; V387-I391 HydrophobicContact CG1-CG1 4.36Å; V387-I391 WeakPolarHBondContact O-CB 3.22Å; V387-I391 VanDerWaalsContact O-CG1 3.25Å; V387-I391 WeakPolarHBondContact O-CG1 3.44Å; V387-I391 PolarHBondContact O-N 2.93Å; V387-V579 HydrophobicContact CG1-CG2 4.04Å; V387-Y606 HydrophobicContact CB-CD1 4.02Å; V387-Y606 HydrophobicContact CB-CE1 4.1Å; V387-Y606 HydrophobicContact CG1-CD1 3.74Å; V387-Y606 HydrophobicContact CG1-CD2 3.97Å; V387-Y606 HydrophobicContact CG1-CE1 3.92Å; V387-Y606 HydrophobicContact CG1-CE2 4.15Å; V387-Y606 HydrophobicContact CG1-CG 3.76Å; V387-Y606 HydrophobicContact CG2-CD1 4.45Å; V387-L608 HydrophobicContact CG2-CD1 4.46Å
388L89.2Confident85.9Confident33 Ų3350.2 Ų50.217%0.17325%0.249CC..Hα-helixtrans-66.3-35.4173.2-73.7174.2000112.6L384 E386 E392 V407 I409 I424 T552L384-L388 HydrophobicContact CD1-CD1 4.18Å; L384-L388 HydrophobicContact CD1-CG 4.27Å; L384-L388 HydrophobicContact CG-CD1 4.04Å; L384-L388 WeakPolarHBondContact O-CB 3.31Å; L384-L388 VanDerWaalsContact O-CG 3.28Å; L384-L388 WeakPolarHBondContact O-CG 3.3Å; L384-L388 PolarHBondContact O-N 2.94Å; E386-L388 VanDerWaalsContact C-N 3.32Å; E386-L388 PolarHBondContact O-N 3.28Å; L388-E392 WeakPolarHBondContact O-CB 3.46Å; L388-E392 PolarHBondContact O-N 3.11Å; L388-V407 HydrophobicContact CD2-CG1 4.36Å; L388-I409 HydrophobicContact CD1-CD1 4.37Å; L388-I409 HydrophobicContact CD2-CD1 4.29Å; L388-I424 HydrophobicContact CD1-CD1 4.33Å; L388-T552 HydrophobicContact CD2-CG2 4.24Å
389K89.3Confident84.5Confident117 Ų11757.1 Ų57.151%0.50928%0.281SS..Hα-helixtrans-70.8-37.8172.9-69.7163.1-172164.20112.1T385 E386 V387 E392 A393T385-K389 HydrophobicContact CG2-CD 4.34Å; T385-K389 VanDerWaalsContact CG2-CE 3.45Å; T385-K389 VanDerWaalsContact CG2-NZ 3.35Å; T385-K389 VanDerWaalsContact O-CD 3.29Å; T385-K389 WeakPolarHBondContact O-CD 3.2Å; T385-K389 WeakPolarHBondContact O-CG 3.36Å; T385-K389 PolarHBondContact O-N 2.97Å; E386-K389 PolarHBondContact O-N 3.49Å; E386-K389 VanDerWaalsContact O-N 3.1Å; V387-K389 PolarHBondContact O-N 2.89Å; K389-E392 PolarHBondContact O-N 3.12Å; K389-A393 WeakPolarHBondContact O-CB 3.47Å; K389-A393 PolarHBondContact O-N 3.1Å
390E90Very high82.8Confident73 Ų7360.2 Ų60.234%0.34131%0.309SS..Hα-helixtrans-58.1-51.9172.5-174.7-163.9129.900110.4E386 V387 E392 A393 E394 R604 Y606E386-E390 PolarHBondContact O-N 3.12Å; V387-E390 WeakPolarHBondContact O-CB 3.15Å; V387-E390 PolarHBondContact O-N 3.42Å; E390-E392 VanDerWaalsContact C-N 3.33Å; E390-E392 PolarHBondContact O-N 2.75Å; E390-A393 PolarHBondContact O-N 3.48Å; E390-E394 PolarHBondContact O-N 2.82Å; E390-R604 IonicContact OE1-NH2 3.61Å; E390-R604 PolarHBondContact OE1-NH2 3.43Å; E390-Y606 WeakPolarHBondContact OE1-CE1 3.4Å; E390-Y606 PolarHBondContact OE1-OH 2.74Å
391I86.9Confident81Confident1 Ų168.5 Ų68.51%0.00535%0.352CS..Hα-helixtrans-63.5-37.2177.6-66.9165.5000111.5V387 N395 V407 Y577 V579 Y606V387-I391 HydrophobicContact CG1-CD1 3.64Å; V387-I391 HydrophobicContact CG1-CG1 4.36Å; V387-I391 WeakPolarHBondContact O-CB 3.22Å; V387-I391 VanDerWaalsContact O-CG1 3.25Å; V387-I391 WeakPolarHBondContact O-CG1 3.44Å; V387-I391 PolarHBondContact O-N 2.93Å; I391-N395 WeakPolarHBondContact CG2-ND2 3.31Å; I391-N395 WeakPolarHBondContact O-CB 3.5Å; I391-N395 PolarHBondContact O-N 3.16Å; I391-N395 PolarHBondContact O-ND2 3.2Å; I391-V407 HydrophobicContact CD1-CG1 4.41Å; I391-V407 HydrophobicContact CG2-CG2 3.73Å; I391-Y577 HydrophobicContact CD1-CD1 4.27Å; I391-Y577 HydrophobicContact CD1-CG 4.18Å; I391-Y577 HydrophobicContact CG1-CD1 3.96Å; I391-Y577 HydrophobicContact CG1-CE1 4.24Å; I391-Y577 HydrophobicContact CG1-CG 4.11Å; I391-Y577 HydrophobicContact CG2-CD2 3.67Å; I391-Y577 HydrophobicContact CG2-CE2 3.91Å; I391-Y577 HydrophobicContact CG2-CG 3.99Å; I391-V579 HydrophobicContact CD1-CG2 4.16Å; I391-Y606 HydrophobicContact CD1-CD2 4.25Å; I391-Y606 HydrophobicContact CD1-CE2 3.74Å; I391-Y606 HydrophobicContact CG1-CE2 4.01Å
392E85.8Confident79.4Confident79 Ų7970.3 Ų70.337%0.36937%0.374SS..Hα-helixtrans-65-39.8175.4-162.2-161.6163.800111.8L388 K389 E390 K396L388-E392 WeakPolarHBondContact O-CB 3.46Å; L388-E392 PolarHBondContact O-N 3.11Å; K389-E392 PolarHBondContact O-N 3.12Å; E390-E392 VanDerWaalsContact C-N 3.33Å; E390-E392 PolarHBondContact O-N 2.75Å; E392-K396 WeakPolarHBondContact O-CD 3.18Å; E392-K396 WeakPolarHBondContact O-CG 3.4Å; E392-K396 PolarHBondContact O-N 3.38Å; E392-K396 WeakPolarHBondContact OE1-CE 3.28Å; E392-K396 IonicContact OE1-NZ 3.62Å; E392-K396 PolarHBondContact OE1-NZ 2.88Å; E392-K396 IonicContact OE2-NZ 2.71Å
393A85.1Confident77.8Confident44 Ų4466.3 Ų66.336%0.36437%0.365SS..Hα-helixtrans-68.2-49.1174.900000111.7K389 E390 N395 K396 E397K389-A393 WeakPolarHBondContact O-CB 3.47Å; K389-A393 PolarHBondContact O-N 3.1Å; E390-A393 PolarHBondContact O-N 3.48Å; A393-N395 VanDerWaalsContact C-N 3.27Å; A393-N395 PolarHBondContact O-N 3.3Å; A393-K396 PolarHBondContact O-N 3.17Å; A393-K396 VanDerWaalsContact O-N 3.12Å; A393-E397 PolarHBondContact O-N 3.47Å
394E82.5Confident76.5Confident46 Ų4671.3 Ų71.322%0.21540%0.396CS..Hα-helixtrans-59.1-37.3177.3-75.7-161.1169.400112.6E390 E397 S398 Y577 R604E390-E394 PolarHBondContact O-N 2.82Å; E394-E397 PolarHBondContact O-N 3.04Å; E394-S398 WeakPolarHBondContact O-CB 3.32Å; E394-S398 PolarHBondContact O-N 3.44Å; E394-S398 PolarHBondContact O-OG 3.07Å; E394-Y577 WeakPolarHBondContact OE2-CE1 3.36Å; E394-Y577 PolarHBondContact OE2-OH 2.89Å; E394-R604 IonicContact OE1-CZ 3.92Å; E394-R604 IonicContact OE1-NH1 2.74Å; E394-R604 PolarHBondContact OE1-NH1 3.46Å; E394-R604 IonicContact OE1-NH2 3.57Å; E394-R604 PolarHBondContact OE1-NH2 3.09Å; E394-R604 IonicContact OE2-CZ 3.09Å; E394-R604 VanDerWaalsContact OE2-CZ 3.29Å; E394-R604 IonicContact OE2-NH1 2.73Å; E394-R604 PolarHBondContact OE2-NH1 3.48Å; E394-R604 IonicContact OE2-NH2 3.06Å; E394-R604 PolarHBondContact OE2-NH2 3.43Å
395N80.4Confident75.4Confident14 Ų1471.5 Ų71.58%0.07540%0.398CS..Hα-helixtrans-63.9-43.9175.9-84.1-58.4000111.7I391 A393 S398 E399 G405I391-N395 WeakPolarHBondContact CG2-ND2 3.31Å; I391-N395 WeakPolarHBondContact O-CB 3.5Å; I391-N395 PolarHBondContact O-N 3.16Å; I391-N395 PolarHBondContact O-ND2 3.2Å; A393-N395 VanDerWaalsContact C-N 3.27Å; A393-N395 PolarHBondContact O-N 3.3Å; N395-S398 CarbonylContact O-C 3.6Å; N395-S398 PolarHBondContact O-N 2.95Å; N395-S398 VanDerWaalsContact O-N 3.14Å; N395-E399 PolarHBondContact O-N 3.42Å; N395-E399 VanDerWaalsContact O-N 3.16Å; N395-G405 VanDerWaalsContact OD1-CA 3.3Å; N395-G405 WeakPolarHBondContact OD1-CA 3.26Å; N395-G405 PolarHBondContact OD1-N 3.38Å
396K78.4Confident75.1Confident117 Ų11773 Ų7351%0.50940%0.403SS..Hα-helixtrans-63.7-40176.7-69.9164.5-173.7168.20112.2E392 A393 S398E392-K396 WeakPolarHBondContact O-CD 3.18Å; E392-K396 WeakPolarHBondContact O-CG 3.4Å; E392-K396 PolarHBondContact O-N 3.38Å; E392-K396 WeakPolarHBondContact OE1-CE 3.28Å; E392-K396 IonicContact OE1-NZ 3.62Å; E392-K396 PolarHBondContact OE1-NZ 2.88Å; E392-K396 IonicContact OE2-NZ 2.71Å; A393-K396 PolarHBondContact O-N 3.17Å; A393-K396 VanDerWaalsContact O-N 3.12Å; K396-S398 VanDerWaalsContact C-N 3.31Å
397E74.6Confident74.9Confident165 Ų16566.6 Ų66.677%0.77137%0.373SS*.Hα-helixtrans-70.4-29173.7-67.4-178.9-172.500112.2A393 E394A393-E397 PolarHBondContact O-N 3.47Å; E394-E397 PolarHBondContact O-N 3.04Å
398S64.2Low74.8Confident27 Ų2766.5 Ų66.519%0.18937%0.373CS..G310 helixtrans-83.3-5.5179.9-63.10000115.3E394 N395 K396 A400 L401 G402 R576E394-S398 WeakPolarHBondContact O-CB 3.32Å; E394-S398 PolarHBondContact O-N 3.44Å; E394-S398 PolarHBondContact O-OG 3.07Å; N395-S398 CarbonylContact O-C 3.6Å; N395-S398 PolarHBondContact O-N 2.95Å; N395-S398 VanDerWaalsContact O-N 3.14Å; K396-S398 VanDerWaalsContact C-N 3.31Å; S398-A400 PolarHBondContact O-N 3.4Å; S398-L401 PolarHBondContact O-N 3.46Å; S398-G402 PolarHBondContact O-N 2.92Å; S398-R576 PolarHBondContact OG-NH2 3.37Å
399E56Low74.9Confident150 Ų15065 Ų6570%0.70137%0.365SS*.G310 helixtrans-54.9-30-175.7-73.4-173.4179.200112.8N395 L401N395-E399 PolarHBondContact O-N 3.42Å; N395-E399 VanDerWaalsContact O-N 3.16Å; E399-L401 VanDerWaalsContact C-N 3.32Å; E399-L401 PolarHBondContact O-N 2.85Å
400A52.5Low74.9Confident93 Ų9359.4 Ų59.477%0.76934%0.34SS*.G310 helixtrans-72.8-14.1178.300000115.3S398S398-A400 PolarHBondContact O-N 3.4Å
401L52.3Low74.8Confident173 Ų17355.9 Ų55.991%0.90632%0.324SS*.THydrogen-bonded Turntrans-141.6-21.2-169.2-76.5172.4000116.4S398 E399S398-L401 PolarHBondContact O-N 3.46Å; E399-L401 VanDerWaalsContact C-N 3.32Å; E399-L401 PolarHBondContact O-N 2.85Å
402G55.1Low74.8Confident46 Ų4656.4 Ų56.447%0.47433%0.327SS..THydrogen-bonded Turntrans-129.4-8.9-164.300000118S398S398-G402 PolarHBondContact O-N 2.92Å
403G57.2Low74.7Confident36 Ų3654.7 Ų54.737%0.37132%0.321SS..  trans65.4179.5-172.200000114G405G403-G405 PolarHBondContact O-N 2.87Å
404P63Low74.8Confident115 Ų11556.6 Ų56.675%0.74733%0.325SS*.  trans-71.3109.4-179.228.5-33.7000110.9Q406P404-Q406 PolarHBondContact O-N 3.45Å
405G68.4Low75Confident4 Ų461.3 Ų61.34%0.04134%0.341CS..  trans-69.4114.9178.600000112.1N395 G403N395-G405 VanDerWaalsContact OD1-CA 3.3Å; N395-G405 WeakPolarHBondContact OD1-CA 3.26Å; N395-G405 PolarHBondContact OD1-N 3.38Å; G403-G405 PolarHBondContact O-N 2.87Å
406Q83.1Confident75.4Confident63 Ų6360.8 Ų60.829%0.29434%0.338SS..  trans-70.8142.9173.1-54.1-162.434.100111P404 L551 V573 R576 Y577P404-Q406 PolarHBondContact O-N 3.45Å; Q406-L551 HydrophobicContact CG-CB 4.18Å; Q406-L551 HydrophobicContact CG-CD1 4.14Å; Q406-V573 HydrophobicContact CB-CG1 4.2Å; Q406-V573 PolarHBondContact OE1-O 2.93Å; Q406-R576 PolarHBondContact O-N 3.46Å; Q406-R576 VanDerWaalsContact O-N 3.1Å; Q406-Y577 PolarHBondContact O-N 2.92Å
407V87.2Confident75.8Confident1 Ų155.8 Ų55.81%0.00632%0.318CS..EExtended strand (participates in β ladder)trans-121.1121.6-174-1720000110L388 I391 I409 L551 T552 I553 Y577 V579L388-V407 HydrophobicContact CD2-CG1 4.36Å; I391-V407 HydrophobicContact CD1-CG1 4.41Å; I391-V407 HydrophobicContact CG2-CG2 3.73Å; V407-I409 HydrophobicContact CG1-CG1 4.41Å; V407-L551 PolarHBondContact N-O 3.36Å; V407-T552 HydrophobicContact CB-CG2 3.85Å; V407-T552 HydrophobicContact CG1-CG2 4.27Å; V407-T552 HydrophobicContact CG2-CG2 4.29Å; V407-T552 WeakPolarHBondContact O-CA 3.27Å; V407-I553 PolarHBondContact O-N 3.34Å; V407-Y577 WeakPolarHBondContact CA-O 3.34Å; V407-Y577 HydrophobicContact CG2-CD2 4.49Å; V407-V579 HydrophobicContact CG1-CG2 4.31Å
408L89.6Confident76.5Confident0 Ų050.6 Ų50.60%030%0.3CS..EExtended strand (participates in β ladder)trans-106.8112.8175.8-177.865.6000110.3I553 H555 L566 V569 P575 Y577 V578 V579L408-I553 HydrophobicContact CD1-CB 4.21Å; L408-I553 HydrophobicContact CD1-CG2 3.93Å; L408-H555 HydrophobicContact CD1-CB 4.13Å; L408-L566 HydrophobicContact CD2-CD1 4.42Å; L408-V569 HydrophobicContact CD1-CG1 4.27Å; L408-P575 HydrophobicContact CB-CB 3.9Å; L408-P575 HydrophobicContact CB-CG 4.02Å; L408-P575 HydrophobicContact CD2-CG 4.2Å; L408-Y577 PolarHBondContact N-O 2.72Å; L408-V578 HydrophobicContact CB-CG2 4.41Å; L408-V578 WeakPolarHBondContact O-CA 3.46Å; L408-V579 PolarHBondContact O-N 2.81Å
409I90.8Very high77.6Confident0 Ų050 Ų500%029%0.294CS..EExtended strand (participates in β ladder)trans-95.1119.7175-53.5176.6000108.3L384 L388 V407 I424 I553 I554 H555 V579L384-I409 HydrophobicContact CD1-CD1 4.5Å; L388-I409 HydrophobicContact CD1-CD1 4.37Å; L388-I409 HydrophobicContact CD2-CD1 4.29Å; V407-I409 HydrophobicContact CG1-CG1 4.41Å; I409-I424 HydrophobicContact CD1-CD1 4.1Å; I409-I553 PolarHBondContact N-O 3.13Å; I409-I554 HydrophobicContact CB-CG1 4.39Å; I409-I554 HydrophobicContact CD1-CG1 4.44Å; I409-I554 WeakPolarHBondContact O-CA 3.39Å; I409-H555 PolarHBondContact O-N 3.25Å; I409-V579 WeakPolarHBondContact CA-O 3.27Å; I409-V579 HydrophobicContact CG1-CB 4.39Å
410C89.4Confident79.2Confident0 Ų043 Ų430%026%0.261CS..EExtended strand (participates in β ladder)trans-109.6124177.3-63.40000110.1H555 V579 L580 Y581 F587C410-H555 WeakPolarHBondContact CA-O 3.49Å; C410-V579 PolarHBondContact N-O 3.04Å; C410-L580 HydrophobicContact CB-CD2 4.12Å; C410-Y581 WeakPolarHBondContact O-CB 3.46Å; C410-Y581 PolarHBondContact O-N 3.39Å; C410-F587 HydrophobicContact CB-CD1 4.49Å; C410-F587 HydrophobicContact CB-CE1 3.96Å; C410-F587 WeakPolarHBondContact SG-CE1 3.22Å
411A89.1Confident80.8Confident0 Ų042.4 Ų42.40%024%0.239CC..EExtended strand (participates in β ladder)trans-127.7157.9176.300000110.1D413 T416 L420 H555 P556 L557 Y581A411-D413 PolarHBondContact O-N 2.95Å; A411-T416 HydrophobicContact CB-CG2 3.92Å; A411-L420 HydrophobicContact CB-CD1 3.72Å; A411-H555 PolarHBondContact N-O 2.75Å; A411-P556 CarbonylContact O-C 3.59Å; A411-P556 WeakPolarHBondContact O-CA 3.32Å; A411-L557 WeakPolarHBondContact O-CB 3.49Å; A411-L557 PolarHBondContact O-N 3.38Å; A411-Y581 HydrophobicContact CB-CD1 4.23Å; A411-Y581 HydrophobicContact CB-CG 4.39Å
412S85.3Confident82.5Confident11 Ų1136 Ų368%0.07721%0.206CC..SBendtrans-57.9-51.4-167.656.50000115.4Q300 L557 L558 D582Q300-S412 PolarHBondContact NE2-OG 3.13Å; S412-L557 PolarHBondContact O-N 3.38Å; S412-L558 PolarHBondContact O-N 3.47Å; S412-D582 WeakPolarHBondContact CB-OD2 3.4Å; S412-D582 PolarHBondContact N-OD2 3.35Å; S412-D582 PolarHBondContact OG-OD2 2.93Å; S412-D582 VanDerWaalsContact OG-OD2 3.13Å
413D85.5Confident84.1Confident43 Ų4334.8 Ų34.823%0.2319%0.187CC..SBendtrans-129.2155.4-168.2-49.7-37.6000110.9Q300 A411 R415 T416 C417Q300-D413 PolarHBondContact NE2-OD2 3.37Å; Q300-D413 PolarHBondContact OE1-OD2 3.31Å; A411-D413 PolarHBondContact O-N 2.95Å; D413-R415 PolarHBondContact O-N 3.13Å; D413-R415 VanDerWaalsContact O-N 3.11Å; D413-T416 WeakPolarHBondContact O-CB 3.26Å; D413-T416 PolarHBondContact O-N 2.98Å; D413-C417 PolarHBondContact O-N 3.34Å; D413-C417 PolarHBondContact O-SG 3.5Å; D413-C417 VanDerWaalsContact O-SG 3.37Å
414D86Confident85.5Confident85 Ų8535.8 Ų35.846%0.45518%0.183SC..Hα-helixtrans-52.5-36.6178.9-58.1-54.2000113.6C417 S418 P556D414-C417 WeakPolarHBondContact O-CB 3.4Å; D414-C417 PolarHBondContact O-N 3.41Å; D414-S418 PolarHBondContact O-N 3.46Å; D414-P556 WeakPolarHBondContact OD1-CB 3.41Å; D414-P556 VanDerWaalsContact OD1-CG 3.3Å; D414-P556 WeakPolarHBondContact OD1-CG 3.25Å
415R87.1Confident86.5Confident144 Ų14434 Ų3454%0.54317%0.17SC..Hα-helixtrans-64.8-42.8178.9-170.7-178.2-57.1-175.54.9111.6Y301 D413 C417 S418 Q419Y301-R415 PolarHBondContact OH-NH1 3.1Å; D413-R415 PolarHBondContact O-N 3.13Å; D413-R415 VanDerWaalsContact O-N 3.11Å; R415-C417 VanDerWaalsContact C-N 3.31Å; R415-S418 WeakPolarHBondContact O-CB 3.37Å; R415-S418 PolarHBondContact O-N 2.55Å; R415-Q419 WeakPolarHBondContact O-CG 3.44Å; R415-Q419 PolarHBondContact O-N 2.98Å; R415-Q419 PolarHBondContact O-OE1 3.37Å
416T87.8Confident87.3Confident3 Ų337.9 Ų37.92%0.01819%0.19CC..Hα-helixtrans-66.2-38.2175.8-53.20000110.1A411 D413 S418 Q419 L420 Y581A411-T416 HydrophobicContact CB-CG2 3.92Å; D413-T416 WeakPolarHBondContact O-CB 3.26Å; D413-T416 PolarHBondContact O-N 2.98Å; T416-S418 VanDerWaalsContact C-N 3.34Å; T416-S418 PolarHBondContact O-N 3.16Å; T416-Q419 PolarHBondContact O-N 2.74Å; T416-L420 HydrophobicContact CG2-CD1 4.2Å; T416-L420 HydrophobicContact CG2-CG 4.43Å; T416-L420 WeakPolarHBondContact O-CB 3.37Å; T416-L420 VanDerWaalsContact O-CG 3.26Å; T416-L420 WeakPolarHBondContact O-CG 3.3Å; T416-L420 PolarHBondContact O-N 2.87Å; T416-Y581 HydrophobicContact CG2-CD1 4.2Å; T416-Y581 HydrophobicContact CG2-CE1 4Å
417C88.6Confident87.4Confident13 Ų1336.3 Ų36.39%0.08819%0.191CC..Hα-helixtrans-60-41.8172.4-59.10000112.3D413 D414 R415 L420 R421 I554 P556D413-C417 PolarHBondContact O-N 3.34Å; D413-C417 PolarHBondContact O-SG 3.5Å; D413-C417 VanDerWaalsContact O-SG 3.37Å; D414-C417 WeakPolarHBondContact O-CB 3.4Å; D414-C417 PolarHBondContact O-N 3.41Å; R415-C417 VanDerWaalsContact C-N 3.31Å; C417-L420 PolarHBondContact O-N 3.06Å; C417-R421 WeakPolarHBondContact O-CB 3.09Å; C417-R421 PolarHBondContact O-N 2.87Å; C417-I554 HydrophobicContact CB-CG2 3.75Å; C417-P556 VanDerWaalsContact SG-CA 3.56Å
418S88.3Confident87.2Confident56 Ų5637.3 Ų37.339%0.39220%0.199SC..Hα-helixtrans-67.2-41.8174.3-169.40000112.7D414 R415 T416 L420 R421 D422D414-S418 PolarHBondContact O-N 3.46Å; R415-S418 WeakPolarHBondContact O-CB 3.37Å; R415-S418 PolarHBondContact O-N 2.55Å; T416-S418 VanDerWaalsContact C-N 3.34Å; T416-S418 PolarHBondContact O-N 3.16Å; S418-L420 VanDerWaalsContact C-N 3.35Å; S418-R421 PolarHBondContact O-N 3.2Å; S418-D422 PolarHBondContact O-N 3.25Å
419Q87.9Confident86.9Confident15 Ų1544.9 Ų44.97%0.0723%0.234CC..Hα-helixtrans-62.1-41.3175.3-73.1166.9-60.300111.2D302 R415 T416 Y423 F431D302-Q419 PolarHBondContact OD2-NE2 3.17Å; R415-Q419 WeakPolarHBondContact O-CG 3.44Å; R415-Q419 PolarHBondContact O-N 2.98Å; R415-Q419 PolarHBondContact O-OE1 3.37Å; T416-Q419 PolarHBondContact O-N 2.74Å; Q419-Y423 VanDerWaalsContact O-CB 3.28Å; Q419-Y423 WeakPolarHBondContact O-CB 3.27Å; Q419-Y423 PolarHBondContact O-N 3.25Å; Q419-F431 HydrophobicContact CB-CZ 4.31Å; Q419-F431 HydrophobicContact CG-CZ 4.03Å
420L88.1Confident86.6Confident1 Ų147.3 Ų47.31%0.00526%0.255CS..Hα-helixtrans-68-39.8175.9-69.5173.7000112.1L384 A411 T416 C417 S418 Y423 I424 I554 Y581L384-L420 HydrophobicContact CD2-CD2 3.75Å; A411-L420 HydrophobicContact CB-CD1 3.72Å; T416-L420 HydrophobicContact CG2-CD1 4.2Å; T416-L420 HydrophobicContact CG2-CG 4.43Å; T416-L420 WeakPolarHBondContact O-CB 3.37Å; T416-L420 VanDerWaalsContact O-CG 3.26Å; T416-L420 WeakPolarHBondContact O-CG 3.3Å; T416-L420 PolarHBondContact O-N 2.87Å; C417-L420 PolarHBondContact O-N 3.06Å; S418-L420 VanDerWaalsContact C-N 3.35Å; L420-Y423 PolarHBondContact O-N 3.43Å; L420-I424 WeakPolarHBondContact O-CB 3.33Å; L420-I424 VanDerWaalsContact O-CG1 3.3Å; L420-I424 WeakPolarHBondContact O-CG1 3.25Å; L420-I424 PolarHBondContact O-N 2.93Å; L420-I554 HydrophobicContact CB-CD1 4.31Å; L420-Y581 HydrophobicContact CD1-CD1 4.31Å; L420-Y581 HydrophobicContact CD1-CD2 4.04Å; L420-Y581 HydrophobicContact CD1-CE2 4.37Å; L420-Y581 HydrophobicContact CD1-CG 4Å; L420-Y581 HydrophobicContact CD2-CD2 4.13Å; L420-Y581 HydrophobicContact CD2-CE2 3.75Å
421R87.8Confident86.5Confident82 Ų8247.5 Ų47.531%0.30926%0.255SS..Hα-helixtrans-59.9-48.7173.6-170.9-164.4-66.8-173.5-1111.6C417 S418 T425 A542 A543 I554C417-R421 WeakPolarHBondContact O-CB 3.09Å; C417-R421 PolarHBondContact O-N 2.87Å; S418-R421 PolarHBondContact O-N 3.2Å; R421-T425 WeakPolarHBondContact O-CB 3.27Å; R421-T425 WeakPolarHBondContact O-CG2 3.45Å; R421-T425 PolarHBondContact O-N 3.49Å; R421-T425 VanDerWaalsContact O-N 3.13Å; R421-T425 PolarHBondContact O-OG1 2.82Å; R421-A542 PolarHBondContact NH1-O 3.37Å; R421-A542 PolarHBondContact NH2-O 2.87Å; R421-A543 PolarHBondContact NH2-O 2.92Å; R421-I554 HydrophobicContact CB-CD1 4.11Å
422D87.4Confident86.2Confident37 Ų3747.7 Ų47.720%0.19826%0.256CS..Hα-helixtrans-64.8-38.4176.3-86.9-42000111.8S418 T425 L426 F431 R434S418-D422 PolarHBondContact O-N 3.25Å; D422-T425 PolarHBondContact O-N 3.47Å; D422-T425 PolarHBondContact O-OG1 2.94Å; D422-L426 VanDerWaalsContact O-CB 3.28Å; D422-L426 WeakPolarHBondContact O-CB 3.14Å; D422-L426 PolarHBondContact O-N 3.41Å; D422-F431 HydrophobicContact CB-CD2 3.55Å; D422-F431 HydrophobicContact CB-CE2 3.58Å; D422-R434 IonicContact OD1-CZ 3.06Å; D422-R434 IonicContact OD1-NH1 2.62Å; D422-R434 PolarHBondContact OD1-NH1 3.28Å; D422-R434 VanDerWaalsContact OD1-NH1 3.08Å; D422-R434 IonicContact OD1-NH2 3.99Å; D422-R434 PolarHBondContact OD1-NH2 3.27Å; D422-R434 IonicContact OD2-CZ 3.14Å; D422-R434 IonicContact OD2-NH1 2.7Å; D422-R434 IonicContact OD2-NH2 2.75Å; D422-R434 PolarHBondContact OD2-NH2 2.94Å
423Y88.1Confident86.3Confident21 Ų2150 Ų508%0.08227%0.267CS..Hα-helixtrans-62.3-49.3176.2168.5-117.3000112.2W381 T385 Q419 L420 T425 G427 A428W381-Y423 HydrophobicContact CB-CD1 4.33Å; W381-Y423 HydrophobicContact CB-CE1 3.76Å; W381-Y423 HydrophobicContact CB-CE2 4.16Å; W381-Y423 HydrophobicContact CG-CD1 4.3Å; W381-Y423 HydrophobicContact CG-CE1 4.22Å; W381-Y423 PolarHBondContact O-OH 3.16Å; T385-Y423 PolarHBondContact OG1-OH 3.49Å; Q419-Y423 VanDerWaalsContact O-CB 3.28Å; Q419-Y423 WeakPolarHBondContact O-CB 3.27Å; Q419-Y423 PolarHBondContact O-N 3.25Å; L420-Y423 PolarHBondContact O-N 3.43Å; Y423-T425 VanDerWaalsContact C-N 3.29Å; Y423-T425 PolarHBondContact O-N 2.97Å; Y423-G427 VanDerWaalsContact O-CA 3.26Å; Y423-G427 WeakPolarHBondContact O-CA 3.29Å; Y423-G427 PolarHBondContact O-N 3.49Å; Y423-A428 HydrophobicContact CD2-CB 3.97Å; Y423-A428 HydrophobicContact CE2-CB 3.69Å
424I86.3Confident86.3Confident57 Ų5753 Ų5329%0.29228%0.276SS..Hα-helixtrans-66-32.4-179.2-68.5165.1000111.4L388 I409 L420 L547 I554L388-I424 HydrophobicContact CD1-CD1 4.33Å; I409-I424 HydrophobicContact CD1-CD1 4.1Å; L420-I424 WeakPolarHBondContact O-CB 3.33Å; L420-I424 VanDerWaalsContact O-CG1 3.3Å; L420-I424 WeakPolarHBondContact O-CG1 3.25Å; L420-I424 PolarHBondContact O-N 2.93Å; I424-L547 HydrophobicContact CG2-CD1 3.91Å; I424-I554 HydrophobicContact CD1-CD1 4.16Å
425T85.8Confident86.3Confident78 Ų7850.3 Ų50.348%0.47926%0.261SS..Hα-helixtrans-89.8-24.7-177.453.50000115R421 D422 Y423 L547R421-T425 WeakPolarHBondContact O-CB 3.27Å; R421-T425 WeakPolarHBondContact O-CG2 3.45Å; R421-T425 PolarHBondContact O-N 3.49Å; R421-T425 VanDerWaalsContact O-N 3.13Å; R421-T425 PolarHBondContact O-OG1 2.82Å; D422-T425 PolarHBondContact O-N 3.47Å; D422-T425 PolarHBondContact O-OG1 2.94Å; Y423-T425 VanDerWaalsContact C-N 3.29Å; Y423-T425 PolarHBondContact O-N 2.97Å; T425-L547 HydrophobicContact CG2-CD2 4Å
426L84.8Confident86.2Confident85 Ų8545.3 Ų45.345%0.44524%0.242SC..Hα-helixtrans-119-21.6-175.9-56.2175.6000114.6D422 A430D422-L426 VanDerWaalsContact O-CB 3.28Å; D422-L426 WeakPolarHBondContact O-CB 3.14Å; D422-L426 PolarHBondContact O-N 3.41Å; L426-A430 HydrophobicContact CB-CB 4.42Å; L426-A430 WeakPolarHBondContact O-CB 3.46Å
427G85.6Confident86.1Confident31 Ų3150.5 Ų50.532%0.3226%0.262SS..  trans81.6154.1-170.600000114Y423 E429 A430 F431Y423-G427 VanDerWaalsContact O-CA 3.26Å; Y423-G427 WeakPolarHBondContact O-CA 3.29Å; Y423-G427 PolarHBondContact O-N 3.49Å; G427-E429 PolarHBondContact O-N 3.18Å; G427-A430 PolarHBondContact O-N 3.42Å; G427-F431 WeakPolarHBondContact O-CB 3.26Å; G427-F431 PolarHBondContact O-N 2.94Å
428A83Confident85.9Confident21 Ų2155.5 Ų55.517%0.17428%0.282CS..Hα-helixtrans-57.6-49.6-172.500000113.8W381 Y423 A430 F431 L432W381-A428 HydrophobicContact CE3-CB 4.4Å; Y423-A428 HydrophobicContact CD2-CB 3.97Å; Y423-A428 HydrophobicContact CE2-CB 3.69Å; A428-A430 PolarHBondContact O-N 2.99Å; A428-F431 PolarHBondContact O-N 3.48Å; A428-L432 WeakPolarHBondContact O-CB 3.48Å; A428-L432 WeakPolarHBondContact O-CG 3.41Å; A428-L432 PolarHBondContact O-N 3.41Å
429E82.7Confident85.6Confident160 Ų16054.8 Ų54.875%0.74828%0.275SS*.Hα-helixtrans-61.1-47.4-176.3-63.4-174.2174.100111.7G427 F431 L432 L433G427-E429 PolarHBondContact O-N 3.18Å; E429-F431 VanDerWaalsContact C-N 3.34Å; E429-F431 PolarHBondContact O-N 3.27Å; E429-L432 PolarHBondContact O-N 3.23Å; E429-L433 VanDerWaalsContact O-CB 3.25Å; E429-L433 WeakPolarHBondContact O-CB 3.2Å; E429-L433 WeakPolarHBondContact O-CD1 3.33Å; E429-L433 WeakPolarHBondContact O-CG 3.46Å; E429-L433 PolarHBondContact O-N 3.08Å
430A84.4Confident84.9Confident51 Ų5156.9 Ų56.942%0.42128%0.284SS..Hα-helixtrans-63.8-40.317900000111.8L426 G427 A428 R434L426-A430 HydrophobicContact CB-CB 4.42Å; L426-A430 WeakPolarHBondContact O-CB 3.46Å; G427-A430 PolarHBondContact O-N 3.42Å; A428-A430 PolarHBondContact O-N 2.99Å; A430-R434 VanDerWaalsContact O-CB 3.26Å; A430-R434 WeakPolarHBondContact O-CB 3.25Å; A430-R434 PolarHBondContact O-N 3.46Å
431F86.4Confident83.6Confident4 Ų460.1 Ų60.12%0.01830%0.299CS..Hα-helixtrans-64-52.2176.3176.8-106.4000112.6Q419 D422 G427 A428 E429 L433 R434 L435Q419-F431 HydrophobicContact CB-CZ 4.31Å; Q419-F431 HydrophobicContact CG-CZ 4.03Å; D422-F431 HydrophobicContact CB-CD2 3.55Å; D422-F431 HydrophobicContact CB-CE2 3.58Å; G427-F431 WeakPolarHBondContact O-CB 3.26Å; G427-F431 PolarHBondContact O-N 2.94Å; A428-F431 PolarHBondContact O-N 3.48Å; E429-F431 VanDerWaalsContact C-N 3.34Å; E429-F431 PolarHBondContact O-N 3.27Å; F431-L433 PolarHBondContact O-N 3.04Å; F431-R434 WeakPolarHBondContact O-CB 3.42Å; F431-R434 PolarHBondContact O-N 3.28Å; F431-L435 HydrophobicContact CD1-CD1 4.07Å; F431-L435 HydrophobicContact CE1-CD1 3.42Å; F431-L435 VanDerWaalsContact CE1-CD1 3.42Å; F431-L435 HydrophobicContact CE1-CG 4.26Å; F431-L435 HydrophobicContact CE2-CD1 4.28Å; F431-L435 HydrophobicContact CE2-CG 4.34Å; F431-L435 HydrophobicContact CZ-CD1 3.54Å; F431-L435 HydrophobicContact CZ-CD2 4.41Å; F431-L435 HydrophobicContact CZ-CG 4.07Å; F431-L435 PolarHBondContact O-N 3.4Å
432L84.6Confident81.9Confident3 Ų363.7 Ų63.72%0.01632%0.317CS..Hα-helixtrans-64.4-38.9-179.7-67.6175.2000111.8D302 L375 W381 A428 E429 L435 Y436D302-L432 HydrophobicContact CB-CD2 3.94Å; L375-L432 HydrophobicContact CB-CB 4.26Å; L375-L432 HydrophobicContact CB-CD1 4.09Å; L375-L432 HydrophobicContact CD1-CB 3.91Å; L375-L432 HydrophobicContact CD2-CB 4.36Å; L375-L432 HydrophobicContact CG-CB 4.4Å; W381-L432 HydrophobicContact CH2-CD2 4.07Å; W381-L432 HydrophobicContact CZ3-CD1 4.23Å; W381-L432 HydrophobicContact CZ3-CD2 4.17Å; W381-L432 HydrophobicContact CZ3-CG 4.36Å; A428-L432 WeakPolarHBondContact O-CB 3.48Å; A428-L432 WeakPolarHBondContact O-CG 3.41Å; A428-L432 PolarHBondContact O-N 3.41Å; E429-L432 PolarHBondContact O-N 3.23Å; L432-L435 PolarHBondContact O-N 2.94Å; L432-Y436 WeakPolarHBondContact O-CB 3.45Å; L432-Y436 PolarHBondContact O-N 3.09Å
433L85.4Confident79.7Confident60 Ų6068.6 Ų68.631%0.31434%0.343SS..Hα-helixtrans-62.5-46.1171.8-73.4168.3000111.4L373 L375 E429 F431 L435 Y436 R437L373-L433 HydrophobicContact CD2-CD2 3.75Å; L375-L433 HydrophobicContact CD1-CD2 3.81Å; L375-L433 HydrophobicContact CD1-CG 4.03Å; E429-L433 VanDerWaalsContact O-CB 3.25Å; E429-L433 WeakPolarHBondContact O-CB 3.2Å; E429-L433 WeakPolarHBondContact O-CD1 3.33Å; E429-L433 WeakPolarHBondContact O-CG 3.46Å; E429-L433 PolarHBondContact O-N 3.08Å; F431-L433 PolarHBondContact O-N 3.04Å; L433-L435 VanDerWaalsContact C-N 3.29Å; L433-L435 PolarHBondContact O-N 3.43Å; L433-Y436 PolarHBondContact O-N 3.31Å; L433-R437 WeakPolarHBondContact O-CG 3.22Å; L433-R437 PolarHBondContact O-N 2.95Å
434R87.3Confident77.5Confident107 Ų10772.6 Ų72.640%0.40438%0.375SS..Hα-helixtrans-58.9-40.4177.4-171.1-173.368.6166.86.1111.5D422 A430 F431 K438D422-R434 IonicContact OD1-CZ 3.06Å; D422-R434 IonicContact OD1-NH1 2.62Å; D422-R434 PolarHBondContact OD1-NH1 3.28Å; D422-R434 VanDerWaalsContact OD1-NH1 3.08Å; D422-R434 IonicContact OD1-NH2 3.99Å; D422-R434 PolarHBondContact OD1-NH2 3.27Å; D422-R434 IonicContact OD2-CZ 3.14Å; D422-R434 IonicContact OD2-NH1 2.7Å; D422-R434 IonicContact OD2-NH2 2.75Å; D422-R434 PolarHBondContact OD2-NH2 2.94Å; A430-R434 VanDerWaalsContact O-CB 3.26Å; A430-R434 WeakPolarHBondContact O-CB 3.25Å; A430-R434 PolarHBondContact O-N 3.46Å; F431-R434 WeakPolarHBondContact O-CB 3.42Å; F431-R434 PolarHBondContact O-N 3.28Å; R434-K438 WeakPolarHBondContact O-CB 3.34Å; R434-K438 PolarHBondContact O-N 3.04Å
435L84.7Confident75.4Confident27 Ų2777.2 Ų77.214%0.14139%0.392CS..Hα-helixtrans-64.3-52.9173.4-72.6178.6000112.2D302 V304 T305 F431 L432 L433 R437 K438 T439D302-L435 HydrophobicContact CB-CD1 4.32Å; D302-L435 WeakPolarHBondContact OD1-CD1 3.47Å; D302-L435 WeakPolarHBondContact OD2-CD1 3.42Å; V304-L435 HydrophobicContact CB-CB 4.28Å; V304-L435 HydrophobicContact CG1-CB 4.1Å; T305-L435 HydrophobicContact CG2-CD1 4.47Å; F431-L435 HydrophobicContact CD1-CD1 4.07Å; F431-L435 HydrophobicContact CE1-CD1 3.42Å; F431-L435 VanDerWaalsContact CE1-CD1 3.42Å; F431-L435 HydrophobicContact CE1-CG 4.26Å; F431-L435 HydrophobicContact CE2-CD1 4.28Å; F431-L435 HydrophobicContact CE2-CG 4.34Å; F431-L435 HydrophobicContact CZ-CD1 3.54Å; F431-L435 HydrophobicContact CZ-CD2 4.41Å; F431-L435 HydrophobicContact CZ-CG 4.07Å; F431-L435 PolarHBondContact O-N 3.4Å; L432-L435 PolarHBondContact O-N 2.94Å; L433-L435 VanDerWaalsContact C-N 3.29Å; L433-L435 PolarHBondContact O-N 3.43Å; L435-R437 VanDerWaalsContact C-N 3.27Å; L435-R437 PolarHBondContact O-N 3.11Å; L435-K438 WeakPolarHBondContact O-CA 3.22Å; L435-K438 PolarHBondContact O-N 2.81Å; L435-T439 PolarHBondContact O-N 3.05Å; L435-T439 PolarHBondContact O-OG1 2.96Å
436Y85.6Confident73.2Confident39 Ų3975.3 Ų75.315%0.15338%0.384CS..Hα-helixtrans-55.4-42.6-178.2178.5-90.2000111.9V343 L373 L432 L433 T439 F440V343-Y436 HydrophobicContact CG1-CD2 3.94Å; V343-Y436 HydrophobicContact CG1-CE2 4.12Å; L373-Y436 HydrophobicContact CD1-CD1 4.14Å; L373-Y436 HydrophobicContact CD1-CD2 3.6Å; L373-Y436 HydrophobicContact CD1-CE1 4.02Å; L373-Y436 HydrophobicContact CD1-CE2 3.46Å; L373-Y436 VanDerWaalsContact CD1-CE2 3.46Å; L373-Y436 HydrophobicContact CD1-CG 3.96Å; L373-Y436 HydrophobicContact CD2-CD1 4.47Å; L432-Y436 WeakPolarHBondContact O-CB 3.45Å; L432-Y436 PolarHBondContact O-N 3.09Å; L433-Y436 PolarHBondContact O-N 3.31Å; Y436-T439 PolarHBondContact O-N 3.19Å; Y436-T439 PolarHBondContact O-OG1 3.19Å; Y436-F440 AromaticContact CD2-CD2 3.49Å; Y436-F440 HydrophobicContact CD2-CD2 3.49Å; Y436-F440 VanDerWaalsContact CD2-CD2 3.49Å; Y436-F440 HydrophobicContact CD2-CE2 4.04Å; Y436-F440 HydrophobicContact CD2-CG 4.47Å; Y436-F440 HydrophobicContact CE2-CB 4.31Å; Y436-F440 AromaticContact CE2-CD2 3.51Å; Y436-F440 HydrophobicContact CE2-CD2 3.51Å; Y436-F440 HydrophobicContact CE2-CE2 4.14Å; Y436-F440 HydrophobicContact CE2-CG 4.17Å; Y436-F440 HydrophobicContact CG-CD2 4.21Å; Y436-F440 PolarHBondContact O-N 3.08Å
437R85.3Confident70.9Confident113 Ų11379.2 Ų79.243%0.42640%0.4SS..Hα-helixtrans-62.6-45.9173.7-63.1-163.1175.7125.83.1112.3L433 L435 T439 E441L433-R437 WeakPolarHBondContact O-CG 3.22Å; L433-R437 PolarHBondContact O-N 2.95Å; L435-R437 VanDerWaalsContact C-N 3.27Å; L435-R437 PolarHBondContact O-N 3.11Å; R437-T439 VanDerWaalsContact C-N 3.28Å; R437-T439 PolarHBondContact O-N 3.3Å; R437-E441 HydrophobicContact CB-CB 4.36Å; R437-E441 HydrophobicContact CB-CG 4.43Å; R437-E441 VanDerWaalsContact CD-OE2 3.26Å; R437-E441 WeakPolarHBondContact CD-OE2 3.49Å; R437-E441 HydrophobicContact CG-CG 4.32Å; R437-E441 VanDerWaalsContact CG-OE2 3.24Å; R437-E441 WeakPolarHBondContact CG-OE2 3.45Å; R437-E441 IonicContact NE-OE1 3.83Å; R437-E441 IonicContact NE-OE2 3.01Å; R437-E441 WeakPolarHBondContact O-CB 3.49Å; R437-E441 PolarHBondContact O-N 3.08Å
438K85.3Confident68.6Low117 Ų11783.7 Ų83.751%0.50941%0.413SS..Hα-helixtrans-65.6-27.6-178.6-170.3170.2-178.1175.50113.1R434 L435R434-K438 WeakPolarHBondContact O-CB 3.34Å; R434-K438 PolarHBondContact O-N 3.04Å; L435-K438 WeakPolarHBondContact O-CA 3.22Å; L435-K438 PolarHBondContact O-N 2.81Å
439T80.6Confident66.8Low42 Ų4285.8 Ų85.826%0.25842%0.424SS..Hα-helixtrans-93.2-41.2178.156.20000114.2V304 L435 Y436 R437V304-T439 HydrophobicContact CG1-CG2 4.25Å; V304-T439 WeakPolarHBondContact CG1-OG1 3.21Å; L435-T439 PolarHBondContact O-N 3.05Å; L435-T439 PolarHBondContact O-OG1 2.96Å; Y436-T439 PolarHBondContact O-N 3.19Å; Y436-T439 PolarHBondContact O-OG1 3.19Å; R437-T439 VanDerWaalsContact C-N 3.28Å; R437-T439 PolarHBondContact O-N 3.3Å
