A0A087YAS0_POEFO Loading...

E3 ubiquitin-protein ligase CHIP

AlphaFold DB , UniProt , Accession A0A087YAS0, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 284 aa.

Structure Viewer
Loading PAE data...
(Predicted Aligned Error values between residue pairs)
Error loading PAE data: please refresh the page.

 

Download Structure   PDB   PAE   Table  
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
1M38.4Very low57.7Low248 Ų248113.5 Ų113.5100%1.22269%0.685SS**  098.10-67.5-176.3-169.700107.3G3M1-G3 PolarHBondContact O-N 3.48Å
2A37.7Very low60.5Low102 Ų102111 Ų11184%0.84366%0.661SS**  trans-81110.4175.900000107.6S4A2-S4 PolarHBondContact O-N 3.41Å
3G42.8Very low63.1Low75 Ų75109.5 Ų109.577%0.77364%0.643SS**  trans-64.2114.5168.800000108.4M1M1-G3 PolarHBondContact O-N 3.48Å
4S40.5Very low65.4Low107 Ų107102.6 Ų102.675%0.74860%0.602SS**  trans-51.8126.8170.8-45.10000108.8A2 E6A2-S4 PolarHBondContact O-N 3.41Å; S4-E6 PolarHBondContact O-N 3.27Å
5P45.1Very low67.3Low121 Ų12198.3 Ų98.379%0.78657%0.572SS**  trans-63.9112.8170.624.3-28.9000107.1K7P5-K7 PolarHBondContact O-N 3.44Å
6E51.6Low69.1Low185 Ų18597.8 Ų97.886%0.86456%0.563SS**  trans-52.6110.2166.4-77.9-170.9158.500106.7S4 S8S4-E6 PolarHBondContact O-N 3.27Å; E6-S8 VanDerWaalsContact C-N 3.31Å; E6-S8 PolarHBondContact O-N 2.87Å
7K55.8Low70.7Confident199 Ų19996.5 Ų96.587%0.86555%0.551SS**  trans-57.3101.5171.2-79.5-178.7176.3-179.40106.3P5 S9P5-K7 PolarHBondContact O-N 3.44Å; K7-S9 PolarHBondContact O-N 3.41Å
8S64.2Low72.1Confident73 Ų7391.2 Ų91.251%0.5152%0.52SS..  trans-58.3107.3176.4170.70000107.8E6 T10 R40E6-S8 VanDerWaalsContact C-N 3.31Å; E6-S8 PolarHBondContact O-N 2.87Å; S8-T10 PolarHBondContact O-N 3.02Å; S8-R40 PolarHBondContact OG-NH2 2.89Å
9S77.6Confident73.3Confident52 Ų5289.6 Ų89.636%0.36451%0.51SS..  trans-58.6137.1-178.8-56.60000110.3K7 E13K7-S9 PolarHBondContact O-N 3.41Å; S9-E13 WeakPolarHBondContact CA-OE2 3.3Å; S9-E13 WeakPolarHBondContact CB-OE2 3.3Å
10T91.1Very high74.5Confident73 Ų7393.3 Ų93.345%0.44852%0.516SS..  trans-68.4158.2-179.165.30000110.7S8 Q12 E13 L14S8-T10 PolarHBondContact O-N 3.02Å; T10-Q12 PolarHBondContact O-N 2.61Å; T10-E13 PolarHBondContact N-OE2 3.27Å; T10-E13 PolarHBondContact O-N 2.87Å; T10-E13 VanDerWaalsContact O-N 3.11Å; T10-E13 VanDerWaalsContact OG1-CG 3.26Å; T10-E13 WeakPolarHBondContact OG1-CG 3.31Å; T10-E13 PolarHBondContact OG1-N 2.95Å; T10-L14 WeakPolarHBondContact O-CG 3.09Å; T10-L14 PolarHBondContact O-N 3.43Å
11A90.1Very high75.6Confident14 Ų1490.2 Ų90.212%0.11650%0.498CS..Hα-helixtrans-56.1-34.417700000112.2K15 R40 N41 Y47A11-K15 PolarHBondContact O-N 3.27Å; A11-R40 HydrophobicContact CB-CB 3.95Å; A11-N41 HydrophobicContact CB-CB 4.07Å; A11-Y47 HydrophobicContact CB-CE2 4.14Å
12Q91.3Very high78.3Confident83 Ų8380.6 Ų80.639%0.38845%0.45SS..Hα-helixtrans-67.6-45.7175.8178.768.410.400112.4T10 L14 K15 E16T10-Q12 PolarHBondContact O-N 2.61Å; Q12-L14 VanDerWaalsContact C-N 3.3Å; Q12-L14 PolarHBondContact O-N 2.68Å; Q12-K15 WeakPolarHBondContact O-CB 3.37Å; Q12-K15 PolarHBondContact O-N 2.85Å; Q12-E16 PolarHBondContact NE2-OE1 3.46Å; Q12-E16 WeakPolarHBondContact O-CG 3.2Å; Q12-E16 PolarHBondContact O-N 3.46Å
13E93.6Very high81.1Confident92 Ų9282.5 Ų82.543%0.4345%0.445SS..Hα-helixtrans-61.9-39.1175.8-73.8165.2-174.100111.6S9 T10 E16 Q17S9-E13 WeakPolarHBondContact CA-OE2 3.3Å; S9-E13 WeakPolarHBondContact CB-OE2 3.3Å; T10-E13 PolarHBondContact N-OE2 3.27Å; T10-E13 PolarHBondContact O-N 2.87Å; T10-E13 VanDerWaalsContact O-N 3.11Å; T10-E13 VanDerWaalsContact OG1-CG 3.26Å; T10-E13 WeakPolarHBondContact OG1-CG 3.31Å; T10-E13 PolarHBondContact OG1-N 2.95Å; E13-E16 PolarHBondContact O-N 3.45Å; E13-Q17 WeakPolarHBondContact O-CB 3.46Å; E13-Q17 PolarHBondContact O-N 2.9Å
14L95Very high83.7Confident13 Ų1383.1 Ų83.17%0.06844%0.436CS..Hα-helixtrans-64.5-39.1175.7-71.6166.9000111.7T10 Q12 Q17 G18 K36 A37 R40T10-L14 WeakPolarHBondContact O-CG 3.09Å; T10-L14 PolarHBondContact O-N 3.43Å; Q12-L14 VanDerWaalsContact C-N 3.3Å; Q12-L14 PolarHBondContact O-N 2.68Å; L14-Q17 PolarHBondContact O-N 3.38Å; L14-G18 PolarHBondContact O-N 3.06Å; L14-K36 HydrophobicContact CD1-CB 3.93Å; L14-K36 HydrophobicContact CD2-CB 4.14Å; L14-K36 HydrophobicContact CD2-CD 4.39Å; L14-A37 HydrophobicContact CB-CB 3.88Å; L14-R40 HydrophobicContact CD1-CG 4.1Å
15K94.8Very high86.3Confident37 Ų3787.3 Ų87.316%0.16144%0.436CS..Hα-helixtrans-61.6-46.7171.6-178.7-154.367.6-168.50111A11 Q12 Q17 G18 N19 Y34 Y47A11-K15 PolarHBondContact O-N 3.27Å; Q12-K15 WeakPolarHBondContact O-CB 3.37Å; Q12-K15 PolarHBondContact O-N 2.85Å; K15-Q17 VanDerWaalsContact C-N 3.33Å; K15-Q17 PolarHBondContact O-N 2.99Å; K15-G18 CarbonylContact O-C 3.59Å; K15-G18 WeakPolarHBondContact O-CA 3.44Å; K15-G18 PolarHBondContact O-N 3.3Å; K15-G18 VanDerWaalsContact O-N 3.14Å; K15-N19 PolarHBondContact O-N 3.25Å; K15-N19 PolarHBondContact O-OD1 3.35Å; K15-Y34 HydrophobicContact CG-CE1 4.1Å; K15-Y47 HydrophobicContact CB-CD1 4.13Å; K15-Y47 HydrophobicContact CB-CE1 3.8Å; K15-Y47 HydrophobicContact CD-CD1 4.28Å; K15-Y47 HydrophobicContact CD-CE1 3.94Å; K15-Y47 HydrophobicContact CG-CD1 4.09Å; K15-Y47 HydrophobicContact CG-CE1 4.02Å
16E96Very high88.8Confident90 Ų9086.5 Ų86.542%0.42142%0.42SS..Hα-helixtrans-65.6-35.8179.4-72168.8-161.800112.4Q12 E13 N19 R20Q12-E16 PolarHBondContact NE2-OE1 3.46Å; Q12-E16 WeakPolarHBondContact O-CG 3.2Å; Q12-E16 PolarHBondContact O-N 3.46Å; E13-E16 PolarHBondContact O-N 3.45Å; E16-N19 PolarHBondContact O-N 2.94Å; E16-R20 WeakPolarHBondContact O-CG 3.38Å; E16-R20 PolarHBondContact O-N 3.47Å
17Q95.4Very high90.9Very high77 Ų7780.2 Ų80.236%0.3639%0.389SS..Hα-helixtrans-62.6-45169.4-170.7-179.713.100111.6E13 L14 K15 N19 R20 L21E13-Q17 WeakPolarHBondContact O-CB 3.46Å; E13-Q17 PolarHBondContact O-N 2.9Å; L14-Q17 PolarHBondContact O-N 3.38Å; K15-Q17 VanDerWaalsContact C-N 3.33Å; K15-Q17 PolarHBondContact O-N 2.99Å; Q17-N19 VanDerWaalsContact C-N 3.33Å; Q17-N19 PolarHBondContact O-N 3.24Å; Q17-R20 PolarHBondContact O-N 3.27Å; Q17-L21 HydrophobicContact CG-CD1 4.26Å; Q17-L21 WeakPolarHBondContact O-CG 3.43Å; Q17-L21 PolarHBondContact O-N 2.96Å
18G96.3Very high92.8Very high0 Ų077.3 Ų77.30%038%0.378CS..Hα-helixtrans-57.5-44173.500000112.3L14 K15 R20 L21 F22 A30 Y34L14-G18 PolarHBondContact O-N 3.06Å; K15-G18 CarbonylContact O-C 3.59Å; K15-G18 WeakPolarHBondContact O-CA 3.44Å; K15-G18 PolarHBondContact O-N 3.3Å; K15-G18 VanDerWaalsContact O-N 3.14Å; G18-R20 PolarHBondContact O-N 2.97Å; G18-L21 PolarHBondContact O-N 3.3Å; G18-F22 WeakPolarHBondContact O-CB 3.47Å; G18-F22 PolarHBondContact O-N 3.47Å; G18-A30 WeakPolarHBondContact O-CB 3.39Å; G18-Y34 PolarHBondContact O-OH 3.04Å
19N95.9Very high94.4Very high62 Ų6278.4 Ų78.433%0.33238%0.375SS..Hα-helixtrans-60.4-44.4177-71.7-1.1000111.4K15 E16 Q17 F22 L23 Y34K15-N19 PolarHBondContact O-N 3.25Å; K15-N19 PolarHBondContact O-OD1 3.35Å; E16-N19 PolarHBondContact O-N 2.94Å; Q17-N19 VanDerWaalsContact C-N 3.33Å; Q17-N19 PolarHBondContact O-N 3.24Å; N19-F22 WeakPolarHBondContact O-CB 3.37Å; N19-F22 PolarHBondContact O-N 2.96Å; N19-L23 WeakPolarHBondContact O-CG 3.31Å; N19-L23 PolarHBondContact O-N 3.23Å; N19-Y34 WeakPolarHBondContact CA-OH 3.31Å; N19-Y34 PolarHBondContact N-OH 2.82Å; N19-Y34 VanDerWaalsContact N-OH 3.14Å; N19-Y34 PolarHBondContact OD1-OH 3.02Å
20R97.1Very high95.3Very high163 Ų16376 Ų7662%0.61536%0.358SS*.Hα-helixtrans-61.7-45.5176.8-73.3-178-70.2178-1.1111.8E16 Q17 G18 F22 L23 C24E16-R20 WeakPolarHBondContact O-CG 3.38Å; E16-R20 PolarHBondContact O-N 3.47Å; Q17-R20 PolarHBondContact O-N 3.27Å; G18-R20 PolarHBondContact O-N 2.97Å; R20-F22 VanDerWaalsContact C-N 3.32Å; R20-F22 PolarHBondContact O-N 2.82Å; R20-L23 PolarHBondContact O-N 3.15Å; R20-C24 PolarHBondContact O-N 2.89Å; R20-C24 VanDerWaalsContact O-N 3.08Å; R20-C24 PolarHBondContact O-SG 3.05Å; R20-C24 VanDerWaalsContact O-SG 3.36Å
21L96.7Very high95.6Very high29 Ų2972.8 Ų72.815%0.15234%0.339CS..Hα-helixtrans-64.6-38177.6-70.4168000112.1Q17 G18 C24 R25 K26 E29 A30 C33Q17-L21 HydrophobicContact CG-CD1 4.26Å; Q17-L21 WeakPolarHBondContact O-CG 3.43Å; Q17-L21 PolarHBondContact O-N 2.96Å; G18-L21 PolarHBondContact O-N 3.3Å; L21-C24 CarbonylContact O-C 3.46Å; L21-C24 PolarHBondContact O-N 3.38Å; L21-R25 PolarHBondContact O-N 3.49Å; L21-K26 HydrophobicContact CB-CB 4.43Å; L21-K26 HydrophobicContact CD2-CB 4.36Å; L21-K26 HydrophobicContact CD2-CD 4.1Å; L21-K26 PolarHBondContact O-N 3.16Å; L21-E29 HydrophobicContact CD1-CB 3.97Å; L21-E29 HydrophobicContact CD2-CB 4.31Å; L21-E29 WeakPolarHBondContact CD2-OE2 3.43Å; L21-A30 HydrophobicContact CB-CB 3.84Å; L21-C33 HydrophobicContact CD1-CB 4.45Å; L21-C33 VanDerWaalsContact CD1-SG 3.52Å
22F96.6Very high95.9Very high46 Ų4675 Ų7520%0.20235%0.353CS..Hα-helixtrans-61.6-45.7175.4-174.6-89.4000111.7G18 N19 R20 C24 R25 Y27 A30 L53 C54 K57G18-F22 WeakPolarHBondContact O-CB 3.47Å; G18-F22 PolarHBondContact O-N 3.47Å; N19-F22 WeakPolarHBondContact O-CB 3.37Å; N19-F22 PolarHBondContact O-N 2.96Å; R20-F22 VanDerWaalsContact C-N 3.32Å; R20-F22 PolarHBondContact O-N 2.82Å; F22-C24 VanDerWaalsContact C-N 3.26Å; F22-C24 PolarHBondContact O-N 3.25Å; F22-R25 WeakPolarHBondContact O-CA 3.48Å; F22-R25 PolarHBondContact O-N 3.4Å; F22-Y27 AromaticContact CD2-CD1 3.71Å; F22-Y27 HydrophobicContact CD2-CD1 3.71Å; F22-Y27 AromaticContact CD2-CE1 3.99Å; F22-Y27 HydrophobicContact CD2-CE1 3.99Å; F22-Y27 AromaticContact CE2-CD1 3.73Å; F22-Y27 HydrophobicContact CE2-CD1 3.73Å; F22-Y27 AromaticContact CE2-CE1 3.79Å; F22-Y27 HydrophobicContact CE2-CE1 3.79Å; F22-Y27 HydrophobicContact CG-CD1 4.49Å; F22-Y27 HydrophobicContact CZ-CE1 4.14Å; F22-A30 HydrophobicContact CB-CB 4.21Å; F22-L53 HydrophobicContact CE1-CD2 4.15Å; F22-L53 HydrophobicContact CE2-CD2 3.95Å; F22-L53 HydrophobicContact CE2-CG 3.77Å; F22-L53 HydrophobicContact CZ-CD1 4.39Å; F22-L53 HydrophobicContact CZ-CD2 3.51Å; F22-L53 HydrophobicContact CZ-CG 3.67Å; F22-C54 VanDerWaalsContact CD2-SG 3.59Å; F22-K57 HydrophobicContact CE2-CG 4.32Å; F22-K57 HydrophobicContact CZ-CG 4.42Å
23L96.2Very high96.2Very high142 Ų14271.4 Ų71.474%0.74334%0.338SS*.Hα-helixtrans-61.9-34.9175.2-69172.3000112.1N19 R20 R25N19-L23 WeakPolarHBondContact O-CG 3.31Å; N19-L23 PolarHBondContact O-N 3.23Å; R20-L23 PolarHBondContact O-N 3.15Å; L23-R25 PolarHBondContact O-N 3.13Å
24C96.4Very high96.3Very high87 Ų8767.2 Ų67.259%0.58832%0.318SS*.THydrogen-bonded Turntrans-75.89.5172.3-650000114.1R20 L21 F22 K26R20-C24 PolarHBondContact O-N 2.89Å; R20-C24 VanDerWaalsContact O-N 3.08Å; R20-C24 PolarHBondContact O-SG 3.05Å; R20-C24 VanDerWaalsContact O-SG 3.36Å; L21-C24 CarbonylContact O-C 3.46Å; L21-C24 PolarHBondContact O-N 3.38Å; F22-C24 VanDerWaalsContact C-N 3.26Å; F22-C24 PolarHBondContact O-N 3.25Å; C24-K26 HydrophobicContact CB-CG 4.24Å; C24-K26 PolarHBondContact O-N 3.18Å; C24-K26 VanDerWaalsContact O-N 3.14Å