440F73.4Confident64.5Low59 Ų5987 Ų8726%0.25942%0.421SS..Hα-helixtrans-114.2-24.7-169.8-61.2-69.3000115.2V304 L307 Y436 K442V304-F440 HydrophobicContact CG1-CE2 4.12Å; L307-F440 HydrophobicContact CD2-CZ 4.25Å; Y436-F440 AromaticContact CD2-CD2 3.49Å; Y436-F440 HydrophobicContact CD2-CD2 3.49Å; Y436-F440 VanDerWaalsContact CD2-CD2 3.49Å; Y436-F440 HydrophobicContact CD2-CE2 4.04Å; Y436-F440 HydrophobicContact CD2-CG 4.47Å; Y436-F440 HydrophobicContact CE2-CB 4.31Å; Y436-F440 AromaticContact CE2-CD2 3.51Å; Y436-F440 HydrophobicContact CE2-CD2 3.51Å; Y436-F440 HydrophobicContact CE2-CE2 4.14Å; Y436-F440 HydrophobicContact CE2-CG 4.17Å; Y436-F440 HydrophobicContact CG-CD2 4.21Å; Y436-F440 PolarHBondContact O-N 3.08Å; F440-K442 VanDerWaalsContact C-N 3.29Å; F440-K442 PolarHBondContact O-N 3.21Å
441E61.6Low62.3Low68 Ų6890.2 Ų90.232%0.31843%0.429SS..THydrogen-bonded Turntrans-86.74.7179.1-66.1-175.1-177.100113.7R437 D443 A446R437-E441 HydrophobicContact CB-CB 4.36Å; R437-E441 HydrophobicContact CB-CG 4.43Å; R437-E441 VanDerWaalsContact CD-OE2 3.26Å; R437-E441 WeakPolarHBondContact CD-OE2 3.49Å; R437-E441 HydrophobicContact CG-CG 4.32Å; R437-E441 VanDerWaalsContact CG-OE2 3.24Å; R437-E441 WeakPolarHBondContact CG-OE2 3.45Å; R437-E441 IonicContact NE-OE1 3.83Å; R437-E441 IonicContact NE-OE2 3.01Å; R437-E441 WeakPolarHBondContact O-CB 3.49Å; R437-E441 PolarHBondContact O-N 3.08Å; E441-D443 PolarHBondContact O-N 3.2Å; E441-A446 HydrophobicContact CB-CB 4.29Å
442K50.9Low60.1Low157 Ų15795.5 Ų95.568%0.68345%0.452SS*.THydrogen-bonded Turntrans-62.5-21.2169.8-77.8-166.7170.7-164.50113.1F440 S444F440-K442 VanDerWaalsContact C-N 3.29Å; F440-K442 PolarHBondContact O-N 3.21Å; K442-S444 PolarHBondContact O-N 3.23Å
443D42.3Very low57.7Low140 Ų140101.3 Ų101.375%0.74948%0.478SS*.THydrogen-bonded Turntrans-76.885.3172.3-71.5-28.6000111.5E441 K445E441-D443 PolarHBondContact O-N 3.2Å; D443-K445 PolarHBondContact O-N 3.32Å
444S41Very low55.4Low106 Ų106107.1 Ų107.174%0.74150%0.495SS*.THydrogen-bonded Turntrans74.4-8.8153.8750000121.4K442K442-S444 PolarHBondContact O-N 3.23Å
445K43.7Very low53Low153 Ų153109 Ų10967%0.66551%0.506SS*.THydrogen-bonded Turntrans-131.3-5.3-167.2-74.2169.6-170.2161.40118.7D443 E447D443-K445 PolarHBondContact O-N 3.32Å; K445-E447 PolarHBondContact O-N 2.79Å
446A38.6Very low50.6Low38 Ų38112.5 Ų112.531%0.31452%0.522SS..Hα-helixtrans-64.5-40.8-174.400000114.6E441 E448 V449 W450E441-A446 HydrophobicContact CB-CB 4.29Å; A446-E448 PolarHBondContact O-N 3.32Å; A446-V449 PolarHBondContact O-N 3Å; A446-W450 PolarHBondContact O-N 3.03Å; A446-W450 VanDerWaalsContact O-N 3.1Å
447E37Very low48.2Very low167 Ų167115.3 Ų115.378%0.7854%0.54SS*.Hα-helixtrans-66.4-41.6-171.9-62.1-173.2137.200113.3K445 V449 W450 M451K445-E447 PolarHBondContact O-N 2.79Å; E447-V449 PolarHBondContact O-N 2.91Å; E447-W450 PolarHBondContact O-N 2.88Å; E447-M451 PolarHBondContact O-N 3.31Å
448E37.2Very low45.6Very low126 Ų126113.1 Ų113.159%0.58954%0.542SS*.Hα-helixtrans-59.1-38.1174.9-79-151.1159.300112.2A446 M451 K452A446-E448 PolarHBondContact O-N 3.32Å; E448-M451 PolarHBondContact O-N 2.94Å; E448-K452 VanDerWaalsContact O-CD 3.29Å; E448-K452 WeakPolarHBondContact O-CD 3.37Å; E448-K452 WeakPolarHBondContact O-CG 3.24Å; E448-K452 PolarHBondContact O-N 3.01Å; E448-K452 IonicContact OE2-NZ 2.66Å; E448-K452 PolarHBondContact OE2-NZ 2.9Å
449V44.7Very low43.2Very low65 Ų65111 Ų11139%0.39454%0.541SS..Hα-helixtrans-72.3-41.9-177.1177.60000110A446 E447 M451 K452 F453A446-V449 PolarHBondContact O-N 3Å; E447-V449 PolarHBondContact O-N 2.91Å; V449-M451 VanDerWaalsContact C-N 3.32Å; V449-M451 PolarHBondContact O-N 3.34Å; V449-K452 PolarHBondContact O-N 3.33Å; V449-K452 VanDerWaalsContact O-N 3.08Å; V449-F453 HydrophobicContact CG1-CD2 3.78Å; V449-F453 HydrophobicContact CG1-CE2 3.78Å; V449-F453 WeakPolarHBondContact O-CD2 2.97Å; V449-F453 PolarHBondContact O-N 3.04Å
450W35.6Very low41Very low184 Ų184114.9 Ų114.970%0.69756%0.555SS**Hα-helixtrans-57.9-43.5172.5-120.771.8000112A446 E447 K452 R454A446-W450 PolarHBondContact O-N 3.03Å; A446-W450 VanDerWaalsContact O-N 3.1Å; E447-W450 PolarHBondContact O-N 2.88Å; W450-K452 VanDerWaalsContact C-N 3.29Å; W450-K452 PolarHBondContact O-N 2.96Å; W450-R454 PolarHBondContact O-N 3.49Å
451M38.2Very low38.8Very low120 Ų120122.7 Ų122.759%0.59158%0.583SS**Hα-helixtrans-68.3-22.7175.7-75.3-69.5-105.800114.1E447 E448 V449 K455E447-M451 PolarHBondContact O-N 3.31Å; E448-M451 PolarHBondContact O-N 2.94Å; V449-M451 VanDerWaalsContact C-N 3.32Å; V449-M451 PolarHBondContact O-N 3.34Å; M451-K455 WeakPolarHBondContact O-CG 3.43Å
452K38.6Very low37.4Very low114 Ų114125.9 Ų125.950%0.49660%0.6SS.*Hα-helixtrans-81.2-46.7174.5-73.7159.8-171.4167.30111.6E448 V449 W450 R454 K455 E456E448-K452 VanDerWaalsContact O-CD 3.29Å; E448-K452 WeakPolarHBondContact O-CD 3.37Å; E448-K452 WeakPolarHBondContact O-CG 3.24Å; E448-K452 PolarHBondContact O-N 3.01Å; E448-K452 IonicContact OE2-NZ 2.66Å; E448-K452 PolarHBondContact OE2-NZ 2.9Å; V449-K452 PolarHBondContact O-N 3.33Å; V449-K452 VanDerWaalsContact O-N 3.08Å; W450-K452 VanDerWaalsContact C-N 3.29Å; W450-K452 PolarHBondContact O-N 2.96Å; K452-R454 VanDerWaalsContact C-N 3.34Å; K452-R454 PolarHBondContact O-N 2.86Å; K452-K455 WeakPolarHBondContact O-CB 3.45Å; K452-K455 PolarHBondContact O-N 3.24Å; K452-E456 PolarHBondContact O-N 3.25Å
453F35.6Very low36.3Very low125 Ų125129.4 Ų129.455%0.54861%0.609SS.*Hα-helixtrans-58.6-41.9175.9-89-83.5000112.7V449 K455 E456 D457V449-F453 HydrophobicContact CG1-CD2 3.78Å; V449-F453 HydrophobicContact CG1-CE2 3.78Å; V449-F453 WeakPolarHBondContact O-CD2 2.97Å; V449-F453 PolarHBondContact O-N 3.04Å; F453-K455 PolarHBondContact O-N 3.37Å; F453-K455 VanDerWaalsContact O-N 3.16Å; F453-E456 PolarHBondContact O-N 3.28Å; F453-D457 PolarHBondContact O-N 3.47Å
454R37.1Very low35.5Very low182 Ų182132.6 Ų132.669%0.68762%0.617SS**Hα-helixtrans-63.6-20.8177.8-150.5172.4-174.1-175.41.8113.5W450 K452 S458W450-R454 PolarHBondContact O-N 3.49Å; K452-R454 VanDerWaalsContact C-N 3.34Å; K452-R454 PolarHBondContact O-N 2.86Å; R454-S458 PolarHBondContact O-OG 2.81Å
455K35.4Very low34.8Very low147 Ų147132.2 Ų132.264%0.63961%0.614SS**Hα-helixtrans-86.7-23.3172.6-72176.2178.4176.30113.7M451 K452 F453 S458 S459M451-K455 WeakPolarHBondContact O-CG 3.43Å; K452-K455 WeakPolarHBondContact O-CB 3.45Å; K452-K455 PolarHBondContact O-N 3.24Å; F453-K455 PolarHBondContact O-N 3.37Å; F453-K455 VanDerWaalsContact O-N 3.16Å; K455-S458 WeakPolarHBondContact CA-OG 3.34Å; K455-S458 PolarHBondContact O-OG 3.09Å; K455-S459 PolarHBondContact O-N 3.37Å; K455-S459 PolarHBondContact O-OG 2.93Å
456E34.7Very low33.8Very low101 Ų101133.7 Ų133.747%0.47262%0.623SS.*Hα-helixtrans-77.1-42.7173.9-72.9-150.3176.700113.2K452 F453 S459 K460K452-E456 PolarHBondContact O-N 3.25Å; F453-E456 PolarHBondContact O-N 3.28Å; E456-S459 WeakPolarHBondContact CA-OG 3.26Å; E456-S459 PolarHBondContact O-N 2.9Å; E456-S459 PolarHBondContact O-OG 3.08Å; E456-K460 WeakPolarHBondContact O-CD 3.48Å; E456-K460 VanDerWaalsContact O-CG 3.26Å; E456-K460 WeakPolarHBondContact O-CG 3.42Å; E456-K460 PolarHBondContact O-N 3.24Å; E456-K460 IonicContact OE2-NZ 3.41Å; E456-K460 PolarHBondContact OE2-NZ 2.99Å
457D34.5Very low33.1Very low98 Ų98141.8 Ų141.852%0.52465%0.651SS.*Hα-helixtrans-73.8-30.2-177.7-76.5-17.5000113F453 R461F453-D457 PolarHBondContact O-N 3.47Å; D457-R461 PolarHBondContact O-N 2.87Å
458S31.2Very low32.4Very low67 Ų67145.5 Ų145.547%0.46966%0.658SS.*Hα-helixtrans-67.1-37.1171.5450000112.3R454 K455R454-S458 PolarHBondContact O-OG 2.81Å; K455-S458 WeakPolarHBondContact CA-OG 3.34Å; K455-S458 PolarHBondContact O-OG 3.09Å
459S35.8Very low31.9Very low71 Ų71145.8 Ų145.850%0.49767%0.67SS.*Hα-helixtrans-77.4-27.7176.6520000113.8K455 E456K455-S459 PolarHBondContact O-N 3.37Å; K455-S459 PolarHBondContact O-OG 2.93Å; E456-S459 WeakPolarHBondContact CA-OG 3.26Å; E456-S459 PolarHBondContact O-N 2.9Å; E456-S459 PolarHBondContact O-OG 3.08Å
460K33.2Very low30.8Very low125 Ų125151.1 Ų151.154%0.54369%0.688SS.*Hα-helixtrans-70-31.7174.6-72.1162.9-166.8164.20113.5E456 I462E456-K460 WeakPolarHBondContact O-CD 3.48Å; E456-K460 VanDerWaalsContact O-CG 3.26Å; E456-K460 WeakPolarHBondContact O-CG 3.42Å; E456-K460 PolarHBondContact O-N 3.24Å; E456-K460 IonicContact OE2-NZ 3.41Å; E456-K460 PolarHBondContact OE2-NZ 2.99Å; K460-I462 VanDerWaalsContact C-N 3.31Å; K460-I462 PolarHBondContact O-N 2.86Å
461R28.2Very low30.2Very low222 Ų222148.1 Ų148.184%0.83869%0.686SS**G310 helixtrans-70.7-16.6-179.4-75.9-174176.9-165.4-0.9115.3D457D457-R461 PolarHBondContact O-N 2.87Å
462I30.9Very low29.7Very low135 Ų135148.3 Ų148.369%0.69270%0.696SS**G310 helixtrans-86.6-8.2-171.3-68.6172.3000113.7K460K460-I462 VanDerWaalsContact C-N 3.31Å; K460-I462 PolarHBondContact O-N 2.86Å
463R27.8Very low29Very low231 Ų231151.4 Ų151.487%0.87271%0.712SS**G310 helixtrans-106.412.5-168.3-82.6-171.7168.6-167.7-2.6118.3
464K27.5Very low28.4Very low207 Ų207152.7 Ų152.790%0.973%0.725SS**SBendtrans-140.166.1176.6-75.5-169176.7179.20115.3
465S25.4Very low27.8Very low98 Ų98152 Ų15269%0.68573%0.727SS**  trans-151.115.2169.857.80000117.4
466H23.4Very low27.2Very low185 Ų185151.3 Ų151.386%0.85673%0.726SS**  trans-128.796.3174.4-80-58.8000114.4
467K23.3Very low26.5Very low207 Ų207156.5 Ų156.590%0.974%0.741SS**  trans-154.5105.3150.3-101.2-171.7-178.9-178.50109.8
468R22.8Very low25.9Very low246 Ų246156.5 Ų156.593%0.92876%0.755SS**  trans-139.3159.1158.4-89.8-164176.6-167.7-0.8108.4
469P26.7Very low25.3Very low131 Ų131158.8 Ų158.885%0.85177%0.771SS**  trans-80179-154.231.3-36.7000115.3
470K21.8Very low24.7Very low177 Ų177159.3 Ų159.377%0.7778%0.78SS**  trans-85150-165.6-90.5-178153.5-136.20115.7
471D21.4Very low24.1Very low121 Ų121162.9 Ų162.965%0.64780%0.795SS**  trans64.3159.8139.1-63.5-35.7000118.5
472P28.8Very low23.7Very low124 Ų124160.6 Ų160.681%0.80579%0.794SS**  cis-119.3173.9434.6-16.9000115.9
473Q23.5Very low23.1Very low179 Ų179163.9 Ų163.984%0.83680%0.798SS**  trans-67.2149.6177.4-56.7164.1-17.100112.8
474N23.7Very low22.8Very low152 Ų152158.5 Ų158.581%0.81379%0.79SS**  -155168.9126.9-131.2-31.1000114.4
475K23.2Very low22.6Very low168 Ų168154.7 Ų154.773%0.7378%0.779SS**  trans-70.3173.6-179.2-56.9160.5-1801700111
476E22.6Very low22.4Very low132 Ų132158.4 Ų158.462%0.61778%0.783SS**  cis-166.2157.327.7-151.9168.9-106.500114.7
477R21.6Very low22.3Very low211 Ų211158.8 Ų158.880%0.79678%0.782SS**  trans60.6139.6144.2-96.5169.9-171.7144.7-8.6125.2
478A21Very low22.2Very low98 Ų98157.7 Ų157.781%0.8178%0.778SS**  trans88.8165.7133.300000119.7
479S19.7Very low22.3Very low114 Ų114154.6 Ų154.680%0.79777%0.771SS**  trans-142.2159.1-151.554.20000114.2
480A21.7Very low22Very low83 Ų83158.9 Ų158.969%0.68677%0.77SS**  trans73.8125.915800000120.1
481K21.1Very low22Very low199 Ų199159.3 Ų159.387%0.86577%0.772SS**  trans58.7122.8149.5-59.7172.2179.6177.50118.6
482E19.3Very low22.3Very low174 Ų174161.1 Ų161.181%0.81378%0.781SS**  -165.7-148.487-122.9-153.4146.500114.6
483R19.3Very low22.2Very low205 Ų205161.3 Ų161.377%0.77478%0.78SS**  trans-117.4128.7-147.5-86.6170.2144.1-179-6.7116.4
484T21.3Very low22.2Very low117 Ų117159.3 Ų159.372%0.71877%0.774SS**  trans73.1159.513369.80000123.5
485L22.8Very low22.2Very low128 Ų128157.2 Ų157.267%0.6777%0.767SS**  trans89.6114.5149.8-71.2161.1000122.6
486K21.3Very low22.3Very low176 Ų176156.2 Ų156.277%0.76577%0.765SS**  trans71.1159.4144.1-67.9163.7-179.3159.20115.6
487K21Very low22.4Very low192 Ų192157.1 Ų157.184%0.83577%0.771SS**  cis-159.4133.617.7-139.8162.6-174.5179.30113.4
488K21.6Very low22.5Very low185 Ų185154.1 Ų154.180%0.80478%0.776SS**  trans-4153.3153.9-92.6173.9174.61710122.9
489K24.1Very low22.7Very low180 Ų180153 Ų15378%0.78377%0.774SS**  trans86.2156.5150.7-74.4168.5-174.8-1760116.8
490R21.5Very low22.8Very low221 Ų221155.9 Ų155.983%0.83477%0.772SS**  cis-153.4134.621.6-140.2159.3-179.9173.9-3.2114.3
491K22.6Very low23.1Very low186 Ų186156.4 Ų156.481%0.80977%0.769SS**  trans44.7126.7131.7-72.7-161.7162.4-157.40125
492L27.5Very low23.1Very low159 Ų159153 Ų15383%0.83276%0.755SS**  -17.6147127.2-67.4155.6000119.6
493T25.2Very low23.2Very low128 Ų128152 Ų15279%0.78575%0.751SS**  -167.1161.5122.123.90000108.3
494L24.1Very low23.3Very low137 Ų137147.7 Ų147.772%0.71774%0.743SS**  cis-136.5178.46.4-151.268000106.2
495T23.6Very low23.3Very low109 Ų109151.3 Ų151.367%0.66974%0.743SS**  cis-151.9138.26.3-30.50000103.5
496Q25.8Very low23.2Very low146 Ų146152.1 Ų152.168%0.68274%0.743SS**  58129.763.4-70.8-172.2-24.800113.6
497M24.6Very low23.2Very low152 Ų152153.1 Ų153.175%0.74975%0.751SS**  cis-167169.24.1-134.2164.117700114.8
498V24.1Very low23.2Very low147 Ų147147.8 Ų147.889%0.89175%0.75SS**  trans78.4131.4156.5172.20000120.1
499G23.5Very low23.2Very low75 Ų75146.4 Ų146.477%0.77375%0.752SS**  trans157.1107.1165.900000115.4
500K22.4Very low23.1Very low175 Ų175144.8 Ų144.876%0.76176%0.756SS**  trans-159.8166.4171.6-117.8-151.5176.3-163.40107.3E502K500-E502 WeakPolarHBondContact CE-OE1 3.44Å; K500-E502 IonicContact NZ-OE1 3.23Å; K500-E502 PolarHBondContact NZ-OE1 2.84Å
501P28.4Very low23.2Very low94 Ų94143 Ų14361%0.6176%0.758SS**  cis-138.1-173.913.347-29.3000116.2
502E20.4Very low23Very low126 Ų126143.8 Ų143.859%0.58976%0.764SS**  trans26.8154.2130-70122.4-141.500122.5K500K500-E502 WeakPolarHBondContact CE-OE1 3.44Å; K500-E502 IonicContact NZ-OE1 3.23Å; K500-E502 PolarHBondContact NZ-OE1 2.84Å
503E22.8Very low22.6Very low154 Ų154139.9 Ų139.972%0.7276%0.762SS**  cis-164.5166.116.7-137.2173.6-142.200117
504L21.2Very low22.3Very low115 Ų115144.4 Ų144.460%0.60277%0.767SS**  trans84.1117.8148.8-69.4179.6000125.5
505R20.7Very low22Very low192 Ų192144.2 Ų144.273%0.72578%0.775SS**  trans79143.2140.1-61167.4-170.6-118.810.7120.1
506E20.8Very low21.8Very low145 Ų145148.2 Ų148.268%0.67878%0.778SS**  cis-150.3149.9-4.6-121.1153.5-135.800111.2
507E21.5Very low21.5Very low198 Ų198148.5 Ų148.593%0.92578%0.779SS**  trans8.5139.3171.6-56.5-176.4164.100123.5
508G20.6Very low21.3Very low79 Ų79149.8 Ų149.881%0.81479%0.787SS**  trans173.8-5.8163.600000122.6
509D21.4Very low21Very low156 Ų156148.1 Ų148.183%0.83478%0.783SS**  trans-91.7153.1-165-79.7-51.2000117.9
510V22.4Very low20.8Very low146 Ų146150.5 Ų150.589%0.88579%0.787SS**  trans-132.2113.6161.1176.60000108.3
511E22.9Very low20.6Very low185 Ų185147.5 Ų147.586%0.86479%0.788SS**  trans-86.1146.5-169.4-63.3-178.9117.900115.1
512E20.1Very low20.7Very low202 Ų202148.4 Ų148.494%0.94479%0.794SS**  trans-93.4134.4150.9-64-171.5125.300109.4
513G18.9Very low20.6Very low77 Ų77150.5 Ų150.579%0.79480%0.804SS**  trans-179.192.7-18000000117.8
514Y19.2Very low20.5Very low223 Ų223148.5 Ų148.588%0.87581%0.807SS**  trans-33.5144167.8-100.7-93.6000118.1
515C18.1Very low20.5Very low133 Ų133149.1 Ų149.190%0.89982%0.82SS**  trans-147.1163140.7-160.40000111.7
516R18.4Very low20.5Very low193 Ų193148 Ų14873%0.72883%0.827SS**  trans-127.5142.8-164.3-139.7-177.4172.7138.52112.9
517E20.3Very low20.6Very low151 Ų151150.4 Ų150.471%0.70684%0.838SS**  trans50.3110.9151.3-73.2161.1-138.400121
518I18.7Very low20.7Very low179 Ų179149.6 Ų149.692%0.91883%0.834SS**  trans-131.8144136.4-64.8-174.2000108.2
519S18.5Very low20.7Very low113 Ų113152.6 Ų152.679%0.7983%0.83SS**  trans-110.5140.6-167.959.10000115
520S18.9Very low20.7Very low125 Ų125154.6 Ų154.687%0.87483%0.831SS**  trans-158.1126.9154.857.90000112.9
521S19.8Very low20.7Very low112 Ų112155.3 Ų155.378%0.78383%0.825SS**  trans-112.8178.3168.457.90000109.4
522P29.7Very low20.8Very low112 Ų112155.8 Ų155.873%0.72783%0.827SS**  cis-118.4-162.71.328.4-2.5000110.8
523E18.8Very low20.9Very low171 Ų171154.6 Ų154.680%0.79982%0.821SS**  cis-156.1-177.833.5-69.3-173.4128.500113.6
524S20.1Very low21.1Very low111 Ų111158 Ų15878%0.77682%0.815SS**  trans6793161.358.50000120.4
525C20.7Very low21.2Very low129 Ų129153.9 Ų153.987%0.87281%0.808SS**  trans11.3114.6137.2-510000120.4
526L21.6Very low21.8Very low169 Ų169153.4 Ų153.489%0.88580%0.801SS**  trans-166.9102.7131.4-106165.6000108.2
527E21.7Very low22.1Very low195 Ų195151 Ų15191%0.91180%0.802SS**  trans-89.1106174.9-73.1-172138.100109.8
528E23.2Very low22.5Very low181 Ų181150.7 Ų150.785%0.84681%0.805SS**  trans-72138.1168.8-68.5-172.9141.300110.9K530E528-K530 PolarHBondContact O-N 3.38Å; E528-K530 VanDerWaalsContact O-N 3.11Å
529I21.9Very low22.9Very low142 Ų142145.8 Ų145.873%0.72879%0.786SS**  trans-72.6106.1-178.2-60.9170.6000109.1H531I529-H531 PolarHBondContact O-N 3.01Å
530K22Very low23.6Very low197 Ų197144.3 Ų144.386%0.85778%0.776SS**  trans-70.2101.2167.3-71.8-168.9176.7-173.70109.9E528 E532E528-K530 PolarHBondContact O-N 3.38Å; E528-K530 VanDerWaalsContact O-N 3.11Å; K530-E532 PolarHBondContact O-N 3.34Å
531H22Very low24.4Very low162 Ų162143.9 Ų143.975%0.7576%0.764SS**  trans-64.5116.8160-76.6-95.4000108.9I529 E533I529-H531 PolarHBondContact O-N 3.01Å; H531-E533 PolarHBondContact O-N 3.19Å
532E23.4Very low25Very low195 Ų195141 Ų14191%0.91175%0.747SS**  trans-71.8107.3162.6-71.5-175.1161.400108.1K530K530-E532 PolarHBondContact O-N 3.34Å
533E22.7Very low25.5Very low176 Ų176137.1 Ų137.182%0.82272%0.724SS**  trans-64.9153174-63-171.2117.100110.7H531 D535H531-E533 PolarHBondContact O-N 3.19Å; E533-D535 PolarHBondContact O-N 3.35Å; E533-D535 VanDerWaalsContact O-N 3.14Å
534F23.6Very low26.7Very low150 Ų150133.7 Ų133.766%0.65871%0.705SS**  trans-73.9104.9170.3-107-106.5000108.6V536F534-V536 HydrophobicContact CB-CG2 4.4Å; F534-V536 PolarHBondContact O-N 3.39Å
535D21.4Very low27.7Very low136 Ų136129.5 Ų129.573%0.72768%0.679SS**  trans-68.595.8168.8-124-32.2000109.3E533 N537E533-D535 PolarHBondContact O-N 3.35Å; E533-D535 VanDerWaalsContact O-N 3.14Å; D535-N537 VanDerWaalsContact C-N 3.26Å
536V30.4Very low28.8Very low123 Ų123129.3 Ų129.375%0.74567%0.668SS**  trans-81.8-11.4175.4-175.30000110.8F534 L538F534-V536 HydrophobicContact CB-CG2 4.4Å; F534-V536 PolarHBondContact O-N 3.39Å; V536-L538 PolarHBondContact O-N 2.92Å; V536-L538 VanDerWaalsContact O-N 3.08Å
537N24.5Very low30.1Very low143 Ų143123.3 Ų123.377%0.76564%0.637SS**  trans-85.159174.6-67.7-31.8000111.8D535 S539D535-N537 VanDerWaalsContact C-N 3.26Å; N537-S539 PolarHBondContact O-N 2.94Å
538L29.2Very low31Very low144 Ų144122.3 Ų122.375%0.75463%0.629SS**  trans-63.6102162.2-83.2165.9000108.5V536 S540 A542V536-L538 PolarHBondContact O-N 2.92Å; V536-L538 VanDerWaalsContact O-N 3.08Å; L538-S540 PolarHBondContact O-N 3.4Å; L538-A542 HydrophobicContact CD2-CB 4.49Å
539S26.5Very low32Very low76 Ų76121.8 Ų121.853%0.53163%0.627SS.*  trans-54.9137.9168.6-179.70000109.6N537 D541 A542N537-S539 PolarHBondContact O-N 2.94Å; S539-D541 PolarHBondContact O-N 3.04Å; S539-A542 WeakPolarHBondContact O-CB 3.3Å; S539-A542 PolarHBondContact O-N 3.32Å
540S34.3Very low33.5Very low81 Ų81116.4 Ų116.457%0.56660%0.601SS**G310 helixtrans-57.9-23.5-177.5-161.60000113L538 A543L538-S540 PolarHBondContact O-N 3.4Å; S540-A543 WeakPolarHBondContact O-CB 3.37Å
541D35.1Very low35.5Very low117 Ų117110.2 Ų110.263%0.62658%0.577SS**G310 helixtrans-82-12.7179.1-58.9-39.4000113.7S539 A543 Y544S539-D541 PolarHBondContact O-N 3.04Å; D541-A543 PolarHBondContact O-N 3.07Å; D541-Y544 WeakPolarHBondContact O-CD2 3.42Å
542A32.9Very low38.1Very low51 Ų51103.3 Ų103.342%0.42155%0.546SS..G310 helixtrans-73.6-3.217300000113.1R421 L538 S539R421-A542 PolarHBondContact NH1-O 3.37Å; R421-A542 PolarHBondContact NH2-O 2.87Å; L538-A542 HydrophobicContact CD2-CB 4.49Å; S539-A542 WeakPolarHBondContact O-CB 3.3Å; S539-A542 PolarHBondContact O-N 3.32Å
543A40.2Very low41.1Very low31 Ų3195.1 Ų95.126%0.25651%0.508SS..G310 helixtrans-70.9-25.2176.400000113.5R421 S540 D541 G545R421-A543 PolarHBondContact NH2-O 2.92Å; S540-A543 WeakPolarHBondContact O-CB 3.37Å; D541-A543 PolarHBondContact O-N 3.07Å; A543-G545 PolarHBondContact O-N 3.12Å
544Y43.6Very low44.2Very low99 Ų9987.2 Ų87.239%0.38847%0.472SS..  trans-8475.3-173.8-54.2-67.3000113.2D541 I546 V569D541-Y544 WeakPolarHBondContact O-CD2 3.42Å; Y544-I546 PolarHBondContact O-N 3.07Å; Y544-I546 VanDerWaalsContact O-N 3.16Å; Y544-V569 HydrophobicContact CE1-CG2 4.17Å
545G40.5Very low47.1Very low23 Ų2380.1 Ų80.124%0.23744%0.441CS..  trans-77.291.9172.200000111.9A543 L547A543-G545 PolarHBondContact O-N 3.12Å; G545-L547 PolarHBondContact O-N 3.29Å; G545-L547 VanDerWaalsContact O-N 3.16Å
546I44.7Very low50.3Low124 Ų12474 Ų7464%0.63641%0.408SS*.  trans-74.3100.6172.3-56.5174.2000109Y544 L551Y544-I546 PolarHBondContact O-N 3.07Å; Y544-I546 VanDerWaalsContact O-N 3.16Å; I546-L551 HydrophobicContact CG2-CD2 3.72Å
547L47.6Very low52.7Low44 Ų4469.2 Ų69.223%0.2338%0.378CS..BIsolated β-bridgetrans-86.4143.8170.1-63.6174.3000109.7I424 T425 G545 L551 T552I424-L547 HydrophobicContact CG2-CD1 3.91Å; T425-L547 HydrophobicContact CG2-CD2 4Å; G545-L547 PolarHBondContact O-N 3.29Å; G545-L547 VanDerWaalsContact O-N 3.16Å; L547-L551 WeakPolarHBondContact O-CA 3.31Å; L547-T552 WeakPolarHBondContact CB-OG1 3.49Å
548K41.9Very low54.9Low173 Ų17365.6 Ų65.675%0.75236%0.359SS*.THydrogen-bonded Turntrans-86.6149.7-177-76.1-168.3168.7-160.10112.4P550K548-P550 CarbonylContact C-O 3.39Å
549E44.3Very low56.3Low170 Ų17061.6 Ų61.679%0.79435%0.352SS*.THydrogen-bonded Turntrans75.854.214641.996.4-155.800115.8
550P52.9Low57.9Low29 Ų2959.7 Ų59.719%0.18834%0.339CS..THydrogen-bonded Turncis-83164.45.534.4-36.8000113.8K548 T552K548-P550 CarbonylContact C-O 3.39Å; P550-T552 PolarHBondContact O-N 3.19Å; P550-T552 PolarHBondContact O-OG1 3.48Å
551L63.7Low59.1Low68 Ų6861.2 Ų61.236%0.35635%0.349SS..THydrogen-bonded Turntrans-64.1100.3177.3-68.7171000110.6Q406 V407 I546 L547Q406-L551 HydrophobicContact CG-CB 4.18Å; Q406-L551 HydrophobicContact CG-CD1 4.14Å; V407-L551 PolarHBondContact N-O 3.36Å; I546-L551 HydrophobicContact CG2-CD2 3.72Å; L547-L551 WeakPolarHBondContact O-CA 3.31Å
552T77.7Confident61Low17 Ų1757.1 Ų57.110%0.10433%0.327CS..EExtended strand (participates in β ladder)trans-102.8118.9175.1330000109L388 V407 L547 P550L388-T552 HydrophobicContact CD2-CG2 4.24Å; V407-T552 HydrophobicContact CB-CG2 3.85Å; V407-T552 HydrophobicContact CG1-CG2 4.27Å; V407-T552 HydrophobicContact CG2-CG2 4.29Å; V407-T552 WeakPolarHBondContact O-CA 3.27Å; L547-T552 WeakPolarHBondContact CB-OG1 3.49Å; P550-T552 PolarHBondContact O-N 3.19Å; P550-T552 PolarHBondContact O-OG1 3.48Å
553I84.9Confident63.1Low22 Ų2258.1 Ų58.111%0.11333%0.329CS..EExtended strand (participates in β ladder)trans-116.8131.2-179-63.9173.6000107.9V407 L408 I409 V573V407-I553 PolarHBondContact O-N 3.34Å; L408-I553 HydrophobicContact CD1-CB 4.21Å; L408-I553 HydrophobicContact CD1-CG2 3.93Å; I409-I553 PolarHBondContact N-O 3.13Å; I553-V573 HydrophobicContact CD1-CB 4.41Å; I553-V573 HydrophobicContact CD1-CG1 3.93Å; I553-V573 HydrophobicContact CD1-CG2 3.52Å
554I87.4Confident65Low11 Ų1157 Ų576%0.05632%0.319CS..EExtended strand (participates in β ladder)trans-108.7126.5178.6-50.8176.4000108.1I409 C417 L420 R421 I424I409-I554 HydrophobicContact CB-CG1 4.39Å; I409-I554 HydrophobicContact CD1-CG1 4.44Å; I409-I554 WeakPolarHBondContact O-CA 3.39Å; C417-I554 HydrophobicContact CB-CG2 3.75Å; L420-I554 HydrophobicContact CB-CD1 4.31Å; R421-I554 HydrophobicContact CB-CD1 4.11Å; I424-I554 HydrophobicContact CD1-CD1 4.16Å
555H85.8Confident66.7Low1 Ų152.4 Ų52.41%0.00530%0.301CS..EExtended strand (participates in β ladder)trans-128.9137.1-179.8-160.9-76.9000111.9L408 I409 C410 A411 L566L408-H555 HydrophobicContact CD1-CB 4.13Å; I409-H555 PolarHBondContact O-N 3.25Å; C410-H555 WeakPolarHBondContact CA-O 3.49Å; A411-H555 PolarHBondContact N-O 2.75Å; H555-L566 HydrophobicContact CB-CD1 4.21Å
556P88.4Confident68.8Low7 Ų751.8 Ų51.85%0.04529%0.292CS..EExtended strand (participates in β ladder)trans-68.8137.4171.130.6-37.6000111.1A411 D414 C417A411-P556 CarbonylContact O-C 3.59Å; A411-P556 WeakPolarHBondContact O-CA 3.32Å; D414-P556 WeakPolarHBondContact OD1-CB 3.41Å; D414-P556 VanDerWaalsContact OD1-CG 3.3Å; D414-P556 WeakPolarHBondContact OD1-CG 3.25Å; C417-P556 VanDerWaalsContact SG-CA 3.56Å
557L80.3Confident70.7Confident23 Ų2347 Ų4712%0.1227%0.268CS..SBendtrans-81.6-31.6177.1-17856.8000111.3A411 S412 L566 E584 F587A411-L557 WeakPolarHBondContact O-CB 3.49Å; A411-L557 PolarHBondContact O-N 3.38Å; S412-L557 PolarHBondContact O-N 3.38Å; L557-L566 HydrophobicContact CD1-CD2 3.55Å; L557-E584 HydrophobicContact CD2-CB 3.8Å; L557-F587 HydrophobicContact CD1-CB 3.63Å; L557-F587 HydrophobicContact CD1-CD1 4.09Å; L557-F587 HydrophobicContact CD1-CG 3.93Å
558L69.9Low72.4Confident67 Ų6748.5 Ų48.535%0.35127%0.271SS..SBendtrans-140.5138.9178.3-61.5170.4000109.3S412S412-L558 PolarHBondContact O-N 3.47Å
559G60Low74.4Confident60 Ų6040.6 Ų40.662%0.61924%0.237SC*.  trans132.8-33.7179.400000113.5
560C59.3Low76.4Confident36 Ų3632.7 Ų32.724%0.24320%0.2CC..  trans-51.7140171.5-58.40000111.4D562 A565C560-D562 PolarHBondContact O-N 3.07Å; C560-A565 HydrophobicContact CB-CB 3.84Å
561S61Low77.8Confident113 Ų11333.1 Ų33.179%0.7920%0.2SC*.SBendtrans-64.5-28.5176-161.80000111.9
562D74.9Confident78.7Confident31 Ų3135.9 Ų35.917%0.16621%0.211CC..SBendtrans-105.6118.5176.661.2-48.1000112.1A67 C560 Y564 A565 R568A67-D562 HydrophobicContact CB-CB 3.84Å; C560-D562 PolarHBondContact O-N 3.07Å; D562-Y564 PolarHBondContact O-N 3.18Å; D562-A565 PolarHBondContact O-N 3.33Å; D562-A565 VanDerWaalsContact O-N 3.17Å; D562-A565 VanDerWaalsContact OD2-CA 3.28Å; D562-A565 WeakPolarHBondContact OD2-CA 3.37Å; D562-A565 WeakPolarHBondContact OD2-CB 3.3Å; D562-A565 PolarHBondContact OD2-N 3.1Å; D562-A565 VanDerWaalsContact OD2-N 3.13Å; D562-R568 IonicContact OD2-CZ 3.28Å; D562-R568 IonicContact OD2-NH2 3.39Å; D562-R568 PolarHBondContact OD2-NH2 2.85Å
563P75.3Confident78.9Confident72 Ų7235.8 Ų35.847%0.46821%0.21SC..THydrogen-bonded Turntrans-59.1-17.3174.9-26.435.6000114.8
564Y80.3Confident78.9Confident7 Ų738.6 Ų38.63%0.02722%0.223CC..THydrogen-bonded Turntrans-92.7-2.5-178.9-63.7-59.1000114.7D42 E68 Y71 F72 Y134 D562 L566 T567 R568D42-Y564 HydrophobicContact CB-CE1 4.26Å; D42-Y564 WeakPolarHBondContact CB-OH 3.45Å; D42-Y564 WeakPolarHBondContact OD2-CE1 3.49Å; D42-Y564 PolarHBondContact OD2-OH 3.01Å; E68-Y564 HydrophobicContact CB-CD2 4.48Å; E68-Y564 HydrophobicContact CB-CE2 3.9Å; E68-Y564 HydrophobicContact CG-CD2 4.37Å; E68-Y564 HydrophobicContact CG-CE2 3.8Å; Y71-Y564 HydrophobicContact CD1-CD1 4.19Å; Y71-Y564 AromaticContact CD1-CD2 3.44Å; Y71-Y564 HydrophobicContact CD1-CD2 3.44Å; Y71-Y564 VanDerWaalsContact CD1-CD2 3.44Å; Y71-Y564 HydrophobicContact CD1-CE2 4.04Å; Y71-Y564 AromaticContact CD1-CG 3.54Å; Y71-Y564 HydrophobicContact CD1-CG 3.54Å; Y71-Y564 HydrophobicContact CD2-CG 4.34Å; Y71-Y564 HydrophobicContact CE1-CD1 4.01Å; Y71-Y564 HydrophobicContact CE1-CD2 4.11Å; Y71-Y564 AromaticContact CE1-CG 3.76Å; Y71-Y564 HydrophobicContact CE1-CG 3.76Å; Y71-Y564 AromaticContact CG-CD2 3.73Å; Y71-Y564 HydrophobicContact CG-CD2 3.73Å; Y71-Y564 AromaticContact CG-CG 3.85Å; Y71-Y564 HydrophobicContact CG-CG 3.85Å; F72-Y564 HydrophobicContact CE2-CE2 4.35Å; F72-Y564 HydrophobicContact CZ-CE2 4.04Å; Y134-Y564 PolarHBondContact OH-OH 3.27Å; D562-Y564 PolarHBondContact O-N 3.18Å; Y564-L566 VanDerWaalsContact C-N 3.33Å; Y564-L566 PolarHBondContact O-N 2.89Å; Y564-T567 PolarHBondContact O-N 3.01Å; Y564-T567 VanDerWaalsContact O-N 3.1Å; Y564-R568 WeakPolarHBondContact O-CB 3.45Å; Y564-R568 PolarHBondContact O-N 3.32Å
565A80.8Confident78.9Confident2 Ų238.3 Ų38.32%0.01722%0.222CC..Hα-helixtrans-49.4-52.9177.400000112C560 D562 T567 R568 V569C560-A565 HydrophobicContact CB-CB 3.84Å; D562-A565 PolarHBondContact O-N 3.33Å; D562-A565 VanDerWaalsContact O-N 3.17Å; D562-A565 VanDerWaalsContact OD2-CA 3.28Å; D562-A565 WeakPolarHBondContact OD2-CA 3.37Å; D562-A565 WeakPolarHBondContact OD2-CB 3.3Å; D562-A565 PolarHBondContact OD2-N 3.1Å; D562-A565 VanDerWaalsContact OD2-N 3.13Å; A565-T567 VanDerWaalsContact C-N 3.33Å; A565-T567 PolarHBondContact O-N 3.24Å; A565-R568 VanDerWaalsContact O-CB 3.31Å; A565-R568 WeakPolarHBondContact O-CB 3.45Å; A565-R568 PolarHBondContact O-N 2.6Å; A565-V569 WeakPolarHBondContact O-CG2 3.35Å; A565-V569 PolarHBondContact O-N 3.35Å
566L83.4Confident79Confident11 Ų1140.7 Ų40.76%0.05823%0.231CC..Hα-helixtrans-64.6-35.9-178.4-178.356.1000112.4L408 H555 L557 Y564 L570 F587L408-L566 HydrophobicContact CD2-CD1 4.42Å; H555-L566 HydrophobicContact CB-CD1 4.21Å; L557-L566 HydrophobicContact CD1-CD2 3.55Å; Y564-L566 VanDerWaalsContact C-N 3.33Å; Y564-L566 PolarHBondContact O-N 2.89Å; L566-L570 VanDerWaalsContact O-CB 3.28Å; L566-L570 WeakPolarHBondContact O-CB 3.08Å; L566-L570 PolarHBondContact O-N 2.92Å; L566-F587 HydrophobicContact CD1-CE2 3.88Å; L566-F587 HydrophobicContact CD1-CZ 3.9Å; L566-F587 HydrophobicContact CD2-CB 4.47Å; L566-F587 HydrophobicContact CD2-CD1 4.18Å; L566-F587 HydrophobicContact CD2-CD2 3.41Å; L566-F587 VanDerWaalsContact CD2-CD2 3.41Å; L566-F587 HydrophobicContact CD2-CE1 4.25Å; L566-F587 HydrophobicContact CD2-CE2 3.5Å; L566-F587 HydrophobicContact CD2-CG 3.78Å; L566-F587 HydrophobicContact CD2-CZ 3.94Å; L566-F587 HydrophobicContact CG-CD2 3.87Å; L566-F587 HydrophobicContact CG-CE2 3.51Å; L566-F587 HydrophobicContact CG-CZ 4.03Å
567T84.3Confident79Confident22 Ų2240.4 Ų40.414%0.13523%0.229CC..Hα-helixtrans-68.9-38.8175.5-56.10000111.9Y564 A565 H571Y564-T567 PolarHBondContact O-N 3.01Å; Y564-T567 VanDerWaalsContact O-N 3.1Å; A565-T567 VanDerWaalsContact C-N 3.33Å; A565-T567 PolarHBondContact O-N 3.24Å; T567-H571 PolarHBondContact O-CD2 3.07Å; T567-H571 PolarHBondContact O-N 2.94Å
568R83.4Confident79.6Confident77 Ų7739.3 Ų39.329%0.29122%0.223SC..Hα-helixtrans-60.3-53.5174.4-170.1-154.8-45.7-90.80.9110.5Y71 D562 Y564 A565 L570 H571 E572Y71-R568 HydrophobicContact CE2-CB 4.39Å; D562-R568 IonicContact OD2-CZ 3.28Å; D562-R568 IonicContact OD2-NH2 3.39Å; D562-R568 PolarHBondContact OD2-NH2 2.85Å; Y564-R568 WeakPolarHBondContact O-CB 3.45Å; Y564-R568 PolarHBondContact O-N 3.32Å; A565-R568 VanDerWaalsContact O-CB 3.31Å; A565-R568 WeakPolarHBondContact O-CB 3.45Å; A565-R568 PolarHBondContact O-N 2.6Å; R568-L570 VanDerWaalsContact C-N 3.34Å; R568-L570 PolarHBondContact O-N 3.21Å; R568-H571 PolarHBondContact O-N 3.39Å; R568-H571 VanDerWaalsContact O-N 3.13Å; R568-E572 WeakPolarHBondContact O-CG 3.34Å; R568-E572 PolarHBondContact O-N 2.59Å
569V85.1Confident80.6Confident6 Ų636.1 Ų36.14%0.03621%0.206CC..Hα-helixtrans-61.1-40.3179.3170.70000111.6L408 Y544 A565 H571 E572 V573L408-V569 HydrophobicContact CD1-CG1 4.27Å; Y544-V569 HydrophobicContact CE1-CG2 4.17Å; A565-V569 WeakPolarHBondContact O-CG2 3.35Å; A565-V569 PolarHBondContact O-N 3.35Å; V569-H571 VanDerWaalsContact C-N 3.31Å; V569-H571 PolarHBondContact O-N 2.88Å; V569-E572 PolarHBondContact O-N 2.92Å; V569-V573 HydrophobicContact CG1-CG2 3.82Å; V569-V573 VanDerWaalsContact O-CB 3.27Å; V569-V573 WeakPolarHBondContact O-CB 3.39Å; V569-V573 VanDerWaalsContact O-CG2 3.26Å; V569-V573 WeakPolarHBondContact O-CG2 3.35Å; V569-V573 PolarHBondContact O-N 3.08Å
570L86Confident82.2Confident4 Ų433.4 Ų33.42%0.02118%0.178CC..Hα-helixtrans-58.2-42.6175.5-155.5-176.2000111.6L566 R568 E574 F587 L591 Y594L566-L570 VanDerWaalsContact O-CB 3.28Å; L566-L570 WeakPolarHBondContact O-CB 3.08Å; L566-L570 PolarHBondContact O-N 2.92Å; R568-L570 VanDerWaalsContact C-N 3.34Å; R568-L570 PolarHBondContact O-N 3.21Å; L570-E574 PolarHBondContact O-N 3.47Å; L570-E574 VanDerWaalsContact O-N 3.13Å; L570-F587 HydrophobicContact CD1-CE2 4.01Å; L570-L591 HydrophobicContact CD1-CD2 4.14Å; L570-Y594 HydrophobicContact CD1-CG 4.38Å; L570-Y594 HydrophobicContact CD2-CD1 3.58Å; L570-Y594 HydrophobicContact CD2-CD2 3.37Å; L570-Y594 HydrophobicContact CD2-CE1 3.66Å; L570-Y594 HydrophobicContact CD2-CE2 3.43Å; L570-Y594 VanDerWaalsContact CD2-CE2 3.43Å; L570-Y594 HydrophobicContact CD2-CG 3.43Å; L570-Y594 VanDerWaalsContact CD2-CG 3.43Å
571H83Confident83.6Confident39 Ų3931.7 Ų31.718%0.18117%0.166CC..Hα-helixtrans-72.8-29.5176.4-74.6-53.9000114.3T567 R568 V569 Y594T567-H571 PolarHBondContact O-CD2 3.07Å; T567-H571 PolarHBondContact O-N 2.94Å; R568-H571 PolarHBondContact O-N 3.39Å; R568-H571 VanDerWaalsContact O-N 3.13Å; V569-H571 VanDerWaalsContact C-N 3.31Å; V569-H571 PolarHBondContact O-N 2.88Å; H571-Y594 AromaticContact ND1-CE2 3.95Å
572E82.4Confident84.8Confident125 Ų12526.6 Ų26.658%0.58413%0.13SC*.Hα-helixtrans-80.5-34.9178.9-71.7170.8174.100113R568 V569R568-E572 WeakPolarHBondContact O-CG 3.34Å; R568-E572 PolarHBondContact O-N 2.59Å; V569-E572 PolarHBondContact O-N 2.92Å
573V81.9Confident85Confident15 Ų1525.7 Ų25.79%0.09113%0.127CC..Hα-helixtrans-88.5-31-176.7172.90000112.8Q406 I553 V569 P575Q406-V573 HydrophobicContact CB-CG1 4.2Å; Q406-V573 PolarHBondContact OE1-O 2.93Å; I553-V573 HydrophobicContact CD1-CB 4.41Å; I553-V573 HydrophobicContact CD1-CG1 3.93Å; I553-V573 HydrophobicContact CD1-CG2 3.52Å; V569-V573 HydrophobicContact CG1-CG2 3.82Å; V569-V573 VanDerWaalsContact O-CB 3.27Å; V569-V573 WeakPolarHBondContact O-CB 3.39Å; V569-V573 VanDerWaalsContact O-CG2 3.26Å; V569-V573 WeakPolarHBondContact O-CG2 3.35Å; V569-V573 PolarHBondContact O-N 3.08Å; V573-P575 HydrophobicContact CG1-CB 4.2Å; V573-P575 HydrophobicContact CG1-CG 4.45Å
574E84.8Confident85.4Confident82 Ų8224.5 Ų24.538%0.38312%0.115SC..  trans47.950.2-173.8-49.5-158.712300115L570 Y594 R598 K601L570-E574 PolarHBondContact O-N 3.47Å; L570-E574 VanDerWaalsContact O-N 3.13Å; E574-Y594 WeakPolarHBondContact CA-OH 3.45Å; E574-R598 IonicContact OE1-CZ 2.97Å; E574-R598 VanDerWaalsContact OE1-CZ 3.27Å; E574-R598 IonicContact OE1-NH1 2.74Å; E574-R598 PolarHBondContact OE1-NH1 2.93Å; E574-R598 IonicContact OE1-NH2 3.82Å; E574-R598 PolarHBondContact OE1-NH2 2.8Å; E574-K601 IonicContact OE1-NZ 3.19Å; E574-K601 PolarHBondContact OE1-NZ 3.42Å; E574-K601 IonicContact OE2-NZ 2.9Å; E574-K601 PolarHBondContact OE2-NZ 3.02Å
575P87Confident85.6Confident4 Ų425.1 Ų25.13%0.02612%0.119CC..  trans-61.1141.3-168.926.7-35.3000113.4L408 V573 V578 L603L408-P575 HydrophobicContact CB-CB 3.9Å; L408-P575 HydrophobicContact CB-CG 4.02Å; L408-P575 HydrophobicContact CD2-CG 4.2Å; V573-P575 HydrophobicContact CG1-CB 4.2Å; V573-P575 HydrophobicContact CG1-CG 4.45Å; P575-V578 HydrophobicContact CB-CG2 4.11Å; P575-V578 HydrophobicContact CG-CG2 3.86Å; P575-L603 VanDerWaalsContact O-CD1 3.26Å; P575-L603 WeakPolarHBondContact O-CD1 3.36Å
576R86.8Confident85.9Confident52 Ų5227.1 Ų27.120%0.19613%0.131CC..SBendtrans-83.2-35.6170.5174.3176.2159.8173.7-5.7111S398 Q406 R604S398-R576 PolarHBondContact OG-NH2 3.37Å; Q406-R576 PolarHBondContact O-N 3.46Å; Q406-R576 VanDerWaalsContact O-N 3.1Å; R576-R604 PolarHBondContact O-N 3.3Å; R576-R604 VanDerWaalsContact O-N 3.07Å
577Y89.6Confident86.2Confident0 Ų026.7 Ų26.70%013%0.129CC..EExtended strand (participates in β ladder)trans-122132.2179.4-59.2-81.9000110I391 E394 Q406 V407 L408 R604 Y606I391-Y577 HydrophobicContact CD1-CD1 4.27Å; I391-Y577 HydrophobicContact CD1-CG 4.18Å; I391-Y577 HydrophobicContact CG1-CD1 3.96Å; I391-Y577 HydrophobicContact CG1-CE1 4.24Å; I391-Y577 HydrophobicContact CG1-CG 4.11Å; I391-Y577 HydrophobicContact CG2-CD2 3.67Å; I391-Y577 HydrophobicContact CG2-CE2 3.91Å; I391-Y577 HydrophobicContact CG2-CG 3.99Å; E394-Y577 WeakPolarHBondContact OE2-CE1 3.36Å; E394-Y577 PolarHBondContact OE2-OH 2.89Å; Q406-Y577 PolarHBondContact O-N 2.92Å; V407-Y577 WeakPolarHBondContact CA-O 3.34Å; V407-Y577 HydrophobicContact CG2-CD2 4.49Å; L408-Y577 PolarHBondContact N-O 2.72Å; Y577-R604 WeakPolarHBondContact CA-O 3.49Å; Y577-R604 HydrophobicContact CD1-CB 3.96Å; Y577-R604 HydrophobicContact CE1-CB 4.35Å; Y577-Y606 HydrophobicContact CD1-CE2 4.03Å
578V91.8Very high86.5Confident0 Ų026.9 Ų26.90%013%0.13CC..EExtended strand (participates in β ladder)trans-122.6130.4174.2178.40000108.6L408 P575 L580 F587 L591 L603 R604 V605 Y606L408-V578 HydrophobicContact CB-CG2 4.41Å; L408-V578 WeakPolarHBondContact O-CA 3.46Å; P575-V578 HydrophobicContact CB-CG2 4.11Å; P575-V578 HydrophobicContact CG-CG2 3.86Å; V578-L580 HydrophobicContact CG1-CD2 3.84Å; V578-L580 HydrophobicContact CG1-CG 4.49Å; V578-F587 HydrophobicContact CG1-CE1 4.24Å; V578-L591 HydrophobicContact CG1-CD1 4.13Å; V578-L591 HydrophobicContact CG1-CD2 4.32Å; V578-L591 HydrophobicContact CG2-CD2 4.08Å; V578-L603 HydrophobicContact CG2-CD1 3.83Å; V578-R604 PolarHBondContact N-O 3Å; V578-V605 HydrophobicContact CB-CG2 4.48Å; V578-V605 CarbonylContact O-C 3.49Å; V578-V605 WeakPolarHBondContact O-CA 3.2Å; V578-Y606 PolarHBondContact O-N 2.95Å
579V92.4Very high86.7Confident0 Ų024.2 Ų24.20%012%0.119CC..EExtended strand (participates in β ladder)trans-115.1112.1178-174.40000108.7L384 V387 I391 V407 L408 I409 C410 Y581 Y606 L608L384-V579 HydrophobicContact CD1-CG1 3.75Å; V387-V579 HydrophobicContact CG1-CG2 4.04Å; I391-V579 HydrophobicContact CD1-CG2 4.16Å; V407-V579 HydrophobicContact CG1-CG2 4.31Å; L408-V579 PolarHBondContact O-N 2.81Å; I409-V579 WeakPolarHBondContact CA-O 3.27Å; I409-V579 HydrophobicContact CG1-CB 4.39Å; C410-V579 PolarHBondContact N-O 3.04Å; V579-Y581 PolarHBondContact O-N 3.11Å; V579-Y606 HydrophobicContact CG2-CD2 4.26Å; V579-L608 HydrophobicContact CG1-CD1 3.79Å
580L92Very high86.9Confident3 Ų326.2 Ų26.22%0.01613%0.128CC..EExtended strand (participates in β ladder)trans-88.899.2176.1-55.5-174.9000108.3C410 V578 F587 V588 L591 V605 Y606 F607 L608C410-L580 HydrophobicContact CB-CD2 4.12Å; V578-L580 HydrophobicContact CG1-CD2 3.84Å; V578-L580 HydrophobicContact CG1-CG 4.49Å; L580-F587 HydrophobicContact CD2-CD1 3.58Å; L580-F587 HydrophobicContact CD2-CE1 3.46Å; L580-F587 VanDerWaalsContact CD2-CE1 3.46Å; L580-V588 HydrophobicContact CD1-CG2 3.92Å; L580-L591 HydrophobicContact CD1-CD1 4.36Å; L580-L591 HydrophobicContact CD2-CD1 4.26Å; L580-V605 HydrophobicContact CD1-CG1 3.74Å; L580-V605 HydrophobicContact CG-CG1 3.87Å; L580-Y606 WeakPolarHBondContact CB-O 3.22Å; L580-Y606 PolarHBondContact N-O 3.06Å; L580-F607 HydrophobicContact CD1-CD1 4.06Å; L580-F607 HydrophobicContact CD1-CD2 4.22Å; L580-F607 HydrophobicContact CD1-CE1 3.73Å; L580-F607 HydrophobicContact CD1-CE2 3.9Å; L580-F607 HydrophobicContact CD1-CG 4.31Å; L580-F607 HydrophobicContact CD1-CZ 3.66Å; L580-L608 PolarHBondContact O-N 2.86Å; L580-L608 VanDerWaalsContact O-N 3.09Å
581Y88.9Confident87.1Confident1 Ų126.1 Ų26.10%0.00413%0.128CC..SBendtrans-70.2-36.9176.2-171.8-90.1000110.9K380 W381 L384 C410 A411 T416 L420 V579 L608K380-Y581 HydrophobicContact CB-CE2 3.66Å; K380-Y581 WeakPolarHBondContact CB-OH 3.26Å; K380-Y581 HydrophobicContact CD-CD1 4.19Å; K380-Y581 HydrophobicContact CD-CD2 4.43Å; K380-Y581 HydrophobicContact CD-CE1 3.72Å; K380-Y581 HydrophobicContact CD-CE2 4Å; K380-Y581 WeakPolarHBondContact CE-O 3.25Å; K380-Y581 HydrophobicContact CG-CE2 4.37Å; K380-Y581 PolarHBondContact NZ-O 3.16Å; W381-Y581 PolarHBondContact NE1-OH 2.86Å; L384-Y581 HydrophobicContact CD2-CD2 4.23Å; L384-Y581 HydrophobicContact CD2-CE2 4.38Å; C410-Y581 WeakPolarHBondContact O-CB 3.46Å; C410-Y581 PolarHBondContact O-N 3.39Å; A411-Y581 HydrophobicContact CB-CD1 4.23Å; A411-Y581 HydrophobicContact CB-CG 4.39Å; T416-Y581 HydrophobicContact CG2-CD1 4.2Å; T416-Y581 HydrophobicContact CG2-CE1 4Å; L420-Y581 HydrophobicContact CD1-CD1 4.31Å; L420-Y581 HydrophobicContact CD1-CD2 4.04Å; L420-Y581 HydrophobicContact CD1-CE2 4.37Å; L420-Y581 HydrophobicContact CD1-CG 4Å; L420-Y581 HydrophobicContact CD2-CD2 4.13Å; L420-Y581 HydrophobicContact CD2-CE2 3.75Å; V579-Y581 PolarHBondContact O-N 3.11Å; Y581-L608 HydrophobicContact CD2-CD2 4.26Å
582D86.3Confident87.4Confident5 Ų525.7 Ų25.73%0.02713%0.126CC..SBendtrans-130138.1169.8-50.5-64.3000109.5K380 S412 E615K380-D582 IonicContact NZ-OD1 3.15Å; K380-D582 PolarHBondContact NZ-OD1 2.9Å; S412-D582 WeakPolarHBondContact CB-OD2 3.4Å; S412-D582 PolarHBondContact N-OD2 3.35Å; S412-D582 PolarHBondContact OG-OD2 2.93Å; S412-D582 VanDerWaalsContact OG-OD2 3.13Å; D582-E615 WeakPolarHBondContact CA-OE1 3.31Å
583A80Confident87.7Confident13 Ų1320.3 Ų20.311%0.10710%0.101CC..  trans-94.1128.1-170.800000113.8F607 E615 Y619A583-F607 HydrophobicContact CB-CD1 4.17Å; A583-F607 HydrophobicContact CB-CE1 4.42Å; A583-E615 PolarHBondContact N-OE1 3.27Å; A583-Y619 HydrophobicContact CB-CD2 3.91Å; A583-Y619 HydrophobicContact CB-CE2 3.92Å
584E82.9Confident88Confident46 Ų4620.2 Ų20.222%0.21510%0.099CC..  trans-136.5136.5169.6-162.3167.8-114.700113.8K260 L557 T586 F587 V588K260-E584 IonicContact NZ-OE1 3.29Å; K260-E584 PolarHBondContact NZ-OE1 3.05Å; L557-E584 HydrophobicContact CD2-CB 3.8Å; E584-T586 VanDerWaalsContact C-N 3.3Å; E584-T586 PolarHBondContact O-N 3.15Å; E584-T586 PolarHBondContact OE2-OG1 3.41Å; E584-F587 PolarHBondContact O-N 2.99Å; E584-V588 WeakPolarHBondContact O-CG2 3.37Å; E584-V588 PolarHBondContact O-N 2.76Å
585L84.9Confident88.1Confident21 Ų2118.4 Ų18.411%0.119%0.089CC..Hα-helixtrans-61.9-30.4-169.9-61.3173.1000115R589 Y619 A622 L623L585-R589 WeakPolarHBondContact O-CD 3.4Å; L585-R589 WeakPolarHBondContact O-CG 3.34Å; L585-R589 PolarHBondContact O-N 2.77Å; L585-Y619 HydrophobicContact CD2-CD2 3.87Å; L585-Y619 HydrophobicContact CD2-CE1 4.09Å; L585-Y619 HydrophobicContact CD2-CE2 3.3Å; L585-Y619 HydrophobicContact CD2-CG 4.46Å; L585-Y619 VanDerWaalsContact CD2-CZ 3.43Å; L585-Y619 HydrophobicContact CG-CD2 4.2Å; L585-Y619 HydrophobicContact CG-CE2 3.93Å; L585-A622 HydrophobicContact CD1-CB 3.71Å; L585-L623 HydrophobicContact CD1-CD2 4.29Å; L585-L623 HydrophobicContact CD1-CG 4.01Å; L585-L623 HydrophobicContact CD2-CD1 3.88Å; L585-L623 HydrophobicContact CD2-CD2 3.66Å; L585-L623 HydrophobicContact CD2-CG 3.5Å; L585-L623 HydrophobicContact CG-CG 4.42Å
586T87.4Confident88Confident44 Ų4418.5 Ų18.527%0.279%0.09SC..Hα-helixtrans-60.8-53.1175.936.60000110.9R37 E584 R589 Q590R37-T586 HydrophobicContact CB-CG2 4.28Å; E584-T586 VanDerWaalsContact C-N 3.3Å; E584-T586 PolarHBondContact O-N 3.15Å; E584-T586 PolarHBondContact OE2-OG1 3.41Å; T586-R589 PolarHBondContact O-N 2.72Å; T586-Q590 WeakPolarHBondContact O-CG 3.4Å; T586-Q590 PolarHBondContact O-N 3.14Å; T586-Q590 VanDerWaalsContact O-N 3.07Å
587F89.1Confident87.8Confident2 Ų217.1 Ų17.11%0.0099%0.088CC..Hα-helixtrans-75.6-36.3-175-174.3-126.3000112.8C410 L557 L566 L570 V578 L580 E584 R589 Q590 L591C410-F587 HydrophobicContact CB-CD1 4.49Å; C410-F587 HydrophobicContact CB-CE1 3.96Å; C410-F587 WeakPolarHBondContact SG-CE1 3.22Å; L557-F587 HydrophobicContact CD1-CB 3.63Å; L557-F587 HydrophobicContact CD1-CD1 4.09Å; L557-F587 HydrophobicContact CD1-CG 3.93Å; L566-F587 HydrophobicContact CD1-CE2 3.88Å; L566-F587 HydrophobicContact CD1-CZ 3.9Å; L566-F587 HydrophobicContact CD2-CB 4.47Å; L566-F587 HydrophobicContact CD2-CD1 4.18Å; L566-F587 HydrophobicContact CD2-CD2 3.41Å; L566-F587 VanDerWaalsContact CD2-CD2 3.41Å; L566-F587 HydrophobicContact CD2-CE1 4.25Å; L566-F587 HydrophobicContact CD2-CE2 3.5Å; L566-F587 HydrophobicContact CD2-CG 3.78Å; L566-F587 HydrophobicContact CD2-CZ 3.94Å; L566-F587 HydrophobicContact CG-CD2 3.87Å; L566-F587 HydrophobicContact CG-CE2 3.51Å; L566-F587 HydrophobicContact CG-CZ 4.03Å; L570-F587 HydrophobicContact CD1-CE2 4.01Å; V578-F587 HydrophobicContact CG1-CE1 4.24Å; L580-F587 HydrophobicContact CD2-CD1 3.58Å; L580-F587 HydrophobicContact CD2-CE1 3.46Å; L580-F587 VanDerWaalsContact CD2-CE1 3.46Å; E584-F587 PolarHBondContact O-N 2.99Å; F587-R589 VanDerWaalsContact C-N 3.26Å; F587-R589 PolarHBondContact O-N 3.01Å; F587-Q590 HydrophobicContact CD2-CB 4.34Å; F587-Q590 PolarHBondContact O-N 3.21Å; F587-Q590 VanDerWaalsContact O-N 3.12Å; F587-L591 HydrophobicContact CD1-CD1 4.1Å; F587-L591 HydrophobicContact CE1-CD1 3.88Å; F587-L591 HydrophobicContact CE1-CD2 4.49Å; F587-L591 HydrophobicContact CE1-CG 4.31Å; F587-L591 HydrophobicContact CE2-CD2 4.33Å; F587-L591 HydrophobicContact CE2-CG 4.29Å; F587-L591 HydrophobicContact CZ-CD1 4.2Å; F587-L591 HydrophobicContact CZ-CD2 4.01Å; F587-L591 HydrophobicContact CZ-CG 4.15Å; F587-L591 WeakPolarHBondContact O-CG 2.9Å; F587-L591 PolarHBondContact O-N 3.31Å
588V89.9Confident87.4Confident26 Ų2619 Ų1916%0.15810%0.096CC..Hα-helixtrans-54.9-43.6173.2173.20000111.3L580 E584 L591 E592 F607L580-V588 HydrophobicContact CD1-CG2 3.92Å; E584-V588 WeakPolarHBondContact O-CG2 3.37Å; E584-V588 PolarHBondContact O-N 2.76Å; V588-L591 WeakPolarHBondContact O-CB 3.31Å; V588-L591 PolarHBondContact O-N 3.06Å; V588-E592 PolarHBondContact O-N 3.38Å; V588-F607 HydrophobicContact CB-CZ 4.38Å; V588-F607 HydrophobicContact CG1-CZ 3.9Å; V588-F607 HydrophobicContact CG2-CE1 3.58Å; V588-F607 HydrophobicContact CG2-CZ 3.55Å
589R89.5Confident86.7Confident20 Ų2023.1 Ų23.18%0.07512%0.122CC..Hα-helixtrans-73.6-36176.8-68.8167.3-174.8168.47.3112.5R37 L585 T586 F587 L591 E592 I593 E626R37-R589 WeakPolarHBondContact O-CD 3.48Å; R37-R589 PolarHBondContact O-NH1 2.71Å; L585-R589 WeakPolarHBondContact O-CD 3.4Å; L585-R589 WeakPolarHBondContact O-CG 3.34Å; L585-R589 PolarHBondContact O-N 2.77Å; T586-R589 PolarHBondContact O-N 2.72Å; F587-R589 VanDerWaalsContact C-N 3.26Å; F587-R589 PolarHBondContact O-N 3.01Å; R589-L591 PolarHBondContact O-N 3.11Å; R589-E592 WeakPolarHBondContact O-CB 3.41Å; R589-E592 PolarHBondContact O-N 2.62Å; R589-E592 VanDerWaalsContact O-N 3.08Å; R589-I593 WeakPolarHBondContact O-CG1 3.34Å; R589-I593 PolarHBondContact O-N 3.05Å; R589-E626 IonicContact CZ-OE1 3.4Å; R589-E626 IonicContact CZ-OE2 3.94Å; R589-E626 VanDerWaalsContact CZ-OE2 3.22Å; R589-E626 IonicContact NH1-OE1 3.08Å; R589-E626 PolarHBondContact NH1-OE1 3.42Å; R589-E626 IonicContact NH1-OE2 2.93Å; R589-E626 PolarHBondContact NH1-OE2 3.24Å; R589-E626 IonicContact NH2-OE1 2.65Å; R589-E626 IonicContact NH2-OE2 2.74Å; R589-E626 PolarHBondContact NH2-OE2 3.46Å
590Q88.8Confident85.7Confident48 Ų4827 Ų2722%0.22416%0.163CC..Hα-helixtrans-59.1-34.1171.2-74.1172.7-21.400112.1T586 F587 I593 Y594T586-Q590 WeakPolarHBondContact O-CG 3.4Å; T586-Q590 PolarHBondContact O-N 3.14Å; T586-Q590 VanDerWaalsContact O-N 3.07Å; F587-Q590 HydrophobicContact CD2-CB 4.34Å; F587-Q590 PolarHBondContact O-N 3.21Å; F587-Q590 VanDerWaalsContact O-N 3.12Å; Q590-I593 PolarHBondContact O-N 3.5Å; Q590-Y594 VanDerWaalsContact O-CB 3.31Å; Q590-Y594 WeakPolarHBondContact O-CB 3.49Å; Q590-Y594 PolarHBondContact O-N 3.22Å
591L89.2Confident85Confident2 Ų231.6 Ų31.61%0.0118%0.182CC..Hα-helixtrans-68.4-37.6172.5-67.3165.3000112.6L570 V578 L580 F587 V588 R589 Y594 R595 L603 V605L570-L591 HydrophobicContact CD1-CD2 4.14Å; V578-L591 HydrophobicContact CG1-CD1 4.13Å; V578-L591 HydrophobicContact CG1-CD2 4.32Å; V578-L591 HydrophobicContact CG2-CD2 4.08Å; L580-L591 HydrophobicContact CD1-CD1 4.36Å; L580-L591 HydrophobicContact CD2-CD1 4.26Å; F587-L591 HydrophobicContact CD1-CD1 4.1Å; F587-L591 HydrophobicContact CE1-CD1 3.88Å; F587-L591 HydrophobicContact CE1-CD2 4.49Å; F587-L591 HydrophobicContact CE1-CG 4.31Å; F587-L591 HydrophobicContact CE2-CD2 4.33Å; F587-L591 HydrophobicContact CE2-CG 4.29Å; F587-L591 HydrophobicContact CZ-CD1 4.2Å; F587-L591 HydrophobicContact CZ-CD2 4.01Å; F587-L591 HydrophobicContact CZ-CG 4.15Å; F587-L591 WeakPolarHBondContact O-CG 2.9Å; F587-L591 PolarHBondContact O-N 3.31Å; V588-L591 WeakPolarHBondContact O-CB 3.31Å; V588-L591 PolarHBondContact O-N 3.06Å; R589-L591 PolarHBondContact O-N 3.11Å; L591-Y594 PolarHBondContact O-N 3.44Å; L591-R595 PolarHBondContact O-N 2.88Å; L591-R595 VanDerWaalsContact O-N 3.07Å; L591-L603 HydrophobicContact CB-CD2 4.48Å; L591-L603 HydrophobicContact CD2-CD2 4.27Å; L591-V605 HydrophobicContact CD1-CG1 4.04Å; L591-V605 HydrophobicContact CD1-CG2 4.22Å
592E89Confident84.5Confident31 Ų3135.1 Ų35.115%0.14521%0.205CC..Hα-helixtrans-60.1-49.9170-59.6-173120.100111.2R195 P209 V588 R589 Y594 R595 A596R195-E592 IonicContact CZ-OE1 3.65Å; R195-E592 IonicContact CZ-OE2 3.12Å; R195-E592 IonicContact NE-OE1 2.75Å; R195-E592 PolarHBondContact NE-OE1 3.49Å; R195-E592 IonicContact NE-OE2 2.91Å; R195-E592 PolarHBondContact NE-OE2 3.41Å; R195-E592 IonicContact NH2-OE1 3.74Å; R195-E592 PolarHBondContact NH2-OE1 3.21Å; R195-E592 IonicContact NH2-OE2 2.69Å; P209-E592 HydrophobicContact CG-CG 4.32Å; V588-E592 PolarHBondContact O-N 3.38Å; R589-E592 WeakPolarHBondContact O-CB 3.41Å; R589-E592 PolarHBondContact O-N 2.62Å; R589-E592 VanDerWaalsContact O-N 3.08Å; E592-Y594 VanDerWaalsContact C-N 3.32Å; E592-Y594 PolarHBondContact O-N 2.67Å; E592-R595 PolarHBondContact O-N 2.7Å; E592-A596 VanDerWaalsContact O-CB 3.31Å; E592-A596 WeakPolarHBondContact O-CB 3.34Å; E592-A596 PolarHBondContact O-N 3.21Å
593I88.8Confident84.6Confident12 Ų1235 Ų356%0.06221%0.205CC..Hα-helixtrans-61.3-40.6178.5-61.8-43.1000111.1L16 Y18 L39 L204 R589 Q590 A596 S597L16-I593 HydrophobicContact CD1-CD1 4.23Å; L16-I593 HydrophobicContact CD1-CG2 4.13Å; Y18-I593 HydrophobicContact CE1-CD1 4.41Å; Y18-I593 WeakPolarHBondContact OH-CD1 3.11Å; L39-I593 HydrophobicContact CD1-CD1 4.31Å; L204-I593 HydrophobicContact CD2-CD1 4.01Å; R589-I593 WeakPolarHBondContact O-CG1 3.34Å; R589-I593 PolarHBondContact O-N 3.05Å; Q590-I593 PolarHBondContact O-N 3.5Å; I593-A596 PolarHBondContact O-N 3.09Å; I593-S597 WeakPolarHBondContact O-CB 3.41Å; I593-S597 PolarHBondContact O-N 3.19Å
594Y88Confident85Confident13 Ų1337 Ų375%0.05121%0.209CC..Hα-helixtrans-62.2-50.4177.7175.2-103.1000112.2L570 H571 E574 Q590 L591 E592 A596 S597 R598 L603L570-Y594 HydrophobicContact CD1-CG 4.38Å; L570-Y594 HydrophobicContact CD2-CD1 3.58Å; L570-Y594 HydrophobicContact CD2-CD2 3.37Å; L570-Y594 HydrophobicContact CD2-CE1 3.66Å; L570-Y594 HydrophobicContact CD2-CE2 3.43Å; L570-Y594 VanDerWaalsContact CD2-CE2 3.43Å; L570-Y594 HydrophobicContact CD2-CG 3.43Å; L570-Y594 VanDerWaalsContact CD2-CG 3.43Å; H571-Y594 AromaticContact ND1-CE2 3.95Å; E574-Y594 WeakPolarHBondContact CA-OH 3.45Å; Q590-Y594 VanDerWaalsContact O-CB 3.31Å; Q590-Y594 WeakPolarHBondContact O-CB 3.49Å; Q590-Y594 PolarHBondContact O-N 3.22Å; L591-Y594 PolarHBondContact O-N 3.44Å; E592-Y594 VanDerWaalsContact C-N 3.32Å; E592-Y594 PolarHBondContact O-N 2.67Å; Y594-A596 VanDerWaalsContact C-N 3.35Å; Y594-A596 PolarHBondContact O-N 2.87Å; Y594-S597 PolarHBondContact O-N 2.79Å; Y594-S597 VanDerWaalsContact O-N 3.17Å; Y594-S597 PolarHBondContact O-OG 2.83Å; Y594-R598 VanDerWaalsContact CE2-CD 3.49Å; Y594-R598 VanDerWaalsContact CE2-NH1 3.35Å; Y594-R598 PolarHBondContact O-N 3.29Å; Y594-R598 PolarHBondContact OH-NH1 2.7Å; Y594-L603 HydrophobicContact CD1-CD2 4.09Å
595R87.4Confident85.5Confident44 Ų4434.9 Ų34.917%0.16620%0.2CC..Hα-helixtrans-63.7-40.3177.4-172.1174.2167.3139.6-9111.5H207 K208 P209 E210 L591 E592 S597 R598 L603H207-R595 WeakPolarHBondContact O-CD 3.4Å; H207-R595 WeakPolarHBondContact O-CG 3.18Å; H207-R595 PolarHBondContact O-NE 2.75Å; K208-R595 PolarHBondContact O-NE 3.37Å; K208-R595 PolarHBondContact O-NH2 3.1Å; P209-R595 VanDerWaalsContact CA-CD 3.43Å; E210-R595 IonicContact OE1-CZ 3.98Å; E210-R595 IonicContact OE1-NH1 3.05Å; E210-R595 PolarHBondContact OE1-NH1 3.36Å; E210-R595 IonicContact OE1-NH2 3.72Å; E210-R595 PolarHBondContact OE1-NH2 3.41Å; L591-R595 PolarHBondContact O-N 2.88Å; L591-R595 VanDerWaalsContact O-N 3.07Å; E592-R595 PolarHBondContact O-N 2.7Å; R595-S597 VanDerWaalsContact C-N 3.29Å; R595-S597 PolarHBondContact O-N 2.98Å; R595-R598 CarbonylContact O-C 3.56Å; R595-R598 PolarHBondContact O-N 3.49Å; R595-R598 VanDerWaalsContact O-N 3.16Å; R595-L603 HydrophobicContact CB-CD2 4.19Å; R595-L603 PolarHBondContact NH1-O 3.21Å
596A85.1Confident85.9Confident5 Ų533.9 Ų33.94%0.04120%0.195CC..Hα-helixtrans-64.5-30.4175.200000113.3L16 F203 L204 H207 E592 I593 Y594 R598L16-A596 HydrophobicContact CD1-CB 4.36Å; F203-A596 HydrophobicContact CE1-CB 4.04Å; L204-A596 HydrophobicContact CD2-CB 3.81Å; H207-A596 HydrophobicContact CB-CB 4.44Å; E592-A596 VanDerWaalsContact O-CB 3.31Å; E592-A596 WeakPolarHBondContact O-CB 3.34Å; E592-A596 PolarHBondContact O-N 3.21Å; I593-A596 PolarHBondContact O-N 3.09Å; Y594-A596 VanDerWaalsContact C-N 3.35Å; Y594-A596 PolarHBondContact O-N 2.87Å; A596-R598 VanDerWaalsContact C-N 3.3Å
597S83.1Confident86.1Confident23 Ų2332.3 Ų32.316%0.16118%0.184CC..Hα-helixtrans-75.9-14.9175.4790000114.3I593 Y594 R595I593-S597 WeakPolarHBondContact O-CB 3.41Å; I593-S597 PolarHBondContact O-N 3.19Å; Y594-S597 PolarHBondContact O-N 2.79Å; Y594-S597 VanDerWaalsContact O-N 3.17Å; Y594-S597 PolarHBondContact O-OG 2.83Å; R595-S597 VanDerWaalsContact C-N 3.29Å; R595-S597 PolarHBondContact O-N 2.98Å
598R80.6Confident86.2Confident41 Ų4132.3 Ų32.316%0.15518%0.184CC..SBendtrans-137.367.3-174.4-70.2170.3172.1-154.9-12.1112E574 Y594 R595 A596 G600E574-R598 IonicContact OE1-CZ 2.97Å; E574-R598 VanDerWaalsContact OE1-CZ 3.27Å; E574-R598 IonicContact OE1-NH1 2.74Å; E574-R598 PolarHBondContact OE1-NH1 2.93Å; E574-R598 IonicContact OE1-NH2 3.82Å; E574-R598 PolarHBondContact OE1-NH2 2.8Å; Y594-R598 VanDerWaalsContact CE2-CD 3.49Å; Y594-R598 VanDerWaalsContact CE2-NH1 3.35Å; Y594-R598 PolarHBondContact O-N 3.29Å; Y594-R598 PolarHBondContact OH-NH1 2.7Å; R595-R598 CarbonylContact O-C 3.56Å; R595-R598 PolarHBondContact O-N 3.49Å; R595-R598 VanDerWaalsContact O-N 3.16Å; A596-R598 VanDerWaalsContact C-N 3.3Å; R598-G600 PolarHBondContact O-N 2.91Å
599P77.2Confident86.2Confident85 Ų8532 Ų3255%0.55218%0.181SC*.THydrogen-bonded Turntrans-51.6137.8174.7-26.735.8000112.7
600G71.8Confident86.2Confident83 Ų8331.1 Ų31.186%0.85618%0.178SC*.THydrogen-bonded Turntrans93.8-11.7174.900000116.6R598R598-G600 PolarHBondContact O-N 2.91Å
601K77.3Confident86Confident98 Ų9830.3 Ų30.343%0.42618%0.182SC..  trans-89.1121.5167.1-73.1-172.9178.21790110E574E574-K601 IonicContact OE1-NZ 3.19Å; E574-K601 PolarHBondContact OE1-NZ 3.42Å; E574-K601 IonicContact OE2-NZ 2.9Å; E574-K601 PolarHBondContact OE2-NZ 3.02Å
602P79.1Confident85.8Confident76 Ų7633 Ų3349%0.49421%0.211SC..  trans-71131.8175.729.3-33.3000110.2
603L87.4Confident85.8Confident3 Ų331.9 Ų31.92%0.01621%0.206CC..  trans-129.3114176179.475.9000108.9E210 P575 V578 L591 Y594 R595 V605E210-L603 PolarHBondContact N-O 2.94Å; P575-L603 VanDerWaalsContact O-CD1 3.26Å; P575-L603 WeakPolarHBondContact O-CD1 3.36Å; V578-L603 HydrophobicContact CG2-CD1 3.83Å; L591-L603 HydrophobicContact CB-CD2 4.48Å; L591-L603 HydrophobicContact CD2-CD2 4.27Å; Y594-L603 HydrophobicContact CD1-CD2 4.09Å; R595-L603 HydrophobicContact CB-CD2 4.19Å; R595-L603 PolarHBondContact NH1-O 3.21Å; L603-V605 HydrophobicContact CD2-CG2 4.38Å; L603-V605 HydrophobicContact CG-CG2 4.25Å
604R89.5Confident85.6Confident54 Ų5432 Ų3220%0.20421%0.208CC..EExtended strand (participates in β ladder)trans-103.7132.6173.7-84.3167.363.4168.2-5.4110.4E210 E390 E394 R576 Y577 V578 Y606E210-R604 HydrophobicContact CB-CG 3.66Å; E210-R604 HydrophobicContact CG-CG 4.49Å; E210-R604 WeakPolarHBondContact O-CA 3.36Å; E210-R604 WeakPolarHBondContact OE2-CG 3.32Å; E390-R604 IonicContact OE1-NH2 3.61Å; E390-R604 PolarHBondContact OE1-NH2 3.43Å; E394-R604 IonicContact OE1-CZ 3.92Å; E394-R604 IonicContact OE1-NH1 2.74Å; E394-R604 PolarHBondContact OE1-NH1 3.46Å; E394-R604 IonicContact OE1-NH2 3.57Å; E394-R604 PolarHBondContact OE1-NH2 3.09Å; E394-R604 IonicContact OE2-CZ 3.09Å; E394-R604 VanDerWaalsContact OE2-CZ 3.29Å; E394-R604 IonicContact OE2-NH1 2.73Å; E394-R604 PolarHBondContact OE2-NH1 3.48Å; E394-R604 IonicContact OE2-NH2 3.06Å; E394-R604 PolarHBondContact OE2-NH2 3.43Å; R576-R604 PolarHBondContact O-N 3.3Å; R576-R604 VanDerWaalsContact O-N 3.07Å; Y577-R604 WeakPolarHBondContact CA-O 3.49Å; Y577-R604 HydrophobicContact CD1-CB 3.96Å; Y577-R604 HydrophobicContact CE1-CB 4.35Å; V578-R604 PolarHBondContact N-O 3Å; R604-Y606 PolarHBondContact NH2-OH 3Å
605V92.1Very high85.6Confident2 Ų231.6 Ų31.61%0.01221%0.207CC..EExtended strand (participates in β ladder)trans-122115-176.6-171.70000109.5P209 E210 V211 V212 V578 L580 L591 L603 F607P209-V605 HydrophobicContact CB-CG2 4.19Å; E210-V605 PolarHBondContact O-N 2.79Å; V211-V605 WeakPolarHBondContact CA-O 3.11Å; V212-V605 PolarHBondContact N-O 2.77Å; V578-V605 HydrophobicContact CB-CG2 4.48Å; V578-V605 CarbonylContact O-C 3.49Å; V578-V605 WeakPolarHBondContact O-CA 3.2Å; L580-V605 HydrophobicContact CD1-CG1 3.74Å; L580-V605 HydrophobicContact CG-CG1 3.87Å; L591-V605 HydrophobicContact CD1-CG1 4.04Å; L591-V605 HydrophobicContact CD1-CG2 4.22Å; L603-V605 HydrophobicContact CD2-CG2 4.38Å; L603-V605 HydrophobicContact CG-CG2 4.25Å; V605-F607 HydrophobicContact CB-CE2 4.3Å; V605-F607 HydrophobicContact CG1-CD2 3.98Å; V605-F607 HydrophobicContact CG1-CE2 3.6Å; V605-F607 HydrophobicContact CG1-CZ 4.46Å
606Y93.1Very high85.6Confident0 Ų032.1 Ų32.10%021%0.211CC..EExtended strand (participates in β ladder)trans-92.7131.4173.8-62.5-99.6000109.7V212 I214 V387 E390 I391 Y577 V578 V579 L580 R604V212-Y606 HydrophobicContact CB-CD1 3.81Å; V212-Y606 HydrophobicContact CB-CE1 4.17Å; V212-Y606 HydrophobicContact CB-CG 4.42Å; V212-Y606 HydrophobicContact CG1-CD1 3.91Å; V212-Y606 HydrophobicContact CG1-CE1 4.14Å; V212-Y606 HydrophobicContact CG2-CD1 4.35Å; V212-Y606 HydrophobicContact CG2-CE1 4.26Å; V212-Y606 WeakPolarHBondContact O-CA 3.19Å; I214-Y606 HydrophobicContact CD1-CD1 3.88Å; V387-Y606 HydrophobicContact CB-CD1 4.02Å; V387-Y606 HydrophobicContact CB-CE1 4.1Å; V387-Y606 HydrophobicContact CG1-CD1 3.74Å; V387-Y606 HydrophobicContact CG1-CD2 3.97Å; V387-Y606 HydrophobicContact CG1-CE1 3.92Å; V387-Y606 HydrophobicContact CG1-CE2 4.15Å; V387-Y606 HydrophobicContact CG1-CG 3.76Å; V387-Y606 HydrophobicContact CG2-CD1 4.45Å; E390-Y606 WeakPolarHBondContact OE1-CE1 3.4Å; E390-Y606 PolarHBondContact OE1-OH 2.74Å; I391-Y606 HydrophobicContact CD1-CD2 4.25Å; I391-Y606 HydrophobicContact CD1-CE2 3.74Å; I391-Y606 HydrophobicContact CG1-CE2 4.01Å; Y577-Y606 HydrophobicContact CD1-CE2 4.03Å; V578-Y606 PolarHBondContact O-N 2.95Å; V579-Y606 HydrophobicContact CG2-CD2 4.26Å; L580-Y606 WeakPolarHBondContact CB-O 3.22Å; L580-Y606 PolarHBondContact N-O 3.06Å; R604-Y606 PolarHBondContact NH2-OH 3Å
607F92.2Very high85.8Confident10 Ų1035.1 Ų35.14%0.04422%0.224CC..EExtended strand (participates in β ladder)trans-109121.3174.3-77.7-112.1000109.5V211 V212 I214 L580 A583 V588 V605 I609V211-F607 HydrophobicContact CG1-CD2 3.66Å; V211-F607 HydrophobicContact CG1-CE2 3.6Å; V211-F607 HydrophobicContact CG2-CE2 4.24Å; V212-F607 PolarHBondContact O-N 2.82Å; I214-F607 PolarHBondContact N-O 3.21Å; L580-F607 HydrophobicContact CD1-CD1 4.06Å; L580-F607 HydrophobicContact CD1-CD2 4.22Å; L580-F607 HydrophobicContact CD1-CE1 3.73Å; L580-F607 HydrophobicContact CD1-CE2 3.9Å; L580-F607 HydrophobicContact CD1-CG 4.31Å; L580-F607 HydrophobicContact CD1-CZ 3.66Å; A583-F607 HydrophobicContact CB-CD1 4.17Å; A583-F607 HydrophobicContact CB-CE1 4.42Å; V588-F607 HydrophobicContact CB-CZ 4.38Å; V588-F607 HydrophobicContact CG1-CZ 3.9Å; V588-F607 HydrophobicContact CG2-CE1 3.58Å; V588-F607 HydrophobicContact CG2-CZ 3.55Å; V605-F607 HydrophobicContact CB-CE2 4.3Å; V605-F607 HydrophobicContact CG1-CD2 3.98Å; V605-F607 HydrophobicContact CG1-CE2 3.6Å; V605-F607 HydrophobicContact CG1-CZ 4.46Å; F607-I609 HydrophobicContact CB-CD1 4.33Å; F607-I609 HydrophobicContact CB-CG1 4.31Å; F607-I609 HydrophobicContact CD1-CD1 4.37Å
608L91Very high86Confident2 Ų236.5 Ų36.51%0.0123%0.226CC..EExtended strand (participates in β ladder)trans-99.394.8173.3-79.766.2000109.2I214 K380 A383 L384 V387 V579 L580 Y581I214-L608 HydrophobicContact CD1-CD1 4.47Å; K380-L608 WeakPolarHBondContact CE-O 3.35Å; K380-L608 HydrophobicContact CG-CB 4.48Å; A383-L608 HydrophobicContact CB-CD2 4.41Å; L384-L608 HydrophobicContact CB-CD2 4.05Å; V387-L608 HydrophobicContact CG2-CD1 4.46Å; V579-L608 HydrophobicContact CG1-CD1 3.79Å; L580-L608 PolarHBondContact O-N 2.86Å; L580-L608 VanDerWaalsContact O-N 3.09Å; Y581-L608 HydrophobicContact CD2-CD2 4.26Å
609I89.4Confident86.4Confident20 Ų2036.6 Ų36.610%0.10323%0.226CC..EExtended strand (participates in β ladder)trans-106.8130.3-177.7-62175.5000109.5I214 V216 F607 G611 E616I214-I609 PolarHBondContact O-N 2.65Å; V216-I609 PolarHBondContact N-O 2.64Å; F607-I609 HydrophobicContact CB-CD1 4.33Å; F607-I609 HydrophobicContact CB-CG1 4.31Å; F607-I609 HydrophobicContact CD1-CD1 4.37Å; I609-G611 PolarHBondContact O-N 2.82Å; I609-E616 HydrophobicContact CG2-CB 3.9Å; I609-E616 HydrophobicContact CG2-CG 3.99Å
610Y89.8Confident87Confident1 Ų136.6 Ų36.60%0.00422%0.221CC..EExtended strand (participates in β ladder)trans-74.1112.7167.4-86.7-59.7000110.4V216 M218 M222 N378 P379 K380 S613V216-Y610 HydrophobicContact CB-CD1 3.99Å; V216-Y610 HydrophobicContact CB-CE1 4.06Å; V216-Y610 HydrophobicContact CG1-CD1 4.04Å; V216-Y610 HydrophobicContact CG1-CE1 3.62Å; V216-Y610 WeakPolarHBondContact O-CA 3.48Å; V216-Y610 WeakPolarHBondContact O-CD1 3.36Å; M218-Y610 HydrophobicContact CB-CD1 4.29Å; M218-Y610 HydrophobicContact CG-CD1 3.32Å; M218-Y610 HydrophobicContact CG-CD2 4.42Å; M218-Y610 HydrophobicContact CG-CE1 3.84Å; M218-Y610 HydrophobicContact CG-CG 3.67Å; M218-Y610 HydrophobicContact SD-CG 4.44Å; M222-Y610 HydrophobicContact CE-CD2 4.38Å; M222-Y610 HydrophobicContact CE-CE2 4.12Å; N378-Y610 PolarHBondContact OD1-OH 3.16Å; P379-Y610 HydrophobicContact CB-CE1 4.13Å; P379-Y610 WeakPolarHBondContact CD-OH 3.45Å; P379-Y610 HydrophobicContact CG-CE1 4.49Å; K380-Y610 HydrophobicContact CB-CE2 4.4Å; K380-Y610 HydrophobicContact CD-CD2 4.21Å; K380-Y610 HydrophobicContact CD-CE2 3.75Å; K380-Y610 HydrophobicContact CG-CD2 4.24Å; K380-Y610 HydrophobicContact CG-CE1 4.49Å; K380-Y610 HydrophobicContact CG-CE2 3.6Å; K380-Y610 PolarHBondContact N-OH 3.05Å; Y610-S613 WeakPolarHBondContact CB-OG 3.46Å; Y610-S613 WeakPolarHBondContact O-CB 3.47Å; Y610-S613 PolarHBondContact O-N 2.85Å; Y610-S613 PolarHBondContact O-OG 2.89Å
611G86Confident87.8Confident31 Ų3133.7 Ų33.732%0.3219%0.187SC..EExtended strand (participates in β ladder)trans-67.1133.6179.500000112.4V216 I609 S613 E616V216-G611 PolarHBondContact O-N 3.14Å; I609-G611 PolarHBondContact O-N 2.82Å; G611-S613 VanDerWaalsContact C-N 3.3Å; G611-S613 PolarHBondContact O-N 3.12Å; G611-E616 WeakPolarHBondContact CA-OE2 3.36Å
612G84.6Confident88.3Confident60 Ų6031 Ų3162%0.61918%0.183SC*.THydrogen-bonded Turntrans69.624.4-176.900000113.8E616G612-E616 PolarHBondContact N-OE2 2.9Å
613S88Confident88.9Confident6 Ų630.3 Ų30.34%0.04218%0.175CC..SBendtrans-103.5164.2-173.675.40000114.6Y610 G611 E615 E616 Q617Y610-S613 WeakPolarHBondContact CB-OG 3.46Å; Y610-S613 WeakPolarHBondContact O-CB 3.47Å; Y610-S613 PolarHBondContact O-N 2.85Å; Y610-S613 PolarHBondContact O-OG 2.89Å; G611-S613 VanDerWaalsContact C-N 3.3Å; G611-S613 PolarHBondContact O-N 3.12Å; S613-E615 PolarHBondContact O-N 3.3Å; S613-E615 PolarHBondContact OG-N 2.98Å; S613-E616 PolarHBondContact O-N 2.89Å; S613-E616 PolarHBondContact OG-N 2.83Å; S613-E616 VanDerWaalsContact OG-N 3.14Å; S613-Q617 WeakPolarHBondContact O-CB 3.28Å; S613-Q617 PolarHBondContact O-N 2.77Å
614T85.9Confident89Confident14 Ų1436.6 Ų36.69%0.08620%0.198CC..Hα-helixtrans-63.9-21.6168.145.50000113.5Q226 L230 L295 R618Q226-T614 HydrophobicContact CG-CG2 3.92Å; Q226-T614 PolarHBondContact OE1-OG1 3.29Å; L230-T614 HydrophobicContact CD1-CG2 4.12Å; L230-T614 HydrophobicContact CD2-CG2 4.3Å; L295-T614 HydrophobicContact CD1-CG2 4.17Å; L295-T614 HydrophobicContact CD2-CG2 3.99Å; L295-T614 HydrophobicContact CG-CG2 4.24Å; T614-R618 WeakPolarHBondContact O-CB 3.21Å; T614-R618 PolarHBondContact O-N 2.82Å; T614-R618 VanDerWaalsContact O-N 3.08Å