25R95.1Very high96.4Very high196 Ų19668.1 Ų68.174%0.7433%0.325SS*.THydrogen-bonded Turntrans59.117.8-176.9-54.6-177.5178.1-168.8-0.9114.7L21 F22 L23 Y27L21-R25 PolarHBondContact O-N 3.49Å; F22-R25 WeakPolarHBondContact O-CA 3.48Å; F22-R25 PolarHBondContact O-N 3.4Å; L23-R25 PolarHBondContact O-N 3.13Å; R25-Y27 VanDerWaalsContact C-N 3.3Å; R25-Y27 HydrophobicContact CB-CE2 4.23Å; R25-Y27 WeakPolarHBondContact O-CD2 3.38Å; R25-Y27 PolarHBondContact O-N 3.13Å; R25-Y27 VanDerWaalsContact O-N 3.14Å
26K96.9Very high96.5Very high103 Ų10371.8 Ų71.845%0.44834%0.341SS..  trans-89.366.2177.1-59.6-164.3-179.9-170.20110.6L21 C24 Q28 E29 A30L21-K26 HydrophobicContact CB-CB 4.43Å; L21-K26 HydrophobicContact CD2-CB 4.36Å; L21-K26 HydrophobicContact CD2-CD 4.1Å; L21-K26 PolarHBondContact O-N 3.16Å; C24-K26 HydrophobicContact CB-CG 4.24Å; C24-K26 PolarHBondContact O-N 3.18Å; C24-K26 VanDerWaalsContact O-N 3.14Å; K26-Q28 VanDerWaalsContact C-N 3.32Å; K26-Q28 PolarHBondContact O-N 3.16Å; K26-E29 HydrophobicContact CB-CB 4.27Å; K26-E29 WeakPolarHBondContact CD-OE2 3.44Å; K26-E29 IonicContact NZ-OE1 3.85Å; K26-E29 IonicContact NZ-OE2 3.59Å; K26-E29 PolarHBondContact O-N 3.36Å; K26-A30 WeakPolarHBondContact O-CB 3.38Å; K26-A30 PolarHBondContact O-N 3.48Å
27Y96.7Very high96.4Very high54 Ų5467.5 Ų67.521%0.21232%0.321CS..Hα-helixtrans-62.9-35.2-168.7-53.5-58.4000113.8F22 R25 A30 A31 K57F22-Y27 AromaticContact CD2-CD1 3.71Å; F22-Y27 HydrophobicContact CD2-CD1 3.71Å; F22-Y27 AromaticContact CD2-CE1 3.99Å; F22-Y27 HydrophobicContact CD2-CE1 3.99Å; F22-Y27 AromaticContact CE2-CD1 3.73Å; F22-Y27 HydrophobicContact CE2-CD1 3.73Å; F22-Y27 AromaticContact CE2-CE1 3.79Å; F22-Y27 HydrophobicContact CE2-CE1 3.79Å; F22-Y27 HydrophobicContact CG-CD1 4.49Å; F22-Y27 HydrophobicContact CZ-CE1 4.14Å; R25-Y27 VanDerWaalsContact C-N 3.3Å; R25-Y27 HydrophobicContact CB-CE2 4.23Å; R25-Y27 WeakPolarHBondContact O-CD2 3.38Å; R25-Y27 PolarHBondContact O-N 3.13Å; R25-Y27 VanDerWaalsContact O-N 3.14Å; Y27-A30 PolarHBondContact O-N 2.99Å; Y27-A31 WeakPolarHBondContact O-CB 3.26Å; Y27-A31 PolarHBondContact O-N 3.09Å; Y27-K57 HydrophobicContact CD1-CB 4.01Å; Y27-K57 HydrophobicContact CD1-CG 4.26Å; Y27-K57 HydrophobicContact CD2-CB 3.88Å; Y27-K57 HydrophobicContact CE1-CB 4.11Å; Y27-K57 HydrophobicContact CE1-CG 4.02Å; Y27-K57 HydrophobicContact CE2-CB 3.97Å; Y27-K57 HydrophobicContact CG-CB 3.89Å
28Q96.8Very high96.5Very high138 Ų13864.3 Ų64.365%0.64531%0.307SS*.Hα-helixtrans-72.4-39.7-179.3-165.6150-4.900112.4K26 A31 S32 L58K26-Q28 VanDerWaalsContact C-N 3.32Å; K26-Q28 PolarHBondContact O-N 3.16Å; Q28-A31 PolarHBondContact O-N 3.48Å; Q28-S32 PolarHBondContact O-N 3.38Å; Q28-S32 VanDerWaalsContact O-N 3.13Å; Q28-L58 HydrophobicContact CB-CD1 4.25Å
29E96.3Very high96.5Very high96 Ų9670.9 Ų70.945%0.44934%0.342SS..Hα-helixtrans-66.4-41.4172.8-63.2173.4-157.700110.6L21 K26 A31 S32 C33L21-E29 HydrophobicContact CD1-CB 3.97Å; L21-E29 HydrophobicContact CD2-CB 4.31Å; L21-E29 WeakPolarHBondContact CD2-OE2 3.43Å; K26-E29 HydrophobicContact CB-CB 4.27Å; K26-E29 WeakPolarHBondContact CD-OE2 3.44Å; K26-E29 IonicContact NZ-OE1 3.85Å; K26-E29 IonicContact NZ-OE2 3.59Å; K26-E29 PolarHBondContact O-N 3.36Å; E29-A31 PolarHBondContact O-N 2.93Å; E29-S32 WeakPolarHBondContact O-CB 3.32Å; E29-S32 PolarHBondContact O-N 3.49Å; E29-C33 PolarHBondContact O-N 3.35Å
30A97.1Very high96.4Very high0 Ų075.6 Ų75.60%036%0.355CS..Hα-helixtrans-60-45.8175.200000112G18 L21 F22 K26 Y27 S32 C33 Y34G18-A30 WeakPolarHBondContact O-CB 3.39Å; L21-A30 HydrophobicContact CB-CB 3.84Å; F22-A30 HydrophobicContact CB-CB 4.21Å; K26-A30 WeakPolarHBondContact O-CB 3.38Å; K26-A30 PolarHBondContact O-N 3.48Å; Y27-A30 PolarHBondContact O-N 2.99Å; A30-S32 VanDerWaalsContact C-N 3.27Å; A30-S32 PolarHBondContact O-N 3.22Å; A30-C33 WeakPolarHBondContact O-CB 3.31Å; A30-C33 PolarHBondContact O-N 3.36Å; A30-C33 VanDerWaalsContact O-N 3.14Å; A30-Y34 HydrophobicContact CB-CE2 4.19Å; A30-Y34 WeakPolarHBondContact O-CD2 3.12Å; A30-Y34 PolarHBondContact O-N 2.87Å
31A97.1Very high96.2Very high7 Ų770.6 Ų70.66%0.05834%0.34CS..Hα-helixtrans-60.7-36176.100000112.4Y27 Q28 E29 S35 R51 C54Y27-A31 WeakPolarHBondContact O-CB 3.26Å; Y27-A31 PolarHBondContact O-N 3.09Å; Q28-A31 PolarHBondContact O-N 3.48Å; E29-A31 PolarHBondContact O-N 2.93Å; A31-S35 WeakPolarHBondContact O-CB 3.39Å; A31-S35 PolarHBondContact O-N 3.05Å; A31-S35 PolarHBondContact O-OG 3.3Å; A31-R51 HydrophobicContact CB-CG 4.26Å; A31-C54 HydrophobicContact CB-CB 3.98Å
32S96.8Very high96.1Very high59 Ų5972.8 Ų72.841%0.41336%0.356SS..Hα-helixtrans-65.5-44.1173.2-174.90000111.8Q28 E29 A30 Y34 S35 K36Q28-S32 PolarHBondContact O-N 3.38Å; Q28-S32 VanDerWaalsContact O-N 3.13Å; E29-S32 WeakPolarHBondContact O-CB 3.32Å; E29-S32 PolarHBondContact O-N 3.49Å; A30-S32 VanDerWaalsContact C-N 3.27Å; A30-S32 PolarHBondContact O-N 3.22Å; S32-Y34 PolarHBondContact O-N 3.48Å; S32-S35 WeakPolarHBondContact O-CB 3.3Å; S32-S35 PolarHBondContact O-N 2.96Å; S32-K36 WeakPolarHBondContact O-CG 3.41Å; S32-K36 PolarHBondContact O-N 3.14Å
33C96.5Very high95.9Very high8 Ų874.5 Ų74.55%0.05437%0.374CS..Hα-helixtrans-60.6-44.1174.3-76.50000112.7L21 E29 A30 S35 K36 A37L21-C33 HydrophobicContact CD1-CB 4.45Å; L21-C33 VanDerWaalsContact CD1-SG 3.52Å; E29-C33 PolarHBondContact O-N 3.35Å; A30-C33 WeakPolarHBondContact O-CB 3.31Å; A30-C33 PolarHBondContact O-N 3.36Å; A30-C33 VanDerWaalsContact O-N 3.14Å; C33-S35 VanDerWaalsContact C-N 3.33Å; C33-S35 PolarHBondContact O-N 3.34Å; C33-K36 WeakPolarHBondContact O-CB 3.41Å; C33-K36 PolarHBondContact O-N 3.18Å; C33-A37 PolarHBondContact O-N 2.76Å
34Y97.1Very high95.9Very high4 Ų469.5 Ų69.52%0.01635%0.349CS..Hα-helixtrans-65.8-36.1175-62.1-51.3000112.3K15 G18 N19 A30 S32 K36 A37 I38 N50 R51 C54K15-Y34 HydrophobicContact CG-CE1 4.1Å; G18-Y34 PolarHBondContact O-OH 3.04Å; N19-Y34 WeakPolarHBondContact CA-OH 3.31Å; N19-Y34 PolarHBondContact N-OH 2.82Å; N19-Y34 VanDerWaalsContact N-OH 3.14Å; N19-Y34 PolarHBondContact OD1-OH 3.02Å; A30-Y34 HydrophobicContact CB-CE2 4.19Å; A30-Y34 WeakPolarHBondContact O-CD2 3.12Å; A30-Y34 PolarHBondContact O-N 2.87Å; S32-Y34 PolarHBondContact O-N 3.48Å; Y34-K36 VanDerWaalsContact C-N 3.33Å; Y34-K36 PolarHBondContact O-N 2.94Å; Y34-A37 WeakPolarHBondContact O-CA 3.16Å; Y34-A37 WeakPolarHBondContact O-CB 3.41Å; Y34-A37 PolarHBondContact O-N 3.19Å; Y34-A37 VanDerWaalsContact O-N 3.11Å; Y34-I38 VanDerWaalsContact O-CG1 3.31Å; Y34-I38 WeakPolarHBondContact O-CG1 3.3Å; Y34-I38 PolarHBondContact O-N 3.35Å; Y34-N50 HydrophobicContact CD1-CB 4.08Å; Y34-N50 HydrophobicContact CD2-CB 4.13Å; Y34-N50 HydrophobicContact CE1-CB 3.79Å; Y34-N50 HydrophobicContact CE2-CB 3.85Å; Y34-N50 HydrophobicContact CG-CB 4.25Å; Y34-R51 HydrophobicContact CD2-CB 4.37Å; Y34-C54 VanDerWaalsContact CE2-SG 3.55Å
35S97.1Very high95.8Very high32 Ų3266 Ų6622%0.22433%0.326CS..Hα-helixtrans-63-40174.1-59.70000112A31 S32 C33 A37 I38 N39 R51A31-S35 WeakPolarHBondContact O-CB 3.39Å; A31-S35 PolarHBondContact O-N 3.05Å; A31-S35 PolarHBondContact O-OG 3.3Å; S32-S35 WeakPolarHBondContact O-CB 3.3Å; S32-S35 PolarHBondContact O-N 2.96Å; C33-S35 VanDerWaalsContact C-N 3.33Å; C33-S35 PolarHBondContact O-N 3.34Å; S35-A37 VanDerWaalsContact C-N 3.33Å; S35-I38 PolarHBondContact O-N 3.33Å; S35-N39 VanDerWaalsContact O-CG 3.28Å; S35-N39 PolarHBondContact O-N 3.41Å; S35-R51 VanDerWaalsContact OG-CD 3.23Å; S35-R51 WeakPolarHBondContact OG-CD 3.49Å; S35-R51 PolarHBondContact OG-NH1 3.47Å
36K96.1Very high95.8Very high114 Ų11460.1 Ų60.150%0.49631%0.312SS..Hα-helixtrans-62.8-39.6171.3-67.7175.8-177.1-178.80111.5L14 S32 C33 Y34 N39 R40L14-K36 HydrophobicContact CD1-CB 3.93Å; L14-K36 HydrophobicContact CD2-CB 4.14Å; L14-K36 HydrophobicContact CD2-CD 4.39Å; S32-K36 WeakPolarHBondContact O-CG 3.41Å; S32-K36 PolarHBondContact O-N 3.14Å; C33-K36 WeakPolarHBondContact O-CB 3.41Å; C33-K36 PolarHBondContact O-N 3.18Å; Y34-K36 VanDerWaalsContact C-N 3.33Å; Y34-K36 PolarHBondContact O-N 2.94Å; K36-N39 PolarHBondContact O-N 3.34Å; K36-R40 WeakPolarHBondContact O-CG 3.47Å; K36-R40 PolarHBondContact O-N 2.85Å
37A95.3Very high95.8Very high0 Ų055.9 Ų55.90%029%0.293CS..Hα-helixtrans-63.5-42.6175.800000112.1L14 C33 Y34 S35 R40 N41 Y47L14-A37 HydrophobicContact CB-CB 3.88Å; C33-A37 PolarHBondContact O-N 2.76Å; Y34-A37 WeakPolarHBondContact O-CA 3.16Å; Y34-A37 WeakPolarHBondContact O-CB 3.41Å; Y34-A37 PolarHBondContact O-N 3.19Å; Y34-A37 VanDerWaalsContact O-N 3.11Å; S35-A37 VanDerWaalsContact C-N 3.33Å; A37-R40 PolarHBondContact O-N 2.86Å; A37-N41 PolarHBondContact O-N 3.39Å; A37-Y47 HydrophobicContact CB-CD1 4.39Å; A37-Y47 HydrophobicContact CB-CD2 4.16Å; A37-Y47 HydrophobicContact CB-CE2 4.32Å; A37-Y47 HydrophobicContact CB-CG 4.22Å
38I96.2Very high95.9Very high11 Ų1154.4 Ų54.46%0.05629%0.288CS..Hα-helixtrans-62-46176-69.7163.6000111Y34 S35 R40 N41 P42 Y47 Y48Y34-I38 VanDerWaalsContact O-CG1 3.31Å; Y34-I38 WeakPolarHBondContact O-CG1 3.3Å; Y34-I38 PolarHBondContact O-N 3.35Å; S35-I38 PolarHBondContact O-N 3.33Å; I38-R40 PolarHBondContact O-N 3.31Å; I38-N41 CarbonylContact O-C 3.13Å; I38-N41 PolarHBondContact O-N 3.14Å; I38-P42 WeakPolarHBondContact O-CA 3.3Å; I38-P42 WeakPolarHBondContact O-CD 3.44Å; I38-P42 VanDerWaalsContact O-N 3.08Å; I38-Y47 HydrophobicContact CG1-CD2 4.39Å; I38-Y47 HydrophobicContact CG1-CG 4.45Å; I38-Y48 HydrophobicContact CD1-CD1 4Å; I38-Y48 HydrophobicContact CD1-CE1 4.09Å; I38-Y48 HydrophobicContact CD1-CG 4.26Å; I38-Y48 HydrophobicContact CG1-CE1 4.46Å; I38-Y48 HydrophobicContact CG1-CE2 4.28Å; I38-Y48 HydrophobicContact CG2-CE1 4.05Å; I38-Y48 HydrophobicContact CG2-CE2 4.35Å; I38-Y48 WeakPolarHBondContact CG2-OH 3.5Å
39N95.8Very high95.9Very high137 Ų13748 Ų4873%0.73326%0.258SS*.Hα-helixtrans-61.5-27.9177.6-70.9-12.4000112.8S35 K36S35-N39 VanDerWaalsContact O-CG 3.28Å; S35-N39 PolarHBondContact O-N 3.41Å; K36-N39 PolarHBondContact O-N 3.34Å
40R94.3Very high95.9Very high162 Ų16244.7 Ų44.761%0.61124%0.243SC*.Hα-helixtrans-81.6-39.9175.9-69.6-63.6-170.4-166.6-0.3112.3S8 A11 L14 K36 A37 I38S8-R40 PolarHBondContact OG-NH2 2.89Å; A11-R40 HydrophobicContact CB-CB 3.95Å; L14-R40 HydrophobicContact CD1-CG 4.1Å; K36-R40 WeakPolarHBondContact O-CG 3.47Å; K36-R40 PolarHBondContact O-N 2.85Å; A37-R40 PolarHBondContact O-N 2.86Å; I38-R40 PolarHBondContact O-N 3.31Å
41N92.9Very high96Very high57 Ų5746.6 Ų46.631%0.30525%0.251SS..  trans-146.498.7176.8-174.30.6000110.8A11 A37 I38 S43 V44 Y47A11-N41 HydrophobicContact CB-CB 4.07Å; A37-N41 PolarHBondContact O-N 3.39Å; I38-N41 CarbonylContact O-C 3.13Å; I38-N41 PolarHBondContact O-N 3.14Å; N41-S43 VanDerWaalsContact C-N 3.34Å; N41-S43 PolarHBondContact O-N 3.48Å; N41-S43 PolarHBondContact OD1-N 3.48Å; N41-S43 PolarHBondContact OD1-OG 3.29Å; N41-V44 WeakPolarHBondContact ND2-CG2 3.32Å; N41-Y47 HydrophobicContact CB-CE2 4.32Å; N41-Y47 WeakPolarHBondContact O-CD2 3.43Å; N41-Y47 WeakPolarHBondContact O-CE2 3.39Å