615E86.5Confident88.9Confident6 Ų637.7 Ų37.73%0.02820%0.204CC..Hα-helixtrans-72.5-49.5172.5173.8172-155.300111.2K380 D582 A583 S613 R618 Y619K380-E615 WeakPolarHBondContact CE-OE2 3.41Å; K380-E615 IonicContact NZ-OE1 2.68Å; K380-E615 PolarHBondContact NZ-OE1 3.47Å; K380-E615 IonicContact NZ-OE2 2.7Å; K380-E615 PolarHBondContact NZ-OE2 3.24Å; D582-E615 WeakPolarHBondContact CA-OE1 3.31Å; A583-E615 PolarHBondContact N-OE1 3.27Å; S613-E615 PolarHBondContact O-N 3.3Å; S613-E615 PolarHBondContact OG-N 2.98Å; E615-R618 WeakPolarHBondContact O-CB 3.4Å; E615-R618 PolarHBondContact O-N 2.89Å; E615-R618 IonicContact OE1-NH2 3.41Å; E615-Y619 PolarHBondContact O-N 2.65Å
616E88.8Confident88.9Confident55 Ų5538 Ų3826%0.25721%0.206SC..Hα-helixtrans-59.3-49.4175.8-172.5-161.1148.400110.5I609 G611 G612 S613 R618 Y619 L620I609-E616 HydrophobicContact CG2-CB 3.9Å; I609-E616 HydrophobicContact CG2-CG 3.99Å; G611-E616 WeakPolarHBondContact CA-OE2 3.36Å; G612-E616 PolarHBondContact N-OE2 2.9Å; S613-E616 PolarHBondContact O-N 2.89Å; S613-E616 PolarHBondContact OG-N 2.83Å; S613-E616 VanDerWaalsContact OG-N 3.14Å; E616-R618 VanDerWaalsContact C-N 3.3Å; E616-R618 PolarHBondContact O-N 3.42Å; E616-Y619 PolarHBondContact O-N 2.88Å; E616-Y619 VanDerWaalsContact O-N 3.1Å; E616-L620 HydrophobicContact CG-CD1 3.9Å; E616-L620 HydrophobicContact CG-CG 4.47Å; E616-L620 WeakPolarHBondContact O-CG 3.35Å; E616-L620 PolarHBondContact O-N 2.97Å
617Q89.1Confident88.8Confident67 Ų6743.3 Ų43.331%0.31323%0.229SC..Hα-helixtrans-58.8-40.5177.6-170.6179.511.700111.8S613 T621S613-Q617 WeakPolarHBondContact O-CB 3.28Å; S613-Q617 PolarHBondContact O-N 2.77Å; Q617-T621 HydrophobicContact CG-CG2 4.24Å; Q617-T621 VanDerWaalsContact O-CB 3.31Å; Q617-T621 WeakPolarHBondContact O-CB 3.24Å; Q617-T621 VanDerWaalsContact O-CG2 3.26Å; Q617-T621 WeakPolarHBondContact O-CG2 3.31Å; Q617-T621 PolarHBondContact O-N 2.91Å; Q617-T621 PolarHBondContact O-OG1 3.19Å
618R87.8Confident88.8Confident53 Ų5345.7 Ų45.720%0.224%0.24CC..Hα-helixtrans-64.5-37.2176.2178.8-173.770.7-170.10.7112.4I258 T614 E615 E616 T621 A622I258-R618 HydrophobicContact CG2-CB 4.35Å; T614-R618 WeakPolarHBondContact O-CB 3.21Å; T614-R618 PolarHBondContact O-N 2.82Å; T614-R618 VanDerWaalsContact O-N 3.08Å; E615-R618 WeakPolarHBondContact O-CB 3.4Å; E615-R618 PolarHBondContact O-N 2.89Å; E615-R618 IonicContact OE1-NH2 3.41Å; E616-R618 VanDerWaalsContact C-N 3.3Å; E616-R618 PolarHBondContact O-N 3.42Å; R618-T621 PolarHBondContact O-OG1 2.86Å; R618-A622 WeakPolarHBondContact O-CB 3.47Å; R618-A622 PolarHBondContact O-N 3.33Å
619Y88.8Confident88.8Confident43 Ų4345.6 Ų45.617%0.16924%0.24CC..Hα-helixtrans-70.5-48.4177-173.9-98.1000111.6A583 L585 E615 E616 A622 L623A583-Y619 HydrophobicContact CB-CD2 3.91Å; A583-Y619 HydrophobicContact CB-CE2 3.92Å; L585-Y619 HydrophobicContact CD2-CD2 3.87Å; L585-Y619 HydrophobicContact CD2-CE1 4.09Å; L585-Y619 HydrophobicContact CD2-CE2 3.3Å; L585-Y619 HydrophobicContact CD2-CG 4.46Å; L585-Y619 VanDerWaalsContact CD2-CZ 3.43Å; L585-Y619 HydrophobicContact CG-CD2 4.2Å; L585-Y619 HydrophobicContact CG-CE2 3.93Å; E615-Y619 PolarHBondContact O-N 2.65Å; E616-Y619 PolarHBondContact O-N 2.88Å; E616-Y619 VanDerWaalsContact O-N 3.1Å; Y619-A622 PolarHBondContact O-N 3.47Å; Y619-L623 HydrophobicContact CD1-CD1 3.99Å; Y619-L623 HydrophobicContact CE1-CD1 3.68Å; Y619-L623 PolarHBondContact O-N 3.36Å; Y619-L623 VanDerWaalsContact O-N 3.1Å
620L90.1Very high89Confident84 Ų8444.8 Ų44.844%0.4424%0.236SC..Hα-helixtrans-67.9-39-179.5-65.5173.1000113E616 L623 R624E616-L620 HydrophobicContact CG-CD1 3.9Å; E616-L620 HydrophobicContact CG-CG 4.47Å; E616-L620 WeakPolarHBondContact O-CG 3.35Å; E616-L620 PolarHBondContact O-N 2.97Å; L620-L623 PolarHBondContact O-N 2.86Å; L620-R624 WeakPolarHBondContact O-CB 3.36Å; L620-R624 PolarHBondContact O-N 3.32Å
621T88.6Confident89.1Confident22 Ų2248.9 Ų48.914%0.13526%0.255CS..Hα-helixtrans-67-38.1175.349.80000112E255 Q617 R618 R624 K625E255-T621 HydrophobicContact CB-CG2 4.39Å; Q617-T621 HydrophobicContact CG-CG2 4.24Å; Q617-T621 VanDerWaalsContact O-CB 3.31Å; Q617-T621 WeakPolarHBondContact O-CB 3.24Å; Q617-T621 VanDerWaalsContact O-CG2 3.26Å; Q617-T621 WeakPolarHBondContact O-CG2 3.31Å; Q617-T621 PolarHBondContact O-N 2.91Å; Q617-T621 PolarHBondContact O-OG1 3.19Å; R618-T621 PolarHBondContact O-OG1 2.86Å; T621-R624 PolarHBondContact O-N 3Å; T621-K625 WeakPolarHBondContact O-CB 3.42Å; T621-K625 PolarHBondContact O-N 3.28Å
622A87.6Confident89.4Confident42 Ų4251 Ų5135%0.34726%0.255SS..Hα-helixtrans-63.9-42.3174.800000112.3L585 R618 Y619 K625 E626L585-A622 HydrophobicContact CD1-CB 3.71Å; R618-A622 WeakPolarHBondContact O-CB 3.47Å; R618-A622 PolarHBondContact O-N 3.33Å; Y619-A622 PolarHBondContact O-N 3.47Å; A622-K625 PolarHBondContact O-N 3.06Å; A622-E626 PolarHBondContact O-N 3.03Å
623L89.9Confident89.7Confident62 Ų6248.3 Ų48.333%0.32523%0.226SC..Hα-helixtrans-60.3-46.9171.6-84.5166.8000112.3L585 Y619 L620 K625 E626 K627L585-L623 HydrophobicContact CD1-CD2 4.29Å; L585-L623 HydrophobicContact CD1-CG 4.01Å; L585-L623 HydrophobicContact CD2-CD1 3.88Å; L585-L623 HydrophobicContact CD2-CD2 3.66Å; L585-L623 HydrophobicContact CD2-CG 3.5Å; L585-L623 HydrophobicContact CG-CG 4.42Å; Y619-L623 HydrophobicContact CD1-CD1 3.99Å; Y619-L623 HydrophobicContact CE1-CD1 3.68Å; Y619-L623 PolarHBondContact O-N 3.36Å; Y619-L623 VanDerWaalsContact O-N 3.1Å; L620-L623 PolarHBondContact O-N 2.86Å; L623-K625 PolarHBondContact O-N 3.46Å; L623-E626 PolarHBondContact O-N 3.33Å; L623-K627 WeakPolarHBondContact O-CB 3.34Å; L623-K627 PolarHBondContact O-N 2.75Å
624R90.6Very high89.9Confident134 Ų13451.6 Ų51.651%0.50624%0.243SC..Hα-helixtrans-57.8-47.7178.5-169.2-169.7-62.7156-1.6110.8E255 L620 T621 K627 E628E255-R624 IonicContact OE1-NH1 2.75Å; E255-R624 PolarHBondContact OE1-NH1 2.99Å; E255-R624 VanDerWaalsContact OE1-NH1 3.09Å; E255-R624 IonicContact OE2-NH1 3.66Å; E255-R624 PolarHBondContact OE2-NH1 3.35Å; L620-R624 WeakPolarHBondContact O-CB 3.36Å; L620-R624 PolarHBondContact O-N 3.32Å; T621-R624 PolarHBondContact O-N 3Å; R624-K627 PolarHBondContact O-N 2.73Å; R624-E628 VanDerWaalsContact O-CB 3.31Å; R624-E628 WeakPolarHBondContact O-CB 3.42Å; R624-E628 PolarHBondContact O-N 2.74Å
625K87.9Confident90.1Very high77 Ų7759.3 Ų59.334%0.33527%0.27SS..Hα-helixtrans-69.5-37.1-179.3-79.5-72.6171.1-1600113.9T621 A622 L623 E628 A629T621-K625 WeakPolarHBondContact O-CB 3.42Å; T621-K625 PolarHBondContact O-N 3.28Å; A622-K625 PolarHBondContact O-N 3.06Å; L623-K625 PolarHBondContact O-N 3.46Å; K625-E628 WeakPolarHBondContact CD-OE2 3.5Å; K625-E628 WeakPolarHBondContact CE-OE2 2.84Å; K625-E628 VanDerWaalsContact NZ-CD 3.33Å; K625-E628 IonicContact NZ-OE1 3.81Å; K625-E628 PolarHBondContact NZ-OE1 2.74Å; K625-E628 VanDerWaalsContact NZ-OE1 3.16Å; K625-E628 IonicContact NZ-OE2 3.37Å; K625-E628 PolarHBondContact NZ-OE2 2.85Å; K625-A629 WeakPolarHBondContact O-CB 3.49Å; K625-A629 PolarHBondContact O-N 3.26Å
626E90.8Very high90.2Very high9 Ų961 Ų614%0.04228%0.278CS..Hα-helixtrans-66.8-40174-169.9179.5-167.200111.6R37 V169 R589 A622 L623 F630R37-E626 PolarHBondContact N-OE1 2.88Å; V169-E626 HydrophobicContact CG2-CB 4.33Å; R589-E626 IonicContact CZ-OE1 3.4Å; R589-E626 IonicContact CZ-OE2 3.94Å; R589-E626 VanDerWaalsContact CZ-OE2 3.22Å; R589-E626 IonicContact NH1-OE1 3.08Å; R589-E626 PolarHBondContact NH1-OE1 3.42Å; R589-E626 IonicContact NH1-OE2 2.93Å; R589-E626 PolarHBondContact NH1-OE2 3.24Å; R589-E626 IonicContact NH2-OE1 2.65Å; R589-E626 IonicContact NH2-OE2 2.74Å; R589-E626 PolarHBondContact NH2-OE2 3.46Å; A622-E626 PolarHBondContact O-N 3.03Å; L623-E626 PolarHBondContact O-N 3.33Å; E626-F630 HydrophobicContact CG-CD2 4.07Å; E626-F630 HydrophobicContact CG-CE2 4.02Å; E626-F630 WeakPolarHBondContact O-CD2 3.36Å; E626-F630 PolarHBondContact O-N 3.19Å; E626-F630 VanDerWaalsContact O-N 3.1Å
627K92.4Very high90.2Very high112 Ų11262.9 Ų62.949%0.48729%0.285SS..Hα-helixtrans-63.6-49.7174.4179.6177170.6178.20111.8F196 L623 R624 A629 F630 E631F196-K627 HydrophobicContact CE1-CG 4.35Å; L623-K627 WeakPolarHBondContact O-CB 3.34Å; L623-K627 PolarHBondContact O-N 2.75Å; R624-K627 PolarHBondContact O-N 2.73Å; K627-A629 VanDerWaalsContact C-N 3.32Å; K627-A629 PolarHBondContact O-N 3.13Å; K627-F630 PolarHBondContact O-N 2.86Å; K627-E631 WeakPolarHBondContact CE-OE1 3.46Å; K627-E631 IonicContact NZ-OE1 3.94Å; K627-E631 WeakPolarHBondContact O-CG 3.39Å; K627-E631 PolarHBondContact O-N 3.44Å
628E92Very high90.2Very high59 Ų5964 Ų6428%0.27631%0.306SS..Hα-helixtrans-55.5-46.3177.9-173.3-165.8147.100111.3R624 K625 E631 K632R624-E628 VanDerWaalsContact O-CB 3.31Å; R624-E628 WeakPolarHBondContact O-CB 3.42Å; R624-E628 PolarHBondContact O-N 2.74Å; K625-E628 WeakPolarHBondContact CD-OE2 3.5Å; K625-E628 WeakPolarHBondContact CE-OE2 2.84Å; K625-E628 VanDerWaalsContact NZ-CD 3.33Å; K625-E628 IonicContact NZ-OE1 3.81Å; K625-E628 PolarHBondContact NZ-OE1 2.74Å; K625-E628 VanDerWaalsContact NZ-OE1 3.16Å; K625-E628 IonicContact NZ-OE2 3.37Å; K625-E628 PolarHBondContact NZ-OE2 2.85Å; E628-E631 PolarHBondContact O-N 3.29Å; E628-K632 WeakPolarHBondContact O-CG 3.3Å; E628-K632 PolarHBondContact O-N 2.95Å; E628-K632 VanDerWaalsContact O-N 3.09Å; E628-K632 VanDerWaalsContact OE1-CE 3.31Å; E628-K632 WeakPolarHBondContact OE1-CE 3.34Å; E628-K632 IonicContact OE1-NZ 3.48Å; E628-K632 PolarHBondContact OE1-NZ 2.86Å
629A90.8Very high90.2Very high0 Ų065.6 Ų65.60%033%0.325CS..Hα-helixtrans-59.3-50.2175.900000111.7V169 D172 K625 K627 E631 K632 L633V169-A629 HydrophobicContact CG2-CB 4.49Å; D172-A629 HydrophobicContact CB-CB 4Å; K625-A629 WeakPolarHBondContact O-CB 3.49Å; K625-A629 PolarHBondContact O-N 3.26Å; K627-A629 VanDerWaalsContact C-N 3.32Å; K627-A629 PolarHBondContact O-N 3.13Å; A629-E631 VanDerWaalsContact C-N 3.34Å; A629-E631 PolarHBondContact O-N 3.45Å; A629-K632 PolarHBondContact O-N 3.36Å; A629-L633 VanDerWaalsContact O-CG 3.24Å; A629-L633 WeakPolarHBondContact O-CG 3.2Å; A629-L633 PolarHBondContact O-N 3.5Å
630F93.6Very high89.7Confident4 Ų464.8 Ų64.82%0.01832%0.324CS..Hα-helixtrans-62.1-37.2178.4-87.3-67.3000113.6V34 A36 A168 P194 F196 E626 K627 K632 L633 I634V34-F630 HydrophobicContact CG1-CE1 4.01Å; V34-F630 HydrophobicContact CG1-CZ 4.2Å; A36-F630 HydrophobicContact CB-CE2 3.87Å; A36-F630 HydrophobicContact CB-CZ 4.15Å; A168-F630 HydrophobicContact CB-CD1 4.4Å; A168-F630 HydrophobicContact CB-CD2 3.93Å; A168-F630 HydrophobicContact CB-CE1 4.02Å; A168-F630 HydrophobicContact CB-CE2 3.5Å; A168-F630 HydrophobicContact CB-CG 4.35Å; A168-F630 HydrophobicContact CB-CZ 3.55Å; P194-F630 HydrophobicContact CB-CB 4.17Å; P194-F630 HydrophobicContact CB-CD1 3.81Å; P194-F630 HydrophobicContact CB-CD2 4.01Å; P194-F630 HydrophobicContact CB-CE1 4.14Å; P194-F630 HydrophobicContact CB-CE2 4.34Å; P194-F630 HydrophobicContact CB-CG 3.74Å; P194-F630 HydrophobicContact CB-CZ 4.4Å; P194-F630 HydrophobicContact CG-CD1 4.37Å; F196-F630 HydrophobicContact CE1-CB 3.97Å; F196-F630 HydrophobicContact CZ-CB 4.02Å; E626-F630 HydrophobicContact CG-CD2 4.07Å; E626-F630 HydrophobicContact CG-CE2 4.02Å; E626-F630 WeakPolarHBondContact O-CD2 3.36Å; E626-F630 PolarHBondContact O-N 3.19Å; E626-F630 VanDerWaalsContact O-N 3.1Å; K627-F630 PolarHBondContact O-N 2.86Å; F630-K632 VanDerWaalsContact C-N 3.34Å; F630-L633 HydrophobicContact CD1-CD1 4.26Å; F630-L633 PolarHBondContact O-N 2.98Å; F630-I634 WeakPolarHBondContact O-CB 3.26Å; F630-I634 WeakPolarHBondContact O-CD1 3.44Å; F630-I634 VanDerWaalsContact O-CG1 3.22Å; F630-I634 WeakPolarHBondContact O-CG1 2.76Å; F630-I634 PolarHBondContact O-N 3.24Å
631E92.6Very high89.1Confident87 Ų8766.9 Ų66.941%0.40734%0.34SS..Hα-helixtrans-66-35.5176.5-72.5178.5173.700112.5F196 K627 E628 A629 R635F196-E631 HydrophobicContact CZ-CG 4.27Å; K627-E631 WeakPolarHBondContact CE-OE1 3.46Å; K627-E631 IonicContact NZ-OE1 3.94Å; K627-E631 WeakPolarHBondContact O-CG 3.39Å; K627-E631 PolarHBondContact O-N 3.44Å; E628-E631 PolarHBondContact O-N 3.29Å; A629-E631 VanDerWaalsContact C-N 3.34Å; A629-E631 PolarHBondContact O-N 3.45Å; E631-R635 PolarHBondContact O-N 2.85Å
632K90.6Very high88.3Confident74 Ų7467.7 Ų67.732%0.32235%0.345SS..Hα-helixtrans-68.5-47.2171-67.6168.9-175.7169.40111.8D172 E628 A629 F630 I634 R635 E636D172-K632 WeakPolarHBondContact OD1-CD 3.42Å; D172-K632 WeakPolarHBondContact OD1-CE 3.41Å; D172-K632 IonicContact OD1-NZ 3.35Å; D172-K632 PolarHBondContact OD1-NZ 3.26Å; D172-K632 IonicContact OD2-NZ 3.16Å; D172-K632 PolarHBondContact OD2-NZ 2.95Å; E628-K632 WeakPolarHBondContact O-CG 3.3Å; E628-K632 PolarHBondContact O-N 2.95Å; E628-K632 VanDerWaalsContact O-N 3.09Å; E628-K632 VanDerWaalsContact OE1-CE 3.31Å; E628-K632 WeakPolarHBondContact OE1-CE 3.34Å; E628-K632 IonicContact OE1-NZ 3.48Å; E628-K632 PolarHBondContact OE1-NZ 2.86Å; A629-K632 PolarHBondContact O-N 3.36Å; F630-K632 VanDerWaalsContact C-N 3.34Å; K632-I634 VanDerWaalsContact C-N 3.3Å; K632-I634 PolarHBondContact O-N 3.06Å; K632-R635 WeakPolarHBondContact O-CA 3.31Å; K632-R635 WeakPolarHBondContact O-CB 3.41Å; K632-R635 PolarHBondContact O-N 3Å; K632-E636 PolarHBondContact O-N 3.33Å
633L91.1Very high87.5Confident4 Ų469.3 Ų69.32%0.02135%0.351CS..Hα-helixtrans-58.4-39.3178.6-68.5173.8000112.4V34 A168 F171 V178 L192 A629 F630 R635 K637V34-L633 HydrophobicContact CG1-CD1 4.42Å; A168-L633 HydrophobicContact CB-CD1 3.98Å; F171-L633 HydrophobicContact CB-CD2 3.83Å; V178-L633 HydrophobicContact CG2-CD2 3.24Å; L192-L633 VanDerWaalsContact CD1-C 3.5Å; L192-L633 HydrophobicContact CD1-CB 3.81Å; L192-L633 WeakPolarHBondContact CD1-O 3.15Å; L192-L633 HydrophobicContact CD2-CB 4.28Å; L192-L633 HydrophobicContact CD2-CD1 4.5Å; A629-L633 VanDerWaalsContact O-CG 3.24Å; A629-L633 WeakPolarHBondContact O-CG 3.2Å; A629-L633 PolarHBondContact O-N 3.5Å; F630-L633 HydrophobicContact CD1-CD1 4.26Å; F630-L633 PolarHBondContact O-N 2.98Å; L633-R635 VanDerWaalsContact C-N 3.32Å; L633-K637 WeakPolarHBondContact O-CB 3.37Å; L633-K637 PolarHBondContact O-N 3.42Å
634I92.3Very high86.2Confident75 Ų7573.6 Ų73.639%0.38537%0.37SS..Hα-helixtrans-65.5-37.1175.7-69.9163.5000111.1L192 P194 F196 F630 K632 A638L192-I634 HydrophobicContact CD1-CB 4.47Å; L192-I634 HydrophobicContact CD1-CG1 3.83Å; P194-I634 HydrophobicContact CG-CD1 4.46Å; F196-I634 HydrophobicContact CE2-CD1 4.08Å; F196-I634 HydrophobicContact CZ-CD1 4.08Å; F630-I634 WeakPolarHBondContact O-CB 3.26Å; F630-I634 WeakPolarHBondContact O-CD1 3.44Å; F630-I634 VanDerWaalsContact O-CG1 3.22Å; F630-I634 WeakPolarHBondContact O-CG1 2.76Å; F630-I634 PolarHBondContact O-N 3.24Å; K632-I634 VanDerWaalsContact C-N 3.3Å; K632-I634 PolarHBondContact O-N 3.06Å; I634-A638 PolarHBondContact O-N 2.74Å
635R91.3Very high84.9Confident177 Ų17771.9 Ų71.967%0.66837%0.367SS*.Hα-helixtrans-69.3-47.1176.2-166.3-176.9-57.2158.56.9111.8E631 K632 L633 K637 A638 S639E631-R635 PolarHBondContact O-N 2.85Å; K632-R635 WeakPolarHBondContact O-CA 3.31Å; K632-R635 WeakPolarHBondContact O-CB 3.41Å; K632-R635 PolarHBondContact O-N 3Å; L633-R635 VanDerWaalsContact C-N 3.32Å; R635-K637 PolarHBondContact O-N 2.7Å; R635-A638 WeakPolarHBondContact O-CB 3.45Å; R635-A638 PolarHBondContact O-N 3.38Å; R635-A638 VanDerWaalsContact O-N 3.08Å; R635-S639 PolarHBondContact O-N 3.38Å; R635-S639 PolarHBondContact O-OG 2.69Å
636E87.6Confident83.9Confident40 Ų4069.9 Ų69.919%0.18736%0.358CS..Hα-helixtrans-58.8-46175.5-171.9178.8-169.900110.7V178 K632 A638 S639 M640V178-E636 WeakPolarHBondContact CG2-OE2 3.48Å; K632-E636 PolarHBondContact O-N 3.33Å; E636-A638 PolarHBondContact O-N 2.73Å; E636-S639 PolarHBondContact O-N 3.13Å; E636-S639 VanDerWaalsContact O-N 3.08Å; E636-S639 PolarHBondContact O-OG 3.11Å; E636-M640 VanDerWaalsContact O-CB 3.27Å; E636-M640 WeakPolarHBondContact O-CB 3.37Å; E636-M640 PolarHBondContact O-N 3.4Å
637K89.8Confident82.6Confident95 Ų9569.7 Ų69.741%0.41336%0.357SS..Hα-helixtrans-57.2-30.3173.8177.5177.2162.8640113.7L190 L192 L633 R635L190-K637 HydrophobicContact CD2-CB 4.13Å; L190-K637 HydrophobicContact CD2-CD 4.5Å; L190-K637 HydrophobicContact CD2-CG 4.4Å; L190-K637 WeakPolarHBondContact O-CE 3.36Å; L190-K637 PolarHBondContact O-NZ 3.32Å; L192-K637 HydrophobicContact CD1-CB 4.08Å; L192-K637 HydrophobicContact CD1-CD 3.73Å; L192-K637 HydrophobicContact CG-CD 3.96Å; L633-K637 WeakPolarHBondContact O-CB 3.37Å; L633-K637 PolarHBondContact O-N 3.42Å; R635-K637 PolarHBondContact O-N 2.7Å
638A89.2Confident81.2Confident91 Ų9164.4 Ų64.475%0.75233%0.334SS*.Hα-helixtrans-82.6-22.5178.700000113.3I634 R635 E636I634-A638 PolarHBondContact O-N 2.74Å; R635-A638 WeakPolarHBondContact O-CB 3.45Å; R635-A638 PolarHBondContact O-N 3.38Å; R635-A638 VanDerWaalsContact O-N 3.08Å; E636-A638 PolarHBondContact O-N 2.73Å
639S86.5Confident80Confident86 Ų8665.7 Ų65.760%0.60134%0.336SS*.Hα-helixtrans-97.3-23.2175.4510000114.5R635 E636 V641R635-S639 PolarHBondContact O-N 3.38Å; R635-S639 PolarHBondContact O-OG 2.69Å; E636-S639 PolarHBondContact O-N 3.13Å; E636-S639 VanDerWaalsContact O-N 3.08Å; E636-S639 PolarHBondContact O-OG 3.11Å; S639-V641 PolarHBondContact O-N 3.08Å
640M79.7Confident78.6Confident27 Ų2769.8 Ų69.813%0.13336%0.358CS..  trans-65.6112.5-175175.1-178.560.800111.7E179 M182 L190 E636 V642E179-M640 HydrophobicContact CG-CG 4.17Å; E179-M640 HydrophobicContact CG-SD 3.97Å; E179-M640 WeakPolarHBondContact OE1-CG 3.41Å; M182-M640 HydrophobicContact CE-CE 3.95Å; M182-M640 HydrophobicContact CE-SD 4.28Å; M182-M640 HydrophobicContact SD-CE 3.84Å; M182-M640 HydrophobicContact SD-SD 3.83Å; L190-M640 HydrophobicContact CB-CE 4.26Å; L190-M640 HydrophobicContact CD2-CE 4.32Å; E636-M640 VanDerWaalsContact O-CB 3.27Å; E636-M640 WeakPolarHBondContact O-CB 3.37Å; E636-M640 PolarHBondContact O-N 3.4Å; M640-V642 HydrophobicContact CE-CG2 3.76Å; M640-V642 HydrophobicContact CG-CG2 3.7Å; M640-V642 HydrophobicContact SD-CG2 3.75Å
641V76.1Confident76.8Confident128 Ų12876.8 Ų76.878%0.77639%0.391SS*.  trans-89.3120167.1-1790000108.5S639S639-V641 PolarHBondContact O-N 3.08Å
642V72.1Confident75Confident39 Ų3976.4 Ų76.424%0.23640%0.395CS..  trans-104113.4-179.5-178.10000109.3R188 M640R188-V642 HydrophobicContact CB-CG1 4.24Å; R188-V642 HydrophobicContact CG-CG1 4.34Å; M640-V642 HydrophobicContact CE-CG2 3.76Å; M640-V642 HydrophobicContact CG-CG2 3.7Å; M640-V642 HydrophobicContact SD-CG2 3.75Å
643P71.1Confident73.6Confident76 Ų7673.6 Ų73.649%0.49438%0.383SS..  trans-61.4141.9172.5-22.734.1000111.3E645 R646P643-E645 VanDerWaalsContact C-N 3.3Å; P643-E645 PolarHBondContact O-N 2.98Å; P643-R646 VanDerWaalsContact O-CB 3.32Å; P643-R646 WeakPolarHBondContact O-CB 3.48Å; P643-R646 PolarHBondContact O-N 3.07Å
644E62.3Low72.1Confident152 Ų15280.7 Ų80.771%0.7142%0.42SS*.G310 helixtrans-64.3-35.6-177.5-63.7-167.7142.700112.2R188 R646R188-E644 PolarHBondContact NE-O 3.06Å; R188-E644 PolarHBondContact NH2-O 3.23Å; E644-R646 PolarHBondContact O-N 3.24Å; E644-R646 VanDerWaalsContact O-N 3.13Å
645E62.7Low70.5Confident97 Ų9779.7 Ų79.745%0.45342%0.416SS..G310 helixtrans-55.6-36.1-176.9-55.2-175.4120.500112.6P643 E647 G648 T652 N653P643-E645 VanDerWaalsContact C-N 3.3Å; P643-E645 PolarHBondContact O-N 2.98Å; E645-E647 PolarHBondContact O-N 3.35Å; E645-G648 PolarHBondContact O-N 2.99Å; E645-T652 WeakPolarHBondContact OE1-CB 3.11Å; E645-T652 PolarHBondContact OE1-OG1 2.75Å; E645-N653 VanDerWaalsContact C-OD1 3.29Å; E645-N653 VanDerWaalsContact O-CG 3.24Å; E645-N653 PolarHBondContact O-ND2 2.93Å; E645-N653 PolarHBondContact O-OD1 3.17Å
646R68.4Low69.2Low35 Ų3572 Ų7213%0.13239%0.388CS..G310 helixtrans-47.4-18.2-173.5-164.8-170.7-161.7143.51.1116.3E179 F186 P643 E644 G648E179-R646 PolarHBondContact O-NH2 3.14Å; F186-R646 WeakPolarHBondContact CA-O 3.48Å; P643-R646 VanDerWaalsContact O-CB 3.32Å; P643-R646 WeakPolarHBondContact O-CB 3.48Å; P643-R646 PolarHBondContact O-N 3.07Å; E644-R646 PolarHBondContact O-N 3.24Å; E644-R646 VanDerWaalsContact O-N 3.13Å; R646-G648 PolarHBondContact O-N 3.46Å
647E63.4Low68.1Low6 Ų673.6 Ų73.63%0.02840%0.4CS..G310 helixtrans-68.2-15.6174-139.1166.5-103.800112.8R153 R188 E645 R649R153-E647 PolarHBondContact NE-O 3.45Å; R153-E647 PolarHBondContact NH2-O 3.11Å; R188-E647 WeakPolarHBondContact CD-OE1 3.49Å; R188-E647 HydrophobicContact CG-CB 4.2Å; R188-E647 HydrophobicContact CG-CG 4.2Å; R188-E647 WeakPolarHBondContact CG-OE1 3.33Å; R188-E647 IonicContact CZ-OE1 2.81Å; R188-E647 VanDerWaalsContact CZ-OE1 3.25Å; R188-E647 IonicContact CZ-OE2 3.51Å; R188-E647 IonicContact NE-OE1 3.83Å; R188-E647 PolarHBondContact NE-OE1 2.92Å; R188-E647 IonicContact NH1-OE1 3.34Å; R188-E647 PolarHBondContact NH1-OE1 3.34Å; R188-E647 IonicContact NH1-OE2 3.47Å; R188-E647 PolarHBondContact NH1-OE2 2.65Å; R188-E647 IonicContact NH2-OE2 3.63Å; E645-E647 PolarHBondContact O-N 3.35Å; E647-R649 HydrophobicContact CB-CG 4.29Å; E647-R649 HydrophobicContact CG-CG 4.29Å; E647-R649 PolarHBondContact O-N 3.47Å; E647-R649 VanDerWaalsContact OE2-CD 3.26Å; E647-R649 WeakPolarHBondContact OE2-CD 3.47Å; E647-R649 IonicContact OE2-CZ 3.7Å; E647-R649 IonicContact OE2-NE 3.25Å; E647-R649 PolarHBondContact OE2-NE 3.32Å; E647-R649 IonicContact OE2-NH1 3.04Å; E647-R649 PolarHBondContact OE2-NH1 2.95Å
648G62.3Low66.8Low0 Ų074 Ų740%040%0.399CS..SBendtrans73.51.6176.100000115.2R153 K157 E645 R646 D650 N653 L656R153-G648 WeakPolarHBondContact CD-O 3.5Å; R153-G648 WeakPolarHBondContact CG-O 3.44Å; K157-G648 PolarHBondContact NZ-O 2.92Å; K157-G648 VanDerWaalsContact NZ-O 3.17Å; E645-G648 PolarHBondContact O-N 2.99Å; R646-G648 PolarHBondContact O-N 3.46Å; G648-D650 VanDerWaalsContact C-N 3.34Å; G648-N653 WeakPolarHBondContact CA-ND2 3.48Å; G648-L656 WeakPolarHBondContact O-CD1 3.4Å
649R67.6Low65.1Low87 Ų8770.9 Ų70.933%0.32838%0.376SS..  trans-72-29.9-178.1-60.9-172.4177.6161.6-9.8111.9D30 K157 E647D30-R649 IonicContact OD2-NH2 2.71Å; D30-R649 PolarHBondContact OD2-NH2 2.74Å; K157-R649 WeakPolarHBondContact CD-O 3.25Å; K157-R649 WeakPolarHBondContact O-CG 3.41Å; E647-R649 HydrophobicContact CB-CG 4.29Å; E647-R649 HydrophobicContact CG-CG 4.29Å; E647-R649 PolarHBondContact O-N 3.47Å; E647-R649 VanDerWaalsContact OE2-CD 3.26Å; E647-R649 WeakPolarHBondContact OE2-CD 3.47Å; E647-R649 IonicContact OE2-CZ 3.7Å; E647-R649 IonicContact OE2-NE 3.25Å; E647-R649 PolarHBondContact OE2-NE 3.32Å; E647-R649 IonicContact OE2-NH1 3.04Å; E647-R649 PolarHBondContact OE2-NH1 2.95Å
650D59.7Low63.1Low86 Ų8672 Ų7246%0.4638%0.379SS..SBendtrans-98.5148.7177.3-51-69.3000112.1G648 T652 N653G648-D650 VanDerWaalsContact C-N 3.34Å; D650-T652 PolarHBondContact O-N 3.38Å; D650-N653 PolarHBondContact O-ND2 3.16Å
651E57.5Low61.3Low150 Ų15074.9 Ų74.970%0.70141%0.407SS*.THydrogen-bonded Turntrans-72-8.5-175.1-70.7-62.89400114.9K157 N653K157-E651 WeakPolarHBondContact CE-OE1 3.43Å; K157-E651 IonicContact NZ-OE1 2.66Å; K157-E651 PolarHBondContact NZ-OE1 2.55Å; E651-N653 PolarHBondContact O-N 2.7Å
652T54.9Low59.3Low80 Ų8073.2 Ų73.249%0.49140%0.401SS..THydrogen-bonded Turntrans-72.6-6.3179.458.80000113.9E645 D650 L654E645-T652 WeakPolarHBondContact OE1-CB 3.11Å; E645-T652 PolarHBondContact OE1-OG1 2.75Å; D650-T652 PolarHBondContact O-N 3.38Å; T652-L654 PolarHBondContact O-N 2.95Å
653N60Low57.5Low14 Ų1477.9 Ų77.98%0.07543%0.43CS..  trans-69.999.2-176.9-82.1-89.4000113.2E645 G648 D650 E651 D655 L656 V657E645-N653 VanDerWaalsContact C-OD1 3.29Å; E645-N653 VanDerWaalsContact O-CG 3.24Å; E645-N653 PolarHBondContact O-ND2 2.93Å; E645-N653 PolarHBondContact O-OD1 3.17Å; G648-N653 WeakPolarHBondContact CA-ND2 3.48Å; D650-N653 PolarHBondContact O-ND2 3.16Å; E651-N653 PolarHBondContact O-N 2.7Å; N653-D655 PolarHBondContact O-N 2.88Å; N653-L656 HydrophobicContact CB-CB 4.32Å; N653-L656 HydrophobicContact CB-CD1 3.94Å; N653-L656 HydrophobicContact CB-CG 3.97Å; N653-L656 PolarHBondContact O-N 2.92Å; N653-V657 PolarHBondContact O-N 3.06Å
654L59.5Low55.7Low153 Ų15381.2 Ų81.280%0.80144%0.444SS*.THydrogen-bonded Turntrans-49.8-32.5174.3-60.1175.2000113.9T652 L656 V657T652-L654 PolarHBondContact O-N 2.95Å; L654-L656 PolarHBondContact O-N 3.45Å; L654-V657 PolarHBondContact O-N 2.91Å
655D59.4Low54.4Low55 Ų5578.9 Ų78.929%0.29444%0.44SS..THydrogen-bonded Turntrans-69.5-15.5177.4-98.6-44.9000114.6R183 N653 R701R183-D655 WeakPolarHBondContact CD-OD2 3.45Å; N653-D655 PolarHBondContact O-N 2.88Å; D655-R701 IonicContact OD1-CZ 3.58Å; D655-R701 IonicContact OD1-NH2 3.14Å; D655-R701 PolarHBondContact OD1-NH2 2.77Å
656L63.3Low53Low15 Ų1579.2 Ų79.28%0.07945%0.453CS..THydrogen-bonded Turntrans-101.9-19.1178.4-60.2-178.1000113.4R150 R153 Q154 F186 G648 N653 L654R150-L656 HydrophobicContact CG-CD2 4Å; R153-L656 HydrophobicContact CB-CD2 4.32Å; R153-L656 HydrophobicContact CG-CD1 3.93Å; R153-L656 HydrophobicContact CG-CD2 4.42Å; Q154-L656 HydrophobicContact CG-CB 4.35Å; Q154-L656 HydrophobicContact CG-CD2 4.31Å; Q154-L656 PolarHBondContact NE2-O 3.1Å; F186-L656 HydrophobicContact CE1-CD2 3.71Å; F186-L656 HydrophobicContact CE1-CG 4.29Å; F186-L656 HydrophobicContact CZ-CD2 3.74Å; G648-L656 WeakPolarHBondContact O-CD1 3.4Å; N653-L656 HydrophobicContact CB-CB 4.32Å; N653-L656 HydrophobicContact CB-CD1 3.94Å; N653-L656 HydrophobicContact CB-CG 3.97Å; N653-L656 PolarHBondContact O-N 2.92Å; L654-L656 PolarHBondContact O-N 3.45Å
657V64.8Low51.4Low74 Ų7482.7 Ų82.745%0.44848%0.478SS..  trans-61.9141.2-179.9-179.80000110.7N653 L654N653-V657 PolarHBondContact O-N 3.06Å; L654-V657 PolarHBondContact O-N 2.91Å
658R62.2Low50.1Low103 Ų10388.5 Ų88.539%0.38951%0.509SS..  trans-101.2128.7175-65.7-172.7-174.6-152.40.5110.5Q154 H700Q154-R658 VanDerWaalsContact OE1-NE 3.17Å; R658-H700 VanDerWaalsContact CZ-NE2 3.29Å; R658-H700 PolarHBondContact NH1-NE2 2.93Å; R658-H700 PolarHBondContact NH2-CE1 3.39Å; R658-H700 PolarHBondContact NH2-NE2 3.28Å
659G54.2Low48.9Very low26 Ų2694.8 Ų94.827%0.26855%0.548SS..SBendtrans75.6178.217600000114.6R701 R702G659-R701 PolarHBondContact N-O 2.97Å; G659-R702 VanDerWaalsContact CA-O 3.25Å; G659-R702 WeakPolarHBondContact CA-O 3.35Å
660T45.1Very low48Very low109 Ų109101.4 Ų101.467%0.66957%0.573SS**SBendtrans-95.71.3-177.745.80000113.6S662T660-S662 PolarHBondContact O-N 2.86Å
661A39.9Very low47.1Very low87 Ų87105.1 Ų105.172%0.71959%0.585SS**THydrogen-bonded Turntrans-88.696-168.800000113.2
662S36Very low46.1Very low93 Ų93103 Ų10365%0.6559%0.593SS**THydrogen-bonded Turntrans158.23213157.40000117.2T660T660-S662 PolarHBondContact O-N 2.86Å
663T34Very low45.4Very low138 Ų138102.5 Ų102.585%0.84760%0.604SS**SBendtrans-73.2-36.4154.8460000111.6V665T663-V665 PolarHBondContact O-N 2.82Å
664D32Very low44.6Very low145 Ų145106.2 Ų106.278%0.77565%0.645SS**  trans-92.570.5173.7-70.7-51000111.6S666D664-S666 PolarHBondContact O-N 3.21Å
665V35.4Very low43.4Very low104 Ų104107 Ų10763%0.6365%0.645SS**  trans-7480.5159.3-176.50000108T663 T667T663-V665 PolarHBondContact O-N 2.82Å; V665-T667 HydrophobicContact CG1-CG2 4.25Å; V665-T667 PolarHBondContact O-N 3.42Å
666S33.9Very low42.3Very low103 Ų103112.6 Ų112.672%0.7267%0.669SS**  trans-63.2108165.949.90000108.2D664 D668D664-S666 PolarHBondContact O-N 3.21Å; S666-D668 PolarHBondContact O-N 2.52Å
667T33.7Very low41Very low109 Ų109118.9 Ų118.967%0.66970%0.698SS**  trans-75.968.8-175.545.20000111V665 T669V665-T667 HydrophobicContact CG1-CG2 4.25Å; V665-T667 PolarHBondContact O-N 3.42Å; T667-T669 VanDerWaalsContact C-N 3.27Å; T667-T669 PolarHBondContact O-N 2.91Å; T667-T669 PolarHBondContact O-OG1 3.09Å
668D35.9Very low39.7Very low127 Ų127121.9 Ų121.968%0.67971%0.712SS**  trans-71.184.5178-164.62.1000110.1S666 R670S666-D668 PolarHBondContact O-N 2.52Å; D668-R670 PolarHBondContact O-N 3.43Å
669T37.6Very low39.2Very low132 Ų132120.2 Ų120.281%0.8173%0.727SS**THydrogen-bonded Turntrans-73.529.5-168.6340000113.6T667T667-T669 VanDerWaalsContact C-N 3.27Å; T667-T669 PolarHBondContact O-N 2.91Å; T667-T669 PolarHBondContact O-OG1 3.09Å
670R49.8Very low39.5Very low227 Ų227124.4 Ų124.486%0.85775%0.747SS**THydrogen-bonded Turntrans-128.827.3-174.6-65.4-169.5178.3-1682.1115D668D668-R670 PolarHBondContact O-N 3.43Å
671K39.5Very low40.8Very low163 Ų163125.8 Ų125.871%0.70975%0.746SS**  trans-95.888.9163.9-83.7-175.4169.5-179.90111.8
672A37.4Very low43Very low106 Ų106123.4 Ų123.488%0.87672%0.72SS**  trans-84.6128.1164.700000110
673G39.2Very low45.6Very low69 Ų69119.7 Ų119.771%0.71169%0.694SS**SBendtrans98.376.6167.200000116.9Q675G673-Q675 VanDerWaalsContact C-N 3.28Å; G673-Q675 PolarHBondContact O-N 3.1Å
674G44.2Very low48.3Very low92 Ų92113.1 Ų113.195%0.94865%0.654SS**  61.62.1126.800000121.7
675Q34.1Very low51.2Low171 Ų171106.2 Ų106.280%0.79962%0.617SS**  trans-96.8108.4172.6-74.8-168.9-29.900111.2G673 Q677G673-Q675 VanDerWaalsContact C-N 3.28Å; G673-Q675 PolarHBondContact O-N 3.1Å; Q675-Q677 PolarHBondContact O-N 3.02Å; Q675-Q677 VanDerWaalsContact O-N 3.11Å
676E35.3Very low53.9Low172 Ų172101.3 Ų101.380%0.80459%0.587SS**  trans-61108.4157.9-68.7-178.9150.200108.3N678E676-N678 PolarHBondContact O-N 3.3Å
677Q36.4Very low56.7Low147 Ų14796.4 Ų96.469%0.68755%0.553SS**  trans-75.186.9166.5-73.1-173.8-55.100107.6Q675 G679Q675-Q677 PolarHBondContact O-N 3.02Å; Q675-Q677 VanDerWaalsContact O-N 3.11Å; Q677-G679 PolarHBondContact O-N 2.66Å
678N37.8Very low59Low136 Ų13693 Ų9373%0.72753%0.53SS*.  trans-6086.5163.6-79.2-22.4000108.5E676 T680E676-N678 PolarHBondContact O-N 3.3Å; N678-T680 PolarHBondContact O-N 3.33Å; N678-T680 VanDerWaalsContact O-N 3.08Å
679G50.9Low61.3Low69 Ų6992.3 Ų92.371%0.71152%0.518SS*.  trans-60.2111.5172.300000108.1Q677 Q681Q677-G679 PolarHBondContact O-N 2.66Å; G679-Q681 PolarHBondContact O-N 2.94Å
680T62.2Low63.7Low114 Ų11487.1 Ų87.170%0.69949%0.485SS*.  trans-61.8109.5-176.648.70000109.6N678 Q682N678-T680 PolarHBondContact O-N 3.33Å; N678-T680 VanDerWaalsContact O-N 3.08Å; T680-Q682 PolarHBondContact O-N 2.99Å
681Q72Confident65.3Low137 Ų13777 Ų7764%0.6445%0.447SS*.  trans-55.2138.2179.671.7-172.134.500110.4G679 S683 D705G679-Q681 PolarHBondContact O-N 2.94Å; Q681-S683 PolarHBondContact O-N 2.99Å; Q681-D705 PolarHBondContact NE2-OD2 2.93Å
682Q86.5Confident67.1Low38 Ų3877.1 Ų77.118%0.17844%0.443CS..  trans-88.3108.6-172.4-65-171.510.900110T680 I704 D705 K817T680-Q682 PolarHBondContact O-N 2.99Å; Q682-I704 HydrophobicContact CB-CG2 4.44Å; Q682-I704 CarbonylContact O-C 3.48Å; Q682-I704 WeakPolarHBondContact O-CA 3.49Å; Q682-I704 WeakPolarHBondContact O-CG2 3.43Å; Q682-D705 PolarHBondContact O-N 3Å; Q682-K817 VanDerWaalsContact C-NZ 3.26Å; Q682-K817 HydrophobicContact CB-CD 4.06Å; Q682-K817 HydrophobicContact CG-CD 4.47Å
683S88.9Confident69.2Low15 Ų1573 Ų7311%0.10541%0.408CS..EExtended strand (participates in β ladder)trans-98128.8177.565.20000114.1Q681 D705 E707 K817 P823Q681-S683 PolarHBondContact O-N 2.99Å; S683-D705 CarbonylContact C-O 3.52Å; S683-D705 WeakPolarHBondContact CA-O 3.42Å; S683-E707 WeakPolarHBondContact CB-OE1 3.36Å; S683-E707 PolarHBondContact OG-OE1 2.93Å; S683-K817 PolarHBondContact O-NZ 3.07Å; S683-P823 WeakPolarHBondContact O-CD 3.33Å; S683-P823 VanDerWaalsContact O-CG 3.29Å; S683-P823 WeakPolarHBondContact O-CG 3.43Å