42P94.1Very high96Very high76 Ų7646.2 Ų46.249%0.49425%0.248SC..THydrogen-bonded Turntrans-81.8-6.3-176.131.9-35.4000113.9I38 V44 Y48 L74I38-P42 WeakPolarHBondContact O-CA 3.3Å; I38-P42 WeakPolarHBondContact O-CD 3.44Å; I38-P42 VanDerWaalsContact O-N 3.08Å; P42-V44 VanDerWaalsContact C-N 3.28Å; P42-V44 PolarHBondContact O-N 2.94Å; P42-Y48 WeakPolarHBondContact O-CE2 3.31Å; P42-Y48 PolarHBondContact O-OH 3.41Å; P42-L74 WeakPolarHBondContact O-CD1 3.37Å
43S94Very high95.9Very high81 Ų8145.2 Ų45.257%0.56624%0.237SC*.THydrogen-bonded Turntrans-85.33.6-176.963.50000114.3N41N41-S43 VanDerWaalsContact C-N 3.34Å; N41-S43 PolarHBondContact O-N 3.48Å; N41-S43 PolarHBondContact OD1-N 3.48Å; N41-S43 PolarHBondContact OD1-OG 3.29Å
44V94.6Very high96Very high38 Ų3844.8 Ų44.823%0.2324%0.235CC..  trans-103.5104.2-174.6-178.70000110.8N41 P42 V46 Y47 Y48N41-V44 WeakPolarHBondContact ND2-CG2 3.32Å; P42-V44 VanDerWaalsContact C-N 3.28Å; P42-V44 PolarHBondContact O-N 2.94Å; V44-V46 HydrophobicContact CG1-CB 4.12Å; V44-V46 PolarHBondContact O-N 3.15Å; V44-V46 VanDerWaalsContact O-N 3.14Å; V44-Y47 HydrophobicContact CB-CD2 3.65Å; V44-Y47 HydrophobicContact CB-CE1 4.48Å; V44-Y47 HydrophobicContact CB-CE2 3.47Å; V44-Y47 VanDerWaalsContact CB-CE2 3.47Å; V44-Y47 HydrophobicContact CB-CG 4.22Å; V44-Y47 HydrophobicContact CG1-CD1 4.13Å; V44-Y47 HydrophobicContact CG1-CD2 4.04Å; V44-Y47 HydrophobicContact CG1-CE1 3.93Å; V44-Y47 HydrophobicContact CG1-CE2 3.85Å; V44-Y47 HydrophobicContact CG1-CG 4.17Å; V44-Y47 HydrophobicContact CG2-CD2 4.42Å; V44-Y47 HydrophobicContact CG2-CE2 3.78Å; V44-Y47 PolarHBondContact O-N 3.29Å; V44-Y48 WeakPolarHBondContact O-CD2 3.43Å
45A95.6Very high96Very high13 Ų1345.6 Ų45.611%0.10724%0.238CC..Hα-helixtrans-54.5-34.1-179.400000113.9Y47 Y48 T49 L74 D75A45-Y47 VanDerWaalsContact C-N 3.26Å; A45-Y47 PolarHBondContact O-N 3.21Å; A45-Y48 WeakPolarHBondContact O-CB 3.36Å; A45-Y48 PolarHBondContact O-N 2.97Å; A45-Y48 VanDerWaalsContact O-N 3.14Å; A45-T49 PolarHBondContact O-N 3.25Å; A45-T49 VanDerWaalsContact O-N 3.12Å; A45-L74 HydrophobicContact CB-CB 3.92Å; A45-L74 HydrophobicContact CB-CD1 4.48Å; A45-D75 HydrophobicContact CB-CB 3.8Å
46V95.5Very high95.9Very high73 Ų7344.7 Ų44.744%0.44223%0.232SC..Hα-helixtrans-57.9-37.4-178.5178.60000112.1V44 Y48 T49 N50V44-V46 HydrophobicContact CG1-CB 4.12Å; V44-V46 PolarHBondContact O-N 3.15Å; V44-V46 VanDerWaalsContact O-N 3.14Å; V46-Y48 VanDerWaalsContact C-N 3.32Å; V46-Y48 PolarHBondContact O-N 3.14Å; V46-T49 PolarHBondContact O-N 3.07Å; V46-T49 PolarHBondContact O-OG1 3.01Å; V46-N50 WeakPolarHBondContact O-CB 3.4Å; V46-N50 PolarHBondContact O-N 3.33Å
47Y96.8Very high95.8Very high13 Ų1344.5 Ų44.55%0.05123%0.231CC..Hα-helixtrans-65.4-38.5-179.2-54.9-29.2000112A11 K15 A37 I38 N41 V44 A45 R51A11-Y47 HydrophobicContact CB-CE2 4.14Å; K15-Y47 HydrophobicContact CB-CD1 4.13Å; K15-Y47 HydrophobicContact CB-CE1 3.8Å; K15-Y47 HydrophobicContact CD-CD1 4.28Å; K15-Y47 HydrophobicContact CD-CE1 3.94Å; K15-Y47 HydrophobicContact CG-CD1 4.09Å; K15-Y47 HydrophobicContact CG-CE1 4.02Å; A37-Y47 HydrophobicContact CB-CD1 4.39Å; A37-Y47 HydrophobicContact CB-CD2 4.16Å; A37-Y47 HydrophobicContact CB-CE2 4.32Å; A37-Y47 HydrophobicContact CB-CG 4.22Å; I38-Y47 HydrophobicContact CG1-CD2 4.39Å; I38-Y47 HydrophobicContact CG1-CG 4.45Å; N41-Y47 HydrophobicContact CB-CE2 4.32Å; N41-Y47 WeakPolarHBondContact O-CD2 3.43Å; N41-Y47 WeakPolarHBondContact O-CE2 3.39Å; V44-Y47 HydrophobicContact CB-CD2 3.65Å; V44-Y47 HydrophobicContact CB-CE1 4.48Å; V44-Y47 HydrophobicContact CB-CE2 3.47Å; V44-Y47 VanDerWaalsContact CB-CE2 3.47Å; V44-Y47 HydrophobicContact CB-CG 4.22Å; V44-Y47 HydrophobicContact CG1-CD1 4.13Å; V44-Y47 HydrophobicContact CG1-CD2 4.04Å; V44-Y47 HydrophobicContact CG1-CE1 3.93Å; V44-Y47 HydrophobicContact CG1-CE2 3.85Å; V44-Y47 HydrophobicContact CG1-CG 4.17Å; V44-Y47 HydrophobicContact CG2-CD2 4.42Å; V44-Y47 HydrophobicContact CG2-CE2 3.78Å; V44-Y47 PolarHBondContact O-N 3.29Å; A45-Y47 VanDerWaalsContact C-N 3.26Å; A45-Y47 PolarHBondContact O-N 3.21Å; Y47-R51 WeakPolarHBondContact O-CB 3.27Å; Y47-R51 PolarHBondContact O-N 3.47Å
48Y97.9Very high95.9Very high23 Ų2346.9 Ų46.99%0.0924%0.243CC..Hα-helixtrans-66.7-47.1175.8-64.4-90.7000111.1I38 P42 V44 A45 V46 N50 R51 A52 D67 H70 L74I38-Y48 HydrophobicContact CD1-CD1 4Å; I38-Y48 HydrophobicContact CD1-CE1 4.09Å; I38-Y48 HydrophobicContact CD1-CG 4.26Å; I38-Y48 HydrophobicContact CG1-CE1 4.46Å; I38-Y48 HydrophobicContact CG1-CE2 4.28Å; I38-Y48 HydrophobicContact CG2-CE1 4.05Å; I38-Y48 HydrophobicContact CG2-CE2 4.35Å; I38-Y48 WeakPolarHBondContact CG2-OH 3.5Å; P42-Y48 WeakPolarHBondContact O-CE2 3.31Å; P42-Y48 PolarHBondContact O-OH 3.41Å; V44-Y48 WeakPolarHBondContact O-CD2 3.43Å; A45-Y48 WeakPolarHBondContact O-CB 3.36Å; A45-Y48 PolarHBondContact O-N 2.97Å; A45-Y48 VanDerWaalsContact O-N 3.14Å; V46-Y48 VanDerWaalsContact C-N 3.32Å; V46-Y48 PolarHBondContact O-N 3.14Å; Y48-N50 VanDerWaalsContact C-N 3.32Å; Y48-N50 PolarHBondContact O-N 2.81Å; Y48-R51 PolarHBondContact O-N 3.29Å; Y48-A52 WeakPolarHBondContact O-CB 3.24Å; Y48-A52 PolarHBondContact O-N 3.45Å; Y48-D67 WeakPolarHBondContact CB-O 3.43Å; Y48-H70 HydrophobicContact CD1-CB 3.9Å; Y48-H70 HydrophobicContact CE1-CB 3.99Å; Y48-H70 HydrophobicContact CG-CB 4.48Å; Y48-L74 HydrophobicContact CD2-CD1 3.85Å; Y48-L74 HydrophobicContact CE2-CD1 3.56Å
49T97.3Very high95.8Very high5 Ų553.4 Ų53.43%0.03127%0.274CS..Hα-helixtrans-62.3-36.9177.561.20000113.1A45 V46 L53 A71 A81A45-T49 PolarHBondContact O-N 3.25Å; A45-T49 VanDerWaalsContact O-N 3.12Å; V46-T49 PolarHBondContact O-N 3.07Å; V46-T49 PolarHBondContact O-OG1 3.01Å; T49-L53 PolarHBondContact O-N 3.17Å; T49-A71 HydrophobicContact CG2-CB 3.64Å; T49-A81 HydrophobicContact CG2-CB 3.83Å
50N96.8Very high95.8Very high25 Ų2549.7 Ų49.713%0.13425%0.252CS..Hα-helixtrans-69.5-37.8176.2-75.70.3000112.4Y34 V46 Y48 C54Y34-N50 HydrophobicContact CD1-CB 4.08Å; Y34-N50 HydrophobicContact CD2-CB 4.13Å; Y34-N50 HydrophobicContact CE1-CB 3.79Å; Y34-N50 HydrophobicContact CE2-CB 3.85Å; Y34-N50 HydrophobicContact CG-CB 4.25Å; V46-N50 WeakPolarHBondContact O-CB 3.4Å; V46-N50 PolarHBondContact O-N 3.33Å; Y48-N50 VanDerWaalsContact C-N 3.32Å; Y48-N50 PolarHBondContact O-N 2.81Å; N50-C54 PolarHBondContact O-N 3.44Å; N50-C54 PolarHBondContact O-SG 3.1Å
51R97.6Very high95.9Very high40 Ų4044 Ų4415%0.15123%0.231CC..Hα-helixtrans-69.9-41174.4-169.2172.468.6-176.1-2.6111.5A31 Y34 S35 Y47 Y48 L53 C54 H55 D67A31-R51 HydrophobicContact CB-CG 4.26Å; Y34-R51 HydrophobicContact CD2-CB 4.37Å; S35-R51 VanDerWaalsContact OG-CD 3.23Å; S35-R51 WeakPolarHBondContact OG-CD 3.49Å; S35-R51 PolarHBondContact OG-NH1 3.47Å; Y47-R51 WeakPolarHBondContact O-CB 3.27Å; Y47-R51 PolarHBondContact O-N 3.47Å; Y48-R51 PolarHBondContact O-N 3.29Å; R51-L53 VanDerWaalsContact C-N 3.31Å; R51-L53 PolarHBondContact O-N 3.37Å; R51-C54 WeakPolarHBondContact O-CA 3.5Å; R51-C54 VanDerWaalsContact O-CB 3.31Å; R51-C54 WeakPolarHBondContact O-CB 3.37Å; R51-C54 PolarHBondContact O-N 2.86Å; R51-H55 PolarHBondContact O-CD2 2.91Å; R51-H55 PolarHBondContact O-N 3.37Å; R51-D67 WeakPolarHBondContact CB-OD2 3.28Å; R51-D67 WeakPolarHBondContact CG-OD2 3.16Å; R51-D67 IonicContact CZ-OD1 3.38Å; R51-D67 IonicContact CZ-OD2 3.68Å; R51-D67 IonicContact NE-OD1 3.3Å; R51-D67 PolarHBondContact NE-OD1 3.48Å; R51-D67 IonicContact NE-OD2 2.8Å; R51-D67 PolarHBondContact NE-OD2 3.32Å; R51-D67 IonicContact NH2-OD1 2.66Å; R51-D67 PolarHBondContact NH2-OD1 3.02Å; R51-D67 IonicContact NH2-OD2 3.73Å
52A97.3Very high96Very high0 Ų047 Ų470%025%0.246CC..Hα-helixtrans-55.7-45.8172.800000111.4Y48 C54 H55 V56 A64 D67 C68Y48-A52 WeakPolarHBondContact O-CB 3.24Å; Y48-A52 PolarHBondContact O-N 3.45Å; A52-C54 VanDerWaalsContact C-N 3.3Å; A52-C54 PolarHBondContact O-N 3.33Å; A52-H55 CarbonylContact O-C 3.5Å; A52-H55 WeakPolarHBondContact O-CA 3.36Å; A52-H55 WeakPolarHBondContact O-CB 3.42Å; A52-H55 PolarHBondContact O-N 3.15Å; A52-V56 WeakPolarHBondContact O-CG2 3.31Å; A52-V56 PolarHBondContact O-N 3.12Å; A52-A64 HydrophobicContact CB-CB 4.41Å; A52-D67 HydrophobicContact CB-CB 3.77Å; A52-C68 VanDerWaalsContact CB-SG 3.6Å
53L96.3Very high96.1Very high37 Ų3748.9 Ų48.919%0.19425%0.247CC..Hα-helixtrans-59.8-38.9175.8178.259.4000112.5F22 T49 R51 H55 V56 K57 F84F22-L53 HydrophobicContact CE1-CD2 4.15Å; F22-L53 HydrophobicContact CE2-CD2 3.95Å; F22-L53 HydrophobicContact CE2-CG 3.77Å; F22-L53 HydrophobicContact CZ-CD1 4.39Å; F22-L53 HydrophobicContact CZ-CD2 3.51Å; F22-L53 HydrophobicContact CZ-CG 3.67Å; T49-L53 PolarHBondContact O-N 3.17Å; R51-L53 VanDerWaalsContact C-N 3.31Å; R51-L53 PolarHBondContact O-N 3.37Å; L53-H55 VanDerWaalsContact C-N 3.35Å; L53-V56 PolarHBondContact O-N 2.92Å; L53-K57 WeakPolarHBondContact O-CG 3.31Å; L53-K57 PolarHBondContact O-N 3.42Å; L53-K57 VanDerWaalsContact O-N 3.1Å; L53-F84 HydrophobicContact CB-CE1 4.49Å; L53-F84 HydrophobicContact CB-CE2 4.06Å; L53-F84 HydrophobicContact CB-CZ 4.01Å; L53-F84 HydrophobicContact CD1-CD1 4.47Å; L53-F84 HydrophobicContact CD1-CE1 3.76Å; L53-F84 HydrophobicContact CD1-CZ 3.93Å; L53-F84 HydrophobicContact CD2-CZ 4.05Å; L53-F84 HydrophobicContact CG-CZ 4.2Å
54C97.3Very high96.3Very high0 Ų045 Ų450%022%0.22CC..Hα-helixtrans-62.9-43.3173.2-61.20000111.3F22 A31 Y34 N50 R51 A52 K57 L58F22-C54 VanDerWaalsContact CD2-SG 3.59Å; A31-C54 HydrophobicContact CB-CB 3.98Å; Y34-C54 VanDerWaalsContact CE2-SG 3.55Å; N50-C54 PolarHBondContact O-N 3.44Å; N50-C54 PolarHBondContact O-SG 3.1Å; R51-C54 WeakPolarHBondContact O-CA 3.5Å; R51-C54 VanDerWaalsContact O-CB 3.31Å; R51-C54 WeakPolarHBondContact O-CB 3.37Å; R51-C54 PolarHBondContact O-N 2.86Å; A52-C54 VanDerWaalsContact C-N 3.3Å; A52-C54 PolarHBondContact O-N 3.33Å; C54-K57 PolarHBondContact O-N 2.73Å; C54-L58 WeakPolarHBondContact O-CG 3.41Å; C54-L58 PolarHBondContact O-N 2.86Å
55H97.5Very high96.4Very high20 Ų2044 Ų449%0.09321%0.213CC..Hα-helixtrans-63.6-39.6177.4-73-47.6000112.5R51 A52 L53 K57 L58 Q59 Q60 K63 A64 D67R51-H55 PolarHBondContact O-CD2 2.91Å; R51-H55 PolarHBondContact O-N 3.37Å; A52-H55 CarbonylContact O-C 3.5Å; A52-H55 WeakPolarHBondContact O-CA 3.36Å; A52-H55 WeakPolarHBondContact O-CB 3.42Å; A52-H55 PolarHBondContact O-N 3.15Å; L53-H55 VanDerWaalsContact C-N 3.35Å; H55-K57 VanDerWaalsContact C-N 3.35Å; H55-K57 PolarHBondContact O-N 3.24Å; H55-L58 CarbonylContact O-C 3.48Å; H55-L58 WeakPolarHBondContact O-CA 3.24Å; H55-L58 PolarHBondContact O-N 3.32Å; H55-L58 VanDerWaalsContact O-N 3.09Å; H55-Q59 PolarHBondContact O-N 2.9Å; H55-Q60 HydrophobicContact CB-CB 4.12Å; H55-Q60 PolarHBondContact CE1-OE1 3.29Å; H55-Q60 PolarHBondContact ND1-OE1 3.49Å; H55-Q60 PolarHBondContact O-N 3.31Å; H55-K63 HydrophobicContact CB-CB 4.44Å; H55-A64 HydrophobicContact CB-CB 3.76Å; H55-D67 IonicContact CD2-OD2 3.4Å; H55-D67 PolarHBondContact CD2-OD2 3.03Å; H55-D67 IonicContact NE2-OD2 3.81Å