684V92.1Very high71.2Confident0 Ų073.8 Ų73.80%039%0.393CS..EExtended strand (participates in β ladder)trans-109.2130.2177.3171.40000109.3V686 I704 D705 I706 E707 Y716 L718 K817V684-V686 HydrophobicContact CG1-CG2 3.94Å; V684-I704 HydrophobicContact CB-CG2 4.21Å; V684-I704 HydrophobicContact CG2-CG2 3.55Å; V684-D705 PolarHBondContact N-O 3.16Å; V684-I706 WeakPolarHBondContact O-CA 3.49Å; V684-E707 PolarHBondContact O-N 3.42Å; V684-Y716 HydrophobicContact CG1-CD1 4.29Å; V684-L718 HydrophobicContact CG1-CD2 3.94Å; V684-L718 HydrophobicContact CG2-CD2 4.05Å; V684-K817 HydrophobicContact CG2-CD 4.16Å
685V92.5Very high73.3Confident0 Ų069.4 Ų69.40%035%0.348CS..EExtended strand (participates in β ladder)trans-83.5126.7175.8178.30000108.8E707 V709 L711 I717 P823 A825 A828V685-E707 WeakPolarHBondContact CA-O 3.4Å; V685-E707 HydrophobicContact CG2-CB 4.09Å; V685-V709 HydrophobicContact CG1-CB 4.43Å; V685-V709 HydrophobicContact CG1-CG1 4.25Å; V685-V709 HydrophobicContact CG1-CG2 3.34Å; V685-L711 HydrophobicContact CG1-CD2 4.4Å; V685-I717 HydrophobicContact CB-CB 4.26Å; V685-I717 HydrophobicContact CG1-CD1 4.27Å; V685-I717 PolarHBondContact N-O 3.14Å; V685-I717 PolarHBondContact O-N 2.94Å; V685-P823 HydrophobicContact CG2-CB 4.21Å; V685-P823 HydrophobicContact CG2-CG 4.09Å; V685-A825 HydrophobicContact CG2-CB 4.18Å; V685-A828 HydrophobicContact CG1-CB 4.38Å
686V92.5Very high76Confident0 Ų061.3 Ų61.30%031%0.31CS..EExtended strand (participates in β ladder)trans-128.7136.4-170.9-177.80000110.9V684 M688 F691 P696 I706 E707 V709 Y716V684-V686 HydrophobicContact CG1-CG2 3.94Å; V686-M688 PolarHBondContact O-N 3.36Å; V686-F691 HydrophobicContact CB-CE2 4.04Å; V686-F691 HydrophobicContact CB-CZ 4.12Å; V686-F691 HydrophobicContact CG1-CD2 4.31Å; V686-F691 HydrophobicContact CG1-CE2 3.77Å; V686-F691 HydrophobicContact CG1-CZ 4.06Å; V686-P696 HydrophobicContact CG1-CG 4.21Å; V686-I706 HydrophobicContact CB-CG2 4.11Å; V686-I706 HydrophobicContact CG2-CG2 3.74Å; V686-E707 PolarHBondContact N-O 2.85Å; V686-V709 PolarHBondContact O-N 3.49Å; V686-Y716 HydrophobicContact CB-CD1 4.47Å; V686-Y716 HydrophobicContact CG1-CD1 4.17Å; V686-Y716 HydrophobicContact CG1-CE1 3.88Å; V686-Y716 HydrophobicContact CG2-CD1 3.75Å; V686-Y716 HydrophobicContact CG2-CE1 3.97Å
687D91.6Very high78.4Confident1 Ų153.6 Ų53.61%0.00528%0.275CS..EExtended strand (participates in β ladder)trans-63.8126.4175-178.28.8000112.1R689 E690 F691 V709 L711 D715D687-R689 PolarHBondContact O-N 3.49Å; D687-R689 PolarHBondContact OD1-N 3.1Å; D687-R689 IonicContact OD1-NE 2.7Å; D687-R689 WeakPolarHBondContact OD2-CB 3.4Å; D687-R689 IonicContact OD2-CZ 2.59Å; D687-R689 IonicContact OD2-NE 2.91Å; D687-R689 PolarHBondContact OD2-NE 3.28Å; D687-R689 IonicContact OD2-NH2 2.72Å; D687-R689 PolarHBondContact OD2-NH2 2.93Å; D687-E690 HydrophobicContact CB-CB 4.32Å; D687-E690 WeakPolarHBondContact O-CB 3.28Å; D687-E690 PolarHBondContact O-N 2.94Å; D687-F691 WeakPolarHBondContact O-CD2 3.26Å; D687-V709 CarbonylContact C-O 3.43Å; D687-V709 VanDerWaalsContact CA-O 3.3Å; D687-V709 WeakPolarHBondContact CA-O 3.32Å; D687-L711 HydrophobicContact CB-CB 4.22Å; D687-L711 HydrophobicContact CB-CD1 4.33Å; D687-L711 HydrophobicContact CB-CG 4.41Å; D687-D715 PolarHBondContact N-O 2.62Å
688M83.2Confident80.8Confident38 Ų3847.2 Ų47.219%0.18725%0.245CC..THydrogen-bonded Turntrans-42.9-31.6167.4-81.5-61.6-63.700114.9V116 V686 P708 V709 T710V116-M688 HydrophobicContact CG2-CE 3.56Å; V116-M688 HydrophobicContact CG2-SD 3.29Å; V116-M688 WeakPolarHBondContact CG2-SD 3.49Å; V686-M688 PolarHBondContact O-N 3.36Å; M688-P708 HydrophobicContact SD-CB 4.02Å; M688-V709 WeakPolarHBondContact CG-O 3.44Å; M688-V709 PolarHBondContact N-O 2.93Å; M688-T710 HydrophobicContact CB-CG2 4.04Å; M688-T710 HydrophobicContact CG-CG2 3.94Å
689R84.7Confident83.2Confident111 Ų11140.7 Ų40.742%0.41921%0.211SC..THydrogen-bonded Turntrans-75.6-27.1178.9-56.6178.4-63.2-132.2-3.2113D687 R692 L711 E712D687-R689 PolarHBondContact O-N 3.49Å; D687-R689 PolarHBondContact OD1-N 3.1Å; D687-R689 IonicContact OD1-NE 2.7Å; D687-R689 WeakPolarHBondContact OD2-CB 3.4Å; D687-R689 IonicContact OD2-CZ 2.59Å; D687-R689 IonicContact OD2-NE 2.91Å; D687-R689 PolarHBondContact OD2-NE 3.28Å; D687-R689 IonicContact OD2-NH2 2.72Å; D687-R689 PolarHBondContact OD2-NH2 2.93Å; R689-R692 WeakPolarHBondContact O-CD 3.26Å; R689-R692 WeakPolarHBondContact O-CG 3.25Å; R689-R692 PolarHBondContact O-NE 3.37Å; R689-L711 VanDerWaalsContact CZ-O 3.27Å; R689-L711 PolarHBondContact NH1-O 3.35Å; R689-L711 PolarHBondContact NH2-O 2.82Å; R689-E712 IonicContact CZ-OE1 2.7Å; R689-E712 IonicContact NH1-OE1 2.67Å; R689-E712 PolarHBondContact NH1-OE1 2.96Å; R689-E712 IonicContact NH1-OE2 3.29Å
690E87.1Confident85Confident24 Ų2437.6 Ų37.611%0.11218%0.178CC..G310 helixtrans-88-13.1-171.4170.556.1-173.300113.7D687 R692 S693 D715 Y716 R726D687-E690 HydrophobicContact CB-CB 4.32Å; D687-E690 WeakPolarHBondContact O-CB 3.28Å; D687-E690 PolarHBondContact O-N 2.94Å; E690-R692 PolarHBondContact O-N 2.69Å; E690-S693 PolarHBondContact O-N 3.47Å; E690-S693 PolarHBondContact O-OG 3.1Å; E690-S693 WeakPolarHBondContact OE1-CB 3.45Å; E690-S693 PolarHBondContact OE1-OG 3.22Å; E690-D715 HydrophobicContact CB-CB 4.42Å; E690-D715 HydrophobicContact CG-CB 4.34Å; E690-Y716 HydrophobicContact CG-CE1 4.49Å; E690-Y716 HydrophobicContact CG-CE2 3.58Å; E690-Y716 WeakPolarHBondContact CG-OH 3.47Å; E690-Y716 PolarHBondContact OE1-OH 3.37Å; E690-R726 WeakPolarHBondContact OE1-CD 3.37Å; E690-R726 IonicContact OE1-CZ 2.79Å; E690-R726 IonicContact OE1-NE 2.74Å; E690-R726 IonicContact OE1-NH1 2.77Å; E690-R726 PolarHBondContact OE1-NH1 3.36Å; E690-R726 IonicContact OE2-NH1 2.7Å; E690-R726 PolarHBondContact OE2-NH1 2.83Å
691F83.6Confident86Confident15 Ų1535.9 Ų35.97%0.06616%0.158CC..G310 helixtrans-58.3-1.8166.8-74.6-86.9000114.8V115 L119 Q144 V686 D687 S693 P696 I706 P708V115-F691 HydrophobicContact CG1-CD1 3.72Å; V115-F691 HydrophobicContact CG1-CE1 3.9Å; V115-F691 HydrophobicContact CG1-CG 4.49Å; L119-F691 HydrophobicContact CD1-CE1 3.77Å; L119-F691 HydrophobicContact CD1-CZ 4.02Å; Q144-F691 WeakPolarHBondContact CG-O 3.41Å; Q144-F691 PolarHBondContact NE2-O 2.91Å; V686-F691 HydrophobicContact CB-CE2 4.04Å; V686-F691 HydrophobicContact CB-CZ 4.12Å; V686-F691 HydrophobicContact CG1-CD2 4.31Å; V686-F691 HydrophobicContact CG1-CE2 3.77Å; V686-F691 HydrophobicContact CG1-CZ 4.06Å; D687-F691 WeakPolarHBondContact O-CD2 3.26Å; F691-S693 VanDerWaalsContact C-N 3.26Å; F691-P696 HydrophobicContact CD1-CB 3.94Å; F691-P696 HydrophobicContact CD1-CG 4.28Å; F691-P696 HydrophobicContact CE1-CB 3.89Å; F691-P696 HydrophobicContact CE1-CG 4.5Å; F691-I706 HydrophobicContact CE1-CG2 4.05Å; F691-I706 HydrophobicContact CZ-CG2 3.64Å; F691-P708 HydrophobicContact CE2-CB 3.68Å; F691-P708 HydrophobicContact CZ-CB 3.73Å
692R76.8Confident86.6Confident164 Ų16432.3 Ų32.362%0.61914%0.139SC*.G310 helixtrans-74.6-15.2168.2-60.5176.4-164.9-156.35.3112.9R689 E690R689-R692 WeakPolarHBondContact O-CD 3.26Å; R689-R692 WeakPolarHBondContact O-CG 3.25Å; R689-R692 PolarHBondContact O-NE 3.37Å; E690-R692 PolarHBondContact O-N 2.69Å
693S81.9Confident86.4Confident21 Ų2132 Ų3215%0.14715%0.146CC..SBendtrans-96.2166.6-179.692.80000112.2E690 F691 L695 P696 R726E690-S693 PolarHBondContact O-N 3.47Å; E690-S693 PolarHBondContact O-OG 3.1Å; E690-S693 WeakPolarHBondContact OE1-CB 3.45Å; E690-S693 PolarHBondContact OE1-OG 3.22Å; F691-S693 VanDerWaalsContact C-N 3.26Å; S693-L695 VanDerWaalsContact C-N 3.28Å; S693-L695 PolarHBondContact O-N 2.84Å; S693-L695 PolarHBondContact OG-N 3.4Å; S693-P696 WeakPolarHBondContact OG-CD 3.3Å; S693-R726 VanDerWaalsContact CB-NH1 3.27Å; S693-R726 PolarHBondContact OG-NH1 2.92Å
694E81.4Confident86.4Confident84 Ų8431.5 Ų31.539%0.39314%0.142SC..SBendtrans-71.2-26.8179.3-43.3-167.516700112.5S142 S697 L698S142-E694 WeakPolarHBondContact CB-OE1 3.49Å; E694-S697 WeakPolarHBondContact O-CB 3.26Å; E694-S697 PolarHBondContact O-N 2.98Å; E694-S697 PolarHBondContact O-OG 2.65Å; E694-L698 PolarHBondContact O-N 3.39Å
695L88.2Confident86.2Confident0 Ų033.3 Ų33.30%015%0.152CC..Hα-helixtrans-64.3-42.7-161.8177.159.7000113.9S693 S697 L698 I699 Y716 P806 T809 A810 F813S693-L695 VanDerWaalsContact C-N 3.28Å; S693-L695 PolarHBondContact O-N 2.84Å; S693-L695 PolarHBondContact OG-N 3.4Å; L695-S697 PolarHBondContact O-N 3.49Å; L695-L698 PolarHBondContact O-N 3.11Å; L695-I699 HydrophobicContact CD1-CD1 4Å; L695-I699 HydrophobicContact CD1-CG1 3.94Å; L695-I699 HydrophobicContact CD2-CD1 4.43Å; L695-I699 HydrophobicContact CG-CD1 3.75Å; L695-I699 HydrophobicContact CG-CG1 4.22Å; L695-I699 WeakPolarHBondContact O-CG1 3.34Å; L695-I699 PolarHBondContact O-N 3.15Å; L695-Y716 HydrophobicContact CD2-CE1 4.29Å; L695-Y716 HydrophobicContact CD2-CE2 4.09Å; L695-Y716 WeakPolarHBondContact CD2-OH 3.5Å; L695-Y716 HydrophobicContact CG-CE1 4.45Å; L695-P806 WeakPolarHBondContact CD1-O 3.42Å; L695-T809 HydrophobicContact CD1-CG2 3.8Å; L695-T809 HydrophobicContact CD2-CG2 3.48Å; L695-T809 VanDerWaalsContact CD2-CG2 3.48Å; L695-T809 HydrophobicContact CG-CG2 4.32Å; L695-A810 HydrophobicContact CD1-CB 4.16Å; L695-F813 HydrophobicContact CD2-CE2 4.21Å; L695-F813 HydrophobicContact CD2-CZ 4.39Å
696P89.5Confident86.1Confident2 Ų233.5 Ų33.51%0.01315%0.153CC..Hα-helixtrans-57.1-35.6173.4-27.137.6000112.8V686 F691 S693 L698 H700 I706 Y716V686-P696 HydrophobicContact CG1-CG 4.21Å; F691-P696 HydrophobicContact CD1-CB 3.94Å; F691-P696 HydrophobicContact CD1-CG 4.28Å; F691-P696 HydrophobicContact CE1-CB 3.89Å; F691-P696 HydrophobicContact CE1-CG 4.5Å; S693-P696 WeakPolarHBondContact OG-CD 3.3Å; P696-L698 PolarHBondContact O-N 3.32Å; P696-H700 WeakPolarHBondContact O-CB 3.28Å; P696-H700 PolarHBondContact O-N 2.88Å; P696-H700 VanDerWaalsContact O-N 3.09Å; P696-I706 HydrophobicContact CB-CD1 4.01Å; P696-I706 WeakPolarHBondContact O-CD1 3.2Å; P696-Y716 WeakPolarHBondContact CD-OH 3.46Å; P696-Y716 HydrophobicContact CG-CE1 4.47Å
697S85.5Confident85.9Confident10 Ų1036.4 Ų36.47%0.0717%0.166CC..Hα-helixtrans-70.2-20.817887.40000113.6R150 E694 L695 R701R150-S697 PolarHBondContact NH1-O 2.94Å; E694-S697 WeakPolarHBondContact O-CB 3.26Å; E694-S697 PolarHBondContact O-N 2.98Å; E694-S697 PolarHBondContact O-OG 2.65Å; L695-S697 PolarHBondContact O-N 3.49Å; S697-R701 PolarHBondContact O-N 3.24Å
698L87.1Confident85.8Confident12 Ų1237.1 Ų37.16%0.06317%0.171CC..Hα-helixtrans-91-41.7178.1-61.5176.2000111.8E694 L695 P696 H700 R701 R702 P806 A810E694-L698 PolarHBondContact O-N 3.39Å; L695-L698 PolarHBondContact O-N 3.11Å; P696-L698 PolarHBondContact O-N 3.32Å; L698-H700 VanDerWaalsContact C-N 3.3Å; L698-H700 PolarHBondContact O-N 2.96Å; L698-R701 PolarHBondContact O-N 3.43Å; L698-R701 VanDerWaalsContact O-N 3.11Å; L698-R702 PolarHBondContact O-N 3.04Å; L698-P806 HydrophobicContact CD1-CB 3.75Å; L698-A810 HydrophobicContact CB-CB 4.06Å
699I89.4Confident86Confident0 Ų036.1 Ų36.10%017%0.167CC..Hα-helixtrans-54.2-49.5170.8-69.2167.2000109.6L695 R701 R702 G703 I704 I706 Y716 A810 F813L695-I699 HydrophobicContact CD1-CD1 4Å; L695-I699 HydrophobicContact CD1-CG1 3.94Å; L695-I699 HydrophobicContact CD2-CD1 4.43Å; L695-I699 HydrophobicContact CG-CD1 3.75Å; L695-I699 HydrophobicContact CG-CG1 4.22Å; L695-I699 WeakPolarHBondContact O-CG1 3.34Å; L695-I699 PolarHBondContact O-N 3.15Å; I699-R701 VanDerWaalsContact C-N 3.33Å; I699-R701 PolarHBondContact O-N 3.16Å; I699-R702 WeakPolarHBondContact O-CB 3.01Å; I699-R702 PolarHBondContact O-N 3.28Å; I699-R702 VanDerWaalsContact O-N 3.12Å; I699-G703 PolarHBondContact O-N 3.21Å; I699-I704 HydrophobicContact CG2-CB 3.67Å; I699-I704 HydrophobicContact CG2-CD1 4.4Å; I699-I704 HydrophobicContact CG2-CG2 3.65Å; I699-I704 PolarHBondContact O-N 2.76Å; I699-I706 HydrophobicContact CB-CD1 4.03Å; I699-I706 HydrophobicContact CG2-CD1 3.86Å; I699-I706 HydrophobicContact CG2-CG1 4.02Å; I699-Y716 HydrophobicContact CD1-CD1 4.14Å; I699-Y716 HydrophobicContact CD1-CE1 3.66Å; I699-A810 HydrophobicContact CG1-CB 4.18Å; I699-F813 HydrophobicContact CD1-CD2 3.6Å; I699-F813 HydrophobicContact CD1-CE2 3.81Å; I699-F813 HydrophobicContact CG1-CD2 4.13Å
700H87.9Confident86.1Confident3 Ų334.8 Ų34.81%0.01417%0.172CC..Hα-helixtrans-63.9-33.9176.9-176.5-88.2000113.4F147 L151 Q154 R658 P696 L698 R702 G703 I704 I706F147-H700 HydrophobicContact CE2-CB 3.87Å; F147-H700 AromaticContact CE2-CG 3.82Å; F147-H700 AromaticContact CE2-ND1 3.77Å; F147-H700 HydrophobicContact CZ-CB 3.93Å; F147-H700 AromaticContact CZ-CG 3.89Å; L151-H700 WeakPolarHBondContact CD2-CE1 3.44Å; L151-H700 WeakPolarHBondContact CD2-NE2 3.42Å; Q154-H700 PolarHBondContact OE1-CE1 3.11Å; R658-H700 VanDerWaalsContact CZ-NE2 3.29Å; R658-H700 PolarHBondContact NH1-NE2 2.93Å; R658-H700 PolarHBondContact NH2-CE1 3.39Å; R658-H700 PolarHBondContact NH2-NE2 3.28Å; P696-H700 WeakPolarHBondContact O-CB 3.28Å; P696-H700 PolarHBondContact O-N 2.88Å; P696-H700 VanDerWaalsContact O-N 3.09Å; L698-H700 VanDerWaalsContact C-N 3.3Å; L698-H700 PolarHBondContact O-N 2.96Å; H700-R702 VanDerWaalsContact C-N 3.34Å; H700-G703 PolarHBondContact O-N 3.3Å; H700-G703 VanDerWaalsContact O-N 3.16Å; H700-I704 WeakPolarHBondContact CA-O 3.49Å; H700-I706 HydrophobicContact CB-CD1 3.9Å; H700-I706 HydrophobicContact CB-CG1 4.49Å
701R83.9Confident86.1Confident78 Ų7833.8 Ų33.829%0.29417%0.167SC..Hα-helixtrans-67.9-32.6174-174.1-173.2-93.5152.5-17.8111.8D655 G659 S697 L698 I699 G703D655-R701 IonicContact OD1-CZ 3.58Å; D655-R701 IonicContact OD1-NH2 3.14Å; D655-R701 PolarHBondContact OD1-NH2 2.77Å; G659-R701 PolarHBondContact N-O 2.97Å; S697-R701 PolarHBondContact O-N 3.24Å; L698-R701 PolarHBondContact O-N 3.43Å; L698-R701 VanDerWaalsContact O-N 3.11Å; I699-R701 VanDerWaalsContact C-N 3.33Å; I699-R701 PolarHBondContact O-N 3.16Å; R701-G703 PolarHBondContact O-N 3.44Å
702R83.2Confident86Confident62 Ų6238 Ų3823%0.23419%0.187CC..THydrogen-bonded Turntrans-69.1-8.8171.6-72-70.1-179.4127.7-4.2113.8G659 L698 I699 H700 A810 E811 E814G659-R702 VanDerWaalsContact CA-O 3.25Å; G659-R702 WeakPolarHBondContact CA-O 3.35Å; L698-R702 PolarHBondContact O-N 3.04Å; I699-R702 WeakPolarHBondContact O-CB 3.01Å; I699-R702 PolarHBondContact O-N 3.28Å; I699-R702 VanDerWaalsContact O-N 3.12Å; H700-R702 VanDerWaalsContact C-N 3.34Å; R702-A810 HydrophobicContact CG-CB 4.22Å; R702-E811 IonicContact CZ-OE2 3.45Å; R702-E811 VanDerWaalsContact CZ-OE2 3.23Å; R702-E811 IonicContact NH1-OE2 3.14Å; R702-E811 PolarHBondContact NH1-OE2 3.32Å; R702-E811 IonicContact NH2-OE2 3.86Å; R702-E811 PolarHBondContact NH2-OE2 3.03Å; R702-E814 WeakPolarHBondContact CD-OE2 3.49Å; R702-E814 IonicContact NH1-OE2 2.86Å; R702-E814 PolarHBondContact NH1-OE2 3.03Å
703G83.7Confident86.5Confident32 Ų3231.1 Ų31.133%0.3316%0.163SC..THydrogen-bonded Turntrans87.87.4-179.700000114.3I699 H700 R701I699-G703 PolarHBondContact O-N 3.21Å; H700-G703 PolarHBondContact O-N 3.3Å; H700-G703 VanDerWaalsContact O-N 3.16Å; R701-G703 PolarHBondContact O-N 3.44Å
704I87.6Confident86.7Confident5 Ų530.4 Ų30.43%0.02616%0.159CC..  trans-77.2125.4166.4-58.6175000107.3Q682 V684 I699 H700 E814Q682-I704 HydrophobicContact CB-CG2 4.44Å; Q682-I704 CarbonylContact O-C 3.48Å; Q682-I704 WeakPolarHBondContact O-CA 3.49Å; Q682-I704 WeakPolarHBondContact O-CG2 3.43Å; V684-I704 HydrophobicContact CB-CG2 4.21Å; V684-I704 HydrophobicContact CG2-CG2 3.55Å; I699-I704 HydrophobicContact CG2-CB 3.67Å; I699-I704 HydrophobicContact CG2-CD1 4.4Å; I699-I704 HydrophobicContact CG2-CG2 3.65Å; I699-I704 PolarHBondContact O-N 2.76Å; H700-I704 WeakPolarHBondContact CA-O 3.49Å; I704-E814 HydrophobicContact CD1-CB 4.01Å; I704-E814 HydrophobicContact CD1-CG 4.33Å
705D88.7Confident87.2Confident37 Ų3727.5 Ų27.520%0.19815%0.146CC..EExtended strand (participates in β ladder)trans-77157.1179.9-158.19.5000111.3Q681 Q682 S683 V684Q681-D705 PolarHBondContact NE2-OD2 2.93Å; Q682-D705 PolarHBondContact O-N 3Å; S683-D705 CarbonylContact C-O 3.52Å; S683-D705 WeakPolarHBondContact CA-O 3.42Å; V684-D705 PolarHBondContact N-O 3.16Å
706I90.5Very high87.5Confident4 Ų427.5 Ų27.52%0.02115%0.146CC..EExtended strand (participates in β ladder)trans-130.5119.4-170.1-62.3-173000111.7L119 V684 V686 F691 P696 I699 H700 P708L119-I706 HydrophobicContact CD1-CB 4.32Å; L119-I706 HydrophobicContact CD1-CG2 4.05Å; V684-I706 WeakPolarHBondContact O-CA 3.49Å; V686-I706 HydrophobicContact CB-CG2 4.11Å; V686-I706 HydrophobicContact CG2-CG2 3.74Å; F691-I706 HydrophobicContact CE1-CG2 4.05Å; F691-I706 HydrophobicContact CZ-CG2 3.64Å; P696-I706 HydrophobicContact CB-CD1 4.01Å; P696-I706 WeakPolarHBondContact O-CD1 3.2Å; I699-I706 HydrophobicContact CB-CD1 4.03Å; I699-I706 HydrophobicContact CG2-CD1 3.86Å; I699-I706 HydrophobicContact CG2-CG1 4.02Å; H700-I706 HydrophobicContact CB-CD1 3.9Å; H700-I706 HydrophobicContact CB-CG1 4.49Å; I706-P708 VanDerWaalsContact O-CD 3.24Å; I706-P708 WeakPolarHBondContact O-CD 3.49Å
707E89.1Confident87.6Confident61 Ų6127.7 Ų27.729%0.28515%0.147SC..EExtended strand (participates in β ladder)trans-100.5101.4175.8-70.8177.9-130.400110S683 V684 V685 V686 V709 A825S683-E707 WeakPolarHBondContact CB-OE1 3.36Å; S683-E707 PolarHBondContact OG-OE1 2.93Å; V684-E707 PolarHBondContact O-N 3.42Å; V685-E707 WeakPolarHBondContact CA-O 3.4Å; V685-E707 HydrophobicContact CG2-CB 4.09Å; V686-E707 PolarHBondContact N-O 2.85Å; E707-V709 PolarHBondContact O-N 2.98Å; E707-A825 VanDerWaalsContact OE2-CB 3.27Å; E707-A825 WeakPolarHBondContact OE2-CB 3.25Å
708P89.1Confident87.9Confident16 Ų1627.2 Ų27.210%0.10414%0.143CC..EExtended strand (participates in β ladder)trans-76.7121.1179.729.5-34.4000111.8V116 L119 T120 M688 F691 I706V116-P708 HydrophobicContact CB-CG 4.39Å; V116-P708 HydrophobicContact CG1-CG 4.09Å; V116-P708 HydrophobicContact CG2-CB 4.12Å; V116-P708 HydrophobicContact CG2-CG 4.2Å; L119-P708 HydrophobicContact CB-CG 4.4Å; L119-P708 HydrophobicContact CD1-CG 4.29Å; T120-P708 HydrophobicContact CG2-CG 3.85Å; M688-P708 HydrophobicContact SD-CB 4.02Å; F691-P708 HydrophobicContact CE2-CB 3.68Å; F691-P708 HydrophobicContact CZ-CB 3.73Å; I706-P708 VanDerWaalsContact O-CD 3.24Å; I706-P708 WeakPolarHBondContact O-CD 3.49Å
709V86.6Confident88.1Confident17 Ų1726.7 Ų26.710%0.10314%0.141CC..EExtended strand (participates in β ladder)trans-139.5163.3173.8-520000111.4V685 V686 D687 M688 E707 L711 A825 L829V685-V709 HydrophobicContact CG1-CB 4.43Å; V685-V709 HydrophobicContact CG1-CG1 4.25Å; V685-V709 HydrophobicContact CG1-CG2 3.34Å; V686-V709 PolarHBondContact O-N 3.49Å; D687-V709 CarbonylContact C-O 3.43Å; D687-V709 VanDerWaalsContact CA-O 3.3Å; D687-V709 WeakPolarHBondContact CA-O 3.32Å; M688-V709 WeakPolarHBondContact CG-O 3.44Å; M688-V709 PolarHBondContact N-O 2.93Å; E707-V709 PolarHBondContact O-N 2.98Å; V709-L711 HydrophobicContact CG2-CD2 3.47Å; V709-L711 VanDerWaalsContact CG2-CD2 3.47Å; V709-L711 HydrophobicContact CG2-CG 3.76Å; V709-A825 HydrophobicContact CG1-CB 4.02Å; V709-L829 HydrophobicContact CB-CD2 4.22Å
710T87.3Confident88Confident84 Ų8429.9 Ų29.952%0.51516%0.161SC..  trans-83.4116.5169.4470000109.9M688M688-T710 HydrophobicContact CB-CG2 4.04Å; M688-T710 HydrophobicContact CG-CG2 3.94Å
711L86.3Confident88.1Confident2 Ų231.8 Ų31.81%0.0117%0.171CC..  trans-109134.7178.1-63.5179.7000110.9V685 D687 R689 V709 I717 A828V685-L711 HydrophobicContact CG1-CD2 4.4Å; D687-L711 HydrophobicContact CB-CB 4.22Å; D687-L711 HydrophobicContact CB-CD1 4.33Å; D687-L711 HydrophobicContact CB-CG 4.41Å; R689-L711 VanDerWaalsContact CZ-O 3.27Å; R689-L711 PolarHBondContact NH1-O 3.35Å; R689-L711 PolarHBondContact NH2-O 2.82Å; V709-L711 HydrophobicContact CG2-CD2 3.47Å; V709-L711 VanDerWaalsContact CG2-CD2 3.47Å; V709-L711 HydrophobicContact CG2-CG 3.76Å; L711-I717 HydrophobicContact CD1-CD1 3.89Å; L711-I717 HydrophobicContact CD1-CG1 4.02Å; L711-I717 HydrophobicContact CD2-CD1 3.78Å; L711-A828 HydrophobicContact CD2-CB 3.97Å
712E83Confident88.4Confident105 Ų10528.9 Ų28.949%0.49116%0.16SC..SBendtrans-92.8-11.2171.6-70.8-54.2108.100113.7R689 T832R689-E712 IonicContact CZ-OE1 2.7Å; R689-E712 IonicContact NH1-OE1 2.67Å; R689-E712 PolarHBondContact NH1-OE1 2.96Å; R689-E712 IonicContact NH1-OE2 3.29Å; E712-T832 HydrophobicContact CB-CG2 4.03Å; E712-T832 HydrophobicContact CG-CG2 4.2Å
713V85.9Confident88.8Confident18 Ų1825.9 Ų25.911%0.10915%0.149CC..SBendtrans-137.4104.5-178-177.70000110.3M748 Y751 Y752V713-M748 HydrophobicContact CG1-CB 4.27Å; V713-M748 HydrophobicContact CG1-CG 3.75Å; V713-Y751 HydrophobicContact CG1-CD2 4.44Å; V713-Y751 HydrophobicContact CG2-CD2 4Å; V713-Y751 HydrophobicContact CG2-CE2 4.18Å; V713-Y752 HydrophobicContact CB-CE2 4.49Å; V713-Y752 HydrophobicContact CG1-CD2 4.35Å; V713-Y752 HydrophobicContact CG1-CE2 4.16Å
714G87.5Confident89.4Confident6 Ų624.4 Ų24.46%0.06213%0.134CC..  trans86.9163.5-177.600000113.9
715D91.4Very high89.7Confident24 Ų2424.5 Ų24.513%0.12813%0.134CC..SBendtrans-103.1-30.2-176.9-46.5-64.6000112D687 E690 V724 E725 R726D687-D715 PolarHBondContact N-O 2.62Å; E690-D715 HydrophobicContact CB-CB 4.42Å; E690-D715 HydrophobicContact CG-CB 4.34Å; D715-V724 PolarHBondContact N-O 3.2Å; D715-E725 WeakPolarHBondContact OD2-CA 3.49Å; D715-E725 WeakPolarHBondContact OD2-CG 3.41Å; D715-R726 PolarHBondContact OD2-N 3.43Å
716Y93.4Very high89.9Confident0 Ų025 Ų250%013%0.133CC..EExtended strand (participates in β ladder)trans-135.5137.1178-57.9-100.5000111.1V684 V686 E690 L695 P696 I699 V724 R726 F813V684-Y716 HydrophobicContact CG1-CD1 4.29Å; V686-Y716 HydrophobicContact CB-CD1 4.47Å; V686-Y716 HydrophobicContact CG1-CD1 4.17Å; V686-Y716 HydrophobicContact CG1-CE1 3.88Å; V686-Y716 HydrophobicContact CG2-CD1 3.75Å; V686-Y716 HydrophobicContact CG2-CE1 3.97Å; E690-Y716 HydrophobicContact CG-CE1 4.49Å; E690-Y716 HydrophobicContact CG-CE2 3.58Å; E690-Y716 WeakPolarHBondContact CG-OH 3.47Å; E690-Y716 PolarHBondContact OE1-OH 3.37Å; L695-Y716 HydrophobicContact CD2-CE1 4.29Å; L695-Y716 HydrophobicContact CD2-CE2 4.09Å; L695-Y716 WeakPolarHBondContact CD2-OH 3.5Å; L695-Y716 HydrophobicContact CG-CE1 4.45Å; P696-Y716 WeakPolarHBondContact CD-OH 3.46Å; P696-Y716 HydrophobicContact CG-CE1 4.47Å; I699-Y716 HydrophobicContact CD1-CD1 4.14Å; I699-Y716 HydrophobicContact CD1-CE1 3.66Å; Y716-V724 PolarHBondContact N-O 2.91Å; Y716-V724 VanDerWaalsContact N-O 3.11Å; Y716-V724 PolarHBondContact O-N 3.4Å; Y716-R726 HydrophobicContact CD2-CB 4.48Å; Y716-R726 HydrophobicContact CE2-CB 4.12Å; Y716-F813 AromaticContact CD1-CE2 3.76Å; Y716-F813 HydrophobicContact CD1-CE2 3.76Å; Y716-F813 HydrophobicContact CD2-CE2 4.36Å; Y716-F813 HydrophobicContact CD2-CZ 4.42Å; Y716-F813 HydrophobicContact CE1-CE2 4.14Å; Y716-F813 AromaticContact CG-CE2 3.91Å; Y716-F813 HydrophobicContact CG-CE2 3.91Å; Y716-F813 HydrophobicContact CG-CZ 4.29Å
717I93.4Very high89.8Confident5 Ų525.3 Ų25.33%0.02613%0.134CC..EExtended strand (participates in β ladder)trans-114110.7169.5-53.5164.6000107.6V685 L711 T719 Y752 P823 A828V685-I717 HydrophobicContact CB-CB 4.26Å; V685-I717 HydrophobicContact CG1-CD1 4.27Å; V685-I717 PolarHBondContact N-O 3.14Å; V685-I717 PolarHBondContact O-N 2.94Å; L711-I717 HydrophobicContact CD1-CD1 3.89Å; L711-I717 HydrophobicContact CD1-CG1 4.02Å; L711-I717 HydrophobicContact CD2-CD1 3.78Å; I717-T719 WeakPolarHBondContact CG2-O 3.49Å; I717-Y752 VanDerWaalsContact CD1-OH 3.23Å; I717-Y752 WeakPolarHBondContact CD1-OH 3.28Å; I717-Y752 HydrophobicContact CG2-CE1 4.4Å; I717-P823 HydrophobicContact CG2-CB 3.93Å; I717-A828 HydrophobicContact CD1-CB 3.52Å
718L91.9Very high89.7Confident0 Ų023.8 Ų23.80%013%0.131CC..EExtended strand (participates in β ladder)trans-84.5-33-176.4-59.7-177.5000112.2V684 M722 V724 F813 L816V684-L718 HydrophobicContact CG1-CD2 3.94Å; V684-L718 HydrophobicContact CG2-CD2 4.05Å; L718-M722 HydrophobicContact CD1-SD 4.3Å; L718-M722 PolarHBondContact N-O 3.2Å; L718-M722 VanDerWaalsContact N-O 3.1Å; L718-V724 HydrophobicContact CD1-CG2 3.79Å; L718-V724 HydrophobicContact CG-CG2 3.92Å; L718-F813 HydrophobicContact CD1-CD1 4Å; L718-F813 HydrophobicContact CD1-CE1 4.27Å; L718-F813 HydrophobicContact CD1-CG 4.29Å; L718-F813 HydrophobicContact CD2-CB 4.29Å; L718-F813 HydrophobicContact CD2-CD1 4.3Å; L718-F813 HydrophobicContact CD2-CD2 3.67Å; L718-F813 HydrophobicContact CD2-CE2 3.99Å; L718-F813 HydrophobicContact CD2-CG 3.84Å; L718-F813 HydrophobicContact CD2-CZ 4.42Å; L718-L816 HydrophobicContact CD1-CB 4.29Å; L718-L816 HydrophobicContact CD1-CD1 4.05Å
719T90.1Very high89.4Confident1 Ų124.8 Ų24.81%0.00614%0.135CC..EExtended strand (participates in β ladder)trans-152.8164.9178.577.40000109.5I717 E721 M722 K820I717-T719 WeakPolarHBondContact CG2-O 3.49Å; T719-E721 PolarHBondContact O-N 3.36Å; T719-M722 PolarHBondContact O-N 3.17Å; T719-M722 WeakPolarHBondContact OG1-CB 3.47Å; T719-K820 HydrophobicContact CG2-CB 3.72Å; T719-K820 HydrophobicContact CG2-CD 3.77Å; T719-K820 HydrophobicContact CG2-CG 4.39Å
720P87.8Confident89Confident67 Ų6725.3 Ų25.344%0.43514%0.139SC..THydrogen-bonded Turntrans-57-16.4-178.6-26.635000116P821 Q822P720-P821 WeakPolarHBondContact CD-O 3.35Å; P720-Q822 VanDerWaalsContact CD-O 3.28Å; P720-Q822 WeakPolarHBondContact CD-O 3.19Å; P720-Q822 WeakPolarHBondContact CG-O 3.34Å
721E88.9Confident88.9Confident44 Ų4426 Ų2621%0.20614%0.14CC..THydrogen-bonded Turntrans-109.1-6.6177.358.1158.6-151.400114.7T719 K753 R754T719-E721 PolarHBondContact O-N 3.36Å; E721-K753 HydrophobicContact CB-CB 4.16Å; E721-K753 HydrophobicContact CB-CD 4.14Å; E721-K753 WeakPolarHBondContact OE2-CD 3.41Å; E721-K753 VanDerWaalsContact OE2-CE 3.29Å; E721-K753 WeakPolarHBondContact OE2-CE 3.49Å; E721-K753 IonicContact OE2-NZ 3.97Å; E721-K753 PolarHBondContact OE2-NZ 3.48Å; E721-R754 WeakPolarHBondContact O-CB 3.35Å; E721-R754 PolarHBondContact O-N 3.08Å; E721-R754 WeakPolarHBondContact OE1-CD 3.26Å; E721-R754 IonicContact OE1-CZ 2.68Å; E721-R754 IonicContact OE1-NE 3Å; E721-R754 IonicContact OE1-NH1 3.25Å; E721-R754 PolarHBondContact OE1-NH1 3.26Å
722M90.8Very high88.9Confident16 Ų1626 Ų268%0.07914%0.139CC..EExtended strand (participates in β ladder)trans-126.1110.4-167.8-175.3168.8-77.300112.5L718 T719 R754 V756L718-M722 HydrophobicContact CD1-SD 4.3Å; L718-M722 PolarHBondContact N-O 3.2Å; L718-M722 VanDerWaalsContact N-O 3.1Å; T719-M722 PolarHBondContact O-N 3.17Å; T719-M722 WeakPolarHBondContact OG1-CB 3.47Å; M722-R754 HydrophobicContact CE-CB 4.24Å; M722-V756 HydrophobicContact CG-CG2 4.01Å; M722-V756 HydrophobicContact SD-CG2 4.42Å
723C93Very high89Confident0 Ų022.3 Ų22.30%012%0.123CC..EExtended strand (participates in β ladder)trans-111136.4177.4166.30000109.6Y752 R754 V756C723-Y752 HydrophobicContact CB-CD1 3.75Å; C723-Y752 HydrophobicContact CB-CD2 3.32Å; C723-Y752 HydrophobicContact CB-CE1 4.13Å; C723-Y752 HydrophobicContact CB-CE2 3.72Å; C723-Y752 HydrophobicContact CB-CG 3.33Å; C723-R754 PolarHBondContact N-O 2.85Å; C723-V756 WeakPolarHBondContact O-CB 3.37Å; C723-V756 PolarHBondContact O-N 3.35Å
724V94.9Very high88.8Confident1 Ų122.7 Ų22.71%0.00613%0.13CC..EExtended strand (participates in β ladder)trans-118.7128179.5-1700000109.7D715 Y716 L718 V756 L758 F813D715-V724 PolarHBondContact N-O 3.2Å; Y716-V724 PolarHBondContact N-O 2.91Å; Y716-V724 VanDerWaalsContact N-O 3.11Å; Y716-V724 PolarHBondContact O-N 3.4Å; L718-V724 HydrophobicContact CD1-CG2 3.79Å; L718-V724 HydrophobicContact CG-CG2 3.92Å; V724-V756 WeakPolarHBondContact CA-O 3.48Å; V724-V756 HydrophobicContact CB-CB 4.45Å; V724-V756 HydrophobicContact CG1-CB 4.4Å; V724-V756 HydrophobicContact CG1-CG1 4.26Å; V724-V756 HydrophobicContact CG2-CB 4.11Å; V724-V756 HydrophobicContact CG2-CG1 4.43Å; V724-L758 HydrophobicContact CG1-CB 3.63Å; V724-F813 HydrophobicContact CG1-CZ 4.4Å
725E94.6Very high88.8Confident6 Ų623 Ų233%0.02813%0.132CC..EExtended strand (participates in β ladder)trans-101.4128.4160172.4142175.600109.3D715 K727 Q744 M748 V756 L758D715-E725 WeakPolarHBondContact OD2-CA 3.49Å; D715-E725 WeakPolarHBondContact OD2-CG 3.41Å; E725-K727 VanDerWaalsContact CD-CE 3.48Å; E725-K727 HydrophobicContact CG-CG 4.32Å; E725-K727 WeakPolarHBondContact OE1-CE 3.26Å; E725-K727 IonicContact OE1-NZ 2.65Å; E725-K727 PolarHBondContact OE1-NZ 3.36Å; E725-Q744 VanDerWaalsContact CD-NE2 3.26Å; E725-Q744 PolarHBondContact OE1-NE2 3.43Å; E725-Q744 PolarHBondContact OE1-OE1 2.75Å; E725-Q744 VanDerWaalsContact OE1-OE1 3.09Å; E725-Q744 WeakPolarHBondContact OE2-CB 3.48Å; E725-Q744 PolarHBondContact OE2-NE2 3.25Å; E725-Q744 VanDerWaalsContact OE2-NE2 3.09Å; E725-M748 HydrophobicContact CB-CE 3.71Å; E725-M748 HydrophobicContact CB-SD 3.72Å; E725-V756 PolarHBondContact N-O 3.04Å; E725-L758 PolarHBondContact O-N 2.95Å
726R92Very high88.6Confident49 Ų4922.8 Ų22.819%0.18513%0.13CC..EExtended strand (participates in β ladder)trans-101.7127.2-176.9171.1173170.2-79.8-13.4110.2E690 S693 D715 Y716 L758 E760E690-R726 WeakPolarHBondContact OE1-CD 3.37Å; E690-R726 IonicContact OE1-CZ 2.79Å; E690-R726 IonicContact OE1-NE 2.74Å; E690-R726 IonicContact OE1-NH1 2.77Å; E690-R726 PolarHBondContact OE1-NH1 3.36Å; E690-R726 IonicContact OE2-NH1 2.7Å; E690-R726 PolarHBondContact OE2-NH1 2.83Å; S693-R726 VanDerWaalsContact CB-NH1 3.27Å; S693-R726 PolarHBondContact OG-NH1 2.92Å; D715-R726 PolarHBondContact OD2-N 3.43Å; Y716-R726 HydrophobicContact CD2-CB 4.48Å; Y716-R726 HydrophobicContact CE2-CB 4.12Å; R726-L758 HydrophobicContact CB-CD2 4.18Å; R726-L758 HydrophobicContact CG-CD2 4.02Å; R726-E760 HydrophobicContact CG-CG 4.14Å; R726-E760 IonicContact CZ-OE2 2.69Å; R726-E760 VanDerWaalsContact CZ-OE2 3.25Å; R726-E760 IonicContact NE-OE1 2.79Å; R726-E760 PolarHBondContact NE-OE1 2.9Å; R726-E760 IonicContact NE-OE2 3.72Å; R726-E760 PolarHBondContact NE-OE2 2.89Å; R726-E760 IonicContact NH2-OE2 3.66Å; R726-E760 PolarHBondContact NH2-OE2 3.26Å
727K90.1Very high88.1Confident9 Ų927 Ų274%0.03915%0.153CC..EExtended strand (participates in β ladder)trans-131.3132.1175.7-59.8-155.5178.8-157.60113.1E725 D731 L732 S735 L741 L757 L758 E760E725-K727 VanDerWaalsContact CD-CE 3.48Å; E725-K727 HydrophobicContact CG-CG 4.32Å; E725-K727 WeakPolarHBondContact OE1-CE 3.26Å; E725-K727 IonicContact OE1-NZ 2.65Å; E725-K727 PolarHBondContact OE1-NZ 3.36Å; K727-D731 HydrophobicContact CB-CB 4.47Å; K727-L732 HydrophobicContact CB-CB 4.36Å; K727-S735 PolarHBondContact NZ-OG 3.39Å; K727-S735 VanDerWaalsContact NZ-OG 3.14Å; K727-L741 HydrophobicContact CD-CD1 4.19Å; K727-L757 HydrophobicContact CD-CD1 4.3Å; K727-L757 HydrophobicContact CG-CD1 4.1Å; K727-L758 PolarHBondContact N-O 3.46Å; K727-E760 PolarHBondContact O-N 3.44Å
728S85.4Confident87.7Confident30 Ų3033.1 Ų33.121%0.2119%0.186CC..EExtended strand (participates in β ladder)trans-64.7158.8159.979.40000110.3S730 D731 L732S728-S730 PolarHBondContact O-N 3.09Å; S728-S730 PolarHBondContact OG-N 3.35Å; S728-S730 PolarHBondContact OG-OG 2.85Å; S728-D731 WeakPolarHBondContact CB-OD2 3.31Å; S728-D731 PolarHBondContact O-N 3.4Å; S728-D731 WeakPolarHBondContact OG-CB 3.43Å; S728-D731 VanDerWaalsContact OG-CG 3.23Å; S728-D731 PolarHBondContact OG-N 3.32Å; S728-D731 PolarHBondContact OG-OD2 3.47Å; S728-L732 WeakPolarHBondContact O-CB 3.47Å; S728-L732 PolarHBondContact O-N 3.04Å
729I82.9Confident87.3Confident37 Ų3735 Ų3519%0.1921%0.205CC..Hα-helixtrans-58.7-33.6175.9-169.456.7000113.2L732 I733 E760 F767 L769I729-L732 HydrophobicContact CD1-CD2 4.22Å; I729-I733 HydrophobicContact CG1-CD1 4.34Å; I729-I733 WeakPolarHBondContact O-CD1 3.02Å; I729-I733 VanDerWaalsContact O-CG1 3.26Å; I729-I733 WeakPolarHBondContact O-CG1 3.43Å; I729-I733 PolarHBondContact O-N 2.84Å; I729-E760 PolarHBondContact N-O 3.25Å; I729-F767 HydrophobicContact CD1-CD2 4.4Å; I729-F767 HydrophobicContact CD1-CE2 3.94Å; I729-L769 HydrophobicContact CD1-CD2 3.84Å