56V94.9Very high96.4Very high13 Ų1345.8 Ų45.88%0.07923%0.228CC..Hα-helixtrans-58.6-45.6171.9172.10000110.9A52 L53 L58 Q59 A64 C88A52-V56 WeakPolarHBondContact O-CG2 3.31Å; A52-V56 PolarHBondContact O-N 3.12Å; L53-V56 PolarHBondContact O-N 2.92Å; V56-L58 PolarHBondContact O-N 3.36Å; V56-Q59 PolarHBondContact O-N 2.91Å; V56-Q59 VanDerWaalsContact O-N 3.08Å; V56-A64 HydrophobicContact CG2-CB 3.88Å; V56-C88 VanDerWaalsContact CG2-SG 3.56Å
57K95Very high96.5Very high111 Ų11142.6 Ų42.648%0.48321%0.208SC..Hα-helixtrans-65.8-23.1176.6-65.4-58.6-179.1-171.90113.8F22 Y27 L53 C54 H55F22-K57 HydrophobicContact CE2-CG 4.32Å; F22-K57 HydrophobicContact CZ-CG 4.42Å; Y27-K57 HydrophobicContact CD1-CB 4.01Å; Y27-K57 HydrophobicContact CD1-CG 4.26Å; Y27-K57 HydrophobicContact CD2-CB 3.88Å; Y27-K57 HydrophobicContact CE1-CB 4.11Å; Y27-K57 HydrophobicContact CE1-CG 4.02Å; Y27-K57 HydrophobicContact CE2-CB 3.97Å; Y27-K57 HydrophobicContact CG-CB 3.89Å; L53-K57 WeakPolarHBondContact O-CG 3.31Å; L53-K57 PolarHBondContact O-N 3.42Å; L53-K57 VanDerWaalsContact O-N 3.1Å; C54-K57 PolarHBondContact O-N 2.73Å; H55-K57 VanDerWaalsContact C-N 3.35Å; H55-K57 PolarHBondContact O-N 3.24Å
58L95.6Very high96.6Very high49 Ų4942 Ų4226%0.25721%0.206SC..THydrogen-bonded Turntrans-93.84.7175.3-67.3170.5000113.2Q28 C54 H55 V56 Q60Q28-L58 HydrophobicContact CB-CD1 4.25Å; C54-L58 WeakPolarHBondContact O-CG 3.41Å; C54-L58 PolarHBondContact O-N 2.86Å; H55-L58 CarbonylContact O-C 3.48Å; H55-L58 WeakPolarHBondContact O-CA 3.24Å; H55-L58 PolarHBondContact O-N 3.32Å; H55-L58 VanDerWaalsContact O-N 3.09Å; V56-L58 PolarHBondContact O-N 3.36Å; L58-Q60 HydrophobicContact CB-CG 4.11Å; L58-Q60 PolarHBondContact O-N 3.1Å
59Q95.3Very high96.5Very high149 Ų14946.2 Ų46.270%0.69623%0.225SC*.THydrogen-bonded Turntrans57.927.7-175.4-54.6176.38.200113.8H55 V56 Y61H55-Q59 PolarHBondContact O-N 2.9Å; V56-Q59 PolarHBondContact O-N 2.91Å; V56-Q59 VanDerWaalsContact O-N 3.08Å; Q59-Y61 HydrophobicContact CB-CE2 4.2Å; Q59-Y61 PolarHBondContact O-N 2.89Å
60Q96.3Very high96.5Very high58 Ų5850.1 Ų50.127%0.27124%0.242SC..  trans-96.364.2177.8-66.1175.5200110H55 L58 D62 K63 A64H55-Q60 HydrophobicContact CB-CB 4.12Å; H55-Q60 PolarHBondContact CE1-OE1 3.29Å; H55-Q60 PolarHBondContact ND1-OE1 3.49Å; H55-Q60 PolarHBondContact O-N 3.31Å; L58-Q60 HydrophobicContact CB-CG 4.11Å; L58-Q60 PolarHBondContact O-N 3.1Å; Q60-D62 PolarHBondContact O-N 2.96Å; Q60-K63 HydrophobicContact CB-CB 4.41Å; Q60-K63 HydrophobicContact CB-CD 4.34Å; Q60-K63 PolarHBondContact O-N 2.93Å; Q60-A64 PolarHBondContact O-N 3.39Å; Q60-A64 VanDerWaalsContact O-N 3.07Å
61Y95.9Very high96.5Very high44 Ų4448.9 Ų48.917%0.17324%0.236CC..Hα-helixtrans-63.4-37.4-168.6-55-56000113.6Q59 K63 A64 L65 E91 L92Q59-Y61 HydrophobicContact CB-CE2 4.2Å; Q59-Y61 PolarHBondContact O-N 2.89Å; Y61-K63 VanDerWaalsContact C-N 3.32Å; Y61-K63 PolarHBondContact O-N 3.04Å; Y61-A64 PolarHBondContact O-N 3.48Å; Y61-L65 WeakPolarHBondContact O-CG 3.44Å; Y61-L65 PolarHBondContact O-N 2.89Å; Y61-E91 HydrophobicContact CD1-CB 4.01Å; Y61-E91 HydrophobicContact CD1-CG 4.37Å; Y61-E91 HydrophobicContact CD2-CB 3.95Å; Y61-E91 HydrophobicContact CE1-CB 3.72Å; Y61-E91 HydrophobicContact CE1-CG 3.72Å; Y61-E91 HydrophobicContact CE2-CB 3.62Å; Y61-E91 HydrophobicContact CE2-CG 4.28Å; Y61-E91 HydrophobicContact CG-CB 4.12Å; Y61-E91 VanDerWaalsContact CZ-CB 3.49Å; Y61-E91 PolarHBondContact OH-OE2 3.11Å; Y61-L92 HydrophobicContact CD2-CD2 4.5Å
62D95.1Very high96.5Very high118 Ų11848.4 Ų48.463%0.63124%0.236SC*.Hα-helixtrans-61.6-40.2177.4-59.6-47.3000112.6Q60 L65 A66Q60-D62 PolarHBondContact O-N 2.96Å; D62-L65 PolarHBondContact O-N 3.3Å; D62-A66 PolarHBondContact O-N 3.41Å; D62-A66 VanDerWaalsContact O-N 3.12Å
63K96.3Very high96.5Very high116 Ų11655.1 Ų55.150%0.50427%0.267SS..Hα-helixtrans-69.7-40.4176.6-64.2-176.7-174.8174.40111.1H55 Q60 Y61 L65 A66 D67H55-K63 HydrophobicContact CB-CB 4.44Å; Q60-K63 HydrophobicContact CB-CB 4.41Å; Q60-K63 HydrophobicContact CB-CD 4.34Å; Q60-K63 PolarHBondContact O-N 2.93Å; Y61-K63 VanDerWaalsContact C-N 3.32Å; Y61-K63 PolarHBondContact O-N 3.04Å; K63-L65 VanDerWaalsContact C-N 3.34Å; K63-A66 PolarHBondContact O-N 2.94Å; K63-D67 PolarHBondContact O-N 3.05Å
64A97.1Very high96.5Very high0 Ų057.3 Ų57.30%028%0.279CS..Hα-helixtrans-63-40175.800000111.9A52 H55 V56 Q60 Y61 D67 C68 C88A52-A64 HydrophobicContact CB-CB 4.41Å; H55-A64 HydrophobicContact CB-CB 3.76Å; V56-A64 HydrophobicContact CG2-CB 3.88Å; Q60-A64 PolarHBondContact O-N 3.39Å; Q60-A64 VanDerWaalsContact O-N 3.07Å; Y61-A64 PolarHBondContact O-N 3.48Å; A64-D67 PolarHBondContact O-N 2.89Å; A64-C68 WeakPolarHBondContact O-CB 3.34Å; A64-C68 PolarHBondContact O-N 3.25Å; A64-C68 PolarHBondContact O-SG 2.94Å; A64-C88 WeakPolarHBondContact CB-SG 3.23Å
65L96.7Very high96.4Very high18 Ų1860.4 Ų60.49%0.09430%0.295CS..Hα-helixtrans-60.3-47.3173.8-78.2-178.2000111.7Y61 D62 K63 D67 C68 K69 L85 C88 L92Y61-L65 WeakPolarHBondContact O-CG 3.44Å; Y61-L65 PolarHBondContact O-N 2.89Å; D62-L65 PolarHBondContact O-N 3.3Å; K63-L65 VanDerWaalsContact C-N 3.34Å; L65-D67 VanDerWaalsContact C-N 3.33Å; L65-D67 PolarHBondContact O-N 3.22Å; L65-C68 PolarHBondContact O-N 2.63Å; L65-K69 WeakPolarHBondContact O-CG 3.38Å; L65-K69 PolarHBondContact O-N 2.96Å; L65-L85 HydrophobicContact CD2-CD1 3.47Å; L65-L85 VanDerWaalsContact CD2-CD1 3.47Å; L65-L85 HydrophobicContact CD2-CG 4.37Å; L65-C88 HydrophobicContact CD2-CB 3.5Å; L65-C88 HydrophobicContact CG-CB 3.82Å; L65-L92 HydrophobicContact CD1-CD1 3.34Å; L65-L92 HydrophobicContact CG-CD1 4.13Å
66A97Very high96.3Very high49 Ų4962.9 Ų62.941%0.40532%0.315SS..Hα-helixtrans-59.8-44.417800000111.5D62 K63 K69 H70D62-A66 PolarHBondContact O-N 3.41Å; D62-A66 VanDerWaalsContact O-N 3.12Å; K63-A66 PolarHBondContact O-N 2.94Å; A66-K69 PolarHBondContact O-N 2.95Å; A66-H70 PolarHBondContact O-N 2.9Å
67D97.7Very high96.3Very high7 Ų766.6 Ų66.64%0.03733%0.332CS..Hα-helixtrans-64.4-41.2176.3-81.8-14000112.6Y48 R51 A52 H55 K63 A64 L65 H70 A71Y48-D67 WeakPolarHBondContact CB-O 3.43Å; R51-D67 WeakPolarHBondContact CB-OD2 3.28Å; R51-D67 WeakPolarHBondContact CG-OD2 3.16Å; R51-D67 IonicContact CZ-OD1 3.38Å; R51-D67 IonicContact CZ-OD2 3.68Å; R51-D67 IonicContact NE-OD1 3.3Å; R51-D67 PolarHBondContact NE-OD1 3.48Å; R51-D67 IonicContact NE-OD2 2.8Å; R51-D67 PolarHBondContact NE-OD2 3.32Å; R51-D67 IonicContact NH2-OD1 2.66Å; R51-D67 PolarHBondContact NH2-OD1 3.02Å; R51-D67 IonicContact NH2-OD2 3.73Å; A52-D67 HydrophobicContact CB-CB 3.77Å; H55-D67 IonicContact CD2-OD2 3.4Å; H55-D67 PolarHBondContact CD2-OD2 3.03Å; H55-D67 IonicContact NE2-OD2 3.81Å; K63-D67 PolarHBondContact O-N 3.05Å; A64-D67 PolarHBondContact O-N 2.89Å; L65-D67 VanDerWaalsContact C-N 3.33Å; L65-D67 PolarHBondContact O-N 3.22Å; D67-H70 PolarHBondContact O-N 3.21Å; D67-A71 WeakPolarHBondContact O-CB 3.33Å; D67-A71 PolarHBondContact O-N 3.01Å
68C97.3Very high96.3Very high0 Ų062.1 Ų62.10%031%0.314CS..Hα-helixtrans-65.5-40177-670000111.7A52 A64 L65 A71 L72 F84 L85A52-C68 VanDerWaalsContact CB-SG 3.6Å; A64-C68 WeakPolarHBondContact O-CB 3.34Å; A64-C68 PolarHBondContact O-N 3.25Å; A64-C68 PolarHBondContact O-SG 2.94Å; L65-C68 PolarHBondContact O-N 2.63Å; C68-A71 WeakPolarHBondContact O-CB 3.47Å; C68-A71 PolarHBondContact O-N 3.33Å; C68-L72 WeakPolarHBondContact O-CG 3.29Å; C68-L72 PolarHBondContact O-N 3.26Å; C68-F84 VanDerWaalsContact SG-CB 3.59Å; C68-L85 HydrophobicContact CB-CB 3.99Å; C68-L85 HydrophobicContact CB-CD1 3.76Å; C68-L85 HydrophobicContact CB-CG 4.47Å
69K97.1Very high96.3Very high112 Ų11260 Ų6049%0.48730%0.303SS..Hα-helixtrans-62.1-47.2175.9-73.7176.3-179.2-179.20111.5L65 A66 A71 L72 E73 L85L65-K69 WeakPolarHBondContact O-CG 3.38Å; L65-K69 PolarHBondContact O-N 2.96Å; A66-K69 PolarHBondContact O-N 2.95Å; K69-A71 VanDerWaalsContact C-N 3.33Å; K69-A71 PolarHBondContact O-N 3.09Å; K69-L72 PolarHBondContact O-N 2.89Å; K69-L72 VanDerWaalsContact O-N 3.12Å; K69-E73 WeakPolarHBondContact O-CG 3.06Å; K69-E73 PolarHBondContact O-N 3.16Å; K69-L85 HydrophobicContact CG-CD1 4.27Å
70H97Very high96.3Very high86 Ų8658 Ų5840%0.39829%0.292SS..Hα-helixtrans-63.8-37.2174.3-78.6-17.4000112.9Y48 A66 D67 L72 E73 L74Y48-H70 HydrophobicContact CD1-CB 3.9Å; Y48-H70 HydrophobicContact CE1-CB 3.99Å; Y48-H70 HydrophobicContact CG-CB 4.48Å; A66-H70 PolarHBondContact O-N 2.9Å; D67-H70 PolarHBondContact O-N 3.21Å; H70-L72 VanDerWaalsContact C-N 3.26Å; H70-L72 PolarHBondContact O-N 2.79Å; H70-E73 IonicContact CE1-OE2 3.57Å; H70-E73 IonicContact CG-OE2 3.82Å; H70-E73 IonicContact ND1-OE1 3.61Å; H70-E73 IonicContact ND1-OE2 2.8Å; H70-E73 PolarHBondContact ND1-OE2 3.04Å; H70-E73 PolarHBondContact O-N 3.2Å; H70-L74 WeakPolarHBondContact O-CG 3.33Å; H70-L74 PolarHBondContact O-N 2.99Å
71A97.3Very high96.3Very high0 Ų055.2 Ų55.20%028%0.279CS..Hα-helixtrans-60-38.9173.200000111.8T49 D67 C68 K69 L74 D75 A81T49-A71 HydrophobicContact CG2-CB 3.64Å; D67-A71 WeakPolarHBondContact O-CB 3.33Å; D67-A71 PolarHBondContact O-N 3.01Å; C68-A71 WeakPolarHBondContact O-CB 3.47Å; C68-A71 PolarHBondContact O-N 3.33Å; K69-A71 VanDerWaalsContact C-N 3.33Å; K69-A71 PolarHBondContact O-N 3.09Å; A71-L74 PolarHBondContact O-N 3.43Å; A71-D75 PolarHBondContact O-N 2.93Å; A71-A81 HydrophobicContact CB-CB 3.96Å
72L96.6Very high96.4Very high29 Ų2954.1 Ų54.115%0.15228%0.275CS..Hα-helixtrans-74.9-28.1178.1-70.8172.4000113.8C68 K69 H70 L74 D75 S76 A81 H82 L85C68-L72 WeakPolarHBondContact O-CG 3.29Å; C68-L72 PolarHBondContact O-N 3.26Å; K69-L72 PolarHBondContact O-N 2.89Å; K69-L72 VanDerWaalsContact O-N 3.12Å; H70-L72 VanDerWaalsContact C-N 3.26Å; H70-L72 PolarHBondContact O-N 2.79Å; L72-L74 VanDerWaalsContact C-N 3.27Å; L72-D75 CarbonylContact O-C 3.39Å; L72-S76 VanDerWaalsContact O-CA 3.27Å; L72-S76 WeakPolarHBondContact O-CA 3.2Å; L72-S76 PolarHBondContact O-N 2.87Å; L72-S76 VanDerWaalsContact O-N 3.12Å; L72-A81 HydrophobicContact CD2-CB 3.66Å; L72-A81 HydrophobicContact CG-CB 3.77Å; L72-H82 VanDerWaalsContact CD2-NE2 3.32Å; L72-H82 WeakPolarHBondContact CD2-NE2 3.48Å; L72-L85 HydrophobicContact CD1-CD2 3.76Å
73E97.1Very high96.5Very high142 Ų14250.3 Ų50.366%0.66425%0.254SS*.Hα-helixtrans-64.2-35.9169.7-72.5165.6-17100111.3K69 H70K69-E73 WeakPolarHBondContact O-CG 3.06Å; K69-E73 PolarHBondContact O-N 3.16Å; H70-E73 IonicContact CE1-OE2 3.57Å; H70-E73 IonicContact CG-OE2 3.82Å; H70-E73 IonicContact ND1-OE1 3.61Å; H70-E73 IonicContact ND1-OE2 2.8Å; H70-E73 PolarHBondContact ND1-OE2 3.04Å; H70-E73 PolarHBondContact O-N 3.2Å
74L96.1Very high96.5Very high82 Ų8245.8 Ų45.843%0.42923%0.234SC..Hα-helixtrans-83-39.8177.4-64.5172.9000112.8P42 A45 Y48 H70 A71 L72P42-L74 WeakPolarHBondContact O-CD1 3.37Å; A45-L74 HydrophobicContact CB-CB 3.92Å; A45-L74 HydrophobicContact CB-CD1 4.48Å; Y48-L74 HydrophobicContact CD2-CD1 3.85Å; Y48-L74 HydrophobicContact CE2-CD1 3.56Å; H70-L74 WeakPolarHBondContact O-CG 3.33Å; H70-L74 PolarHBondContact O-N 2.99Å; A71-L74 PolarHBondContact O-N 3.43Å; L72-L74 VanDerWaalsContact C-N 3.27Å
75D95.3Very high96.4Very high66 Ų6646.3 Ų46.335%0.35324%0.237SC..  trans-140.390.1-179.917714.4000110.5A45 A71 L72 Q77 S78A45-D75 HydrophobicContact CB-CB 3.8Å; A71-D75 PolarHBondContact O-N 2.93Å; L72-D75 CarbonylContact O-C 3.39Å; D75-Q77 PolarHBondContact O-N 3.31Å; D75-Q77 VanDerWaalsContact O-N 3.14Å; D75-Q77 PolarHBondContact OD1-N 3.1Å; D75-Q77 VanDerWaalsContact OD1-N 3.09Å; D75-S78 VanDerWaalsContact O-CB 3.31Å; D75-S78 WeakPolarHBondContact O-CB 3.36Å; D75-S78 PolarHBondContact O-N 2.92Å; D75-S78 VanDerWaalsContact O-N 3.13Å; D75-S78 PolarHBondContact OD1-N 3.28Å; D75-S78 VanDerWaalsContact OD2-CB 3.31Å; D75-S78 WeakPolarHBondContact OD2-CB 3.21Å
76S95Very high96.4Very high72 Ų7245.5 Ų45.550%0.50323%0.232SC..THydrogen-bonded Turntrans-62.1-20.4179.666.80000114.1L72 H82L72-S76 VanDerWaalsContact O-CA 3.27Å; L72-S76 WeakPolarHBondContact O-CA 3.2Å; L72-S76 PolarHBondContact O-N 2.87Å; L72-S76 VanDerWaalsContact O-N 3.12Å; S76-H82 PolarHBondContact O-NE2 2.84Å
77Q95.1Very high96.3Very high91 Ų9146 Ų4643%0.42523%0.226SC..THydrogen-bonded Turntrans-97.17.5-177.5-56.7-61.2-5400111.9D75 V79 Q112D75-Q77 PolarHBondContact O-N 3.31Å; D75-Q77 VanDerWaalsContact O-N 3.14Å; D75-Q77 PolarHBondContact OD1-N 3.1Å; D75-Q77 VanDerWaalsContact OD1-N 3.09Å; Q77-V79 PolarHBondContact O-N 2.89Å; Q77-Q112 PolarHBondContact O-NE2 3.28Å
78S95.6Very high96.3Very high16 Ų1645.7 Ų45.711%0.11222%0.224CC..  trans-68.4107.2-177.9-168.30000112.1D75 K80 A81 H82D75-S78 VanDerWaalsContact O-CB 3.31Å; D75-S78 WeakPolarHBondContact O-CB 3.36Å; D75-S78 PolarHBondContact O-N 2.92Å; D75-S78 VanDerWaalsContact O-N 3.13Å; D75-S78 PolarHBondContact OD1-N 3.28Å; D75-S78 VanDerWaalsContact OD2-CB 3.31Å; D75-S78 WeakPolarHBondContact OD2-CB 3.21Å; S78-K80 VanDerWaalsContact C-N 3.29Å; S78-K80 PolarHBondContact O-N 3.39Å; S78-A81 PolarHBondContact O-N 3.33Å; S78-H82 PolarHBondContact O-CD2 3.24Å; S78-H82 PolarHBondContact O-N 2.97Å; S78-H82 VanDerWaalsContact O-N 3.16Å
79V95.9Very high96.2Very high6 Ų646.7 Ų46.74%0.03623%0.229CC..Hα-helixtrans-56.3-44.7176.8-178.30000111.7Q77 A81 H82 F83 A105 L108 A109 L114 F116 I120Q77-V79 PolarHBondContact O-N 2.89Å; V79-A81 VanDerWaalsContact C-N 3.35Å; V79-A81 PolarHBondContact O-N 2.82Å; V79-H82 PolarHBondContact O-N 3.3Å; V79-F83 WeakPolarHBondContact O-CB 3.45Å; V79-F83 PolarHBondContact O-N 3.04Å; V79-A105 HydrophobicContact CG1-CB 4.27Å; V79-A105 WeakPolarHBondContact CG1-O 3.38Å; V79-L108 HydrophobicContact CG2-CB 3.78Å; V79-A109 HydrophobicContact CG1-CB 4Å; V79-A109 HydrophobicContact CG2-CB 4.43Å; V79-L114 HydrophobicContact CB-CD1 4.38Å; V79-L114 HydrophobicContact CG2-CD1 3.8Å; V79-F116 HydrophobicContact CB-CE2 4.28Å; V79-F116 HydrophobicContact CB-CZ 4.33Å; V79-F116 HydrophobicContact CG1-CD2 4.34Å; V79-F116 HydrophobicContact CG1-CE2 3.57Å; V79-F116 HydrophobicContact CG1-CZ 3.86Å; V79-I120 HydrophobicContact CG1-CD1 4.06Å
80K95.4Very high96.1Very high106 Ų10641.9 Ų41.946%0.46121%0.209SC..Hα-helixtrans-65.9-37.7-179-70.6-175.6179.7-179.40112S78 F83 F84S78-K80 VanDerWaalsContact C-N 3.29Å; S78-K80 PolarHBondContact O-N 3.39Å; K80-F83 PolarHBondContact O-N 3.16Å; K80-F84 HydrophobicContact CB-CD2 4.45Å; K80-F84 HydrophobicContact CB-CE2 4.1Å; K80-F84 WeakPolarHBondContact O-CB 3.32Å; K80-F84 WeakPolarHBondContact O-CD2 3.47Å; K80-F84 VanDerWaalsContact O-CG 3.31Å; K80-F84 WeakPolarHBondContact O-CG 3.32Å; K80-F84 PolarHBondContact O-N 3.09Å
81A96.6Very high95.9Very high0 Ų041.5 Ų41.50%021%0.207CC..Hα-helixtrans-66.5-46.2178.800000111.1T49 A71 L72 S78 V79 F83 F84 L85T49-A81 HydrophobicContact CG2-CB 3.83Å; A71-A81 HydrophobicContact CB-CB 3.96Å; L72-A81 HydrophobicContact CD2-CB 3.66Å; L72-A81 HydrophobicContact CG-CB 3.77Å; S78-A81 PolarHBondContact O-N 3.33Å; V79-A81 VanDerWaalsContact C-N 3.35Å; V79-A81 PolarHBondContact O-N 2.82Å; A81-F83 VanDerWaalsContact C-N 3.34Å; A81-F83 PolarHBondContact O-N 2.86Å; A81-F84 PolarHBondContact O-N 3.34Å; A81-L85 WeakPolarHBondContact O-CB 3.24Å; A81-L85 PolarHBondContact O-N 3.22Å
82H97.5Very high95.8Very high20 Ų2044.2 Ų44.29%0.09322%0.221CC..Hα-helixtrans-61.5-40.9173.8-76.3-68.5000112.2L72 S76 S78 V79 L85 G86 A105 L108L72-H82 VanDerWaalsContact CD2-NE2 3.32Å; L72-H82 WeakPolarHBondContact CD2-NE2 3.48Å; S76-H82 PolarHBondContact O-NE2 2.84Å; S78-H82 PolarHBondContact O-CD2 3.24Å; S78-H82 PolarHBondContact O-N 2.97Å; S78-H82 VanDerWaalsContact O-N 3.16Å; V79-H82 PolarHBondContact O-N 3.3Å; H82-L85 PolarHBondContact O-N 2.95Å; H82-G86 PolarHBondContact O-N 3.25Å; H82-A105 HydrophobicContact CB-CB 3.81Å; H82-L108 WeakPolarHBondContact CD2-CD1 3.32Å
83F96.6Very high95.7Very high39 Ų3949.2 Ų49.217%0.17124%0.244CC..Hα-helixtrans-62.7-49.8177.8178.3-99.2000112.4V79 K80 A81 L85 G86 Q87 L102 A105 I120 A123V79-F83 WeakPolarHBondContact O-CB 3.45Å; V79-F83 PolarHBondContact O-N 3.04Å; K80-F83 PolarHBondContact O-N 3.16Å; A81-F83 VanDerWaalsContact C-N 3.34Å; A81-F83 PolarHBondContact O-N 2.86Å; F83-L85 VanDerWaalsContact C-N 3.35Å; F83-L85 PolarHBondContact O-N 3.47Å; F83-G86 PolarHBondContact O-N 3.4Å; F83-Q87 PolarHBondContact O-N 3.04Å; F83-L102 HydrophobicContact CD2-CD2 3.65Å; F83-L102 HydrophobicContact CE2-CD2 4.02Å; F83-L102 HydrophobicContact CG-CD2 4.46Å; F83-A105 HydrophobicContact CB-CB 4.08Å; F83-I120 HydrophobicContact CD2-CB 4.47Å; F83-I120 HydrophobicContact CD2-CG1 3.91Å; F83-I120 HydrophobicContact CD2-CG2 4.45Å; F83-I120 HydrophobicContact CE2-CG1 4.2Å; F83-A123 HydrophobicContact CE2-CB 3.82Å; F83-A123 HydrophobicContact CZ-CB 4.42Å
84F96.2Very high95.6Very high21 Ų2145.8 Ų45.89%0.09223%0.23CC..Hα-helixtrans-67.8-35.1178.1-64.3-36.5000112.3L53 C68 K80 A81 Q87 C88L53-F84 HydrophobicContact CB-CE1 4.49Å; L53-F84 HydrophobicContact CB-CE2 4.06Å; L53-F84 HydrophobicContact CB-CZ 4.01Å; L53-F84 HydrophobicContact CD1-CD1 4.47Å; L53-F84 HydrophobicContact CD1-CE1 3.76Å; L53-F84 HydrophobicContact CD1-CZ 3.93Å; L53-F84 HydrophobicContact CD2-CZ 4.05Å; L53-F84 HydrophobicContact CG-CZ 4.2Å; C68-F84 VanDerWaalsContact SG-CB 3.59Å; K80-F84 HydrophobicContact CB-CD2 4.45Å; K80-F84 HydrophobicContact CB-CE2 4.1Å; K80-F84 WeakPolarHBondContact O-CB 3.32Å; K80-F84 WeakPolarHBondContact O-CD2 3.47Å; K80-F84 VanDerWaalsContact O-CG 3.31Å; K80-F84 WeakPolarHBondContact O-CG 3.32Å; K80-F84 PolarHBondContact O-N 3.09Å; A81-F84 PolarHBondContact O-N 3.34Å; F84-Q87 PolarHBondContact O-N 3.35Å; F84-C88 PolarHBondContact O-N 3.46Å; F84-C88 PolarHBondContact O-SG 3.07Å
85L96.4Very high95.3Very high11 Ų1143.4 Ų43.46%0.05822%0.216CC..Hα-helixtrans-60.9-46.4173.5-170.172.8000110.7L65 C68 K69 L72 A81 H82 F83 C88 H89 N101L65-L85 HydrophobicContact CD2-CD1 3.47Å; L65-L85 VanDerWaalsContact CD2-CD1 3.47Å; L65-L85 HydrophobicContact CD2-CG 4.37Å; C68-L85 HydrophobicContact CB-CB 3.99Å; C68-L85 HydrophobicContact CB-CD1 3.76Å; C68-L85 HydrophobicContact CB-CG 4.47Å; K69-L85 HydrophobicContact CG-CD1 4.27Å; L72-L85 HydrophobicContact CD1-CD2 3.76Å; A81-L85 WeakPolarHBondContact O-CB 3.24Å; A81-L85 PolarHBondContact O-N 3.22Å; H82-L85 PolarHBondContact O-N 2.95Å; F83-L85 VanDerWaalsContact C-N 3.35Å; F83-L85 PolarHBondContact O-N 3.47Å; L85-C88 PolarHBondContact O-N 3.5Å; L85-H89 PolarHBondContact O-CD2 2.94Å; L85-H89 VanDerWaalsContact O-CD2 3.25Å; L85-H89 PolarHBondContact O-N 3.43Å; L85-N101 WeakPolarHBondContact CD2-OD1 3.46Å
86G96.1Very high95.1Very high0 Ų045.1 Ų45.10%023%0.225CC..Hα-helixtrans-61.8-41.9174.900000112.9H82 F83 C88 H89 L90 A98H82-G86 PolarHBondContact O-N 3.25Å; F83-G86 PolarHBondContact O-N 3.4Å; G86-C88 PolarHBondContact O-N 3.48Å; G86-H89 PolarHBondContact O-N 2.63Å; G86-L90 WeakPolarHBondContact O-CB 3.37Å; G86-L90 PolarHBondContact O-N 2.67Å; G86-A98 WeakPolarHBondContact O-CB 3.47Å
87Q95.1Very high95.1Very high60 Ų6046.2 Ų46.228%0.2822%0.222SC..Hα-helixtrans-64.2-39.4175.4-171.5172.915.400112.4F83 F84 L90 E91F83-Q87 PolarHBondContact O-N 3.04Å; F84-Q87 PolarHBondContact O-N 3.35Å; Q87-L90 WeakPolarHBondContact O-CB 3.37Å; Q87-L90 PolarHBondContact O-N 3.44Å; Q87-E91 WeakPolarHBondContact O-CG 3.45Å; Q87-E91 PolarHBondContact O-N 2.98Å
88C96.3Very high95.1Very high0 Ų041.9 Ų41.90%020%0.202CC..Hα-helixtrans-66.6-43.5176.1-65.50000111.6V56 A64 L65 F84 L85 G86 L90 E91 L92V56-C88 VanDerWaalsContact CG2-SG 3.56Å; A64-C88 WeakPolarHBondContact CB-SG 3.23Å; L65-C88 HydrophobicContact CD2-CB 3.5Å; L65-C88 HydrophobicContact CG-CB 3.82Å; F84-C88 PolarHBondContact O-N 3.46Å; F84-C88 PolarHBondContact O-SG 3.07Å; L85-C88 PolarHBondContact O-N 3.5Å; G86-C88 PolarHBondContact O-N 3.48Å; C88-L90 VanDerWaalsContact C-N 3.26Å; C88-L90 PolarHBondContact O-N 3.49Å; C88-E91 PolarHBondContact O-N 3.17Å; C88-L92 WeakPolarHBondContact O-CG 3.48Å; C88-L92 PolarHBondContact O-N 2.88Å
89H96.6Very high94.9Very high21 Ų2142 Ų4210%0.09720%0.201CC..Hα-helixtrans-62-35.6175.3-81.6-59.3000112.5L85 G86 E91 L92 E93 N94 E97 A98L85-H89 PolarHBondContact O-CD2 2.94Å; L85-H89 VanDerWaalsContact O-CD2 3.25Å; L85-H89 PolarHBondContact O-N 3.43Å; G86-H89 PolarHBondContact O-N 2.63Å; H89-E91 VanDerWaalsContact C-N 3.32Å; H89-E91 PolarHBondContact O-N 2.71Å; H89-L92 CarbonylContact O-C 3.54Å; H89-L92 PolarHBondContact O-N 2.64Å; H89-E93 PolarHBondContact O-N 2.62Å; H89-N94 HydrophobicContact CB-CB 4.17Å; H89-N94 PolarHBondContact O-N 2.81Å; H89-E97 HydrophobicContact CB-CB 4.4Å; H89-A98 HydrophobicContact CB-CB 3.83Å
90L94.1Very high94.7Very high12 Ų1243 Ų436%0.06321%0.212CC..Hα-helixtrans-62.9-37.6176.1-175.463.3000112.8G86 Q87 C88 Y95 A98 I126 A127 K130G86-L90 WeakPolarHBondContact O-CB 3.37Å; G86-L90 PolarHBondContact O-N 2.67Å; Q87-L90 WeakPolarHBondContact O-CB 3.37Å; Q87-L90 PolarHBondContact O-N 3.44Å; C88-L90 VanDerWaalsContact C-N 3.26Å; C88-L90 PolarHBondContact O-N 3.49Å; L90-Y95 HydrophobicContact CD1-CD1 3.97Å; L90-Y95 HydrophobicContact CD1-CE1 4.24Å; L90-A98 HydrophobicContact CB-CB 4.02Å; L90-A98 HydrophobicContact CD1-CB 4.49Å; L90-I126 HydrophobicContact CD2-CG2 4.19Å; L90-A127 HydrophobicContact CD1-CB 3.77Å; L90-A127 HydrophobicContact CD2-CB 4.47Å; L90-K130 HydrophobicContact CD1-CB 4.29Å; L90-K130 HydrophobicContact CD1-CD 3.79Å; L90-K130 HydrophobicContact CD1-CG 4.47Å; L90-K130 HydrophobicContact CG-CD 4.19Å
91E93.9Very high94.8Very high78 Ų7839 Ų3936%0.36420%0.196SC..Hα-helixtrans-79.3-21.4177.5-65.2-61.7131.500112.8Y61 Q87 C88 H89 E93 K130Y61-E91 HydrophobicContact CD1-CB 4.01Å; Y61-E91 HydrophobicContact CD1-CG 4.37Å; Y61-E91 HydrophobicContact CD2-CB 3.95Å; Y61-E91 HydrophobicContact CE1-CB 3.72Å; Y61-E91 HydrophobicContact CE1-CG 3.72Å; Y61-E91 HydrophobicContact CE2-CB 3.62Å; Y61-E91 HydrophobicContact CE2-CG 4.28Å; Y61-E91 HydrophobicContact CG-CB 4.12Å; Y61-E91 VanDerWaalsContact CZ-CB 3.49Å; Y61-E91 PolarHBondContact OH-OE2 3.11Å; Q87-E91 WeakPolarHBondContact O-CG 3.45Å; Q87-E91 PolarHBondContact O-N 2.98Å; C88-E91 PolarHBondContact O-N 3.17Å; H89-E91 VanDerWaalsContact C-N 3.32Å; H89-E91 PolarHBondContact O-N 2.71Å; E91-E93 VanDerWaalsContact C-N 3.31Å; E91-K130 IonicContact OE1-NZ 3.11Å; E91-K130 PolarHBondContact OE1-NZ 2.91Å