730S78.9Confident87.1Confident28 Ų2841.8 Ų41.820%0.19623%0.231CC..Hα-helixtrans-66.1-49.8173.323.30000112H275 S728 L732 I733 G734H275-S730 WeakPolarHBondContact CD2-CB 3.44Å; H275-S730 PolarHBondContact CE1-O 3.04Å; H275-S730 VanDerWaalsContact CE1-O 3.25Å; H275-S730 PolarHBondContact ND1-O 3.06Å; S728-S730 PolarHBondContact O-N 3.09Å; S728-S730 PolarHBondContact OG-N 3.35Å; S728-S730 PolarHBondContact OG-OG 2.85Å; S730-L732 VanDerWaalsContact C-N 3.31Å; S730-L732 PolarHBondContact O-N 3.32Å; S730-I733 PolarHBondContact O-N 3.14Å; S730-G734 PolarHBondContact O-N 3.43Å
731D84.6Confident87.2Confident99 Ų9938.6 Ų38.653%0.52921%0.21SC..Hα-helixtrans-67.6-32.5179.9-65-56000112.2K727 S728 S735K727-D731 HydrophobicContact CB-CB 4.47Å; S728-D731 WeakPolarHBondContact CB-OD2 3.31Å; S728-D731 PolarHBondContact O-N 3.4Å; S728-D731 WeakPolarHBondContact OG-CB 3.43Å; S728-D731 VanDerWaalsContact OG-CG 3.23Å; S728-D731 PolarHBondContact OG-N 3.32Å; S728-D731 PolarHBondContact OG-OD2 3.47Å; D731-S735 WeakPolarHBondContact O-CB 3.4Å; D731-S735 PolarHBondContact O-N 2.96Å; D731-S735 PolarHBondContact O-OG 3.49Å
732L86.9Confident87.3Confident0 Ų041.3 Ų41.30%022%0.219CC..Hα-helixtrans-60.3-54.2170.9179.563.9000110.4K727 S728 I729 S730 G734 S735 L736 L741 L757 I759K727-L732 HydrophobicContact CB-CB 4.36Å; S728-L732 WeakPolarHBondContact O-CB 3.47Å; S728-L732 PolarHBondContact O-N 3.04Å; I729-L732 HydrophobicContact CD1-CD2 4.22Å; S730-L732 VanDerWaalsContact C-N 3.31Å; S730-L732 PolarHBondContact O-N 3.32Å; L732-G734 VanDerWaalsContact C-N 3.34Å; L732-G734 PolarHBondContact O-N 3.32Å; L732-S735 PolarHBondContact O-N 3.13Å; L732-L736 WeakPolarHBondContact O-CB 3.4Å; L732-L736 PolarHBondContact O-N 3.48Å; L732-L741 HydrophobicContact CD1-CD2 3.73Å; L732-L757 HydrophobicContact CD1-CD2 4.42Å; L732-I759 HydrophobicContact CD2-CD1 3.75Å; L732-I759 HydrophobicContact CD2-CG1 4.14Å; L732-I759 HydrophobicContact CD2-CG2 3.92Å
733I83.7Confident87.2Confident28 Ų2843.6 Ų43.614%0.14424%0.237CC..Hα-helixtrans-61-43.1179.5-66.8166.4000111H275 I729 S730 N737 I784H275-I733 HydrophobicContact CB-CB 4.34Å; H275-I733 HydrophobicContact CB-CD1 3.95Å; H275-I733 HydrophobicContact CB-CG2 4.12Å; I729-I733 HydrophobicContact CG1-CD1 4.34Å; I729-I733 WeakPolarHBondContact O-CD1 3.02Å; I729-I733 VanDerWaalsContact O-CG1 3.26Å; I729-I733 WeakPolarHBondContact O-CG1 3.43Å; I729-I733 PolarHBondContact O-N 2.84Å; S730-I733 PolarHBondContact O-N 3.14Å; I733-N737 WeakPolarHBondContact O-CB 3.43Å; I733-N737 PolarHBondContact O-N 3.37Å; I733-N737 VanDerWaalsContact O-N 3.15Å; I733-N737 PolarHBondContact O-ND2 3.36Å; I733-I784 HydrophobicContact CG1-CD1 4.45Å; I733-I784 HydrophobicContact CG1-CG1 4.26Å; I733-I784 HydrophobicContact CG1-CG2 4.25Å; I733-I784 HydrophobicContact CG2-CD1 4Å; I733-I784 HydrophobicContact CG2-CG1 4.43Å
734G83.8Confident87.1Confident26 Ų2645.1 Ų45.127%0.26824%0.244SC..Hα-helixtrans-64.5-51.5177.900000113.1S730 L732 L736 N737 N738S730-G734 PolarHBondContact O-N 3.43Å; L732-G734 VanDerWaalsContact C-N 3.34Å; L732-G734 PolarHBondContact O-N 3.32Å; G734-L736 PolarHBondContact O-N 3.5Å; G734-N737 PolarHBondContact O-N 3.27Å; G734-N738 VanDerWaalsContact O-CB 3.3Å; G734-N738 WeakPolarHBondContact O-CB 3.42Å; G734-N738 PolarHBondContact O-N 3.08Å
735S86.4Confident86.9Confident13 Ų1345.1 Ų45.19%0.09124%0.244CC..Hα-helixtrans-75.8-21.2-17665.90000114.3K727 D731 L732 G739 R740 L741K727-S735 PolarHBondContact NZ-OG 3.39Å; K727-S735 VanDerWaalsContact NZ-OG 3.14Å; D731-S735 WeakPolarHBondContact O-CB 3.4Å; D731-S735 PolarHBondContact O-N 2.96Å; D731-S735 PolarHBondContact O-OG 3.49Å; L732-S735 PolarHBondContact O-N 3.13Å; S735-G739 CarbonylContact O-C 3.55Å; S735-G739 PolarHBondContact O-N 3.08Å; S735-R740 PolarHBondContact O-N 3.2Å; S735-R740 VanDerWaalsContact O-N 3.08Å; S735-L741 PolarHBondContact O-N 3.45Å; S735-L741 VanDerWaalsContact O-N 3.08Å
736L86.4Confident86.7Confident19 Ų1947.9 Ų47.910%0.09926%0.261CS..Hα-helixtrans-78.4-38.6171.1-167.270.9000111.6L732 G734 G739 L741 I784 K787 L791L732-L736 WeakPolarHBondContact O-CB 3.4Å; L732-L736 PolarHBondContact O-N 3.48Å; G734-L736 PolarHBondContact O-N 3.5Å; L736-G739 PolarHBondContact O-N 2.96Å; L736-L741 HydrophobicContact CD1-CD2 4.15Å; L736-I784 HydrophobicContact CD2-CD1 4.47Å; L736-I784 HydrophobicContact CD2-CG2 3.85Å; L736-K787 HydrophobicContact CD1-CB 4.02Å; L736-K787 HydrophobicContact CD2-CB 3.51Å; L736-K787 HydrophobicContact CD2-CD 4.47Å; L736-K787 HydrophobicContact CG-CB 3.67Å; L736-K787 HydrophobicContact CG-CD 4.31Å; L736-L791 HydrophobicContact CD1-CD1 4.03Å
737N83.9Confident86.5Confident88 Ų8847.8 Ų47.847%0.47127%0.268SS..Hα-helixtrans-71.6-33.6173.7-77.2-36.5000113.2I733 G734 G739 K787I733-N737 WeakPolarHBondContact O-CB 3.43Å; I733-N737 PolarHBondContact O-N 3.37Å; I733-N737 VanDerWaalsContact O-N 3.15Å; I733-N737 PolarHBondContact O-ND2 3.36Å; G734-N737 PolarHBondContact O-N 3.27Å; N737-G739 VanDerWaalsContact C-N 3.31Å; N737-K787 PolarHBondContact OD1-NZ 3.36Å
738N84.3Confident86.5Confident135 Ų13547.4 Ų47.472%0.72227%0.266SS*.THydrogen-bonded Turntrans-87.86.8176.1-164.427.7000113.3G734 R740G734-N738 VanDerWaalsContact O-CB 3.3Å; G734-N738 WeakPolarHBondContact O-CB 3.42Å; G734-N738 PolarHBondContact O-N 3.08Å; N738-R740 PolarHBondContact O-N 3.06Å
739G83.9Confident86.8Confident40 Ų4047.1 Ų47.141%0.41226%0.264SS..SBendtrans66.5-14.8-179.200000116.8S735 L736 N737 L741 Y742S735-G739 CarbonylContact O-C 3.55Å; S735-G739 PolarHBondContact O-N 3.08Å; L736-G739 PolarHBondContact O-N 2.96Å; N737-G739 VanDerWaalsContact C-N 3.31Å; G739-L741 VanDerWaalsContact C-N 3.25Å; G739-L741 PolarHBondContact O-N 2.94Å; G739-L741 VanDerWaalsContact O-N 3.12Å; G739-Y742 WeakPolarHBondContact O-CB 3.29Å; G739-Y742 PolarHBondContact O-N 2.88Å
740R86.4Confident87Confident142 Ų14254.3 Ų54.354%0.53629%0.289SS..Hα-helixtrans-47.9-43.3-177.7-177-171.1153.1169.7-2.2112.8S735 N738 Y742 S743 Q744S735-R740 PolarHBondContact O-N 3.2Å; S735-R740 VanDerWaalsContact O-N 3.08Å; N738-R740 PolarHBondContact O-N 3.06Å; R740-Y742 PolarHBondContact O-N 3.43Å; R740-S743 PolarHBondContact O-N 3.2Å; R740-S743 VanDerWaalsContact O-N 3.15Å; R740-S743 PolarHBondContact O-OG 3.41Å; R740-Q744 HydrophobicContact CG-CG 4.45Å; R740-Q744 PolarHBondContact O-N 3.02Å; R740-Q744 VanDerWaalsContact O-N 3.14Å
741L90.6Very high87.3Confident0 Ų055.6 Ų55.60%029%0.29CS..Hα-helixtrans-59.7-33.5-179.417760.3000112.9K727 L732 S735 L736 G739 Q744 C745 L757 L791K727-L741 HydrophobicContact CD-CD1 4.19Å; L732-L741 HydrophobicContact CD1-CD2 3.73Å; S735-L741 PolarHBondContact O-N 3.45Å; S735-L741 VanDerWaalsContact O-N 3.08Å; L736-L741 HydrophobicContact CD1-CD2 4.15Å; G739-L741 VanDerWaalsContact C-N 3.25Å; G739-L741 PolarHBondContact O-N 2.94Å; G739-L741 VanDerWaalsContact O-N 3.12Å; L741-Q744 PolarHBondContact O-N 3.46Å; L741-C745 WeakPolarHBondContact O-CB 3.43Å; L741-C745 PolarHBondContact O-N 3.09Å; L741-C745 PolarHBondContact O-SG 3.28Å; L741-L757 HydrophobicContact CD1-CD1 3.99Å; L741-L757 HydrophobicContact CD1-CD2 4.44Å; L741-L757 HydrophobicContact CD2-CD2 4.13Å; L741-L791 HydrophobicContact CD2-CD1 3.96Å; L741-L791 HydrophobicContact CG-CD1 3.83Å
742Y91Very high87.5Confident102 Ų10251.5 Ų51.540%0.427%0.267SS..Hα-helixtrans-64.6-46.1176.8179.6-90.6000111.1G739 R740 Q744 C745 V746 H794 F795G739-Y742 WeakPolarHBondContact O-CB 3.29Å; G739-Y742 PolarHBondContact O-N 2.88Å; R740-Y742 PolarHBondContact O-N 3.43Å; Y742-Q744 VanDerWaalsContact C-N 3.31Å; Y742-Q744 PolarHBondContact O-N 3.35Å; Y742-C745 PolarHBondContact O-N 3.01Å; Y742-C745 VanDerWaalsContact O-N 3.17Å; Y742-V746 HydrophobicContact CD1-CG2 4.17Å; Y742-V746 HydrophobicContact CE1-CG2 3.84Å; Y742-V746 WeakPolarHBondContact O-CG2 3.21Å; Y742-V746 PolarHBondContact O-N 3.23Å; Y742-H794 AromaticContact CE2-CE1 3.9Å; Y742-H794 AromaticContact CE2-CG 3.88Å; Y742-H794 AromaticContact CE2-ND1 3.66Å; Y742-H794 AromaticContact CZ-CE1 3.77Å; Y742-H794 PolarHBondContact OH-CE1 3.4Å; Y742-H794 PolarHBondContact OH-NE2 2.73Å; Y742-F795 AromaticContact CD2-CE2 3.62Å; Y742-F795 HydrophobicContact CD2-CE2 3.62Å; Y742-F795 AromaticContact CD2-CZ 3.93Å; Y742-F795 HydrophobicContact CD2-CZ 3.93Å; Y742-F795 AromaticContact CE2-CE2 3.69Å; Y742-F795 HydrophobicContact CE2-CE2 3.69Å; Y742-F795 AromaticContact CE2-CZ 3.69Å; Y742-F795 HydrophobicContact CE2-CZ 3.69Å; Y742-F795 HydrophobicContact CG-CE2 4.4Å
743S88.4Confident87.7Confident64 Ų6457.7 Ų57.745%0.44829%0.294SS..Hα-helixtrans-63.8-34.4177.5630000113.4R740 V746 S747R740-S743 PolarHBondContact O-N 3.2Å; R740-S743 VanDerWaalsContact O-N 3.15Å; R740-S743 PolarHBondContact O-OG 3.41Å; S743-V746 PolarHBondContact O-N 2.84Å; S743-S747 PolarHBondContact O-N 3.01Å; S743-S747 VanDerWaalsContact O-N 3.16Å; S743-S747 PolarHBondContact O-OG 2.9Å
744Q90.2Very high88.1Confident31 Ų3162 Ų6215%0.14531%0.309CS..Hα-helixtrans-67.5-42.3173.2-66.6175.7-76.600111.1E725 R740 L741 Y742 V746 S747 M748E725-Q744 VanDerWaalsContact CD-NE2 3.26Å; E725-Q744 PolarHBondContact OE1-NE2 3.43Å; E725-Q744 PolarHBondContact OE1-OE1 2.75Å; E725-Q744 VanDerWaalsContact OE1-OE1 3.09Å; E725-Q744 WeakPolarHBondContact OE2-CB 3.48Å; E725-Q744 PolarHBondContact OE2-NE2 3.25Å; E725-Q744 VanDerWaalsContact OE2-NE2 3.09Å; R740-Q744 HydrophobicContact CG-CG 4.45Å; R740-Q744 PolarHBondContact O-N 3.02Å; R740-Q744 VanDerWaalsContact O-N 3.14Å; L741-Q744 PolarHBondContact O-N 3.46Å; Y742-Q744 VanDerWaalsContact C-N 3.31Å; Y742-Q744 PolarHBondContact O-N 3.35Å; Q744-V746 PolarHBondContact O-N 3.16Å; Q744-S747 PolarHBondContact O-N 3.18Å; Q744-M748 WeakPolarHBondContact O-CG 3.36Å; Q744-M748 PolarHBondContact O-N 3.14Å
745C90.7Very high88.6Confident2 Ų260.9 Ų60.91%0.01430%0.297CS..Hα-helixtrans-65.8-34.4175.3-68.40000113.6L741 Y742 S749 F795L741-C745 WeakPolarHBondContact O-CB 3.43Å; L741-C745 PolarHBondContact O-N 3.09Å; L741-C745 PolarHBondContact O-SG 3.28Å; Y742-C745 PolarHBondContact O-N 3.01Å; Y742-C745 VanDerWaalsContact O-N 3.17Å; C745-S749 WeakPolarHBondContact O-CB 3.41Å; C745-S749 PolarHBondContact O-N 3.37Å; C745-F795 HydrophobicContact CB-CD2 3.78Å; C745-F795 HydrophobicContact CB-CE1 4.46Å; C745-F795 HydrophobicContact CB-CE2 3.55Å; C745-F795 HydrophobicContact CB-CG 4.34Å; C745-F795 HydrophobicContact CB-CZ 3.93Å
746V90.4Very high89Confident63 Ų6360.4 Ų60.438%0.38229%0.293SS..Hα-helixtrans-58.7-50169.6173.70000110.1Y742 S743 Q744 S749 R750 F795Y742-V746 HydrophobicContact CD1-CG2 4.17Å; Y742-V746 HydrophobicContact CE1-CG2 3.84Å; Y742-V746 WeakPolarHBondContact O-CG2 3.21Å; Y742-V746 PolarHBondContact O-N 3.23Å; S743-V746 PolarHBondContact O-N 2.84Å; Q744-V746 PolarHBondContact O-N 3.16Å; V746-S749 PolarHBondContact O-N 3.44Å; V746-R750 WeakPolarHBondContact O-CB 3.46Å; V746-R750 PolarHBondContact O-N 3.44Å; V746-F795 HydrophobicContact CG2-CE1 4Å; V746-F795 HydrophobicContact CG2-CZ 3.67Å
747S88.6Confident89.4Confident47 Ų4759.5 Ų59.533%0.32929%0.289SS..Hα-helixtrans-65.2-48.7-177.5-54.20000112S743 Q744 S749 R750 Y751S743-S747 PolarHBondContact O-N 3.01Å; S743-S747 VanDerWaalsContact O-N 3.16Å; S743-S747 PolarHBondContact O-OG 2.9Å; Q744-S747 PolarHBondContact O-N 3.18Å; S747-S749 VanDerWaalsContact C-N 3.34Å; S747-S749 PolarHBondContact O-N 2.86Å; S747-R750 WeakPolarHBondContact O-CB 3.46Å; S747-R750 PolarHBondContact O-N 3.29Å; S747-R750 VanDerWaalsContact O-N 3.11Å; S747-Y751 VanDerWaalsContact O-CD2 3.29Å; S747-Y751 WeakPolarHBondContact O-CD2 3.37Å; S747-Y751 PolarHBondContact O-N 3.17Å
748M90.1Very high89.9Confident1 Ų155.3 Ų55.31%0.00527%0.266CS..Hα-helixtrans-59-42.4176.1-72.7-167.8-77.800112.3V713 E725 Q744 R750 Y752 P755V713-M748 HydrophobicContact CG1-CB 4.27Å; V713-M748 HydrophobicContact CG1-CG 3.75Å; E725-M748 HydrophobicContact CB-CE 3.71Å; E725-M748 HydrophobicContact CB-SD 3.72Å; Q744-M748 WeakPolarHBondContact O-CG 3.36Å; Q744-M748 PolarHBondContact O-N 3.14Å; M748-R750 VanDerWaalsContact C-N 3.32Å; M748-R750 PolarHBondContact O-N 3.05Å; M748-Y752 WeakPolarHBondContact O-CA 3.38Å; M748-Y752 WeakPolarHBondContact O-CB 3.48Å; M748-Y752 PolarHBondContact O-N 3.22Å; M748-P755 HydrophobicContact CB-CB 3.81Å
749S90.2Very high90.2Very high25 Ų2548.9 Ų48.918%0.17523%0.232CC..Hα-helixtrans-69.8-27.3177.2-171.90000112.6C745 V746 S747 R797C745-S749 WeakPolarHBondContact O-CB 3.41Å; C745-S749 PolarHBondContact O-N 3.37Å; V746-S749 PolarHBondContact O-N 3.44Å; S747-S749 VanDerWaalsContact C-N 3.34Å; S747-S749 PolarHBondContact O-N 2.86Å; S749-R797 PolarHBondContact O-NH2 3.46Å; S749-R797 PolarHBondContact OG-NH2 3.43Å
750R88.4Confident90.3Very high188 Ų18847.7 Ų47.771%0.70922%0.216SC*.Hα-helixtrans-68.8-48.2176.1-177.7179.6175.8-164.8-6.6111.8V746 S747 M748V746-R750 WeakPolarHBondContact O-CB 3.46Å; V746-R750 PolarHBondContact O-N 3.44Å; S747-R750 WeakPolarHBondContact O-CB 3.46Å; S747-R750 PolarHBondContact O-N 3.29Å; S747-R750 VanDerWaalsContact O-N 3.11Å; M748-R750 VanDerWaalsContact C-N 3.32Å; M748-R750 PolarHBondContact O-N 3.05Å
751Y85.6Confident90.1Very high54 Ų5443.9 Ų43.921%0.21220%0.203CC..Hα-helixtrans-92.7-34.8-172.4-61.3-67.8000113.7V713 S747 I831 S835V713-Y751 HydrophobicContact CG1-CD2 4.44Å; V713-Y751 HydrophobicContact CG2-CD2 4Å; V713-Y751 HydrophobicContact CG2-CE2 4.18Å; S747-Y751 VanDerWaalsContact O-CD2 3.29Å; S747-Y751 WeakPolarHBondContact O-CD2 3.37Å; S747-Y751 PolarHBondContact O-N 3.17Å; Y751-I831 HydrophobicContact CD1-CG2 3.78Å; Y751-I831 HydrophobicContact CD2-CG2 4.21Å; Y751-I831 HydrophobicContact CE1-CG2 4.29Å; Y751-I831 HydrophobicContact CG-CG2 3.73Å; Y751-S835 PolarHBondContact OH-OG 2.61Å; Y751-S835 VanDerWaalsContact OH-OG 3.07Å
752Y88.6Confident89.1Confident13 Ų1346.5 Ų46.55%0.05122%0.217CC..  trans-108.5141.2-176.4-62.7-81.5000113.5V713 I717 C723 M748V713-Y752 HydrophobicContact CB-CE2 4.49Å; V713-Y752 HydrophobicContact CG1-CD2 4.35Å; V713-Y752 HydrophobicContact CG1-CE2 4.16Å; I717-Y752 VanDerWaalsContact CD1-OH 3.23Å; I717-Y752 WeakPolarHBondContact CD1-OH 3.28Å; I717-Y752 HydrophobicContact CG2-CE1 4.4Å; C723-Y752 HydrophobicContact CB-CD1 3.75Å; C723-Y752 HydrophobicContact CB-CD2 3.32Å; C723-Y752 HydrophobicContact CB-CE1 4.13Å; C723-Y752 HydrophobicContact CB-CE2 3.72Å; C723-Y752 HydrophobicContact CB-CG 3.33Å; M748-Y752 WeakPolarHBondContact O-CA 3.38Å; M748-Y752 WeakPolarHBondContact O-CB 3.48Å; M748-Y752 PolarHBondContact O-N 3.22Å
753K90.6Very high88.1Confident130 Ų13046.6 Ų46.657%0.56523%0.23SC*.SBendtrans-73.2-33.9-178.1176.8-177.5167.5-1570112.7E721E721-K753 HydrophobicContact CB-CB 4.16Å; E721-K753 HydrophobicContact CB-CD 4.14Å; E721-K753 WeakPolarHBondContact OE2-CD 3.41Å; E721-K753 VanDerWaalsContact OE2-CE 3.29Å; E721-K753 WeakPolarHBondContact OE2-CE 3.49Å; E721-K753 IonicContact OE2-NZ 3.97Å; E721-K753 PolarHBondContact OE2-NZ 3.48Å
754R90.9Very high87Confident119 Ų11948.1 Ų48.145%0.44924%0.24SC..EExtended strand (participates in β ladder)trans-127.379.7178.1-69177.8165.3170.1-10.9110.2E721 M722 C723E721-R754 WeakPolarHBondContact O-CB 3.35Å; E721-R754 PolarHBondContact O-N 3.08Å; E721-R754 WeakPolarHBondContact OE1-CD 3.26Å; E721-R754 IonicContact OE1-CZ 2.68Å; E721-R754 IonicContact OE1-NE 3Å; E721-R754 IonicContact OE1-NH1 3.25Å; E721-R754 PolarHBondContact OE1-NH1 3.26Å; M722-R754 HydrophobicContact CE-CB 4.24Å; C723-R754 PolarHBondContact N-O 2.85Å
755P94.4Very high85.7Confident2 Ų249.6 Ų49.61%0.01325%0.247CC..EExtended strand (participates in β ladder)trans-72.7137.1173.730.9-34000110.7M748 L798 R799M748-P755 HydrophobicContact CB-CB 3.81Å; P755-L798 HydrophobicContact CB-CD1 4.11Å; P755-L798 HydrophobicContact CG-CD1 4.35Å; P755-L798 WeakPolarHBondContact O-CA 3.44Å; P755-R799 PolarHBondContact O-N 3.31Å
756V94.8Very high84.3Confident4 Ų452.8 Ų52.82%0.02427%0.267CS..EExtended strand (participates in β ladder)trans-126.4133.4-176.8-176.40000109.8M722 C723 V724 E725 R799 L801M722-V756 HydrophobicContact CG-CG2 4.01Å; M722-V756 HydrophobicContact SD-CG2 4.42Å; C723-V756 WeakPolarHBondContact O-CB 3.37Å; C723-V756 PolarHBondContact O-N 3.35Å; V724-V756 WeakPolarHBondContact CA-O 3.48Å; V724-V756 HydrophobicContact CB-CB 4.45Å; V724-V756 HydrophobicContact CG1-CB 4.4Å; V724-V756 HydrophobicContact CG1-CG1 4.26Å; V724-V756 HydrophobicContact CG2-CB 4.11Å; V724-V756 HydrophobicContact CG2-CG1 4.43Å; E725-V756 PolarHBondContact N-O 3.04Å; V756-R799 CarbonylContact C-O 3.5Å; V756-R799 WeakPolarHBondContact CA-O 3.19Å; V756-L801 HydrophobicContact CG1-CB 4.49Å; V756-L801 HydrophobicContact CG1-CD1 3.58Å; V756-L801 HydrophobicContact CG1-CG 3.77Å
757L94.8Very high82.9Confident0 Ų053.9 Ų53.90%027%0.267CS..EExtended strand (participates in β ladder)trans-105.3111.3167.2177.963.8000108.1K727 L732 L741 I759 L798 R799 I800 L801K727-L757 HydrophobicContact CD-CD1 4.3Å; K727-L757 HydrophobicContact CG-CD1 4.1Å; L732-L757 HydrophobicContact CD1-CD2 4.42Å; L741-L757 HydrophobicContact CD1-CD1 3.99Å; L741-L757 HydrophobicContact CD1-CD2 4.44Å; L741-L757 HydrophobicContact CD2-CD2 4.13Å; L757-I759 HydrophobicContact CD2-CD1 4.28Å; L757-I759 HydrophobicContact CD2-CG1 4.32Å; L757-I759 HydrophobicContact CG-CG1 4.1Å; L757-L798 HydrophobicContact CB-CD1 4.34Å; L757-R799 PolarHBondContact N-O 2.86Å; L757-I800 WeakPolarHBondContact O-CA 3.46Å; L757-L801 PolarHBondContact O-N 3.22Å
758L94.6Very high81.8Confident0 Ų053.7 Ų53.70%027%0.265CS..EExtended strand (participates in β ladder)trans-90.2120.9172.4178.878.9000109V724 E725 R726 K727 E760 L801 C803 T809 F813V724-L758 HydrophobicContact CG1-CB 3.63Å; E725-L758 PolarHBondContact O-N 2.95Å; R726-L758 HydrophobicContact CB-CD2 4.18Å; R726-L758 HydrophobicContact CG-CD2 4.02Å; K727-L758 PolarHBondContact N-O 3.46Å; L758-E760 HydrophobicContact CD2-CG 4.27Å; L758-E760 HydrophobicContact CG-CG 4.45Å; L758-L801 HydrophobicContact CD1-CB 3.88Å; L758-C803 HydrophobicContact CD1-CB 4.17Å; L758-C803 VanDerWaalsContact CD1-SG 3.59Å; L758-T809 HydrophobicContact CD1-CG2 4.32Å; L758-T809 HydrophobicContact CD2-CG2 3.35Å; L758-T809 HydrophobicContact CG-CG2 4.44Å; L758-F813 HydrophobicContact CD2-CE1 4.23Å; L758-F813 HydrophobicContact CD2-CZ 4.18Å
759I91.2Very high80.7Confident0 Ų055.6 Ų55.60%028%0.276CS..EExtended strand (participates in β ladder)trans-107116.6175.7-56.9171.4000108.2L732 L757 I800 L801 W802 C803L732-I759 HydrophobicContact CD2-CD1 3.75Å; L732-I759 HydrophobicContact CD2-CG1 4.14Å; L732-I759 HydrophobicContact CD2-CG2 3.92Å; L757-I759 HydrophobicContact CD2-CD1 4.28Å; L757-I759 HydrophobicContact CD2-CG1 4.32Å; L757-I759 HydrophobicContact CG-CG1 4.1Å; I759-I800 HydrophobicContact CD1-CG2 3.54Å; I759-I800 HydrophobicContact CG1-CG2 4.18Å; I759-L801 PolarHBondContact N-O 3.38Å; I759-W802 HydrophobicContact CB-CD2 4.45Å; I759-W802 HydrophobicContact CB-CE3 3.89Å; I759-W802 HydrophobicContact CB-CZ3 4.04Å; I759-W802 HydrophobicContact CD1-CD2 4.36Å; I759-W802 HydrophobicContact CD1-CE3 4.1Å; I759-W802 HydrophobicContact CD1-CH2 3.49Å; I759-W802 VanDerWaalsContact CD1-CH2 3.49Å; I759-W802 HydrophobicContact CD1-CZ2 3.78Å; I759-W802 HydrophobicContact CD1-CZ3 3.66Å; I759-W802 HydrophobicContact CG1-CZ3 4.46Å; I759-W802 HydrophobicContact CG2-CE3 3.83Å; I759-W802 HydrophobicContact CG2-CZ3 3.66Å; I759-C803 PolarHBondContact O-N 2.9Å; I759-C803 PolarHBondContact O-SG 3.36Å
760E85.1Confident79.5Confident15 Ų1556.7 Ų56.77%0.0728%0.281CS..EExtended strand (participates in β ladder)trans-95132.1175-45.2-149.1143.100110.5R726 K727 I729 L758 C803 T809R726-E760 HydrophobicContact CG-CG 4.14Å; R726-E760 IonicContact CZ-OE2 2.69Å; R726-E760 VanDerWaalsContact CZ-OE2 3.25Å; R726-E760 IonicContact NE-OE1 2.79Å; R726-E760 PolarHBondContact NE-OE1 2.9Å; R726-E760 IonicContact NE-OE2 3.72Å; R726-E760 PolarHBondContact NE-OE2 2.89Å; R726-E760 IonicContact NH2-OE2 3.66Å; R726-E760 PolarHBondContact NH2-OE2 3.26Å; K727-E760 PolarHBondContact O-N 3.44Å; I729-E760 PolarHBondContact N-O 3.25Å; L758-E760 HydrophobicContact CD2-CG 4.27Å; L758-E760 HydrophobicContact CG-CG 4.45Å; E760-C803 VanDerWaalsContact CG-SG 3.55Å; E760-T809 PolarHBondContact OE1-OG1 3.27Å
761F82.2Confident78.1Confident62 Ų6250.9 Ų50.927%0.27227%0.274SS..  trans-127.6169.3169.364-86.6000110.5F767 W802 C803 P804F761-F767 HydrophobicContact CB-CD2 4.25Å; F761-W802 HydrophobicContact CE1-CB 4.25Å; F761-C803 WeakPolarHBondContact CD1-O 3.45Å; F761-C803 WeakPolarHBondContact CE1-O 3.3Å; F761-C803 PolarHBondContact N-O 3.11Å; F761-C803 VanDerWaalsContact N-O 3.14Å; F761-P804 HydrophobicContact CE2-CB 3.8Å; F761-P804 HydrophobicContact CZ-CB 3.76Å; F761-P804 CarbonylContact O-C 3.41Å; F761-P804 VanDerWaalsContact O-C 3.29Å; F761-P804 VanDerWaalsContact O-O 3.12Å
762D71.1Confident76.5Confident54 Ų5457.9 Ų57.929%0.28930%0.299SS..  trans-117.8127.5-175.6173.5-17.5000108.4S764 K765D762-S764 VanDerWaalsContact C-N 3.26Å; D762-S764 PolarHBondContact O-N 3.13Å; D762-S764 VanDerWaalsContact OD1-CB 3.31Å; D762-S764 WeakPolarHBondContact OD1-CB 3.4Å; D762-S764 PolarHBondContact OD1-N 3.47Å; D762-S764 PolarHBondContact OD1-OG 3.02Å; D762-S764 PolarHBondContact OD2-OG 3.01Å; D762-K765 HydrophobicContact CB-CB 4.28Å; D762-K765 HydrophobicContact CB-CD 4.09Å; D762-K765 HydrophobicContact CB-CG 4.06Å; D762-K765 PolarHBondContact O-N 3.34Å; D762-K765 VanDerWaalsContact O-N 3.08Å; D762-K765 VanDerWaalsContact O-O 3.13Å; D762-K765 IonicContact OD2-NZ 3.98Å; D762-K765 PolarHBondContact OD2-NZ 3.29Å
763P69.1Low74.9Confident105 Ų10561.2 Ų61.268%0.68234%0.338SS*.THydrogen-bonded Turntrans-73.4-18-173.832.3-36000112.7P804P763-P804 VanDerWaalsContact CD-O 3.32Å; P763-P804 WeakPolarHBondContact CD-O 3.39Å
764S65.7Low73.1Confident95 Ų9556.3 Ų56.366%0.66432%0.322SS*.THydrogen-bonded Turntrans-73.4-19.9171.172.70000112.3D762D762-S764 VanDerWaalsContact C-N 3.26Å; D762-S764 PolarHBondContact O-N 3.13Å; D762-S764 VanDerWaalsContact OD1-CB 3.31Å; D762-S764 WeakPolarHBondContact OD1-CB 3.4Å; D762-S764 PolarHBondContact OD1-N 3.47Å; D762-S764 PolarHBondContact OD1-OG 3.02Å; D762-S764 PolarHBondContact OD2-OG 3.01Å
765K63.7Low71.3Confident63 Ų6358.1 Ų58.127%0.27434%0.339SS..SBendtrans-98.8131.8-177.7-63.1-173.3174.479.10110.5L273 D762 F767L273-K765 HydrophobicContact CD2-CD 4.07Å; L273-K765 HydrophobicContact CD2-CG 4.42Å; D762-K765 HydrophobicContact CB-CB 4.28Å; D762-K765 HydrophobicContact CB-CD 4.09Å; D762-K765 HydrophobicContact CB-CG 4.06Å; D762-K765 PolarHBondContact O-N 3.34Å; D762-K765 VanDerWaalsContact O-N 3.08Å; D762-K765 VanDerWaalsContact O-O 3.13Å; D762-K765 IonicContact OD2-NZ 3.98Å; D762-K765 PolarHBondContact OD2-NZ 3.29Å; K765-F767 PolarHBondContact O-N 2.94Å
766P60.3Low69.4Low68 Ų6865.2 Ų65.244%0.44237%0.37SS..  trans-66.8102.817626.9-33.3000110.4Q276 S768Q276-P766 PolarHBondContact NE2-O 2.82Å; P766-S768 PolarHBondContact O-N 2.81Å
767F61.7Low67.6Low86 Ų8675.1 Ų75.138%0.37742%0.416SS..  trans-66.2119174.2177.3-101000110.7I729 F761 K765 L769 W802I729-F767 HydrophobicContact CD1-CD2 4.4Å; I729-F767 HydrophobicContact CD1-CE2 3.94Å; F761-F767 HydrophobicContact CB-CD2 4.25Å; K765-F767 PolarHBondContact O-N 2.94Å; F767-L769 HydrophobicContact CE1-CG 4.35Å; F767-L769 HydrophobicContact CE2-CD2 4.13Å; F767-L769 HydrophobicContact CE2-CG 4.12Å; F767-L769 HydrophobicContact CZ-CD1 3.87Å; F767-L769 HydrophobicContact CZ-CD2 4.13Å; F767-L769 HydrophobicContact CZ-CG 3.68Å; F767-W802 AromaticContact CE2-CZ3 3.91Å; F767-W802 HydrophobicContact CE2-CZ3 3.91Å; F767-W802 HydrophobicContact CZ-CE3 4.24Å; F767-W802 HydrophobicContact CZ-CH2 4.19Å; F767-W802 AromaticContact CZ-CZ3 3.58Å; F767-W802 HydrophobicContact CZ-CZ3 3.58Å
768S64.5Low65.8Low43 Ų4382.9 Ų82.930%0.30145%0.453SS..  trans-154.9112.6168.560.60000110.6P766 T770P766-S768 PolarHBondContact O-N 2.81Å; S768-T770 WeakPolarHBondContact CB-O 3.32Å; S768-T770 PolarHBondContact O-N 2.54Å; S768-T770 PolarHBondContact OG-O 2.93Å
769L68.4Low64.3Low42 Ų4290.1 Ų90.122%0.2249%0.49CS..SBendtrans-70.3-15.8174.4-64.2170.3000113.1I729 F767 I784 W802I729-L769 HydrophobicContact CD1-CD2 3.84Å; F767-L769 HydrophobicContact CE1-CG 4.35Å; F767-L769 HydrophobicContact CE2-CD2 4.13Å; F767-L769 HydrophobicContact CE2-CG 4.12Å; F767-L769 HydrophobicContact CZ-CD1 3.87Å; F767-L769 HydrophobicContact CZ-CD2 4.13Å; F767-L769 HydrophobicContact CZ-CG 3.68Å; L769-I784 HydrophobicContact CD2-CG2 3.99Å; L769-W802 HydrophobicContact CD1-CH2 4.11Å
770T63.8Low63.3Low48 Ų4892.4 Ų92.429%0.29451%0.506SS..SBendtrans-118.2135.5175.8-50.70000108.1S768S768-T770 WeakPolarHBondContact CB-O 3.32Å; S768-T770 PolarHBondContact O-N 2.54Å; S768-T770 PolarHBondContact OG-O 2.93Å
771A58.6Low62.3Low66 Ų6696.5 Ų96.555%0.54554%0.536SS..  trans-66137.1177.900000110.6G773 A774A771-G773 PolarHBondContact O-N 3.01Å; A771-A774 HydrophobicContact CB-CB 3.95Å; A771-A774 PolarHBondContact O-N 3.07Å
772R53Low61.9Low200 Ų20099 Ų9976%0.75555%0.553SS**THydrogen-bonded Turntrans-65.3-7.6-170.6-68.9-175.7176.3-171.7-3.5115.9
773G54.1Low62.3Low84 Ų8498.7 Ų98.787%0.86655%0.55SS**THydrogen-bonded Turntrans-110.36170.300000114.5A771A771-G773 PolarHBondContact O-N 3.01Å
774A53.2Low62.9Low26 Ų2694.6 Ų94.622%0.21552%0.523CS..  trans-116.733.4-171.900000112.8A771 F776A771-A774 HydrophobicContact CB-CB 3.95Å; A771-A774 PolarHBondContact O-N 3.07Å; A774-F776 HydrophobicContact CB-CD2 4.17Å; A774-F776 HydrophobicContact CB-CE2 3.81Å; A774-F776 WeakPolarHBondContact O-CD2 3.43Å; A774-F776 PolarHBondContact O-N 3.41Å
775L52.3Low63.8Low157 Ų15791.9 Ų91.982%0.82250%0.504SS*.  trans-74.470.9160.2-72.8171.9000108.7
776F55.5Low64.9Low151 Ų15189.8 Ų89.866%0.66250%0.497SS*.  trans-61.1152.9167.7-65.5-75000109.7A774 E778A774-F776 HydrophobicContact CB-CD2 4.17Å; A774-F776 HydrophobicContact CB-CE2 3.81Å; A774-F776 WeakPolarHBondContact O-CD2 3.43Å; A774-F776 PolarHBondContact O-N 3.41Å; F776-E778 PolarHBondContact O-N 3.44Å
777Q56.3Low66.2Low212 Ų21288.3 Ų88.399%0.99148%0.484SS*.SBendtrans-67.3-13.1175.5-69.4177.5-42.600112.8
778E57.4Low67.5Low164 Ų16484.9 Ų84.977%0.76647%0.469SS*.SBendtrans-116.6134.4178.3-60.7-178.1163.600110F776 S780F776-E778 PolarHBondContact O-N 3.44Å; E778-S780 PolarHBondContact O-N 3.3Å
779I64.1Low68.6Low151 Ų15187.3 Ų87.377%0.77448%0.482SS*.  trans-75.6113.7175.1-62.7170.5000108.1S786I779-S786 VanDerWaalsContact CG2-OG 3.27Å; I779-S786 WeakPolarHBondContact CG2-OG 3.38Å
780S68.7Low69.7Low49 Ų4990.6 Ų90.634%0.34350%0.499SS..  trans-77.8133.4-178.8-175.30000111E778 N782 D783 S786E778-S780 PolarHBondContact O-N 3.3Å; S780-N782 PolarHBondContact O-N 3.46Å; S780-N782 VanDerWaalsContact O-N 3.14Å; S780-N782 PolarHBondContact OG-N 2.88Å; S780-D783 VanDerWaalsContact CB-OD2 3.3Å; S780-D783 WeakPolarHBondContact CB-OD2 3.35Å; S780-D783 PolarHBondContact N-OD2 3.47Å; S780-D783 WeakPolarHBondContact O-CB 3.37Å; S780-D783 PolarHBondContact O-N 3.06Å; S780-S786 VanDerWaalsContact O-CB 3.22Å; S780-S786 WeakPolarHBondContact O-CB 3.43Å; S780-S786 PolarHBondContact O-OG 3.43Å
781S65.3Low71Confident101 Ų10188.6 Ų88.671%0.70649%0.487SS*.THydrogen-bonded Turntrans-60.4-20.5170.5-177.20000112.4D783S781-D783 VanDerWaalsContact C-N 3.34Å
782N74.3Confident72.5Confident115 Ų11588.1 Ų88.162%0.61548%0.478SS*.THydrogen-bonded Turntrans-80.8-12.3177.4-156.321.6000113.6S780 K787S780-N782 PolarHBondContact O-N 3.46Å; S780-N782 VanDerWaalsContact O-N 3.14Å; S780-N782 PolarHBondContact OG-N 2.88Å; N782-K787 WeakPolarHBondContact O-CE 3.3Å; N782-K787 PolarHBondContact O-NZ 3.04Å; N782-K787 PolarHBondContact OD1-NZ 3.41Å
783D79Confident74.4Confident46 Ų4685.3 Ų85.325%0.24648%0.477CS..SBendtrans-70.3149.1-177.9-64.5-33.3000112.5S780 S781 S785 S786 K787S780-D783 VanDerWaalsContact CB-OD2 3.3Å; S780-D783 WeakPolarHBondContact CB-OD2 3.35Å; S780-D783 PolarHBondContact N-OD2 3.47Å; S780-D783 WeakPolarHBondContact O-CB 3.37Å; S780-D783 PolarHBondContact O-N 3.06Å; S781-D783 VanDerWaalsContact C-N 3.34Å; D783-S785 VanDerWaalsContact C-N 3.3Å; D783-S785 PolarHBondContact O-N 3.26Å; D783-S786 PolarHBondContact O-N 3.01Å; D783-K787 WeakPolarHBondContact O-CG 3.41Å; D783-K787 PolarHBondContact O-N 3.49Å
784I81.1Confident76.2Confident19 Ų1986 Ų8610%0.09746%0.457CS..Hα-helixtrans-65.5-35.4-178.5-56.2-56.8000111.2I733 L736 L769 L788I733-I784 HydrophobicContact CG1-CD1 4.45Å; I733-I784 HydrophobicContact CG1-CG1 4.26Å; I733-I784 HydrophobicContact CG1-CG2 4.25Å; I733-I784 HydrophobicContact CG2-CD1 4Å; I733-I784 HydrophobicContact CG2-CG1 4.43Å; L736-I784 HydrophobicContact CD2-CD1 4.47Å; L736-I784 HydrophobicContact CD2-CG2 3.85Å; L769-I784 HydrophobicContact CD2-CG2 3.99Å; I784-L788 VanDerWaalsContact O-CB 3.27Å; I784-L788 WeakPolarHBondContact O-CB 3.43Å; I784-L788 PolarHBondContact O-N 3.26Å
785S84.4Confident78.2Confident38 Ų3885.4 Ų85.427%0.26645%0.45SS..Hα-helixtrans-58.6-52.7170.745.40000111.8D783 K787 L788 T789D783-S785 VanDerWaalsContact C-N 3.3Å; D783-S785 PolarHBondContact O-N 3.26Å; S785-K787 VanDerWaalsContact C-N 3.34Å; S785-K787 PolarHBondContact O-N 3.04Å; S785-L788 PolarHBondContact O-N 2.78Å; S785-T789 PolarHBondContact O-N 3.1Å; S785-T789 PolarHBondContact O-OG1 2.82Å
786S86.8Confident80Confident19 Ų1982.7 Ų82.713%0.13344%0.442CS..Hα-helixtrans-60.7-39.5-179.9-53.40000112.9I779 S780 D783 T789 L790I779-S786 VanDerWaalsContact CG2-OG 3.27Å; I779-S786 WeakPolarHBondContact CG2-OG 3.38Å; S780-S786 VanDerWaalsContact O-CB 3.22Å; S780-S786 WeakPolarHBondContact O-CB 3.43Å; S780-S786 PolarHBondContact O-OG 3.43Å; D783-S786 PolarHBondContact O-N 3.01Å; S786-T789 PolarHBondContact O-OG1 3.34Å; S786-L790 VanDerWaalsContact O-CB 3.29Å; S786-L790 WeakPolarHBondContact O-CB 3.32Å; S786-L790 PolarHBondContact O-N 2.95Å; S786-L790 VanDerWaalsContact O-N 3.09Å
787K87.3Confident81.7Confident38 Ų3881 Ų8117%0.16543%0.431CS..Hα-helixtrans-70.8-35.9176-70.9168178.9158.50112.2L736 N737 N782 D783 S785 L791L736-K787 HydrophobicContact CD1-CB 4.02Å; L736-K787 HydrophobicContact CD2-CB 3.51Å; L736-K787 HydrophobicContact CD2-CD 4.47Å; L736-K787 HydrophobicContact CG-CB 3.67Å; L736-K787 HydrophobicContact CG-CD 4.31Å; N737-K787 PolarHBondContact OD1-NZ 3.36Å; N782-K787 WeakPolarHBondContact O-CE 3.3Å; N782-K787 PolarHBondContact O-NZ 3.04Å; N782-K787 PolarHBondContact OD1-NZ 3.41Å; D783-K787 WeakPolarHBondContact O-CG 3.41Å; D783-K787 PolarHBondContact O-N 3.49Å; S785-K787 VanDerWaalsContact C-N 3.34Å; S785-K787 PolarHBondContact O-N 3.04Å; K787-L791 WeakPolarHBondContact O-CB 3.27Å; K787-L791 PolarHBondContact O-N 2.92Å
788L89.1Confident83.6Confident13 Ų1371.4 Ų71.47%0.06839%0.386CS..Hα-helixtrans-72.2-38.6178.2-173.862.6000112.2I784 S785 L791 T792 I800 W802I784-L788 VanDerWaalsContact O-CB 3.27Å; I784-L788 WeakPolarHBondContact O-CB 3.43Å; I784-L788 PolarHBondContact O-N 3.26Å; S785-L788 PolarHBondContact O-N 2.78Å; L788-L791 PolarHBondContact O-N 2.77Å; L788-T792 WeakPolarHBondContact O-CB 3.12Å; L788-T792 PolarHBondContact O-N 3.01Å; L788-T792 PolarHBondContact O-OG1 3.18Å; L788-I800 HydrophobicContact CD1-CD1 4Å; L788-I800 HydrophobicContact CG-CD1 4.34Å; L788-W802 HydrophobicContact CD2-CH2 3.98Å; L788-W802 HydrophobicContact CD2-CZ2 4.06Å
789T88.4Confident85.3Confident94 Ų9470.2 Ų70.258%0.57738%0.375SS*.Hα-helixtrans-67.4-42.4173.653.90000111.4S785 S786 L791 T792 L793S785-T789 PolarHBondContact O-N 3.1Å; S785-T789 PolarHBondContact O-OG1 2.82Å; S786-T789 PolarHBondContact O-OG1 3.34Å; T789-L791 VanDerWaalsContact C-N 3.35Å; T789-L791 PolarHBondContact O-N 3.49Å; T789-T792 PolarHBondContact O-N 3.37Å; T789-L793 WeakPolarHBondContact O-CB 3.44Å; T789-L793 PolarHBondContact O-N 3.46Å