92L94.3Very high94.6Very high56 Ų5639 Ų3929%0.29320%0.196SC..THydrogen-bonded Turntrans-91.310173.4-67.5168.9000113Y61 L65 C88 H89 N94Y61-L92 HydrophobicContact CD2-CD2 4.5Å; L65-L92 HydrophobicContact CD1-CD1 3.34Å; L65-L92 HydrophobicContact CG-CD1 4.13Å; C88-L92 WeakPolarHBondContact O-CG 3.48Å; C88-L92 PolarHBondContact O-N 2.88Å; H89-L92 CarbonylContact O-C 3.54Å; H89-L92 PolarHBondContact O-N 2.64Å; L92-N94 PolarHBondContact O-N 3.43Å; L92-N94 VanDerWaalsContact O-N 3.13Å; L92-N94 PolarHBondContact O-OD1 2.98Å
93E93.9Very high94.4Very high134 Ų13442.3 Ų42.363%0.62621%0.211SC*.THydrogen-bonded Turntrans61.615.7-179.7-50.7-174.1172.300115.2H89 E91 Y95H89-E93 PolarHBondContact O-N 2.62Å; E91-E93 VanDerWaalsContact C-N 3.31Å; E93-Y95 VanDerWaalsContact C-N 3.31Å; E93-Y95 HydrophobicContact CB-CE1 4.45Å; E93-Y95 HydrophobicContact CB-CE2 4.01Å; E93-Y95 VanDerWaalsContact O-CD2 3.25Å; E93-Y95 WeakPolarHBondContact O-CD2 3.46Å; E93-Y95 WeakPolarHBondContact O-CE2 3.31Å; E93-Y95 PolarHBondContact O-N 3.27Å; E93-Y95 VanDerWaalsContact O-N 3.1Å
94N94.9Very high94.3Very high70 Ų7046 Ų4637%0.37423%0.227SC..  trans-87.173.1173.4-69.8-2.5000109.5H89 L92 D96 A98H89-N94 HydrophobicContact CB-CB 4.17Å; H89-N94 PolarHBondContact O-N 2.81Å; L92-N94 PolarHBondContact O-N 3.43Å; L92-N94 VanDerWaalsContact O-N 3.13Å; L92-N94 PolarHBondContact O-OD1 2.98Å; N94-D96 PolarHBondContact O-N 3.43Å; N94-A98 WeakPolarHBondContact O-CB 3.39Å; N94-A98 PolarHBondContact O-N 3.44Å
95Y91.3Very high94.3Very high33 Ų3345 Ų4513%0.12922%0.223CC..Hα-helixtrans-68.7-35.3-167.2-55.6-62.7000114.5L90 E93 A98 I99 K130 R131L90-Y95 HydrophobicContact CD1-CD1 3.97Å; L90-Y95 HydrophobicContact CD1-CE1 4.24Å; E93-Y95 VanDerWaalsContact C-N 3.31Å; E93-Y95 HydrophobicContact CB-CE1 4.45Å; E93-Y95 HydrophobicContact CB-CE2 4.01Å; E93-Y95 VanDerWaalsContact O-CD2 3.25Å; E93-Y95 WeakPolarHBondContact O-CD2 3.46Å; E93-Y95 WeakPolarHBondContact O-CE2 3.31Å; E93-Y95 PolarHBondContact O-N 3.27Å; E93-Y95 VanDerWaalsContact O-N 3.1Å; Y95-A98 PolarHBondContact O-N 3.01Å; Y95-I99 VanDerWaalsContact O-CG1 3.31Å; Y95-I99 WeakPolarHBondContact O-CG1 3.4Å; Y95-I99 PolarHBondContact O-N 3.48Å; Y95-K130 HydrophobicContact CD1-CB 3.86Å; Y95-K130 HydrophobicContact CE1-CB 3.45Å; Y95-K130 VanDerWaalsContact CE1-CB 3.45Å; Y95-K130 HydrophobicContact CE1-CD 4.06Å; Y95-K130 HydrophobicContact CE1-CG 4.4Å; Y95-R131 HydrophobicContact CG-CB 4.08Å
96D90.1Very high93.9Very high101 Ų10146.7 Ų46.754%0.5423%0.229SC..Hα-helixtrans-67.1-45.5-179.6-69.1-46.6000110.8N94 A98 I99 G100 R131N94-D96 PolarHBondContact O-N 3.43Å; D96-A98 VanDerWaalsContact C-N 3.34Å; D96-I99 PolarHBondContact O-N 3.44Å; D96-G100 PolarHBondContact O-N 3.34Å; D96-R131 IonicContact OD1-CZ 3.26Å; D96-R131 IonicContact OD1-NE 2.71Å; D96-R131 PolarHBondContact OD1-NE 3.42Å; D96-R131 IonicContact OD1-NH2 2.71Å; D96-R131 PolarHBondContact OD1-NH2 2.82Å
97E94.8Very high93.6Very high96 Ų9650.4 Ų50.445%0.44925%0.249SC..Hα-helixtrans-66-36.9174.3-64.285.6167.500111.8H89 G100 N101H89-E97 HydrophobicContact CB-CB 4.4Å; E97-G100 PolarHBondContact O-N 3.26Å; E97-N101 WeakPolarHBondContact O-CB 2.95Å; E97-N101 PolarHBondContact O-N 2.94Å; E97-N101 PolarHBondContact O-ND2 3.07Å
98A95.1Very high93.5Very high0 Ų048.3 Ų48.30%024%0.239CC..Hα-helixtrans-59.4-52.2176.100000111.2G86 H89 L90 N94 Y95 D96 G100 N101 L102G86-A98 WeakPolarHBondContact O-CB 3.47Å; H89-A98 HydrophobicContact CB-CB 3.83Å; L90-A98 HydrophobicContact CB-CB 4.02Å; L90-A98 HydrophobicContact CD1-CB 4.49Å; N94-A98 WeakPolarHBondContact O-CB 3.39Å; N94-A98 PolarHBondContact O-N 3.44Å; Y95-A98 PolarHBondContact O-N 3.01Å; D96-A98 VanDerWaalsContact C-N 3.34Å; A98-G100 PolarHBondContact O-N 3.31Å; A98-N101 PolarHBondContact O-N 2.91Å; A98-L102 WeakPolarHBondContact O-CB 3.41Å; A98-L102 VanDerWaalsContact O-CG 3.25Å; A98-L102 WeakPolarHBondContact O-CG 3.01Å; A98-L102 PolarHBondContact O-N 3.42Å
99I91.8Very high93.3Very high19 Ų1948.6 Ų48.610%0.09724%0.242CC..Hα-helixtrans-62-46.3179.6-66.9167.4000110.4Y95 D96 N101 L102 Q103 L124 A127 K128 R131Y95-I99 VanDerWaalsContact O-CG1 3.31Å; Y95-I99 WeakPolarHBondContact O-CG1 3.4Å; Y95-I99 PolarHBondContact O-N 3.48Å; D96-I99 PolarHBondContact O-N 3.44Å; I99-N101 VanDerWaalsContact C-N 3.34Å; I99-N101 PolarHBondContact O-N 3.31Å; I99-L102 PolarHBondContact O-N 2.89Å; I99-Q103 HydrophobicContact CG2-CG 4.19Å; I99-Q103 WeakPolarHBondContact O-CB 3.1Å; I99-Q103 VanDerWaalsContact O-CG 3.31Å; I99-Q103 WeakPolarHBondContact O-CG 3.26Å; I99-Q103 PolarHBondContact O-N 2.98Å; I99-L124 HydrophobicContact CG2-CD2 4.22Å; I99-A127 HydrophobicContact CG1-CB 3.72Å; I99-K128 HydrophobicContact CD1-CG 4.06Å; I99-R131 HydrophobicContact CD1-CB 4.2Å
100G92.4Very high92.7Very high26 Ų2651.3 Ų51.327%0.26825%0.253SS..Hα-helixtrans-59.7-40.9-179.700000113.3D96 E97 A98 K104D96-G100 PolarHBondContact O-N 3.34Å; E97-G100 PolarHBondContact O-N 3.26Å; A98-G100 PolarHBondContact O-N 3.31Å; G100-K104 WeakPolarHBondContact O-CG 3.45Å; G100-K104 PolarHBondContact O-N 3.26Å; G100-K104 VanDerWaalsContact O-N 3.11Å
101N96.4Very high92.5Very high21 Ų2157.2 Ų57.211%0.11228%0.281CS..Hα-helixtrans-73.2-39177.1-73.2-59.8000112.6L85 E97 A98 I99 Q103 K104 A105L85-N101 WeakPolarHBondContact CD2-OD1 3.46Å; E97-N101 WeakPolarHBondContact O-CB 2.95Å; E97-N101 PolarHBondContact O-N 2.94Å; E97-N101 PolarHBondContact O-ND2 3.07Å; A98-N101 PolarHBondContact O-N 2.91Å; I99-N101 VanDerWaalsContact C-N 3.34Å; I99-N101 PolarHBondContact O-N 3.31Å; N101-Q103 VanDerWaalsContact C-N 3.35Å; N101-K104 PolarHBondContact O-N 3.47Å; N101-A105 PolarHBondContact O-N 3.04Å
102L93.8Very high92.3Very high1 Ų157.3 Ų57.31%0.00528%0.281CS..Hα-helixtrans-65.7-37.3175.7-70.2171.8000112.1F83 A98 I99 A105 Y106 A123 L124 A127F83-L102 HydrophobicContact CD2-CD2 3.65Å; F83-L102 HydrophobicContact CE2-CD2 4.02Å; F83-L102 HydrophobicContact CG-CD2 4.46Å; A98-L102 WeakPolarHBondContact O-CB 3.41Å; A98-L102 VanDerWaalsContact O-CG 3.25Å; A98-L102 WeakPolarHBondContact O-CG 3.01Å; A98-L102 PolarHBondContact O-N 3.42Å; I99-L102 PolarHBondContact O-N 2.89Å; L102-A105 WeakPolarHBondContact O-CB 3.46Å; L102-A105 PolarHBondContact O-N 3.5Å; L102-Y106 PolarHBondContact O-N 3.01Å; L102-A123 HydrophobicContact CD1-CB 4.03Å; L102-A123 HydrophobicContact CD2-CB 3.97Å; L102-L124 HydrophobicContact CB-CD2 3.45Å; L102-L124 VanDerWaalsContact CB-CD2 3.45Å; L102-L124 HydrophobicContact CB-CG 3.76Å; L102-L124 HydrophobicContact CD1-CD2 4.35Å; L102-A127 HydrophobicContact CD1-CB 3.92Å
103Q92.3Very high92Very high89 Ų8964.7 Ų64.742%0.41631%0.305SS..Hα-helixtrans-64.1-43.4173.1-76.4176.7-24.500111.5I99 N101 A105 Y106 N107 L124I99-Q103 HydrophobicContact CG2-CG 4.19Å; I99-Q103 WeakPolarHBondContact O-CB 3.1Å; I99-Q103 VanDerWaalsContact O-CG 3.31Å; I99-Q103 WeakPolarHBondContact O-CG 3.26Å; I99-Q103 PolarHBondContact O-N 2.98Å; N101-Q103 VanDerWaalsContact C-N 3.35Å; Q103-A105 VanDerWaalsContact C-N 3.35Å; Q103-A105 PolarHBondContact O-N 3.09Å; Q103-Y106 WeakPolarHBondContact O-CB 3.35Å; Q103-Y106 PolarHBondContact O-N 2.95Å; Q103-N107 VanDerWaalsContact O-CG 3.32Å; Q103-N107 PolarHBondContact O-N 2.86Å; Q103-N107 PolarHBondContact O-ND2 2.91Å; Q103-L124 HydrophobicContact CG-CD1 4.39Å; Q103-L124 HydrophobicContact CG-CD2 3.78Å
104K94.6Very high91.7Very high116 Ų11661.7 Ų61.750%0.50429%0.293SS..Hα-helixtrans-59.5-45.6172.7-75175.7-176.2176.60111.4G100 N101 Y106 N107 L108G100-K104 WeakPolarHBondContact O-CG 3.45Å; G100-K104 PolarHBondContact O-N 3.26Å; G100-K104 VanDerWaalsContact O-N 3.11Å; N101-K104 PolarHBondContact O-N 3.47Å; K104-Y106 VanDerWaalsContact C-N 3.3Å; K104-Y106 PolarHBondContact O-N 3.39Å; K104-N107 PolarHBondContact O-N 2.79Å; K104-L108 WeakPolarHBondContact O-CB 3.43Å; K104-L108 VanDerWaalsContact O-CG 3.23Å; K104-L108 WeakPolarHBondContact O-CG 3.39Å; K104-L108 PolarHBondContact O-N 2.85Å
105A95.1Very high91.1Very high0 Ų062.4 Ų62.40%030%0.297CS..Hα-helixtrans-58.4-43.1176.300000111.8V79 H82 F83 N101 L102 Q103 A109 I120V79-A105 HydrophobicContact CG1-CB 4.27Å; V79-A105 WeakPolarHBondContact CG1-O 3.38Å; H82-A105 HydrophobicContact CB-CB 3.81Å; F83-A105 HydrophobicContact CB-CB 4.08Å; N101-A105 PolarHBondContact O-N 3.04Å; L102-A105 WeakPolarHBondContact O-CB 3.46Å; L102-A105 PolarHBondContact O-N 3.5Å; Q103-A105 VanDerWaalsContact C-N 3.35Å; Q103-A105 PolarHBondContact O-N 3.09Å; A105-A109 VanDerWaalsContact O-CB 3.31Å; A105-A109 WeakPolarHBondContact O-CB 3.48Å; A105-A109 PolarHBondContact O-N 3.39Å; A105-I120 HydrophobicContact CB-CG2 4.49Å
106Y89.9Confident90.8Very high47 Ų4763.4 Ų63.418%0.18430%0.302CS..Hα-helixtrans-61.8-48.1176.8-178.8-101.3000112.3L102 Q103 K104 A109 K110 I120 P121 F218L102-Y106 PolarHBondContact O-N 3.01Å; Q103-Y106 WeakPolarHBondContact O-CB 3.35Å; Q103-Y106 PolarHBondContact O-N 2.95Å; K104-Y106 VanDerWaalsContact C-N 3.3Å; K104-Y106 PolarHBondContact O-N 3.39Å; Y106-A109 WeakPolarHBondContact O-CB 3.41Å; Y106-A109 PolarHBondContact O-N 2.92Å; Y106-K110 PolarHBondContact O-N 3.04Å; Y106-I120 HydrophobicContact CD2-CG2 4.35Å; Y106-P121 HydrophobicContact CE2-CG 4.29Å; Y106-F218 HydrophobicContact CD2-CE2 4.47Å; Y106-F218 HydrophobicContact CD2-CZ 4.06Å; Y106-F218 HydrophobicContact CE2-CE2 4.47Å; Y106-F218 AromaticContact CE2-CZ 3.79Å; Y106-F218 HydrophobicContact CE2-CZ 3.79Å
107N89.4Confident90.4Very high79 Ų7960 Ų6042%0.42229%0.29SS..Hα-helixtrans-63.6-44.1179.5-68.4-20000111.6Q103 K104 A109 K110 E111Q103-N107 VanDerWaalsContact O-CG 3.32Å; Q103-N107 PolarHBondContact O-N 2.86Å; Q103-N107 PolarHBondContact O-ND2 2.91Å; K104-N107 PolarHBondContact O-N 2.79Å; N107-A109 VanDerWaalsContact C-N 3.34Å; N107-A109 PolarHBondContact O-N 2.92Å; N107-K110 WeakPolarHBondContact O-CB 3.23Å; N107-K110 PolarHBondContact O-N 2.85Å; N107-K110 VanDerWaalsContact O-N 3.17Å; N107-E111 WeakPolarHBondContact O-CG 3.49Å; N107-E111 PolarHBondContact O-N 2.84Å
108L93.3Very high89.7Confident15 Ų1558.1 Ų58.18%0.07928%0.283CS..Hα-helixtrans-64.3-38.5176.2-68.5172.1000112.1V79 H82 K104 K110 E111 Q112V79-L108 HydrophobicContact CG2-CB 3.78Å; H82-L108 WeakPolarHBondContact CD2-CD1 3.32Å; K104-L108 WeakPolarHBondContact O-CB 3.43Å; K104-L108 VanDerWaalsContact O-CG 3.23Å; K104-L108 WeakPolarHBondContact O-CG 3.39Å; K104-L108 PolarHBondContact O-N 2.85Å; L108-K110 VanDerWaalsContact C-N 3.29Å; L108-K110 PolarHBondContact O-N 2.98Å; L108-E111 PolarHBondContact O-N 3.49Å; L108-Q112 VanDerWaalsContact O-CB 3.3Å; L108-Q112 WeakPolarHBondContact O-CB 3.45Å; L108-Q112 VanDerWaalsContact O-CG 3.28Å; L108-Q112 WeakPolarHBondContact O-CG 3.39Å; L108-Q112 PolarHBondContact O-N 3.31Å