790L90.7Very high86.7Confident111 Ų11165.1 Ų65.158%0.58135%0.348SS*.Hα-helixtrans-59.1-43.2173.9179.862.2000112.3S786 L793 H794S786-L790 VanDerWaalsContact O-CB 3.29Å; S786-L790 WeakPolarHBondContact O-CB 3.32Å; S786-L790 PolarHBondContact O-N 2.95Å; S786-L790 VanDerWaalsContact O-N 3.09Å; L790-L793 PolarHBondContact O-N 3.46Å; L790-H794 PolarHBondContact O-N 2.95Å; L790-H794 VanDerWaalsContact O-N 3.1Å
791L91.4Very high87.9Confident7 Ų764.8 Ų64.84%0.03734%0.343CS..Hα-helixtrans-63.6-43.1175.8-173.3150.1000111.5L736 L741 K787 L788 T789 L793 H794 F795 L798L736-L791 HydrophobicContact CD1-CD1 4.03Å; L741-L791 HydrophobicContact CD2-CD1 3.96Å; L741-L791 HydrophobicContact CG-CD1 3.83Å; K787-L791 WeakPolarHBondContact O-CB 3.27Å; K787-L791 PolarHBondContact O-N 2.92Å; L788-L791 PolarHBondContact O-N 2.77Å; T789-L791 VanDerWaalsContact C-N 3.35Å; T789-L791 PolarHBondContact O-N 3.49Å; L791-L793 VanDerWaalsContact C-N 3.34Å; L791-L793 PolarHBondContact O-N 3.41Å; L791-H794 PolarHBondContact O-N 2.95Å; L791-F795 HydrophobicContact CD2-CD2 4.1Å; L791-F795 HydrophobicContact CG-CD2 4.08Å; L791-F795 HydrophobicContact CG-CE2 4.27Å; L791-F795 VanDerWaalsContact O-CD2 3.3Å; L791-F795 WeakPolarHBondContact O-CD2 3.18Å; L791-F795 PolarHBondContact O-N 3.27Å; L791-F795 VanDerWaalsContact O-N 3.13Å; L791-L798 HydrophobicContact CD2-CD2 3.4Å
792T91.3Very high89.2Confident56 Ų5665.1 Ų65.134%0.34433%0.328SS..Hα-helixtrans-64.3-39.2177.6-52.90000111.8L788 T789 H794 F795L788-T792 WeakPolarHBondContact O-CB 3.12Å; L788-T792 PolarHBondContact O-N 3.01Å; L788-T792 PolarHBondContact O-OG1 3.18Å; T789-T792 PolarHBondContact O-N 3.37Å; T792-H794 VanDerWaalsContact C-N 3.33Å; T792-H794 PolarHBondContact O-N 2.91Å; T792-F795 CarbonylContact O-C 3.36Å; T792-F795 PolarHBondContact O-N 2.98Å
793L92.7Very high89.9Confident140 Ų14059.7 Ų59.773%0.73330%0.3SS*.Hα-helixtrans-63.5-37.7176.1-176.764.3000112.1T789 L790 L791T789-L793 WeakPolarHBondContact O-CB 3.44Å; T789-L793 PolarHBondContact O-N 3.46Å; L790-L793 PolarHBondContact O-N 3.46Å; L791-L793 VanDerWaalsContact C-N 3.34Å; L791-L793 PolarHBondContact O-N 3.41Å
794H92.1Very high90.3Very high99 Ų9960.3 Ų60.346%0.45831%0.306SS..Hα-helixtrans-73.3-29.1177.6-170.8-85.2000113.3Y742 L790 L791 T792 P796Y742-H794 AromaticContact CE2-CE1 3.9Å; Y742-H794 AromaticContact CE2-CG 3.88Å; Y742-H794 AromaticContact CE2-ND1 3.66Å; Y742-H794 AromaticContact CZ-CE1 3.77Å; Y742-H794 PolarHBondContact OH-CE1 3.4Å; Y742-H794 PolarHBondContact OH-NE2 2.73Å; L790-H794 PolarHBondContact O-N 2.95Å; L790-H794 VanDerWaalsContact O-N 3.1Å; L791-H794 PolarHBondContact O-N 2.95Å; T792-H794 VanDerWaalsContact C-N 3.33Å; T792-H794 PolarHBondContact O-N 2.91Å; H794-P796 VanDerWaalsContact O-CD 3.31Å; H794-P796 WeakPolarHBondContact O-CD 3.25Å
795F93.3Very high90.5Very high14 Ų1461.2 Ų61.26%0.06131%0.314CS..  trans-119.773.7-176.7-58.9-68.3000112.5Y742 C745 V746 L791 T792 R797 L798Y742-F795 AromaticContact CD2-CE2 3.62Å; Y742-F795 HydrophobicContact CD2-CE2 3.62Å; Y742-F795 AromaticContact CD2-CZ 3.93Å; Y742-F795 HydrophobicContact CD2-CZ 3.93Å; Y742-F795 AromaticContact CE2-CE2 3.69Å; Y742-F795 HydrophobicContact CE2-CE2 3.69Å; Y742-F795 AromaticContact CE2-CZ 3.69Å; Y742-F795 HydrophobicContact CE2-CZ 3.69Å; Y742-F795 HydrophobicContact CG-CE2 4.4Å; C745-F795 HydrophobicContact CB-CD2 3.78Å; C745-F795 HydrophobicContact CB-CE1 4.46Å; C745-F795 HydrophobicContact CB-CE2 3.55Å; C745-F795 HydrophobicContact CB-CG 4.34Å; C745-F795 HydrophobicContact CB-CZ 3.93Å; V746-F795 HydrophobicContact CG2-CE1 4Å; V746-F795 HydrophobicContact CG2-CZ 3.67Å; L791-F795 HydrophobicContact CD2-CD2 4.1Å; L791-F795 HydrophobicContact CG-CD2 4.08Å; L791-F795 HydrophobicContact CG-CE2 4.27Å; L791-F795 VanDerWaalsContact O-CD2 3.3Å; L791-F795 WeakPolarHBondContact O-CD2 3.18Å; L791-F795 PolarHBondContact O-N 3.27Å; L791-F795 VanDerWaalsContact O-N 3.13Å; T792-F795 CarbonylContact O-C 3.36Å; T792-F795 PolarHBondContact O-N 2.98Å; F795-R797 PolarHBondContact O-N 3.44Å; F795-L798 HydrophobicContact CB-CB 3.85Å; F795-L798 HydrophobicContact CB-CD2 4.5Å; F795-L798 VanDerWaalsContact O-CB 3.22Å; F795-L798 WeakPolarHBondContact O-CB 3.42Å; F795-L798 PolarHBondContact O-N 2.88Å
796P91.3Very high90.6Very high100 Ų10060.8 Ų60.865%0.64931%0.31SS*.THydrogen-bonded Turntrans-64.1-12.3-174.925.5-35.9000115.3H794 R799H794-P796 VanDerWaalsContact O-CD 3.31Å; H794-P796 WeakPolarHBondContact O-CD 3.25Å; P796-R799 PolarHBondContact O-NH1 3.44Å
797R91.9Very high90.7Very high116 Ų11664.8 Ų64.844%0.43833%0.327SS..THydrogen-bonded Turntrans-88.7-16.2171.2-67.5-170.6-60.4165.77114.1S749 F795 R799S749-R797 PolarHBondContact O-NH2 3.46Å; S749-R797 PolarHBondContact OG-NH2 3.43Å; F795-R797 PolarHBondContact O-N 3.44Å; R797-R799 PolarHBondContact O-NH1 3.2Å
798L94.3Very high90.8Very high9 Ų964.3 Ų64.35%0.04733%0.33CS..  trans-64.4139.1177.4-171.768.6000110P755 L757 L791 F795P755-L798 HydrophobicContact CB-CD1 4.11Å; P755-L798 HydrophobicContact CG-CD1 4.35Å; P755-L798 WeakPolarHBondContact O-CA 3.44Å; L757-L798 HydrophobicContact CB-CD1 4.34Å; L791-L798 HydrophobicContact CD2-CD2 3.4Å; F795-L798 HydrophobicContact CB-CB 3.85Å; F795-L798 HydrophobicContact CB-CD2 4.5Å; F795-L798 VanDerWaalsContact O-CB 3.22Å; F795-L798 WeakPolarHBondContact O-CB 3.42Å; F795-L798 PolarHBondContact O-N 2.88Å
799R94.3Very high90.9Very high140 Ų14063.7 Ų63.753%0.52833%0.326SS..EExtended strand (participates in β ladder)trans-117.7134.7171.6-61.1-64.2172-101.46.4108.9P755 V756 L757 P796 R797P755-R799 PolarHBondContact O-N 3.31Å; V756-R799 CarbonylContact C-O 3.5Å; V756-R799 WeakPolarHBondContact CA-O 3.19Å; L757-R799 PolarHBondContact N-O 2.86Å; P796-R799 PolarHBondContact O-NH1 3.44Å; R797-R799 PolarHBondContact O-NH1 3.2Å
800I93.9Very high91Very high44 Ų4459.2 Ų59.223%0.22630%0.299CS..EExtended strand (participates in β ladder)trans-104.3123.8177.1-56.7175.6000107.3L757 I759 L788 W802L757-I800 WeakPolarHBondContact O-CA 3.46Å; I759-I800 HydrophobicContact CD1-CG2 3.54Å; I759-I800 HydrophobicContact CG1-CG2 4.18Å; L788-I800 HydrophobicContact CD1-CD1 4Å; L788-I800 HydrophobicContact CG-CD1 4.34Å; I800-W802 HydrophobicContact CG2-CD2 4.39Å; I800-W802 HydrophobicContact CG2-CZ2 4Å
801L94Very high91.1Very high42 Ų4258.2 Ų58.222%0.2229%0.292CS..EExtended strand (participates in β ladder)trans-108.8133.2172.9-62179.3000108.5V756 L757 L758 I759 L812 L816V756-L801 HydrophobicContact CG1-CB 4.49Å; V756-L801 HydrophobicContact CG1-CD1 3.58Å; V756-L801 HydrophobicContact CG1-CG 3.77Å; L757-L801 PolarHBondContact O-N 3.22Å; L758-L801 HydrophobicContact CD1-CB 3.88Å; I759-L801 PolarHBondContact N-O 3.38Å; L801-L812 HydrophobicContact CB-CD2 4.39Å; L801-L812 HydrophobicContact CD1-CD2 4.14Å; L801-L816 HydrophobicContact CD1-CD1 3.69Å
802W91.4Very high91.1Very high107 Ų10759.8 Ų59.841%0.40530%0.3SS..EExtended strand (participates in β ladder)trans-111.3122.5179.2-60.689.7000108I759 F761 F767 L769 L788 I800I759-W802 HydrophobicContact CB-CD2 4.45Å; I759-W802 HydrophobicContact CB-CE3 3.89Å; I759-W802 HydrophobicContact CB-CZ3 4.04Å; I759-W802 HydrophobicContact CD1-CD2 4.36Å; I759-W802 HydrophobicContact CD1-CE3 4.1Å; I759-W802 HydrophobicContact CD1-CH2 3.49Å; I759-W802 VanDerWaalsContact CD1-CH2 3.49Å; I759-W802 HydrophobicContact CD1-CZ2 3.78Å; I759-W802 HydrophobicContact CD1-CZ3 3.66Å; I759-W802 HydrophobicContact CG1-CZ3 4.46Å; I759-W802 HydrophobicContact CG2-CE3 3.83Å; I759-W802 HydrophobicContact CG2-CZ3 3.66Å; F761-W802 HydrophobicContact CE1-CB 4.25Å; F767-W802 AromaticContact CE2-CZ3 3.91Å; F767-W802 HydrophobicContact CE2-CZ3 3.91Å; F767-W802 HydrophobicContact CZ-CE3 4.24Å; F767-W802 HydrophobicContact CZ-CH2 4.19Å; F767-W802 AromaticContact CZ-CZ3 3.58Å; F767-W802 HydrophobicContact CZ-CZ3 3.58Å; L769-W802 HydrophobicContact CD1-CH2 4.11Å; L788-W802 HydrophobicContact CD2-CH2 3.98Å; L788-W802 HydrophobicContact CD2-CZ2 4.06Å; I800-W802 HydrophobicContact CG2-CD2 4.39Å; I800-W802 HydrophobicContact CG2-CZ2 4Å
803C89.8Confident91.2Very high2 Ų257.1 Ų57.11%0.01428%0.283CS..EExtended strand (participates in β ladder)trans-126.4134-177.558.30000111L758 I759 E760 F761 T809L758-C803 HydrophobicContact CD1-CB 4.17Å; L758-C803 VanDerWaalsContact CD1-SG 3.59Å; I759-C803 PolarHBondContact O-N 2.9Å; I759-C803 PolarHBondContact O-SG 3.36Å; E760-C803 VanDerWaalsContact CG-SG 3.55Å; F761-C803 WeakPolarHBondContact CD1-O 3.45Å; F761-C803 WeakPolarHBondContact CE1-O 3.3Å; F761-C803 PolarHBondContact N-O 3.11Å; F761-C803 VanDerWaalsContact N-O 3.14Å; C803-T809 PolarHBondContact SG-OG1 3.23Å
804P87.3Confident91.1Very high59 Ų5953.1 Ų53.138%0.38326%0.261SS..SBendtrans-85.2-4.6-176.135-37.6000113.6F761 P763 A808F761-P804 HydrophobicContact CE2-CB 3.8Å; F761-P804 HydrophobicContact CZ-CB 3.76Å; F761-P804 CarbonylContact O-C 3.41Å; F761-P804 VanDerWaalsContact O-C 3.29Å; F761-P804 VanDerWaalsContact O-O 3.12Å; P763-P804 VanDerWaalsContact CD-O 3.32Å; P763-P804 WeakPolarHBondContact CD-O 3.39Å; P804-A808 HydrophobicContact CG-CB 4.04Å
805S84.8Confident91Very high37 Ų3754.9 Ų54.926%0.25927%0.27SS..SBendtrans-168157.9172.965.40000111.1H807 A808 T809S805-H807 PolarHBondContact O-N 3.23Å; S805-H807 PolarHBondContact OG-N 3.19Å; S805-A808 WeakPolarHBondContact O-CB 3.46Å; S805-A808 PolarHBondContact O-N 3.01Å; S805-A808 PolarHBondContact OG-N 2.9Å; S805-A808 VanDerWaalsContact OG-N 3.13Å; S805-T809 PolarHBondContact O-N 2.74Å; S805-T809 PolarHBondContact O-OG1 3Å
806P86.9Confident90.9Very high29 Ų2956 Ų5619%0.18828%0.276CS..Hα-helixtrans-57.8-26170.4-25.735.1000114L695 L698 T809 A810L695-P806 WeakPolarHBondContact CD1-O 3.42Å; L698-P806 HydrophobicContact CD1-CB 3.75Å; P806-T809 WeakPolarHBondContact O-CB 3.26Å; P806-T809 PolarHBondContact O-N 3.18Å; P806-A810 PolarHBondContact O-N 3.47Å; P806-A810 VanDerWaalsContact O-N 3.09Å
807H87.8Confident90.8Very high103 Ų10351.3 Ų51.348%0.47725%0.245SC..Hα-helixtrans-69.7-40.7175-72.370.4000111.4S805 A810 E811S805-H807 PolarHBondContact O-N 3.23Å; S805-H807 PolarHBondContact OG-N 3.19Å; H807-A810 PolarHBondContact O-N 2.96Å; H807-E811 PolarHBondContact O-N 3.27Å
808A90.5Very high90.5Very high28 Ų2851.3 Ų51.323%0.23125%0.25CS..Hα-helixtrans-70.7-30.4171.900000112.1P804 S805 E811 L812P804-A808 HydrophobicContact CG-CB 4.04Å; S805-A808 WeakPolarHBondContact O-CB 3.46Å; S805-A808 PolarHBondContact O-N 3.01Å; S805-A808 PolarHBondContact OG-N 2.9Å; S805-A808 VanDerWaalsContact OG-N 3.13Å; A808-E811 PolarHBondContact O-N 3.1Å; A808-L812 VanDerWaalsContact O-CB 3.25Å; A808-L812 WeakPolarHBondContact O-CB 3.33Å; A808-L812 PolarHBondContact O-N 3.35Å
809T91.6Very high90.2Very high0 Ų058.5 Ų58.50%029%0.289CS..Hα-helixtrans-61.5-46171.7-53.10000111.8L695 L758 E760 C803 S805 P806 E811 L812 F813L695-T809 HydrophobicContact CD1-CG2 3.8Å; L695-T809 HydrophobicContact CD2-CG2 3.48Å; L695-T809 VanDerWaalsContact CD2-CG2 3.48Å; L695-T809 HydrophobicContact CG-CG2 4.32Å; L758-T809 HydrophobicContact CD1-CG2 4.32Å; L758-T809 HydrophobicContact CD2-CG2 3.35Å; L758-T809 HydrophobicContact CG-CG2 4.44Å; E760-T809 PolarHBondContact OE1-OG1 3.27Å; C803-T809 PolarHBondContact SG-OG1 3.23Å; S805-T809 PolarHBondContact O-N 2.74Å; S805-T809 PolarHBondContact O-OG1 3Å; P806-T809 WeakPolarHBondContact O-CB 3.26Å; P806-T809 PolarHBondContact O-N 3.18Å; T809-E811 VanDerWaalsContact C-N 3.34Å; T809-E811 PolarHBondContact O-N 3.34Å; T809-L812 PolarHBondContact O-N 2.93Å; T809-F813 HydrophobicContact CG2-CD1 4.09Å; T809-F813 HydrophobicContact CG2-CE1 3.66Å; T809-F813 HydrophobicContact CG2-CE2 4.26Å; T809-F813 HydrophobicContact CG2-CZ 3.76Å; T809-F813 WeakPolarHBondContact O-CD1 3.46Å; T809-F813 WeakPolarHBondContact O-CG 3.45Å; T809-F813 PolarHBondContact O-N 3.03Å
810A90.5Very high89.8Confident1 Ų154.8 Ų54.81%0.00828%0.276CS..Hα-helixtrans-62.8-39.9179.400000112.3L695 L698 I699 R702 P806 H807 F813 E814L695-A810 HydrophobicContact CD1-CB 4.16Å; L698-A810 HydrophobicContact CB-CB 4.06Å; I699-A810 HydrophobicContact CG1-CB 4.18Å; R702-A810 HydrophobicContact CG-CB 4.22Å; P806-A810 PolarHBondContact O-N 3.47Å; P806-A810 VanDerWaalsContact O-N 3.09Å; H807-A810 PolarHBondContact O-N 2.96Å; A810-F813 PolarHBondContact O-N 3.35Å; A810-E814 PolarHBondContact O-N 2.98Å
811E91.4Very high89.6Confident89 Ų8957.1 Ų57.142%0.41629%0.294SS..Hα-helixtrans-65-45.2173.3-173.8162.1103.300112.1R702 H807 A808 T809 F813 E814 E815R702-E811 IonicContact CZ-OE2 3.45Å; R702-E811 VanDerWaalsContact CZ-OE2 3.23Å; R702-E811 IonicContact NH1-OE2 3.14Å; R702-E811 PolarHBondContact NH1-OE2 3.32Å; R702-E811 IonicContact NH2-OE2 3.86Å; R702-E811 PolarHBondContact NH2-OE2 3.03Å; H807-E811 PolarHBondContact O-N 3.27Å; A808-E811 PolarHBondContact O-N 3.1Å; T809-E811 VanDerWaalsContact C-N 3.34Å; T809-E811 PolarHBondContact O-N 3.34Å; E811-F813 VanDerWaalsContact C-N 3.26Å; E811-F813 PolarHBondContact O-N 3.28Å; E811-E814 VanDerWaalsContact O-CB 3.23Å; E811-E814 WeakPolarHBondContact O-CB 3.38Å; E811-E814 PolarHBondContact O-N 2.98Å; E811-E814 VanDerWaalsContact O-N 3.1Å; E811-E815 PolarHBondContact O-N 3.37Å
812L92.7Very high89.3Confident40 Ų4057.5 Ų57.521%0.20930%0.295CS..Hα-helixtrans-63-31.3176.3-179.359.7000112.4L801 A808 T809 L816L801-L812 HydrophobicContact CB-CD2 4.39Å; L801-L812 HydrophobicContact CD1-CD2 4.14Å; A808-L812 VanDerWaalsContact O-CB 3.25Å; A808-L812 WeakPolarHBondContact O-CB 3.33Å; A808-L812 PolarHBondContact O-N 3.35Å; T809-L812 PolarHBondContact O-N 2.93Å; L812-L816 HydrophobicContact CD1-CD1 4.23Å; L812-L816 HydrophobicContact CD1-CG 4.17Å; L812-L816 HydrophobicContact CG-CD1 3.94Å; L812-L816 HydrophobicContact CG-CG 4.36Å; L812-L816 WeakPolarHBondContact O-CB 3.47Å; L812-L816 WeakPolarHBondContact O-CD1 3.24Å; L812-L816 WeakPolarHBondContact O-CG 3.45Å; L812-L816 PolarHBondContact O-N 3.33Å
813F92.8Very high89.1Confident0 Ų052.6 Ų52.60%028%0.277CS..Hα-helixtrans-70.4-36173.9-76.611.3000112L695 I699 Y716 L718 V724 L758 T809 A810 E811 K817L695-F813 HydrophobicContact CD2-CE2 4.21Å; L695-F813 HydrophobicContact CD2-CZ 4.39Å; I699-F813 HydrophobicContact CD1-CD2 3.6Å; I699-F813 HydrophobicContact CD1-CE2 3.81Å; I699-F813 HydrophobicContact CG1-CD2 4.13Å; Y716-F813 AromaticContact CD1-CE2 3.76Å; Y716-F813 HydrophobicContact CD1-CE2 3.76Å; Y716-F813 HydrophobicContact CD2-CE2 4.36Å; Y716-F813 HydrophobicContact CD2-CZ 4.42Å; Y716-F813 HydrophobicContact CE1-CE2 4.14Å; Y716-F813 AromaticContact CG-CE2 3.91Å; Y716-F813 HydrophobicContact CG-CE2 3.91Å; Y716-F813 HydrophobicContact CG-CZ 4.29Å; L718-F813 HydrophobicContact CD1-CD1 4Å; L718-F813 HydrophobicContact CD1-CE1 4.27Å; L718-F813 HydrophobicContact CD1-CG 4.29Å; L718-F813 HydrophobicContact CD2-CB 4.29Å; L718-F813 HydrophobicContact CD2-CD1 4.3Å; L718-F813 HydrophobicContact CD2-CD2 3.67Å; L718-F813 HydrophobicContact CD2-CE2 3.99Å; L718-F813 HydrophobicContact CD2-CG 3.84Å; L718-F813 HydrophobicContact CD2-CZ 4.42Å; V724-F813 HydrophobicContact CG1-CZ 4.4Å; L758-F813 HydrophobicContact CD2-CE1 4.23Å; L758-F813 HydrophobicContact CD2-CZ 4.18Å; T809-F813 HydrophobicContact CG2-CD1 4.09Å; T809-F813 HydrophobicContact CG2-CE1 3.66Å; T809-F813 HydrophobicContact CG2-CE2 4.26Å; T809-F813 HydrophobicContact CG2-CZ 3.76Å; T809-F813 WeakPolarHBondContact O-CD1 3.46Å; T809-F813 WeakPolarHBondContact O-CG 3.45Å; T809-F813 PolarHBondContact O-N 3.03Å; A810-F813 PolarHBondContact O-N 3.35Å; E811-F813 VanDerWaalsContact C-N 3.26Å; E811-F813 PolarHBondContact O-N 3.28Å; F813-K817 WeakPolarHBondContact O-CB 3.13Å; F813-K817 PolarHBondContact O-N 2.77Å
814E90.4Very high88.9Confident56 Ų5657.4 Ų57.426%0.26230%0.303SS..Hα-helixtrans-61.2-53.5172.4-159.2179.5167.700110.4R702 I704 A810 E811 L816 K817 Q818R702-E814 WeakPolarHBondContact CD-OE2 3.49Å; R702-E814 IonicContact NH1-OE2 2.86Å; R702-E814 PolarHBondContact NH1-OE2 3.03Å; I704-E814 HydrophobicContact CD1-CB 4.01Å; I704-E814 HydrophobicContact CD1-CG 4.33Å; A810-E814 PolarHBondContact O-N 2.98Å; E811-E814 VanDerWaalsContact O-CB 3.23Å; E811-E814 WeakPolarHBondContact O-CB 3.38Å; E811-E814 PolarHBondContact O-N 2.98Å; E811-E814 VanDerWaalsContact O-N 3.1Å; E814-L816 PolarHBondContact O-N 3.25Å; E814-K817 PolarHBondContact O-N 3.45Å; E814-Q818 PolarHBondContact O-N 3.27Å
815E90.7Very high88.6Confident137 Ų13755.5 Ų55.564%0.6429%0.292SS*.Hα-helixtrans-60.6-46.4176.7-68.1-166.9145.700112.9E811 K817 Q818E811-E815 PolarHBondContact O-N 3.37Å; E815-K817 PolarHBondContact O-N 3.25Å; E815-K817 VanDerWaalsContact O-N 3.13Å; E815-Q818 PolarHBondContact O-N 3Å
816L91Very high88.5Confident36 Ų3657.4 Ų57.419%0.18831%0.31CS..Hα-helixtrans-62-21.7179.9-83.4170.2000112.7L718 L801 L812 E814 K820L718-L816 HydrophobicContact CD1-CB 4.29Å; L718-L816 HydrophobicContact CD1-CD1 4.05Å; L801-L816 HydrophobicContact CD1-CD1 3.69Å; L812-L816 HydrophobicContact CD1-CD1 4.23Å; L812-L816 HydrophobicContact CD1-CG 4.17Å; L812-L816 HydrophobicContact CG-CD1 3.94Å; L812-L816 HydrophobicContact CG-CG 4.36Å; L812-L816 WeakPolarHBondContact O-CB 3.47Å; L812-L816 WeakPolarHBondContact O-CD1 3.24Å; L812-L816 WeakPolarHBondContact O-CG 3.45Å; L812-L816 PolarHBondContact O-N 3.33Å; E814-L816 PolarHBondContact O-N 3.25Å; L816-K820 VanDerWaalsContact O-CD 3.31Å; L816-K820 WeakPolarHBondContact O-CD 3.29Å; L816-K820 WeakPolarHBondContact O-CE 3.21Å; L816-K820 PolarHBondContact O-NZ 3.46Å
817K88.4Confident88.1Confident3 Ų359.7 Ų59.71%0.01332%0.323CS..Hα-helixtrans-96.8-16.7-174.7-168161.6-179.9-170.90113.7Q682 S683 V684 F813 E814 E815 N819 K820Q682-K817 VanDerWaalsContact C-NZ 3.26Å; Q682-K817 HydrophobicContact CB-CD 4.06Å; Q682-K817 HydrophobicContact CG-CD 4.47Å; S683-K817 PolarHBondContact O-NZ 3.07Å; V684-K817 HydrophobicContact CG2-CD 4.16Å; F813-K817 WeakPolarHBondContact O-CB 3.13Å; F813-K817 PolarHBondContact O-N 2.77Å; E814-K817 PolarHBondContact O-N 3.45Å; E815-K817 PolarHBondContact O-N 3.25Å; E815-K817 VanDerWaalsContact O-N 3.13Å; K817-N819 PolarHBondContact O-N 3.24Å; K817-K820 WeakPolarHBondContact O-CB 3.42Å; K817-K820 PolarHBondContact O-N 3.16Å; K817-K820 VanDerWaalsContact O-N 3.12Å
818Q86.9Confident87.6Confident116 Ų11655 Ų5554%0.54230%0.303SS..THydrogen-bonded Turntrans-55.2131.5-178.6-163.468.2-25.600112.2E814 E815 K820E814-Q818 PolarHBondContact O-N 3.27Å; E815-Q818 PolarHBondContact O-N 3Å; Q818-K820 VanDerWaalsContact C-N 3.32Å; Q818-K820 PolarHBondContact O-N 3.19Å
819N86.3Confident87.1Confident160 Ų16057.1 Ų57.186%0.85631%0.31SS*.THydrogen-bonded Turntrans60.425.6-176.8-52.5-51.7000116.1K817K817-N819 PolarHBondContact O-N 3.24Å
820K87.4Confident86.4Confident61 Ų6160 Ų6027%0.26533%0.333SS..  trans-116.3154.1176.7-62-177.5-170.2167.60112.6T719 L816 K817 Q818T719-K820 HydrophobicContact CG2-CB 3.72Å; T719-K820 HydrophobicContact CG2-CD 3.77Å; T719-K820 HydrophobicContact CG2-CG 4.39Å; L816-K820 VanDerWaalsContact O-CD 3.31Å; L816-K820 WeakPolarHBondContact O-CD 3.29Å; L816-K820 WeakPolarHBondContact O-CE 3.21Å; L816-K820 PolarHBondContact O-NZ 3.46Å; K817-K820 WeakPolarHBondContact O-CB 3.42Å; K817-K820 PolarHBondContact O-N 3.16Å; K817-K820 VanDerWaalsContact O-N 3.12Å; Q818-K820 VanDerWaalsContact C-N 3.32Å; Q818-K820 PolarHBondContact O-N 3.19Å
821P88.7Confident85.5Confident93 Ų9361.9 Ų61.960%0.60434%0.343SS*.PPolyproline II helixtrans-66.3149.3173.728.1-35.3000111.9P720P720-P821 WeakPolarHBondContact CD-O 3.35Å
822Q87.3Confident84Confident50 Ų5059.1 Ų59.123%0.23433%0.332CS..PPolyproline II helixtrans-68151175.4-51.6-57.3-25.700111.1P720P720-Q822 VanDerWaalsContact CD-O 3.28Å; P720-Q822 WeakPolarHBondContact CD-O 3.19Å; P720-Q822 WeakPolarHBondContact CG-O 3.34Å
823P88.1Confident82.3Confident4 Ų460.6 Ų60.63%0.02635%0.35CS..PPolyproline II helixtrans-79.3136.9170.132.9-32.4000111.6S683 V685 I717S683-P823 WeakPolarHBondContact O-CD 3.33Å; S683-P823 VanDerWaalsContact O-CG 3.29Å; S683-P823 WeakPolarHBondContact O-CG 3.43Å; V685-P823 HydrophobicContact CG2-CB 4.21Å; V685-P823 HydrophobicContact CG2-CG 4.09Å; I717-P823 HydrophobicContact CG2-CB 3.93Å
824D85.5Confident80.3Confident103 Ų10367.2 Ų67.255%0.55139%0.385SS*.PPolyproline II helixtrans-93.1118.8174.5-59.4-50.3000111A826 T827 A828D824-A826 PolarHBondContact O-N 3.08Å; D824-A826 VanDerWaalsContact O-N 3.13Å; D824-T827 PolarHBondContact O-N 3.41Å; D824-T827 PolarHBondContact O-OG1 3.04Å; D824-T827 VanDerWaalsContact O-OG1 3.09Å; D824-A828 PolarHBondContact O-N 3.36Å
825A81.3Confident78.3Confident20 Ų2067.7 Ų67.717%0.16540%0.395CS..Hα-helixtrans-56.5-30.4177.500000114V685 E707 V709 A828 L829V685-A825 HydrophobicContact CG2-CB 4.18Å; E707-A825 VanDerWaalsContact OE2-CB 3.27Å; E707-A825 WeakPolarHBondContact OE2-CB 3.25Å; V709-A825 HydrophobicContact CG1-CB 4.02Å; A825-A828 PolarHBondContact O-N 3.38Å; A825-L829 WeakPolarHBondContact O-CG 3.41Å; A825-L829 PolarHBondContact O-N 3.04Å
826A82.6Confident76Confident76 Ų7667 Ų6763%0.62839%0.391SS*.Hα-helixtrans-65.4-37.9179.900000113.3D824 A830D824-A826 PolarHBondContact O-N 3.08Å; D824-A826 VanDerWaalsContact O-N 3.13Å; A826-A830 PolarHBondContact O-N 3.1Å
827T79.6Confident73.8Confident77 Ų7772 Ų7247%0.47242%0.424SS..Hα-helixtrans-76.6-32.4175.853.20000111.8D824 L829 A830 I831D824-T827 PolarHBondContact O-N 3.41Å; D824-T827 PolarHBondContact O-OG1 3.04Å; D824-T827 VanDerWaalsContact O-OG1 3.09Å; T827-L829 PolarHBondContact O-N 3.48Å; T827-A830 PolarHBondContact O-N 2.96Å; T827-I831 WeakPolarHBondContact O-CG1 3.3Å; T827-I831 PolarHBondContact O-N 3.32Å
828A77.2Confident71.6Confident5 Ų579.3 Ų79.34%0.04146%0.462CS..Hα-helixtrans-59.9-44.5173.300000111.9V685 L711 I717 D824 A825 I831V685-A828 HydrophobicContact CG1-CB 4.38Å; L711-A828 HydrophobicContact CD2-CB 3.97Å; I717-A828 HydrophobicContact CD1-CB 3.52Å; D824-A828 PolarHBondContact O-N 3.36Å; A825-A828 PolarHBondContact O-N 3.38Å; A828-I831 PolarHBondContact O-N 3.2Å
829L78.4Confident69.7Low73 Ų7377.4 Ų77.438%0.38246%0.46SS..Hα-helixtrans-65.9-41.1174.9-72.3168.9000112.4V709 A825 T827 I831 T832V709-L829 HydrophobicContact CB-CD2 4.22Å; A825-L829 WeakPolarHBondContact O-CG 3.41Å; A825-L829 PolarHBondContact O-N 3.04Å; T827-L829 PolarHBondContact O-N 3.48Å; L829-I831 VanDerWaalsContact C-N 3.27Å; L829-I831 PolarHBondContact O-N 3.35Å; L829-T832 PolarHBondContact O-N 3.47Å; L829-T832 VanDerWaalsContact O-N 3.09Å; L829-T832 PolarHBondContact O-OG1 2.98Å
830A76.8Confident67.8Low59 Ų5974.8 Ų74.849%0.48844%0.443SS..Hα-helixtrans-58.8-36.7178.100000113.1A826 T827 T832 A833A826-A830 PolarHBondContact O-N 3.1Å; T827-A830 PolarHBondContact O-N 2.96Å; A830-T832 VanDerWaalsContact C-N 3.26Å; A830-T832 PolarHBondContact O-N 3.5Å; A830-A833 PolarHBondContact O-N 2.94Å
831I72.1Confident66.1Low42 Ų4274.3 Ų74.322%0.21545%0.447CS..Hα-helixtrans-64.5-28.3177.9-69.1163.5000112.4Y751 T827 A828 L829Y751-I831 HydrophobicContact CD1-CG2 3.78Å; Y751-I831 HydrophobicContact CD2-CG2 4.21Å; Y751-I831 HydrophobicContact CE1-CG2 4.29Å; Y751-I831 HydrophobicContact CG-CG2 3.73Å; T827-I831 WeakPolarHBondContact O-CG1 3.3Å; T827-I831 PolarHBondContact O-N 3.32Å; A828-I831 PolarHBondContact O-N 3.2Å; L829-I831 VanDerWaalsContact C-N 3.27Å; L829-I831 PolarHBondContact O-N 3.35Å
832T61Low64.3Low30 Ų3079.1 Ų79.118%0.18446%0.461CS..Hα-helixtrans-73.2-38.4178.267.70000112.3E712 L829 A830 D834 S835E712-T832 HydrophobicContact CB-CG2 4.03Å; E712-T832 HydrophobicContact CG-CG2 4.2Å; L829-T832 PolarHBondContact O-N 3.47Å; L829-T832 VanDerWaalsContact O-N 3.09Å; L829-T832 PolarHBondContact O-OG1 2.98Å; A830-T832 VanDerWaalsContact C-N 3.26Å; A830-T832 PolarHBondContact O-N 3.5Å; T832-D834 VanDerWaalsContact C-N 3.3Å; T832-D834 PolarHBondContact O-N 3.36Å; T832-S835 PolarHBondContact O-N 3.21Å; T832-S835 VanDerWaalsContact O-N 3.1Å
833A55.8Low62.9Low71 Ų7183 Ų8359%0.58748%0.478SS*.Hα-helixtrans-61.5-33.6-176.900000113.6A830 S835 E836A830-A833 PolarHBondContact O-N 2.94Å; A833-S835 PolarHBondContact O-N 2.75Å; A833-S835 VanDerWaalsContact O-N 3.08Å; A833-E836 PolarHBondContact O-N 3.49Å
834D51.1Low61.8Low140 Ų14086 Ų8675%0.74949%0.489SS*.THydrogen-bonded Turntrans-63.9-10.2177.2-87.6-5.7000114.3T832T832-D834 VanDerWaalsContact C-N 3.3Å; T832-D834 PolarHBondContact O-N 3.36Å
835S48.9Very low61.1Low66 Ų6687.2 Ų87.246%0.46250%0.495SS..THydrogen-bonded Turntrans-106-11.4-174.2-580000114.6Y751 T832 A833Y751-S835 PolarHBondContact OH-OG 2.61Å; Y751-S835 VanDerWaalsContact OH-OG 3.07Å; T832-S835 PolarHBondContact O-N 3.21Å; T832-S835 VanDerWaalsContact O-N 3.1Å; A833-S835 PolarHBondContact O-N 2.75Å; A833-S835 VanDerWaalsContact O-N 3.08Å
836E42.9Very low60.8Low121 Ų12189.4 Ų89.457%0.56551%0.513SS*.  trans-93.9122.3-173.4-68-155.2149.700114.5A833 L838 P839A833-E836 PolarHBondContact O-N 3.49Å; E836-L838 VanDerWaalsContact C-N 3.34Å; E836-L838 PolarHBondContact O-N 3.35Å; E836-L838 VanDerWaalsContact O-N 3.07Å; E836-P839 WeakPolarHBondContact OE2-CD 3.4Å; E836-P839 WeakPolarHBondContact OE2-CG 3.28Å
837T44.1Very low60.8Low143 Ų14388.1 Ų88.188%0.87751%0.508SS*.  trans-74.889.4155.8520000109.4
838L43.1Very low60.9Low156 Ų15687.5 Ų87.582%0.81751%0.505SS*.  trans14.8100.4169.6-73.9172.5000115.8E836 E840E836-L838 VanDerWaalsContact C-N 3.34Å; E836-L838 PolarHBondContact O-N 3.35Å; E836-L838 VanDerWaalsContact O-N 3.07Å; L838-E840 PolarHBondContact O-N 3.05Å
839P47Very low61.1Low75 Ų7590 Ų9049%0.48752%0.515SS..  trans-73.470.9175.831.1-35.5000112.8E836 S841E836-P839 WeakPolarHBondContact OE2-CD 3.4Å; E836-P839 WeakPolarHBondContact OE2-CG 3.28Å; P839-S841 PolarHBondContact O-N 3.47Å; P839-S841 PolarHBondContact O-OG 3.26Å
840E45.8Very low61.3Low106 Ų10691.1 Ų91.150%0.49552%0.522SS..THydrogen-bonded Turntrans-72.146.2150.7-79-148.8166.700110.8L838 K843 R864L838-E840 PolarHBondContact O-N 3.05Å; E840-K843 IonicContact OE1-NZ 2.74Å; E840-K843 PolarHBondContact OE1-NZ 3.03Å; E840-K843 IonicContact OE2-NZ 2.66Å; E840-K843 PolarHBondContact OE2-NZ 3.16Å; E840-R864 PolarHBondContact O-NH1 2.92Å; E840-R864 PolarHBondContact O-NH2 3.29Å; E840-R864 IonicContact OE2-NH2 3.88Å; E840-R864 PolarHBondContact OE2-NH2 3.48Å
841S50.5Low61.8Low51 Ų5194.1 Ų94.136%0.35752%0.524SS..THydrogen-bonded Turntrans-80-27.3173.946.70000111.4P839 K843 Y844P839-S841 PolarHBondContact O-N 3.47Å; P839-S841 PolarHBondContact O-OG 3.26Å; S841-K843 PolarHBondContact O-N 2.82Å; S841-Y844 PolarHBondContact O-N 3.39Å
842E51.7Low62.5Low194 Ų19492.2 Ų92.291%0.90751%0.514SS*.THydrogen-bonded Turntrans-54.5-22-179.6-60.3-174.6148.600114.5
843K58.2Low63.7Low132 Ų13293.6 Ų93.657%0.57452%0.52SS*.THydrogen-bonded Turntrans-81-11.1177-64.7174.4-171.91660114.2E840 S841E840-K843 IonicContact OE1-NZ 2.74Å; E840-K843 PolarHBondContact OE1-NZ 3.03Å; E840-K843 IonicContact OE2-NZ 2.66Å; E840-K843 PolarHBondContact OE2-NZ 3.16Å; S841-K843 PolarHBondContact O-N 2.82Å
844Y63.7Low65.2Low66 Ų6698.3 Ų98.326%0.25953%0.528SS..SBendtrans-143.3140.1-172.2-69-88000112.9S841 A846 M867S841-Y844 PolarHBondContact O-N 3.39Å; Y844-A846 PolarHBondContact O-N 2.98Å; Y844-M867 HydrophobicContact CD1-CB 4.49Å; Y844-M867 HydrophobicContact CD1-CG 3.38Å; Y844-M867 HydrophobicContact CD1-SD 4.5Å; Y844-M867 HydrophobicContact CE1-CB 4.35Å; Y844-M867 HydrophobicContact CE1-CG 3.59Å; Y844-M867 WeakPolarHBondContact CE1-O 3.05Å; Y844-M867 HydrophobicContact CG-CG 4.15Å
845N72.3Confident67Low129 Ų12992.5 Ų92.569%0.6950%0.496SS*.  trans-63.4126.8179.8-68-25.7000111.9G847 P848 Q849N845-G847 PolarHBondContact O-N 2.9Å; N845-P848 HydrophobicContact CB-CG 4.07Å; N845-P848 WeakPolarHBondContact O-CD 3.25Å; N845-Q849 PolarHBondContact O-N 3.37Å
846A75.4Confident68.8Low66 Ų6691.4 Ų91.455%0.54549%0.488SS..Hα-helixtrans-60.3-39.4-178.300000113.6Y844 Q849 D850Y844-A846 PolarHBondContact O-N 2.98Å; A846-Q849 WeakPolarHBondContact O-CB 3.49Å; A846-Q849 PolarHBondContact O-N 3.43Å; A846-Q849 VanDerWaalsContact O-N 3.13Å; A846-D850 PolarHBondContact O-N 3.43Å
847G81.4Confident70.8Confident49 Ų4986.2 Ų86.251%0.50547%0.466SS..Hα-helixtrans-57.5-54.1-178.800000114.2N845 Q849 D850 F851N845-G847 PolarHBondContact O-N 2.9Å; G847-Q849 VanDerWaalsContact C-N 3.31Å; G847-Q849 PolarHBondContact O-N 2.87Å; G847-D850 PolarHBondContact O-N 3.47Å; G847-F851 WeakPolarHBondContact O-CB 3.4Å; G847-F851 PolarHBondContact O-N 3.37Å
848P82.7Confident72.8Confident63 Ų6380 Ų8041%0.40943%0.428SS..Hα-helixtrans-57.6-37.8171-29.336.2000114.2N845 L852 M867N845-P848 HydrophobicContact CB-CG 4.07Å; N845-P848 WeakPolarHBondContact O-CD 3.25Å; P848-L852 WeakPolarHBondContact O-CB 3.42Å; P848-L852 PolarHBondContact O-N 3.4Å; P848-M867 HydrophobicContact CB-CE 4.3Å
849Q81.5Confident74.7Confident57 Ų5777.1 Ų77.127%0.26641%0.413SS..Hα-helixtrans-64.4-47.5176.6177.7174-35.500111.7N845 A846 G847 L852 L853 M867N845-Q849 PolarHBondContact O-N 3.37Å; A846-Q849 WeakPolarHBondContact O-CB 3.49Å; A846-Q849 PolarHBondContact O-N 3.43Å; A846-Q849 VanDerWaalsContact O-N 3.13Å; G847-Q849 VanDerWaalsContact C-N 3.31Å; G847-Q849 PolarHBondContact O-N 2.87Å; Q849-L852 PolarHBondContact O-N 3.44Å; Q849-L853 HydrophobicContact CG-CD1 3.92Å; Q849-L853 HydrophobicContact CG-CG 4.48Å; Q849-L853 WeakPolarHBondContact O-CB 3Å; Q849-L853 VanDerWaalsContact O-CG 3.26Å; Q849-L853 WeakPolarHBondContact O-CG 3.09Å; Q849-L853 PolarHBondContact O-N 2.9Å; Q849-M867 HydrophobicContact CB-CE 4.01Å
850D82.3Confident76.3Confident97 Ų9777.4 Ų77.452%0.51942%0.422SS..Hα-helixtrans-61.5-44.4176.9-81.8-24.6000111.9A846 G847 L853 K854A846-D850 PolarHBondContact O-N 3.43Å; G847-D850 PolarHBondContact O-N 3.47Å; D850-L853 PolarHBondContact O-N 2.88Å; D850-K854 WeakPolarHBondContact O-CG 3.46Å; D850-K854 PolarHBondContact O-N 3.19Å
851F86Confident77.9Confident122 Ų12281.8 Ų81.854%0.53544%0.439SS..Hα-helixtrans-61.5-46.9177.4-175.1-114.7000111.6G847 L853 K854 M855 I873G847-F851 WeakPolarHBondContact O-CB 3.4Å; G847-F851 PolarHBondContact O-N 3.37Å; F851-L853 PolarHBondContact O-N 3.01Å; F851-K854 PolarHBondContact O-N 2.91Å; F851-K854 VanDerWaalsContact O-N 3.11Å; F851-M855 HydrophobicContact CD1-CE 3.77Å; F851-M855 HydrophobicContact CE1-CE 3.31Å; F851-M855 HydrophobicContact CZ-CE 3.97Å; F851-I873 HydrophobicContact CD1-CD1 4.38Å; F851-I873 HydrophobicContact CD1-CG1 4.18Å; F851-I873 HydrophobicContact CE1-CG1 4.06Å
852L86.4Confident79.5Confident2 Ų280.1 Ų80.11%0.0143%0.427CS..Hα-helixtrans-64.2-37.9177.9-17663.1000111.8P848 Q849 K854 M855 V858 L866 M867 I873 L876P848-L852 WeakPolarHBondContact O-CB 3.42Å; P848-L852 PolarHBondContact O-N 3.4Å; Q849-L852 PolarHBondContact O-N 3.44Å; L852-K854 PolarHBondContact O-N 3.4Å; L852-M855 HydrophobicContact CD1-SD 3.96Å; L852-M855 WeakPolarHBondContact O-CB 3.43Å; L852-M855 PolarHBondContact O-N 3.38Å; L852-V858 HydrophobicContact CD1-CG2 4.03Å; L852-V858 HydrophobicContact CG-CG1 4.19Å; L852-V858 HydrophobicContact CG-CG2 4.48Å; L852-V858 WeakPolarHBondContact O-CB 3.3Å; L852-V858 WeakPolarHBondContact O-CG1 3.27Å; L852-L866 HydrophobicContact CD1-CD1 4.4Å; L852-L866 HydrophobicContact CD1-CD2 4.05Å; L852-L866 HydrophobicContact CD2-CD2 3.79Å; L852-M867 HydrophobicContact CD2-CE 3.75Å; L852-M867 HydrophobicContact CD2-SD 4.39Å; L852-I873 HydrophobicContact CD1-CD1 4.5Å; L852-L876 HydrophobicContact CD1-CD2 3.97Å
853L86.1Confident81.1Confident60 Ų6071.2 Ų71.231%0.31439%0.386SS..THydrogen-bonded Turntrans-69.2-8.3174.4-73.6172000114.4Q849 D850 F851 V858 C863Q849-L853 HydrophobicContact CG-CD1 3.92Å; Q849-L853 HydrophobicContact CG-CG 4.48Å; Q849-L853 WeakPolarHBondContact O-CB 3Å; Q849-L853 VanDerWaalsContact O-CG 3.26Å; Q849-L853 WeakPolarHBondContact O-CG 3.09Å; Q849-L853 PolarHBondContact O-N 2.9Å; D850-L853 PolarHBondContact O-N 2.88Å; F851-L853 PolarHBondContact O-N 3.01Å; L853-V858 HydrophobicContact CD2-CG1 4.5Å; L853-C863 HydrophobicContact CD2-CB 3.86Å