109A90.9Very high89.3Confident6 Ų663.2 Ų63.25%0.0531%0.311CS..Hα-helixtrans-60.6-40.817400000111.7V79 A105 Y106 N107 R113 L114 F116 I120V79-A109 HydrophobicContact CG1-CB 4Å; V79-A109 HydrophobicContact CG2-CB 4.43Å; A105-A109 VanDerWaalsContact O-CB 3.31Å; A105-A109 WeakPolarHBondContact O-CB 3.48Å; A105-A109 PolarHBondContact O-N 3.39Å; Y106-A109 WeakPolarHBondContact O-CB 3.41Å; Y106-A109 PolarHBondContact O-N 2.92Å; N107-A109 VanDerWaalsContact C-N 3.34Å; N107-A109 PolarHBondContact O-N 2.92Å; A109-R113 PolarHBondContact O-N 3.1Å; A109-L114 HydrophobicContact CB-CB 4.47Å; A109-L114 PolarHBondContact O-N 3.25Å; A109-F116 HydrophobicContact CB-CD2 3.8Å; A109-F116 HydrophobicContact CB-CE2 3.89Å; A109-I120 HydrophobicContact CB-CD1 4Å
110K84.6Confident89.1Confident78 Ų7862.5 Ų62.534%0.33931%0.307SS..Hα-helixtrans-63.8-48.4176-173.8-176.9-175.7179.10111.3Y106 N107 L108 R113 V245Y106-K110 PolarHBondContact O-N 3.04Å; N107-K110 WeakPolarHBondContact O-CB 3.23Å; N107-K110 PolarHBondContact O-N 2.85Å; N107-K110 VanDerWaalsContact O-N 3.17Å; L108-K110 VanDerWaalsContact C-N 3.29Å; L108-K110 PolarHBondContact O-N 2.98Å; K110-R113 PolarHBondContact O-N 3.18Å; K110-V245 HydrophobicContact CD-CG2 4.17Å; K110-V245 HydrophobicContact CG-CG2 4.07Å
111E89.6Confident88.7Confident137 Ų13761.6 Ų61.664%0.6430%0.296SS*.Hα-helixtrans-62.1-43.9178.7-72.1172.7-171.100112.3N107 L108 R113N107-E111 WeakPolarHBondContact O-CG 3.49Å; N107-E111 PolarHBondContact O-N 2.84Å; L108-E111 PolarHBondContact O-N 3.49Å; E111-R113 PolarHBondContact O-N 3.04Å
112Q90.6Very high88.1Confident80 Ų8062.3 Ų62.337%0.37430%0.303SS..THydrogen-bonded Turntrans-80.30.2179-64173.129.300113.3Q77 L108 L114Q77-Q112 PolarHBondContact O-NE2 3.28Å; L108-Q112 VanDerWaalsContact O-CB 3.3Å; L108-Q112 WeakPolarHBondContact O-CB 3.45Å; L108-Q112 VanDerWaalsContact O-CG 3.28Å; L108-Q112 WeakPolarHBondContact O-CG 3.39Å; L108-Q112 PolarHBondContact O-N 3.31Å; Q112-L114 HydrophobicContact CB-CD1 4.06Å; Q112-L114 HydrophobicContact CB-CG 3.86Å; Q112-L114 PolarHBondContact O-N 2.89Å
113R87.3Confident87.8Confident211 Ų21163.1 Ų63.180%0.79631%0.31SS*.THydrogen-bonded Turntrans54.533.2-177.4-55179.3179.1-176.6-2.1113.2A109 K110 E111A109-R113 PolarHBondContact O-N 3.1Å; K110-R113 PolarHBondContact O-N 3.18Å; E111-R113 PolarHBondContact O-N 3.04Å
114L88Confident87.6Confident71 Ų7159 Ų5937%0.37229%0.29SS..  trans-81.2147.1175.2-62.5176.7000110.3V79 A109 Q112 F116 R253V79-L114 HydrophobicContact CB-CD1 4.38Å; V79-L114 HydrophobicContact CG2-CD1 3.8Å; A109-L114 HydrophobicContact CB-CB 4.47Å; A109-L114 PolarHBondContact O-N 3.25Å; Q112-L114 HydrophobicContact CB-CD1 4.06Å; Q112-L114 HydrophobicContact CB-CG 3.86Å; Q112-L114 PolarHBondContact O-N 2.89Å; L114-F116 HydrophobicContact CB-CD2 4.14Å; L114-F116 HydrophobicContact CB-CE2 3.53Å; L114-F116 HydrophobicContact CB-CZ 4.3Å; L114-F116 HydrophobicContact CD1-CE2 3.91Å; L114-F116 HydrophobicContact CD1-CZ 4.13Å; L114-F116 HydrophobicContact CG-CE2 4.37Å; L114-R253 PolarHBondContact O-NH2 2.94Å
115N82.2Confident86.9Confident84 Ų8454.3 Ų54.345%0.44927%0.27SS..  trans-111.6114.2176.5-171.821.7000111.1G117 R253N115-G117 PolarHBondContact OD1-N 3.3Å; N115-R253 VanDerWaalsContact ND2-CG 3.34Å; N115-R253 WeakPolarHBondContact ND2-CG 3.31Å; N115-R253 PolarHBondContact OD1-NE 3.08Å; N115-R253 VanDerWaalsContact OD1-NE 3.14Å; N115-R253 PolarHBondContact OD1-NH2 3.22Å
116F84.1Confident86.5Confident54 Ų5457.9 Ų57.924%0.23729%0.288CS..  trans-113.111.8172.7-64.3-82.9000112.1V79 A109 L114 D118 D119 I120V79-F116 HydrophobicContact CB-CE2 4.28Å; V79-F116 HydrophobicContact CB-CZ 4.33Å; V79-F116 HydrophobicContact CG1-CD2 4.34Å; V79-F116 HydrophobicContact CG1-CE2 3.57Å; V79-F116 HydrophobicContact CG1-CZ 3.86Å; A109-F116 HydrophobicContact CB-CD2 3.8Å; A109-F116 HydrophobicContact CB-CE2 3.89Å; L114-F116 HydrophobicContact CB-CD2 4.14Å; L114-F116 HydrophobicContact CB-CE2 3.53Å; L114-F116 HydrophobicContact CB-CZ 4.3Å; L114-F116 HydrophobicContact CD1-CE2 3.91Å; L114-F116 HydrophobicContact CD1-CZ 4.13Å; L114-F116 HydrophobicContact CG-CE2 4.37Å; F116-D118 PolarHBondContact O-N 3.1Å; F116-D119 HydrophobicContact CB-CB 4.42Å; F116-D119 VanDerWaalsContact O-CB 3.31Å; F116-D119 WeakPolarHBondContact O-CB 3.15Å; F116-D119 PolarHBondContact O-N 3.37Å; F116-I120 HydrophobicContact CB-CD1 3.97Å; F116-I120 HydrophobicContact CB-CG1 4.01Å; F116-I120 HydrophobicContact CD2-CD1 3.62Å; F116-I120 HydrophobicContact CE2-CD1 4.28Å; F116-I120 HydrophobicContact CG-CD1 3.85Å; F116-I120 HydrophobicContact CG-CG1 4.27Å
117G81.6Confident86.4Confident29 Ų2955.7 Ų55.730%0.29928%0.279SS..THydrogen-bonded Turntrans52.8-124.9-17700000111.9N115N115-G117 PolarHBondContact OD1-N 3.3Å
118D79.9Confident86.2Confident57 Ų5753.8 Ų53.831%0.30527%0.267SS..THydrogen-bonded Turntrans-95.87.5178.2-16753.1000113.2F116 P121 S122 R125F116-D118 PolarHBondContact O-N 3.1Å; D118-P121 WeakPolarHBondContact OD1-CB 3.31Å; D118-S122 WeakPolarHBondContact O-CA 3.38Å; D118-S122 WeakPolarHBondContact O-CB 3.4Å; D118-S122 PolarHBondContact O-N 3.13Å; D118-R125 VanDerWaalsContact CG-NH2 3.34Å; D118-R125 IonicContact OD1-CZ 3.13Å; D118-R125 IonicContact OD1-NH1 3.44Å; D118-R125 PolarHBondContact OD1-NH1 3.09Å; D118-R125 IonicContact OD1-NH2 2.87Å; D118-R125 PolarHBondContact OD1-NH2 3.44Å; D118-R125 VanDerWaalsContact OD1-NH2 3.13Å; D118-R125 IonicContact OD2-CZ 2.74Å; D118-R125 IonicContact OD2-NH1 3.48Å; D118-R125 IonicContact OD2-NH2 3.93Å; D118-R125 PolarHBondContact OD2-NH2 3.3Å
119D86.9Confident85.7Confident107 Ų10756.6 Ų56.657%0.57228%0.279SS*.Hα-helixtrans-64.7-51.6-174.7-69.1-20.1000112.6F116 A123F116-D119 HydrophobicContact CB-CB 4.42Å; F116-D119 VanDerWaalsContact O-CB 3.31Å; F116-D119 WeakPolarHBondContact O-CB 3.15Å; F116-D119 PolarHBondContact O-N 3.37Å; D119-A123 WeakPolarHBondContact O-CB 3.34Å; D119-A123 PolarHBondContact O-N 3.29Å; D119-A123 VanDerWaalsContact O-N 3.15Å
120I88.5Confident85.4Confident4 Ų459.6 Ų59.62%0.02129%0.291CS..Hα-helixtrans-70.3-48.6178.1-51172.8000111V79 F83 A105 Y106 A109 F116 S122 A123 L124V79-I120 HydrophobicContact CG1-CD1 4.06Å; F83-I120 HydrophobicContact CD2-CB 4.47Å; F83-I120 HydrophobicContact CD2-CG1 3.91Å; F83-I120 HydrophobicContact CD2-CG2 4.45Å; F83-I120 HydrophobicContact CE2-CG1 4.2Å; A105-I120 HydrophobicContact CB-CG2 4.49Å; Y106-I120 HydrophobicContact CD2-CG2 4.35Å; A109-I120 HydrophobicContact CB-CD1 4Å; F116-I120 HydrophobicContact CB-CD1 3.97Å; F116-I120 HydrophobicContact CB-CG1 4.01Å; F116-I120 HydrophobicContact CD2-CD1 3.62Å; F116-I120 HydrophobicContact CE2-CD1 4.28Å; F116-I120 HydrophobicContact CG-CD1 3.85Å; F116-I120 HydrophobicContact CG-CG1 4.27Å; I120-S122 PolarHBondContact O-N 2.87Å; I120-A123 PolarHBondContact O-N 3.49Å; I120-L124 HydrophobicContact CG2-CD1 4.5Å; I120-L124 PolarHBondContact O-N 3.32Å
121P83.6Confident85.6Confident7 Ų760.4 Ų60.45%0.04529%0.292CS..Hα-helixtrans-45.4-50.8168-39.442.8000116.2Y106 D118 L124 R125 F218Y106-P121 HydrophobicContact CE2-CG 4.29Å; D118-P121 WeakPolarHBondContact OD1-CB 3.31Å; P121-L124 WeakPolarHBondContact O-CB 3.5Å; P121-L124 PolarHBondContact O-N 3.21Å; P121-R125 PolarHBondContact O-N 2.82Å; P121-F218 HydrophobicContact CB-CD1 3.87Å; P121-F218 HydrophobicContact CB-CE1 3.16Å; P121-F218 HydrophobicContact CB-CZ 3.77Å; P121-F218 HydrophobicContact CG-CE1 3.48Å; P121-F218 VanDerWaalsContact CG-CE1 3.48Å; P121-F218 HydrophobicContact CG-CZ 3.68Å
122S83.2Confident85.2Confident37 Ų3756.6 Ų56.626%0.25927%0.272SS..Hα-helixtrans-64.9-43.4-177.8-176.50000110.9D118 I120 L124 R125 I126D118-S122 WeakPolarHBondContact O-CA 3.38Å; D118-S122 WeakPolarHBondContact O-CB 3.4Å; D118-S122 PolarHBondContact O-N 3.13Å; I120-S122 PolarHBondContact O-N 2.87Å; S122-L124 VanDerWaalsContact C-N 3.3Å; S122-L124 PolarHBondContact O-N 2.96Å; S122-R125 PolarHBondContact O-N 2.92Å; S122-I126 VanDerWaalsContact O-CG1 3.3Å; S122-I126 WeakPolarHBondContact O-CG1 3.31Å; S122-I126 PolarHBondContact O-N 3.34Å
123A89.2Confident84.8Confident17 Ų1755.4 Ų55.414%0.1427%0.268CS..Hα-helixtrans-59.1-39.6173.800000112.4F83 L102 D119 I120 A127F83-A123 HydrophobicContact CE2-CB 3.82Å; F83-A123 HydrophobicContact CZ-CB 4.42Å; L102-A123 HydrophobicContact CD1-CB 4.03Å; L102-A123 HydrophobicContact CD2-CB 3.97Å; D119-A123 WeakPolarHBondContact O-CB 3.34Å; D119-A123 PolarHBondContact O-N 3.29Å; D119-A123 VanDerWaalsContact O-N 3.15Å; I120-A123 PolarHBondContact O-N 3.49Å; A123-A127 VanDerWaalsContact O-CB 3.3Å; A123-A127 WeakPolarHBondContact O-CB 3.18Å; A123-A127 PolarHBondContact O-N 3.26Å
124L86.4Confident84.8Confident2 Ų246.6 Ų46.61%0.0124%0.239CC..Hα-helixtrans-64.8-44.4176.2-84.1169000112.9I99 L102 Q103 I120 P121 S122 A127 K128 F218I99-L124 HydrophobicContact CG2-CD2 4.22Å; L102-L124 HydrophobicContact CB-CD2 3.45Å; L102-L124 VanDerWaalsContact CB-CD2 3.45Å; L102-L124 HydrophobicContact CB-CG 3.76Å; L102-L124 HydrophobicContact CD1-CD2 4.35Å; Q103-L124 HydrophobicContact CG-CD1 4.39Å; Q103-L124 HydrophobicContact CG-CD2 3.78Å; I120-L124 HydrophobicContact CG2-CD1 4.5Å; I120-L124 PolarHBondContact O-N 3.32Å; P121-L124 WeakPolarHBondContact O-CB 3.5Å; P121-L124 PolarHBondContact O-N 3.21Å; S122-L124 VanDerWaalsContact C-N 3.3Å; S122-L124 PolarHBondContact O-N 2.96Å; L124-A127 PolarHBondContact O-N 3.4Å; L124-K128 PolarHBondContact O-N 2.71Å; L124-F218 HydrophobicContact CB-CD2 4.04Å; L124-F218 HydrophobicContact CB-CE2 4.4Å; L124-F218 HydrophobicContact CB-CG 4.36Å; L124-F218 HydrophobicContact CD1-CD2 3.68Å; L124-F218 HydrophobicContact CD1-CE2 3.35Å; L124-F218 HydrophobicContact CD1-CZ 4.18Å; L124-F218 HydrophobicContact CG-CD2 4.47Å; L124-F218 HydrophobicContact CG-CE2 4.49Å
125R81.1Confident84.6Confident18 Ų1846.9 Ų46.97%0.06824%0.24CC..Hα-helixtrans-60.4-46.8176.3-69.9-172.5-57.4-94.73.9111.2D118 P121 S122 A127 K128 K129 F218D118-R125 VanDerWaalsContact CG-NH2 3.34Å; D118-R125 IonicContact OD1-CZ 3.13Å; D118-R125 IonicContact OD1-NH1 3.44Å; D118-R125 PolarHBondContact OD1-NH1 3.09Å; D118-R125 IonicContact OD1-NH2 2.87Å; D118-R125 PolarHBondContact OD1-NH2 3.44Å; D118-R125 VanDerWaalsContact OD1-NH2 3.13Å; D118-R125 IonicContact OD2-CZ 2.74Å; D118-R125 IonicContact OD2-NH1 3.48Å; D118-R125 IonicContact OD2-NH2 3.93Å; D118-R125 PolarHBondContact OD2-NH2 3.3Å; P121-R125 PolarHBondContact O-N 2.82Å; S122-R125 PolarHBondContact O-N 2.92Å; R125-A127 VanDerWaalsContact C-N 3.31Å; R125-A127 PolarHBondContact O-N 2.91Å; R125-K128 PolarHBondContact O-N 3.01Å; R125-K129 WeakPolarHBondContact O-CB 3.42Å; R125-K129 PolarHBondContact O-N 3.36Å; R125-F218 HydrophobicContact CG-CB 3.86Å; R125-F218 HydrophobicContact CG-CD1 4.37Å; R125-F218 HydrophobicContact CG-CG 4.43Å
126I85.8Confident84.6Confident76 Ų7644.2 Ų44.239%0.3922%0.224SC..Hα-helixtrans-61-41.7177-64.9166.1000110.7L90 S122 K129 K130L90-I126 HydrophobicContact CD2-CG2 4.19Å; S122-I126 VanDerWaalsContact O-CG1 3.3Å; S122-I126 WeakPolarHBondContact O-CG1 3.31Å; S122-I126 PolarHBondContact O-N 3.34Å; I126-K129 PolarHBondContact O-N 3.37Å; I126-K130 PolarHBondContact O-N 3.36Å