854K88.1Confident82.2Confident170 Ų17069 Ų6974%0.73937%0.374SS*.THydrogen-bonded Turntrans-96.1-5.2168-55.6-46173.5-166.20113.5D850 F851 L852D850-K854 WeakPolarHBondContact O-CG 3.46Å; D850-K854 PolarHBondContact O-N 3.19Å; F851-K854 PolarHBondContact O-N 2.91Å; F851-K854 VanDerWaalsContact O-N 3.11Å; L852-K854 PolarHBondContact O-N 3.4Å
855M88.3Confident83.1Confident18 Ų1868 Ų689%0.08938%0.376CS..SBendtrans-76136.6-179.3-67.3-167.3171.500112.3F851 L852 G857 V858 I873 L876 L897 F900F851-M855 HydrophobicContact CD1-CE 3.77Å; F851-M855 HydrophobicContact CE1-CE 3.31Å; F851-M855 HydrophobicContact CZ-CE 3.97Å; L852-M855 HydrophobicContact CD1-SD 3.96Å; L852-M855 WeakPolarHBondContact O-CB 3.43Å; L852-M855 PolarHBondContact O-N 3.38Å; M855-G857 PolarHBondContact O-N 3.44Å; M855-V858 HydrophobicContact CB-CB 4.48Å; M855-V858 HydrophobicContact CB-CG2 3.88Å; M855-V858 WeakPolarHBondContact O-CB 3.26Å; M855-V858 PolarHBondContact O-N 2.74Å; M855-V858 VanDerWaalsContact O-N 3.13Å; M855-I873 HydrophobicContact CE-CD1 3.89Å; M855-I873 HydrophobicContact CE-CG1 4.31Å; M855-L876 HydrophobicContact SD-CD2 4.21Å; M855-L897 HydrophobicContact CB-CD1 3.8Å; M855-L897 HydrophobicContact CG-CD1 4.37Å; M855-L897 HydrophobicContact SD-CD1 3.73Å; M855-F900 HydrophobicContact CG-CE1 4.32Å
856P88.3Confident83.8Confident43 Ų4362 Ų6228%0.27934%0.344SS..THydrogen-bonded Turntrans-53.9134172-2736.3000112.5V858 Q896 F900P856-V858 VanDerWaalsContact C-N 3.32Å; P856-V858 PolarHBondContact O-N 2.68Å; P856-Q896 HydrophobicContact CB-CG 3.78Å; P856-F900 HydrophobicContact CG-CB 4.25Å; P856-F900 HydrophobicContact CG-CD1 4.4Å; P856-F900 HydrophobicContact CG-CD2 3.89Å; P856-F900 HydrophobicContact CG-CE2 4.34Å; P856-F900 HydrophobicContact CG-CG 3.92Å
857G83.1Confident84.3Confident11 Ų1160.6 Ų60.611%0.11333%0.327CS..THydrogen-bonded Turntrans85.7-11.2-177.300000115.3M855 N862 N893M855-G857 PolarHBondContact O-N 3.44Å; G857-N862 PolarHBondContact O-ND2 3.04Å; G857-N893 WeakPolarHBondContact O-CB 3.44Å; G857-N893 PolarHBondContact O-ND2 2.92Å
858V86.8Confident84.5Confident14 Ų1464.9 Ų64.99%0.08533%0.334CS..  trans-89.3140.1175.9-176.50000111.3L852 L853 M855 P856 C863 L897L852-V858 HydrophobicContact CD1-CG2 4.03Å; L852-V858 HydrophobicContact CG-CG1 4.19Å; L852-V858 HydrophobicContact CG-CG2 4.48Å; L852-V858 WeakPolarHBondContact O-CB 3.3Å; L852-V858 WeakPolarHBondContact O-CG1 3.27Å; L853-V858 HydrophobicContact CD2-CG1 4.5Å; M855-V858 HydrophobicContact CB-CB 4.48Å; M855-V858 HydrophobicContact CB-CG2 3.88Å; M855-V858 WeakPolarHBondContact O-CB 3.26Å; M855-V858 PolarHBondContact O-N 2.74Å; M855-V858 VanDerWaalsContact O-N 3.13Å; P856-V858 VanDerWaalsContact C-N 3.32Å; P856-V858 PolarHBondContact O-N 2.68Å; V858-C863 HydrophobicContact CG1-CB 3.76Å; V858-L897 HydrophobicContact CG2-CD1 4.37Å; V858-L897 HydrophobicContact CG2-CD2 4.45Å
859N83.9Confident84.6Confident94 Ų9467.9 Ų67.950%0.50334%0.342SS..  trans-134160.8177.2-68.5-55.9000108.7K861 N862 C863 N893N859-K861 PolarHBondContact O-N 2.72Å; N859-N862 PolarHBondContact N-OD1 3.45Å; N859-N862 PolarHBondContact O-N 2.84Å; N859-N862 PolarHBondContact O-OD1 2.76Å; N859-C863 WeakPolarHBondContact O-CB 3.49Å; N859-C863 PolarHBondContact O-N 3.1Å; N859-N893 PolarHBondContact ND2-ND2 3.47Å
860A79.8Confident84.7Confident81 Ų8165.9 Ų65.967%0.66933%0.333SS*.Hα-helixtrans-51.2-36.117700000114
861K80.1Confident84.8Confident198 Ų19870 Ų7086%0.86135%0.346SS*.Hα-helixtrans-72.3-41.7-178.8-63.9-172.1178.1-174.70114.5N859N859-K861 PolarHBondContact O-N 2.72Å
862N84.6Confident84.8Confident16 Ų1669.2 Ų69.29%0.08635%0.348CS..Hα-helixtrans-93.7-15.2-178.268.5-1.3000112.7G857 N859 R864 S865 L866 L888G857-N862 PolarHBondContact O-ND2 3.04Å; N859-N862 PolarHBondContact N-OD1 3.45Å; N859-N862 PolarHBondContact O-N 2.84Å; N859-N862 PolarHBondContact O-OD1 2.76Å; N862-R864 VanDerWaalsContact C-N 3.32Å; N862-R864 PolarHBondContact O-N 3Å; N862-S865 PolarHBondContact O-N 2.74Å; N862-S865 PolarHBondContact O-OG 3.23Å; N862-S865 VanDerWaalsContact O-OG 3.06Å; N862-L866 WeakPolarHBondContact O-CB 3.47Å; N862-L866 PolarHBondContact O-N 2.84Å; N862-L888 HydrophobicContact CB-CD2 3.83Å
863C83.5Confident84.8Confident7 Ų773 Ų735%0.04737%0.367CS..Hα-helixtrans-55.8-45.1167.6-179.30000111.4L853 V858 N859 L866 M867L853-C863 HydrophobicContact CD2-CB 3.86Å; V858-C863 HydrophobicContact CG1-CB 3.76Å; N859-C863 WeakPolarHBondContact O-CB 3.49Å; N859-C863 PolarHBondContact O-N 3.1Å; C863-L866 PolarHBondContact O-N 2.83Å; C863-M867 VanDerWaalsContact O-CB 3.32Å; C863-M867 WeakPolarHBondContact O-CB 3.48Å; C863-M867 PolarHBondContact O-N 3.34Å
864R81.4Confident84.9Confident86 Ų8673.3 Ų73.333%0.32538%0.379SS..Hα-helixtrans-71-34.2-179.6-168.161.3164.8-140.6-7.1113.5E840 N862 H868E840-R864 PolarHBondContact O-NH1 2.92Å; E840-R864 PolarHBondContact O-NH2 3.29Å; E840-R864 IonicContact OE2-NH2 3.88Å; E840-R864 PolarHBondContact OE2-NH2 3.48Å; N862-R864 VanDerWaalsContact C-N 3.32Å; N862-R864 PolarHBondContact O-N 3Å; R864-H868 WeakPolarHBondContact O-CB 3.46Å; R864-H868 PolarHBondContact O-N 3.22Å
865S84Confident84.8Confident44 Ų4469 Ų6931%0.30836%0.361SS..Hα-helixtrans-69.2-41.6173.763.30000111.5N862 H868 H869 I887N862-S865 PolarHBondContact O-N 2.74Å; N862-S865 PolarHBondContact O-OG 3.23Å; N862-S865 VanDerWaalsContact O-OG 3.06Å; S865-H868 PolarHBondContact O-N 3.12Å; S865-H869 PolarHBondContact O-CD2 2.73Å; S865-H869 PolarHBondContact O-N 2.73Å; S865-H869 VanDerWaalsContact O-N 3.15Å; S865-I887 PolarHBondContact OG-O 3.37Å
866L86.2Confident84.8Confident4 Ų468.2 Ų68.22%0.02136%0.357CS..Hα-helixtrans-63.7-47.5175.7-169.7155.8000111.6L852 N862 C863 H868 H869 V870 L876 I887 L888 L897L852-L866 HydrophobicContact CD1-CD1 4.4Å; L852-L866 HydrophobicContact CD1-CD2 4.05Å; L852-L866 HydrophobicContact CD2-CD2 3.79Å; N862-L866 WeakPolarHBondContact O-CB 3.47Å; N862-L866 PolarHBondContact O-N 2.84Å; C863-L866 PolarHBondContact O-N 2.83Å; L866-H868 PolarHBondContact O-N 3.34Å; L866-H869 PolarHBondContact O-N 3Å; L866-V870 HydrophobicContact CD2-CB 4.35Å; L866-V870 HydrophobicContact CD2-CG2 4.09Å; L866-V870 HydrophobicContact CG-CG2 4.24Å; L866-V870 PolarHBondContact O-N 2.98Å; L866-L876 HydrophobicContact CD1-CD1 3.78Å; L866-L876 HydrophobicContact CD1-CD2 4.34Å; L866-L876 HydrophobicContact CD2-CD1 4.07Å; L866-L876 HydrophobicContact CD2-CD2 4.14Å; L866-L876 HydrophobicContact CG-CD1 4.2Å; L866-I887 HydrophobicContact CD1-CD1 4.41Å; L866-I887 HydrophobicContact CG-CD1 4.08Å; L866-L888 HydrophobicContact CB-CD2 4.34Å; L866-L888 HydrophobicContact CD1-CD2 3.86Å; L866-L888 HydrophobicContact CD1-CG 4.49Å; L866-L897 HydrophobicContact CD1-CD2 4.13Å
867M85.4Confident84.8Confident37 Ų3768.1 Ų68.118%0.18236%0.36CS..Hα-helixtrans-65.3-22.7179.8-160.275.583.800113.3Y844 P848 Q849 L852 C863Y844-M867 HydrophobicContact CD1-CB 4.49Å; Y844-M867 HydrophobicContact CD1-CG 3.38Å; Y844-M867 HydrophobicContact CD1-SD 4.5Å; Y844-M867 HydrophobicContact CE1-CB 4.35Å; Y844-M867 HydrophobicContact CE1-CG 3.59Å; Y844-M867 WeakPolarHBondContact CE1-O 3.05Å; Y844-M867 HydrophobicContact CG-CG 4.15Å; P848-M867 HydrophobicContact CB-CE 4.3Å; Q849-M867 HydrophobicContact CB-CE 4.01Å; L852-M867 HydrophobicContact CD2-CE 3.75Å; L852-M867 HydrophobicContact CD2-SD 4.39Å; C863-M867 VanDerWaalsContact O-CB 3.32Å; C863-M867 WeakPolarHBondContact O-CB 3.48Å; C863-M867 PolarHBondContact O-N 3.34Å
868H85.3Confident85.1Confident139 Ų13973 Ų7364%0.64439%0.388SS*.Hα-helixtrans-83-24172-168.4-62000112.7R864 S865 L866R864-H868 WeakPolarHBondContact O-CB 3.46Å; R864-H868 PolarHBondContact O-N 3.22Å; S865-H868 PolarHBondContact O-N 3.12Å; L866-H868 PolarHBondContact O-N 3.34Å
869H85.3Confident85.1Confident126 Ų12673.5 Ų73.558%0.58339%0.39SS*.Hα-helixtrans-95.5-19-177.9-90.5-69.4000114.9S865 L866 I887S865-H869 PolarHBondContact O-CD2 2.73Å; S865-H869 PolarHBondContact O-N 2.73Å; S865-H869 VanDerWaalsContact O-N 3.15Å; L866-H869 PolarHBondContact O-N 3Å; H869-I887 HydrophobicContact CB-CB 4.5Å; H869-I887 HydrophobicContact CB-CG2 4.06Å
870V84.6Confident85.5Confident14 Ų1471.3 Ų71.39%0.08538%0.382CS..  trans-123.4128.2-173.8-170.80000109.4L866 N872 E875 L876 L879 I887L866-V870 HydrophobicContact CD2-CB 4.35Å; L866-V870 HydrophobicContact CD2-CG2 4.09Å; L866-V870 HydrophobicContact CG-CG2 4.24Å; L866-V870 PolarHBondContact O-N 2.98Å; V870-N872 WeakPolarHBondContact CG1-O 3.34Å; V870-E875 HydrophobicContact CG1-CB 3.8Å; V870-E875 HydrophobicContact CG1-CG 3.91Å; V870-L876 HydrophobicContact CG1-CB 4.17Å; V870-L879 HydrophobicContact CG2-CD1 3.83Å; V870-I887 HydrophobicContact CG2-CD1 4.1Å
871K83.6Confident86Confident183 Ų18370.5 Ų70.580%0.79637%0.365SS*.SBendtrans-75.2-38.4-175.4-176.4179.7178.2-178.20112.6E875K871-E875 WeakPolarHBondContact CB-OE2 3.23Å; K871-E875 PolarHBondContact N-OE2 2.63Å
872N86.4Confident86.4Confident106 Ų10667 Ų6757%0.56736%0.355SS*.SBendtrans-143.2152.4-173.7-85.1-31.6000111.8V870 A874 E875 L876V870-N872 WeakPolarHBondContact CG1-O 3.34Å; N872-A874 PolarHBondContact O-N 2.8Å; N872-E875 WeakPolarHBondContact O-CB 3.33Å; N872-E875 PolarHBondContact O-N 2.6Å; N872-L876 PolarHBondContact O-N 3.32Å
873I86.2Confident86.5Confident81 Ų8171.9 Ų71.942%0.41538%0.376SS..Hα-helixtrans-63.8-24.7178.3-160.766.8000113.6F851 L852 M855 L876 A877F851-I873 HydrophobicContact CD1-CD1 4.38Å; F851-I873 HydrophobicContact CD1-CG1 4.18Å; F851-I873 HydrophobicContact CE1-CG1 4.06Å; L852-I873 HydrophobicContact CD1-CD1 4.5Å; M855-I873 HydrophobicContact CE-CD1 3.89Å; M855-I873 HydrophobicContact CE-CG1 4.31Å; I873-L876 HydrophobicContact CD1-CB 4.4Å; I873-L876 HydrophobicContact CD1-CD2 3.7Å; I873-L876 WeakPolarHBondContact O-CB 3.47Å; I873-L876 PolarHBondContact O-N 2.92Å; I873-A877 PolarHBondContact O-N 2.98Å
874A87.4Confident86.7Confident68 Ų6871.6 Ų71.656%0.56237%0.374SS*.Hα-helixtrans-66.8-39.817200000112.1N872 L876 A877 T878N872-A874 PolarHBondContact O-N 2.8Å; A874-L876 VanDerWaalsContact C-N 3.31Å; A874-L876 PolarHBondContact O-N 3.09Å; A874-A877 PolarHBondContact O-N 3.44Å; A874-A877 VanDerWaalsContact O-N 3.16Å; A874-T878 PolarHBondContact O-N 3.25Å
875E87.5Confident87.1Confident78 Ų7869.3 Ų69.336%0.36437%0.369SS..Hα-helixtrans-62.7-39.7175.8-177.8-177.4-162.300110.6V870 K871 N872 A877 T878 L879V870-E875 HydrophobicContact CG1-CB 3.8Å; V870-E875 HydrophobicContact CG1-CG 3.91Å; K871-E875 WeakPolarHBondContact CB-OE2 3.23Å; K871-E875 PolarHBondContact N-OE2 2.63Å; N872-E875 WeakPolarHBondContact O-CB 3.33Å; N872-E875 PolarHBondContact O-N 2.6Å; E875-A877 PolarHBondContact O-N 3.34Å; E875-T878 PolarHBondContact O-N 2.84Å; E875-T878 PolarHBondContact O-OG1 3.34Å; E875-L879 PolarHBondContact O-N 2.94Å
876L87.1Confident87.2Confident2 Ų271.5 Ų71.51%0.0139%0.385CS..Hα-helixtrans-54.7-38.1175.3-178.361.6000112.4L852 M855 L866 V870 N872 I873 A874 T878 L879 L884 L897 I901L852-L876 HydrophobicContact CD1-CD2 3.97Å; M855-L876 HydrophobicContact SD-CD2 4.21Å; L866-L876 HydrophobicContact CD1-CD1 3.78Å; L866-L876 HydrophobicContact CD1-CD2 4.34Å; L866-L876 HydrophobicContact CD2-CD1 4.07Å; L866-L876 HydrophobicContact CD2-CD2 4.14Å; L866-L876 HydrophobicContact CG-CD1 4.2Å; V870-L876 HydrophobicContact CG1-CB 4.17Å; N872-L876 PolarHBondContact O-N 3.32Å; I873-L876 HydrophobicContact CD1-CB 4.4Å; I873-L876 HydrophobicContact CD1-CD2 3.7Å; I873-L876 WeakPolarHBondContact O-CB 3.47Å; I873-L876 PolarHBondContact O-N 2.92Å; A874-L876 VanDerWaalsContact C-N 3.31Å; A874-L876 PolarHBondContact O-N 3.09Å; L876-T878 VanDerWaalsContact C-N 3.27Å; L876-T878 PolarHBondContact O-N 3.25Å; L876-L879 HydrophobicContact CD1-CD1 4.3Å; L876-L879 PolarHBondContact O-N 3.04Å; L876-L884 HydrophobicContact CD1-CD2 3.44Å; L876-L884 VanDerWaalsContact CD1-CD2 3.44Å; L876-L897 HydrophobicContact CD1-CD2 4.46Å; L876-I901 HydrophobicContact CG-CD1 4.27Å
877A87.9Confident87.2Confident41 Ų4172.5 Ų72.534%0.33939%0.39SS..Hα-helixtrans-71.5-19.8178.500000113.6I873 A874 E875 I901 H902I873-A877 PolarHBondContact O-N 2.98Å; A874-A877 PolarHBondContact O-N 3.44Å; A874-A877 VanDerWaalsContact O-N 3.16Å; E875-A877 PolarHBondContact O-N 3.34Å; A877-I901 HydrophobicContact CB-CG2 3.93Å; A877-H902 PolarHBondContact O-NE2 2.88Å
878T89.6Confident87.1Confident113 Ų11371.5 Ų71.569%0.69339%0.385SS*.Hα-helixtrans-90.1-6.6176.368.20000114.1A874 E875 L876A874-T878 PolarHBondContact O-N 3.25Å; E875-T878 PolarHBondContact O-N 2.84Å; E875-T878 PolarHBondContact O-OG1 3.34Å; L876-T878 VanDerWaalsContact C-N 3.27Å; L876-T878 PolarHBondContact O-N 3.25Å
879L87.6Confident87Confident25 Ų2568.3 Ų68.313%0.13139%0.39CS..  trans-79.6133.9-177-69.6178.8000112.5V870 E875 L876 K883 L884 I887V870-L879 HydrophobicContact CG2-CD1 3.83Å; E875-L879 PolarHBondContact O-N 2.94Å; L876-L879 HydrophobicContact CD1-CD1 4.3Å; L876-L879 PolarHBondContact O-N 3.04Å; L879-K883 HydrophobicContact CD2-CB 4.37Å; L879-K883 HydrophobicContact CD2-CD 3.82Å; L879-L884 HydrophobicContact CB-CD2 3.97Å; L879-L884 HydrophobicContact CB-CG 4.12Å; L879-L884 HydrophobicContact CD1-CD2 4.12Å; L879-I887 HydrophobicContact CD1-CD1 4.22Å
880S91.5Very high87.1Confident49 Ų4965.5 Ų65.534%0.34338%0.38SS..  trans-67152.7172.665.80000112.2D882 K883 L884S880-D882 PolarHBondContact O-N 3.43Å; S880-D882 VanDerWaalsContact O-N 3.12Å; S880-K883 PolarHBondContact O-N 3.12Å; S880-L884 PolarHBondContact O-N 3.07Å
881Q90Very high87.3Confident63 Ų6367.5 Ų67.529%0.29440%0.398SS..Hα-helixtrans-53.4-33.7179.3-166.7-168.5-35.700113T885 Y898Q881-T885 WeakPolarHBondContact O-CB 3.21Å; Q881-T885 PolarHBondContact O-N 2.98Å; Q881-T885 PolarHBondContact O-OG1 3.02Å; Q881-Y898 HydrophobicContact CB-CD1 4.27Å; Q881-Y898 HydrophobicContact CB-CD2 4.1Å; Q881-Y898 HydrophobicContact CB-CE2 4.44Å; Q881-Y898 HydrophobicContact CB-CG 4Å; Q881-Y898 HydrophobicContact CG-CG 4.28Å
882D88.8Confident87.5Confident125 Ų12561.9 Ų61.967%0.66839%0.385SS*.Hα-helixtrans-69.6-41.9178-52-55.1000112.1S880 T885 S886S880-D882 PolarHBondContact O-N 3.43Å; S880-D882 VanDerWaalsContact O-N 3.12Å; D882-T885 WeakPolarHBondContact O-CB 3.33Å; D882-T885 PolarHBondContact O-N 3.49Å; D882-S886 PolarHBondContact O-N 3.32Å
883K86.8Confident87.6Confident119 Ų11958.2 Ų58.252%0.51737%0.366SS..Hα-helixtrans-63.7-45.1174.2-71-177179.8-179.20110.5L879 S880 T885 S886 I887L879-K883 HydrophobicContact CD2-CB 4.37Å; L879-K883 HydrophobicContact CD2-CD 3.82Å; S880-K883 PolarHBondContact O-N 3.12Å; K883-T885 VanDerWaalsContact C-N 3.28Å; K883-T885 PolarHBondContact O-N 3.34Å; K883-S886 PolarHBondContact O-N 2.91Å; K883-S886 VanDerWaalsContact O-N 3.15Å; K883-S886 PolarHBondContact O-OG 3.21Å; K883-I887 PolarHBondContact O-N 3.27Å; K883-I887 VanDerWaalsContact O-N 3.11Å
884L87.8Confident87.6Confident0 Ų054.4 Ų54.40%035%0.346CS..Hα-helixtrans-57.3-41.1172.6-65.7176.2000111.8L876 L879 S880 S886 I887 L888 A894 L897 Y898L876-L884 HydrophobicContact CD1-CD2 3.44Å; L876-L884 VanDerWaalsContact CD1-CD2 3.44Å; L879-L884 HydrophobicContact CB-CD2 3.97Å; L879-L884 HydrophobicContact CB-CG 4.12Å; L879-L884 HydrophobicContact CD1-CD2 4.12Å; S880-L884 PolarHBondContact O-N 3.07Å; L884-S886 PolarHBondContact O-N 3.47Å; L884-I887 HydrophobicContact CD2-CD1 4.32Å; L884-I887 PolarHBondContact O-N 2.86Å; L884-L888 VanDerWaalsContact O-CB 3.25Å; L884-L888 WeakPolarHBondContact O-CB 3.34Å; L884-L888 VanDerWaalsContact O-CG 3.28Å; L884-L888 WeakPolarHBondContact O-CG 3.48Å; L884-L888 PolarHBondContact O-N 3.1Å; L884-A894 HydrophobicContact CB-CB 3.95Å; L884-L897 HydrophobicContact CD2-CD2 4.4Å; L884-Y898 HydrophobicContact CD1-CD2 3.8Å; L884-Y898 HydrophobicContact CD1-CG 4.33Å
885T90.5Very high87.8Confident38 Ų3856 Ų5623%0.23334%0.34CS..Hα-helixtrans-63.4-41.2176.9-60.90000111.5Q881 D882 K883 G889 A891 A894Q881-T885 WeakPolarHBondContact O-CB 3.21Å; Q881-T885 PolarHBondContact O-N 2.98Å; Q881-T885 PolarHBondContact O-OG1 3.02Å; D882-T885 WeakPolarHBondContact O-CB 3.33Å; D882-T885 PolarHBondContact O-N 3.49Å; K883-T885 VanDerWaalsContact C-N 3.28Å; K883-T885 PolarHBondContact O-N 3.34Å; T885-G889 PolarHBondContact O-N 3.39Å; T885-A891 HydrophobicContact CG2-CB 3.85Å; T885-A894 WeakPolarHBondContact OG1-CB 3.36Å
886S86.8Confident87.9Confident90 Ų9057.2 Ų57.263%0.62935%0.346SS*.Hα-helixtrans-67-39.2178.769.60000113.8D882 K883 L884D882-S886 PolarHBondContact O-N 3.32Å; K883-S886 PolarHBondContact O-N 2.91Å; K883-S886 VanDerWaalsContact O-N 3.15Å; K883-S886 PolarHBondContact O-OG 3.21Å; L884-S886 PolarHBondContact O-N 3.47Å
887I85.5Confident88.1Confident26 Ų2657.1 Ų57.113%0.13335%0.345CS..Hα-helixtrans-83.5-22.7-178.867.7-177.8000114S865 L866 H869 V870 L879 K883 L884S865-I887 PolarHBondContact OG-O 3.37Å; L866-I887 HydrophobicContact CD1-CD1 4.41Å; L866-I887 HydrophobicContact CG-CD1 4.08Å; H869-I887 HydrophobicContact CB-CB 4.5Å; H869-I887 HydrophobicContact CB-CG2 4.06Å; V870-I887 HydrophobicContact CG2-CD1 4.1Å; L879-I887 HydrophobicContact CD1-CD1 4.22Å; K883-I887 PolarHBondContact O-N 3.27Å; K883-I887 VanDerWaalsContact O-N 3.11Å; L884-I887 HydrophobicContact CD2-CD1 4.32Å; L884-I887 PolarHBondContact O-N 2.86Å
888L83.9Confident88.2Confident15 Ų1558.5 Ų58.58%0.07934%0.342CS..Hα-helixtrans-95-14.9177.5-65.3173.5000113.5N862 L866 L884 N890 A894 L897N862-L888 HydrophobicContact CB-CD2 3.83Å; L866-L888 HydrophobicContact CB-CD2 4.34Å; L866-L888 HydrophobicContact CD1-CD2 3.86Å; L866-L888 HydrophobicContact CD1-CG 4.49Å; L884-L888 VanDerWaalsContact O-CB 3.25Å; L884-L888 WeakPolarHBondContact O-CB 3.34Å; L884-L888 VanDerWaalsContact O-CG 3.28Å; L884-L888 WeakPolarHBondContact O-CG 3.48Å; L884-L888 PolarHBondContact O-N 3.1Å; L888-N890 PolarHBondContact O-N 3.28Å; L888-N890 VanDerWaalsContact O-N 3.16Å; L888-A894 HydrophobicContact CD1-CB 3.97Å; L888-L897 HydrophobicContact CD1-CD2 3.95Å
889G82.4Confident88.3Confident73 Ų7356.3 Ų56.375%0.75333%0.326SS*.SBendtrans65.910-178.600000115.2T885T885-G889 PolarHBondContact O-N 3.39Å
890N87.9Confident88.4Confident67 Ų6760.6 Ų60.636%0.35834%0.344SS..  trans-150.4113.3-175177.4-8.7000111.2L888 A892 N893 A894L888-N890 PolarHBondContact O-N 3.28Å; L888-N890 VanDerWaalsContact O-N 3.16Å; N890-A892 VanDerWaalsContact C-N 3.34Å; N890-A892 PolarHBondContact O-N 2.97Å; N890-A892 WeakPolarHBondContact OD1-CB 3.28Å; N890-A892 PolarHBondContact OD1-N 3.2Å; N890-N893 HydrophobicContact CB-CB 4.29Å; N890-N893 PolarHBondContact ND2-OD1 3.48Å; N890-N893 PolarHBondContact O-N 3.35Å; N890-N893 PolarHBondContact OD1-N 3.1Å; N890-A894 WeakPolarHBondContact O-CB 3.45Å; N890-A894 PolarHBondContact O-N 3.14Å
891A87.4Confident88.3Confident56 Ų5660.7 Ų60.746%0.46334%0.34SS..Hα-helixtrans-64.5-30.9-178.300000114.2T885 K895T885-A891 HydrophobicContact CG2-CB 3.85Å; A891-K895 VanDerWaalsContact O-CB 3.26Å; A891-K895 WeakPolarHBondContact O-CB 3.48Å; A891-K895 PolarHBondContact O-N 2.98Å
892A88.6Confident88.2Confident65 Ų6562.2 Ų62.254%0.53735%0.347SS..Hα-helixtrans-69.6-45.2178.900000111.1N890 K895 Q896N890-A892 VanDerWaalsContact C-N 3.34Å; N890-A892 PolarHBondContact O-N 2.97Å; N890-A892 WeakPolarHBondContact OD1-CB 3.28Å; N890-A892 PolarHBondContact OD1-N 3.2Å; A892-K895 PolarHBondContact O-N 2.96Å; A892-Q896 WeakPolarHBondContact O-CB 3.2Å; A892-Q896 PolarHBondContact O-N 3.21Å
893N87.4Confident88.3Confident29 Ų2958.6 Ų58.616%0.15533%0.33CS..Hα-helixtrans-67.6-42.9176.9-72.940.7000111.5G857 N859 N890 K895 Q896 L897G857-N893 WeakPolarHBondContact O-CB 3.44Å; G857-N893 PolarHBondContact O-ND2 2.92Å; N859-N893 PolarHBondContact ND2-ND2 3.47Å; N890-N893 HydrophobicContact CB-CB 4.29Å; N890-N893 PolarHBondContact ND2-OD1 3.48Å; N890-N893 PolarHBondContact O-N 3.35Å; N890-N893 PolarHBondContact OD1-N 3.1Å; N893-K895 PolarHBondContact O-N 3.28Å; N893-Q896 PolarHBondContact O-N 3.24Å; N893-L897 WeakPolarHBondContact O-CB 3.41Å; N893-L897 PolarHBondContact O-N 3.28Å
894A88.1Confident88.2Confident0 Ų056.2 Ų56.20%033%0.328CS..Hα-helixtrans-62.1-41.1176.200000112.4L884 T885 L888 N890 Y898L884-A894 HydrophobicContact CB-CB 3.95Å; T885-A894 WeakPolarHBondContact OG1-CB 3.36Å; L888-A894 HydrophobicContact CD1-CB 3.97Å; N890-A894 WeakPolarHBondContact O-CB 3.45Å; N890-A894 PolarHBondContact O-N 3.14Å; A894-Y898 VanDerWaalsContact O-CB 3.31Å; A894-Y898 WeakPolarHBondContact O-CB 3.37Å; A894-Y898 PolarHBondContact O-N 3.27Å
895K90.4Very high87.6Confident101 Ų10161.8 Ų61.844%0.43935%0.35SS..Hα-helixtrans-63.3-47.5172.4-177170.7179.81740111.8A891 A892 N893 L897 Y898 D899A891-K895 VanDerWaalsContact O-CB 3.26Å; A891-K895 WeakPolarHBondContact O-CB 3.48Å; A891-K895 PolarHBondContact O-N 2.98Å; A892-K895 PolarHBondContact O-N 2.96Å; N893-K895 PolarHBondContact O-N 3.28Å; K895-L897 VanDerWaalsContact C-N 3.26Å; K895-L897 PolarHBondContact O-N 3.46Å; K895-Y898 PolarHBondContact O-N 3.32Å; K895-D899 WeakPolarHBondContact CE-OD2 3.47Å; K895-D899 WeakPolarHBondContact CG-OD2 3.2Å; K895-D899 VanDerWaalsContact O-CB 3.31Å; K895-D899 WeakPolarHBondContact O-CB 3.3Å; K895-D899 VanDerWaalsContact O-CG 3.27Å; K895-D899 PolarHBondContact O-N 3.2Å
896Q90.2Very high86.7Confident104 Ų10463.2 Ų63.249%0.48637%0.365SS..Hα-helixtrans-59.7-37.7-179.7-166.3-176.810.300112.3P856 A892 N893 F900P856-Q896 HydrophobicContact CB-CG 3.78Å; A892-Q896 WeakPolarHBondContact O-CB 3.2Å; A892-Q896 PolarHBondContact O-N 3.21Å; N893-Q896 PolarHBondContact O-N 3.24Å; Q896-F900 VanDerWaalsContact O-CB 3.25Å; Q896-F900 WeakPolarHBondContact O-CB 3.15Å; Q896-F900 PolarHBondContact O-N 3.28Å; Q896-F900 VanDerWaalsContact O-N 3.11Å
897L90.1Very high85.9Confident0 Ų063.2 Ų63.20%036%0.356CS..Hα-helixtrans-68.9-46.7174.6-177.862.5000112M855 V858 L866 L876 L884 L888 N893 K895 F900 I901M855-L897 HydrophobicContact CB-CD1 3.8Å; M855-L897 HydrophobicContact CG-CD1 4.37Å; M855-L897 HydrophobicContact SD-CD1 3.73Å; V858-L897 HydrophobicContact CG2-CD1 4.37Å; V858-L897 HydrophobicContact CG2-CD2 4.45Å; L866-L897 HydrophobicContact CD1-CD2 4.13Å; L876-L897 HydrophobicContact CD1-CD2 4.46Å; L884-L897 HydrophobicContact CD2-CD2 4.4Å; L888-L897 HydrophobicContact CD1-CD2 3.95Å; N893-L897 WeakPolarHBondContact O-CB 3.41Å; N893-L897 PolarHBondContact O-N 3.28Å; K895-L897 VanDerWaalsContact C-N 3.26Å; K895-L897 PolarHBondContact O-N 3.46Å; L897-F900 PolarHBondContact O-N 3.24Å; L897-I901 HydrophobicContact CD1-CD1 4.06Å; L897-I901 HydrophobicContact CG-CD1 4.03Å; L897-I901 WeakPolarHBondContact O-CG1 3.31Å; L897-I901 PolarHBondContact O-N 3.33Å
898Y91.3Very high85Confident70 Ų7065.6 Ų65.628%0.27537%0.371SS..Hα-helixtrans-63.1-47.1179-173.9-94.2000112.1Q881 L884 A894 K895 F900 I901 H902Q881-Y898 HydrophobicContact CB-CD1 4.27Å; Q881-Y898 HydrophobicContact CB-CD2 4.1Å; Q881-Y898 HydrophobicContact CB-CE2 4.44Å; Q881-Y898 HydrophobicContact CB-CG 4Å; Q881-Y898 HydrophobicContact CG-CG 4.28Å; L884-Y898 HydrophobicContact CD1-CD2 3.8Å; L884-Y898 HydrophobicContact CD1-CG 4.33Å; A894-Y898 VanDerWaalsContact O-CB 3.31Å; A894-Y898 WeakPolarHBondContact O-CB 3.37Å; A894-Y898 PolarHBondContact O-N 3.27Å; K895-Y898 PolarHBondContact O-N 3.32Å; Y898-F900 VanDerWaalsContact C-N 3.31Å; Y898-F900 PolarHBondContact O-N 3Å; Y898-I901 PolarHBondContact O-N 2.96Å; Y898-H902 AromaticContact CD2-CE1 3.55Å; Y898-H902 AromaticContact CD2-ND1 3.59Å; Y898-H902 AromaticContact CE1-ND1 3.98Å; Y898-H902 AromaticContact CE2-CE1 3.27Å; Y898-H902 WeakPolarHBondContact CE2-CE1 3.42Å; Y898-H902 AromaticContact CE2-ND1 3.55Å; Y898-H902 AromaticContact CE2-NE2 3.95Å; Y898-H902 AromaticContact CG-ND1 3.85Å; Y898-H902 AromaticContact CZ-CE1 3.78Å; Y898-H902 AromaticContact CZ-ND1 3.75Å; Y898-H902 PolarHBondContact O-N 2.65Å; Y898-H902 PolarHBondContact O-ND1 3.46Å
899D90.4Very high83.9Confident67 Ų6768.6 Ų68.636%0.35839%0.387SS..Hα-helixtrans-58.9-41.9175.4-71.9-8.3000110.5K895 T903K895-D899 WeakPolarHBondContact CE-OD2 3.47Å; K895-D899 WeakPolarHBondContact CG-OD2 3.2Å; K895-D899 VanDerWaalsContact O-CB 3.31Å; K895-D899 WeakPolarHBondContact O-CB 3.3Å; K895-D899 VanDerWaalsContact O-CG 3.27Å; K895-D899 PolarHBondContact O-N 3.2Å; D899-T903 VanDerWaalsContact O-CB 3.25Å; D899-T903 WeakPolarHBondContact O-CB 3.49Å; D899-T903 PolarHBondContact O-N 2.85Å; D899-T903 PolarHBondContact O-OG1 3.24Å
900F90.5Very high82.8Confident115 Ų11568.9 Ų68.950%0.50438%0.378SS..Hα-helixtrans-63.8-41.8177.5170.6-105.3000113M855 P856 Q896 L897 Y898M855-F900 HydrophobicContact CG-CE1 4.32Å; P856-F900 HydrophobicContact CG-CB 4.25Å; P856-F900 HydrophobicContact CG-CD1 4.4Å; P856-F900 HydrophobicContact CG-CD2 3.89Å; P856-F900 HydrophobicContact CG-CE2 4.34Å; P856-F900 HydrophobicContact CG-CG 3.92Å; Q896-F900 VanDerWaalsContact O-CB 3.25Å; Q896-F900 WeakPolarHBondContact O-CB 3.15Å; Q896-F900 PolarHBondContact O-N 3.28Å; Q896-F900 VanDerWaalsContact O-N 3.11Å; L897-F900 PolarHBondContact O-N 3.24Å; Y898-F900 VanDerWaalsContact C-N 3.31Å; Y898-F900 PolarHBondContact O-N 3Å
901I89.4Confident81.3Confident52 Ų5271.6 Ų71.627%0.26739%0.386SS..Hα-helixtrans-69.7-38.9-180-69.4167.3000111.7L876 A877 L897 Y898L876-I901 HydrophobicContact CG-CD1 4.27Å; A877-I901 HydrophobicContact CB-CG2 3.93Å; L897-I901 HydrophobicContact CD1-CD1 4.06Å; L897-I901 HydrophobicContact CG-CD1 4.03Å; L897-I901 WeakPolarHBondContact O-CG1 3.31Å; L897-I901 PolarHBondContact O-N 3.33Å; Y898-I901 PolarHBondContact O-N 2.96Å
902H89Confident79.4Confident94 Ų9471 Ų7144%0.43539%0.386SS..Hα-helixtrans-99.2-9.6-169.6-65.487.8000115.3A877 Y898 S904A877-H902 PolarHBondContact O-NE2 2.88Å; Y898-H902 AromaticContact CD2-CE1 3.55Å; Y898-H902 AromaticContact CD2-ND1 3.59Å; Y898-H902 AromaticContact CE1-ND1 3.98Å; Y898-H902 AromaticContact CE2-CE1 3.27Å; Y898-H902 WeakPolarHBondContact CE2-CE1 3.42Å; Y898-H902 AromaticContact CE2-ND1 3.55Å; Y898-H902 AromaticContact CE2-NE2 3.95Å; Y898-H902 AromaticContact CG-ND1 3.85Å; Y898-H902 AromaticContact CZ-CE1 3.78Å; Y898-H902 AromaticContact CZ-ND1 3.75Å; Y898-H902 PolarHBondContact O-N 2.65Å; Y898-H902 PolarHBondContact O-ND1 3.46Å; H902-S904 PolarHBondContact O-N 2.91Å
903T89.8Confident77.4Confident50 Ų5076.6 Ų76.631%0.30740%0.398SS..  trans-74.3121.5-178-64.50000112.2D899 E907 V908D899-T903 VanDerWaalsContact O-CB 3.25Å; D899-T903 WeakPolarHBondContact O-CB 3.49Å; D899-T903 PolarHBondContact O-N 2.85Å; D899-T903 PolarHBondContact O-OG1 3.24Å; T903-E907 HydrophobicContact CG2-CB 4.08Å; T903-V908 HydrophobicContact CG2-CG2 3.69Å
904S84.9Confident75Confident68 Ų6878.4 Ų78.448%0.47642%0.423SS..  trans-67.4140.2171.7178.30000112.5H902 A906 E907 V908H902-S904 PolarHBondContact O-N 2.91Å; S904-A906 PolarHBondContact O-N 3.28Å; S904-A906 VanDerWaalsContact O-N 3.11Å; S904-E907 WeakPolarHBondContact O-CB 3.39Å; S904-E907 PolarHBondContact O-N 2.94Å; S904-V908 PolarHBondContact O-N 2.98Å
905Y75.4Confident72.8Confident117 Ų11787.7 Ų87.746%0.45946%0.464SS..Hα-helixtrans-54.1-32.8179.4179.6-112.8000113.7E907 V908 L909Y905-E907 VanDerWaalsContact C-N 3.28Å; Y905-E907 PolarHBondContact O-N 3.17Å; Y905-V908 PolarHBondContact O-N 2.95Å; Y905-V908 VanDerWaalsContact O-N 3.17Å; Y905-L909 HydrophobicContact CD1-CD1 4.08Å; Y905-L909 HydrophobicContact CE1-CD1 3.52Å; Y905-L909 HydrophobicContact CE1-CG 4.06Å; Y905-L909 HydrophobicContact CE2-CD2 4.49Å; Y905-L909 HydrophobicContact CE2-CG 4.33Å; Y905-L909 PolarHBondContact O-N 2.83Å; Y905-L909 VanDerWaalsContact O-N 3.08Å
906A71.5Confident70Confident68 Ų6895.7 Ų95.756%0.56250%0.498SS*.Hα-helixtrans-61.7-35176.100000112.6S904 S910S904-A906 PolarHBondContact O-N 3.28Å; S904-A906 VanDerWaalsContact O-N 3.11Å; A906-S910 PolarHBondContact O-N 3.26Å
907E69.9Low69Low90 Ų9095.3 Ų95.342%0.42150%0.499SS..Hα-helixtrans-74.8-33.6174.9-62.3-172.5-158.100112.6T903 S904 Y905 L909 S910 K911T903-E907 HydrophobicContact CG2-CB 4.08Å; S904-E907 WeakPolarHBondContact O-CB 3.39Å; S904-E907 PolarHBondContact O-N 2.94Å; Y905-E907 VanDerWaalsContact C-N 3.28Å; Y905-E907 PolarHBondContact O-N 3.17Å; E907-L909 VanDerWaalsContact C-N 3.29Å; E907-L909 PolarHBondContact O-N 3.31Å; E907-S910 PolarHBondContact O-N 3.44Å; E907-S910 PolarHBondContact O-OG 3.02Å; E907-S910 VanDerWaalsContact O-OG 3.04Å; E907-K911 HydrophobicContact CB-CD 4.4Å; E907-K911 VanDerWaalsContact O-CB 3.26Å; E907-K911 WeakPolarHBondContact O-CB 3.27Å; E907-K911 WeakPolarHBondContact O-CD 3.32Å; E907-K911 WeakPolarHBondContact O-CG 3.46Å; E907-K911 PolarHBondContact O-N 2.79Å; E907-K911 IonicContact OE2-NZ 2.83Å; E907-K911 PolarHBondContact OE2-NZ 3.14Å
908V65.8Low67.9Low77 Ų77100.3 Ų100.347%0.46753%0.525SS..Hα-helixtrans-62.1-41.9174.7-173.70000109.9T903 S904 Y905 G912T903-V908 HydrophobicContact CG2-CG2 3.69Å; S904-V908 PolarHBondContact O-N 2.98Å; Y905-V908 PolarHBondContact O-N 2.95Å; Y905-V908 VanDerWaalsContact O-N 3.17Å; V908-G912 PolarHBondContact O-N 2.89Å
909L61.6Low66.6Low78 Ų78101.9 Ų101.941%0.40854%0.539SS..Hα-helixtrans-66.6-37.5176.4-72.5178.6000113.4Y905 E907 K913Y905-L909 HydrophobicContact CD1-CD1 4.08Å; Y905-L909 HydrophobicContact CE1-CD1 3.52Å; Y905-L909 HydrophobicContact CE1-CG 4.06Å; Y905-L909 HydrophobicContact CE2-CD2 4.49Å; Y905-L909 HydrophobicContact CE2-CG 4.33Å; Y905-L909 PolarHBondContact O-N 2.83Å; Y905-L909 VanDerWaalsContact O-N 3.08Å; E907-L909 VanDerWaalsContact C-N 3.29Å; E907-L909 PolarHBondContact O-N 3.31Å; L909-K913 WeakPolarHBondContact O-CG 3.44Å; L909-K913 PolarHBondContact O-N 3.05Å
910S60.1Low65.2Low79 Ų79104 Ų10455%0.55255%0.55SS*.Hα-helixtrans-72-44.8176.866.50000111.8A906 E907 G912 K913A906-S910 PolarHBondContact O-N 3.26Å; E907-S910 PolarHBondContact O-N 3.44Å; E907-S910 PolarHBondContact O-OG 3.02Å; E907-S910 VanDerWaalsContact O-OG 3.04Å; S910-G912 VanDerWaalsContact C-N 3.32Å; S910-G912 PolarHBondContact O-N 3.09Å; S910-K913 PolarHBondContact O-N 3.29Å
911K55.8Low63.6Low123 Ų123103.3 Ų103.354%0.53555%0.553SS.*Hα-helixtrans-61.6-38.4174.5-68.9161.8-179.4162.20111.5E907 G914E907-K911 HydrophobicContact CB-CD 4.4Å; E907-K911 VanDerWaalsContact O-CB 3.26Å; E907-K911 WeakPolarHBondContact O-CB 3.27Å; E907-K911 WeakPolarHBondContact O-CD 3.32Å; E907-K911 WeakPolarHBondContact O-CG 3.46Å; E907-K911 PolarHBondContact O-N 2.79Å; E907-K911 IonicContact OE2-NZ 2.83Å; E907-K911 PolarHBondContact OE2-NZ 3.14Å; K911-G914 PolarHBondContact O-N 3.4Å
912G47.5Very low61.8Low44 Ų44106.7 Ų106.745%0.45457%0.572SS.*Hα-helixtrans-68.5-31.717900000114.8V908 S910 G914 K915V908-G912 PolarHBondContact O-N 2.89Å; S910-G912 VanDerWaalsContact C-N 3.32Å; S910-G912 PolarHBondContact O-N 3.09Å; G912-G914 PolarHBondContact O-N 3.11Å; G912-K915 PolarHBondContact O-N 2.81Å
913K46.7Very low59.9Low183 Ų183107.6 Ų107.680%0.79658%0.581SS**Hα-helixtrans-70-16.7174.9-77.3-179.7178.9-1790113.8L909 S910L909-K913 WeakPolarHBondContact O-CG 3.44Å; L909-K913 PolarHBondContact O-N 3.05Å; S910-K913 PolarHBondContact O-N 3.29Å
914G37.1Very low57.6Low67 Ų67112.1 Ų112.169%0.69160%0.602SS**THydrogen-bonded Turntrans-87.78.5175.800000115.4K911 G912K911-G914 PolarHBondContact O-N 3.4Å; G912-G914 PolarHBondContact O-N 3.11Å
915K40.7Very low55.3Low195 Ų195115.8 Ų115.885%0.84861%0.613SS**  trans-138.140.6-178.8-74.3-167.8172.3-174.70113.3G912G912-K915 PolarHBondContact O-N 2.81Å
916K32Very low53.5Low268 Ų268115.6 Ų115.6100%1.16563%0.627SS**  trans-122.90163.5-84.9-167170.7-172.20109.4

Retrieved 916 of 916 residues in 206.2 ms (Link to these results)

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