127A88.9Confident84.6Confident0 Ų046.7 Ų46.70%024%0.24CC..Hα-helixtrans-65.5-47.6178.600000113L90 I99 L102 A123 L124 R125 K129 K130 R131L90-A127 HydrophobicContact CD1-CB 3.77Å; L90-A127 HydrophobicContact CD2-CB 4.47Å; I99-A127 HydrophobicContact CG1-CB 3.72Å; L102-A127 HydrophobicContact CD1-CB 3.92Å; A123-A127 VanDerWaalsContact O-CB 3.3Å; A123-A127 WeakPolarHBondContact O-CB 3.18Å; A123-A127 PolarHBondContact O-N 3.26Å; L124-A127 PolarHBondContact O-N 3.4Å; R125-A127 VanDerWaalsContact C-N 3.31Å; R125-A127 PolarHBondContact O-N 2.91Å; A127-K129 VanDerWaalsContact C-N 3.29Å; A127-K129 PolarHBondContact O-N 3.31Å; A127-K130 PolarHBondContact O-N 2.88Å; A127-R131 WeakPolarHBondContact O-CB 3.41Å; A127-R131 PolarHBondContact O-N 2.94Å
128K83.9Confident84.9Confident39 Ų3951.9 Ų51.917%0.1726%0.255CS..Hα-helixtrans-57.5-43.2173.5-74.9-174.9172.8-1710111.1I99 L124 R125 R131 W132 E219I99-K128 HydrophobicContact CD1-CG 4.06Å; L124-K128 PolarHBondContact O-N 2.71Å; R125-K128 PolarHBondContact O-N 3.01Å; K128-R131 WeakPolarHBondContact O-CB 3.25Å; K128-R131 PolarHBondContact O-N 2.9Å; K128-W132 PolarHBondContact O-N 3.39Å; K128-E219 IonicContact NZ-OE1 3.66Å; K128-E219 PolarHBondContact NZ-OE1 3.46Å
129K82.6Confident85.2Confident74 Ų7452.6 Ų52.632%0.32225%0.253SS..Hα-helixtrans-61.6-51176.9-177.7174.2-176.9166.80112.6R125 I126 A127 R131 W132 N133 E207R125-K129 WeakPolarHBondContact O-CB 3.42Å; R125-K129 PolarHBondContact O-N 3.36Å; I126-K129 PolarHBondContact O-N 3.37Å; A127-K129 VanDerWaalsContact C-N 3.29Å; A127-K129 PolarHBondContact O-N 3.31Å; K129-R131 VanDerWaalsContact C-N 3.31Å; K129-R131 PolarHBondContact O-N 3.17Å; K129-W132 PolarHBondContact O-N 2.97Å; K129-N133 PolarHBondContact O-N 2.89Å; K129-N133 PolarHBondContact O-OD1 2.81Å; K129-E207 WeakPolarHBondContact CE-OE1 3.46Å; K129-E207 WeakPolarHBondContact CE-OE2 3.31Å; K129-E207 IonicContact NZ-OE1 3.79Å; K129-E207 PolarHBondContact NZ-OE1 3.35Å; K129-E207 IonicContact NZ-OE2 3.29Å; K129-E207 PolarHBondContact NZ-OE2 3.27Å
130K86.4Confident85.1Confident69 Ų6949 Ų4930%0.323%0.233SC..Hα-helixtrans-62.1-39.2178.9-74.4-167.5179179.40111.9L90 E91 Y95 I126 A127 N133 S134L90-K130 HydrophobicContact CD1-CB 4.29Å; L90-K130 HydrophobicContact CD1-CD 3.79Å; L90-K130 HydrophobicContact CD1-CG 4.47Å; L90-K130 HydrophobicContact CG-CD 4.19Å; E91-K130 IonicContact OE1-NZ 3.11Å; E91-K130 PolarHBondContact OE1-NZ 2.91Å; Y95-K130 HydrophobicContact CD1-CB 3.86Å; Y95-K130 HydrophobicContact CE1-CB 3.45Å; Y95-K130 VanDerWaalsContact CE1-CB 3.45Å; Y95-K130 HydrophobicContact CE1-CD 4.06Å; Y95-K130 HydrophobicContact CE1-CG 4.4Å; I126-K130 PolarHBondContact O-N 3.36Å; A127-K130 PolarHBondContact O-N 2.88Å; K130-N133 PolarHBondContact O-N 2.87Å; K130-S134 PolarHBondContact O-N 3.47Å
131R87.6Confident85.1Confident96 Ų9653.4 Ų53.436%0.36226%0.257SS..Hα-helixtrans-56.7-50.7174.1-174.7178.1175.8-98.22.9111.8Y95 D96 I99 A127 K128 K129 S134 I135Y95-R131 HydrophobicContact CG-CB 4.08Å; D96-R131 IonicContact OD1-CZ 3.26Å; D96-R131 IonicContact OD1-NE 2.71Å; D96-R131 PolarHBondContact OD1-NE 3.42Å; D96-R131 IonicContact OD1-NH2 2.71Å; D96-R131 PolarHBondContact OD1-NH2 2.82Å; I99-R131 HydrophobicContact CD1-CB 4.2Å; A127-R131 WeakPolarHBondContact O-CB 3.41Å; A127-R131 PolarHBondContact O-N 2.94Å; K128-R131 WeakPolarHBondContact O-CB 3.25Å; K128-R131 PolarHBondContact O-N 2.9Å; K129-R131 VanDerWaalsContact C-N 3.31Å; K129-R131 PolarHBondContact O-N 3.17Å; R131-S134 PolarHBondContact O-N 3.12Å; R131-I135 HydrophobicContact CG-CD1 4.1Å; R131-I135 WeakPolarHBondContact O-CG1 3.16Å; R131-I135 PolarHBondContact O-N 2.84Å; R131-I135 VanDerWaalsContact O-N 3.09Å
132W81Confident85.4Confident56 Ų5659.3 Ų59.321%0.21228%0.284CS..Hα-helixtrans-60-48.7-179.9-179.9-98.1000111.5K128 K129 S134 I135 E136 Y284K128-W132 PolarHBondContact O-N 3.39Å; K129-W132 PolarHBondContact O-N 2.97Å; W132-S134 VanDerWaalsContact C-N 3.27Å; W132-S134 PolarHBondContact O-N 2.92Å; W132-I135 PolarHBondContact O-N 3.48Å; W132-I135 VanDerWaalsContact O-N 3.1Å; W132-E136 WeakPolarHBondContact O-CB 3.1Å; W132-E136 PolarHBondContact O-N 3.03Å; W132-Y284 HydrophobicContact CB-CE2 4.11Å; W132-Y284 AromaticContact CD2-CD2 3.93Å; W132-Y284 HydrophobicContact CD2-CD2 3.93Å; W132-Y284 AromaticContact CD2-CE2 3.45Å; W132-Y284 HydrophobicContact CD2-CE2 3.45Å; W132-Y284 VanDerWaalsContact CD2-CE2 3.45Å; W132-Y284 AromaticContact CE2-CE2 3.87Å; W132-Y284 AromaticContact CE3-CD2 3.91Å; W132-Y284 HydrophobicContact CE3-CD2 3.91Å; W132-Y284 AromaticContact CE3-CE2 3.7Å; W132-Y284 HydrophobicContact CE3-CE2 3.7Å; W132-Y284 AromaticContact CG-CE2 3.62Å; W132-Y284 HydrophobicContact CG-CE2 3.62Å; W132-Y284 HydrophobicContact CH2-CD2 4.17Å; W132-Y284 HydrophobicContact CZ2-CD2 4.2Å; W132-Y284 HydrophobicContact CZ2-CE2 4.47Å; W132-Y284 HydrophobicContact CZ3-CD2 4.03Å; W132-Y284 HydrophobicContact CZ3-CE2 4.3Å
133N83.6Confident85.6Confident55 Ų5559.3 Ų59.329%0.29428%0.28SS..Hα-helixtrans-57.7-41.4177.7-68.5-1.7000111.5K129 K130 I135 E136 D137K129-N133 PolarHBondContact O-N 2.89Å; K129-N133 PolarHBondContact O-OD1 2.81Å; K130-N133 PolarHBondContact O-N 2.87Å; N133-I135 PolarHBondContact O-N 3.44Å; N133-E136 PolarHBondContact O-N 2.71Å; N133-D137 WeakPolarHBondContact O-CB 3.44Å; N133-D137 PolarHBondContact O-N 3.28Å
134S86.4Confident85.5Confident26 Ų2662.1 Ų62.118%0.18229%0.293CS..Hα-helixtrans-63.8-38.1176.8-176.90000113.6K130 R131 W132 K138K130-S134 PolarHBondContact O-N 3.47Å; R131-S134 PolarHBondContact O-N 3.12Å; W132-S134 VanDerWaalsContact C-N 3.27Å; W132-S134 PolarHBondContact O-N 2.92Å; S134-K138 WeakPolarHBondContact O-CG 3.49Å; S134-K138 PolarHBondContact O-N 3.41Å
135I84.1Confident85.9Confident78 Ų7868.2 Ų68.240%0.432%0.321SS..Hα-helixtrans-68.9-43.1176.1-66166000110R131 W132 N133 K138 R139R131-I135 HydrophobicContact CG-CD1 4.1Å; R131-I135 WeakPolarHBondContact O-CG1 3.16Å; R131-I135 PolarHBondContact O-N 2.84Å; R131-I135 VanDerWaalsContact O-N 3.09Å; W132-I135 PolarHBondContact O-N 3.48Å; W132-I135 VanDerWaalsContact O-N 3.1Å; N133-I135 PolarHBondContact O-N 3.44Å; I135-K138 WeakPolarHBondContact O-CB 3.4Å; I135-K138 PolarHBondContact O-N 2.89Å; I135-R139 PolarHBondContact O-N 3.22Å
136E82Confident86.5Confident27 Ų2771.5 Ų71.513%0.12634%0.34CS..Hα-helixtrans-65.4-42.7179.4-175.362.7-175.200111.8W132 N133 K138 R139 I140W132-E136 WeakPolarHBondContact O-CB 3.1Å; W132-E136 PolarHBondContact O-N 3.03Å; N133-E136 PolarHBondContact O-N 2.71Å; E136-K138 VanDerWaalsContact C-N 3.29Å; E136-K138 PolarHBondContact O-N 3.41Å; E136-R139 WeakPolarHBondContact O-CB 3.47Å; E136-R139 PolarHBondContact O-N 3.29Å; E136-R139 VanDerWaalsContact O-N 3.13Å; E136-R139 IonicContact OE1-CZ 3.83Å; E136-R139 IonicContact OE1-NE 2.62Å; E136-R139 PolarHBondContact OE1-NE 3.02Å; E136-R139 IonicContact OE1-NH2 2.64Å; E136-R139 PolarHBondContact OE1-NH2 3.27Å; E136-R139 IonicContact OE2-CZ 2.67Å; E136-R139 IonicContact OE2-NE 3.17Å; E136-R139 PolarHBondContact OE2-NE 3.36Å; E136-R139 IonicContact OE2-NH2 3.71Å; E136-I140 HydrophobicContact CG-CD1 4Å; E136-I140 WeakPolarHBondContact O-CG1 3.31Å; E136-I140 PolarHBondContact O-N 3.19Å
137D84.9Confident86.8Confident106 Ų10669.8 Ų69.857%0.56733%0.33SS*.Hα-helixtrans-60.1-40.3174.9-71.7-23.7000111.2N133 N141N133-D137 WeakPolarHBondContact O-CB 3.44Å; N133-D137 PolarHBondContact O-N 3.28Å; D137-N141 WeakPolarHBondContact O-CB 3.33Å; D137-N141 PolarHBondContact O-N 3.43Å
138K87.6Confident87.1Confident138 Ų13872.8 Ų72.860%0.635%0.354SS*.Hα-helixtrans-64.2-42.7174.1-75.2173.8-177.6174.60112S134 I135 E136 N141 Q142S134-K138 WeakPolarHBondContact O-CG 3.49Å; S134-K138 PolarHBondContact O-N 3.41Å; I135-K138 WeakPolarHBondContact O-CB 3.4Å; I135-K138 PolarHBondContact O-N 2.89Å; E136-K138 VanDerWaalsContact C-N 3.29Å; E136-K138 PolarHBondContact O-N 3.41Å; K138-N141 PolarHBondContact O-N 3.04Å; K138-Q142 WeakPolarHBondContact O-CG 3.35Å; K138-Q142 PolarHBondContact O-N 3.42Å
139R85.7Confident87.7Confident73 Ų7377.5 Ų77.528%0.27537%0.372SS..Hα-helixtrans-60.8-48.8177.3-170.6-175.775.177.96.9110.8I135 E136 N141 Q142 E143I135-R139 PolarHBondContact O-N 3.22Å; E136-R139 WeakPolarHBondContact O-CB 3.47Å; E136-R139 PolarHBondContact O-N 3.29Å; E136-R139 VanDerWaalsContact O-N 3.13Å; E136-R139 IonicContact OE1-CZ 3.83Å; E136-R139 IonicContact OE1-NE 2.62Å; E136-R139 PolarHBondContact OE1-NE 3.02Å; E136-R139 IonicContact OE1-NH2 2.64Å; E136-R139 PolarHBondContact OE1-NH2 3.27Å; E136-R139 IonicContact OE2-CZ 2.67Å; E136-R139 IonicContact OE2-NE 3.17Å; E136-R139 PolarHBondContact OE2-NE 3.36Å; E136-R139 IonicContact OE2-NH2 3.71Å; R139-N141 VanDerWaalsContact C-N 3.32Å; R139-N141 PolarHBondContact O-N 2.93Å; R139-Q142 PolarHBondContact O-N 3.26Å; R139-E143 IonicContact CZ-OE1 3.6Å; R139-E143 IonicContact NH1-OE1 3.44Å; R139-E143 PolarHBondContact NH1-OE1 3.42Å; R139-E143 IonicContact NH1-OE2 3.45Å; R139-E143 WeakPolarHBondContact O-CG 3.36Å; R139-E143 PolarHBondContact O-N 2.91Å
140I84.1Confident88.3Confident30 Ų3076.7 Ų76.715%0.15437%0.371CS..Hα-helixtrans-61.2-41.7177.4-68.4167.3000110.8E136 Q142 E143 N144 R203E136-I140 HydrophobicContact CG-CD1 4Å; E136-I140 WeakPolarHBondContact O-CG1 3.31Å; E136-I140 PolarHBondContact O-N 3.19Å; I140-Q142 PolarHBondContact O-N 3.46Å; I140-E143 PolarHBondContact O-N 3.03Å; I140-N144 WeakPolarHBondContact O-CB 3.45Å; I140-N144 PolarHBondContact O-N 3.4Å; I140-N144 PolarHBondContact O-ND2 3.41Å; I140-R203 HydrophobicContact CD1-CG 3.92Å; I140-R203 HydrophobicContact CG1-CG 4.36Å
141N89.1Confident88.7Confident98 Ų9874.8 Ų74.852%0.52437%0.365SS..Hα-helixtrans-63.8-41.5178.3-169.875.3000112.2D137 K138 R139 N144 E145D137-N141 WeakPolarHBondContact O-CB 3.33Å; D137-N141 PolarHBondContact O-N 3.43Å; K138-N141 PolarHBondContact O-N 3.04Å; R139-N141 VanDerWaalsContact C-N 3.32Å; R139-N141 PolarHBondContact O-N 2.93Å; N141-N144 PolarHBondContact O-N 3.45Å; N141-E145 WeakPolarHBondContact O-CB 3.46Å; N141-E145 PolarHBondContact O-N 3.3Å
142Q89.4Confident89.2Confident130 Ų13077.5 Ų77.561%0.60738%0.38SS*.Hα-helixtrans-63-41.6175.1-73.1175-13.300112.1K138 R139 I140 E145 L146K138-Q142 WeakPolarHBondContact O-CG 3.35Å; K138-Q142 PolarHBondContact O-N 3.42Å; R139-Q142 PolarHBondContact O-N 3.26Å; I140-Q142 PolarHBondContact O-N 3.46Å; Q142-E145 PolarHBondContact O-N 3.37Å; Q142-L146 WeakPolarHBondContact O-CB 3.47Å; Q142-L146 PolarHBondContact O-N 2.95Å
143E87.1Confident89.9Confident37 Ų3778.3 Ų78.317%0.17339%0.388CS..Hα-helixtrans-62.3-45.4174.9-72.8177173.200111.7R139 I140 E145 L146 H147 F196 R203R139-E143 IonicContact CZ-OE1 3.6Å; R139-E143 IonicContact NH1-OE1 3.44Å; R139-E143 PolarHBondContact NH1-OE1 3.42Å; R139-E143 IonicContact NH1-OE2 3.45Å; R139-E143 WeakPolarHBondContact O-CG 3.36Å; R139-E143 PolarHBondContact O-N 2.91Å; I140-E143 PolarHBondContact O-N 3.03Å; E143-E145 VanDerWaalsContact C-N 3.34Å; E143-E145 PolarHBondContact O-N 2.94Å; E143-L146 PolarHBondContact O-N 3.43Å; E143-H147 WeakPolarHBondContact O-CB 3.2Å; E143-H147 PolarHBondContact O-N 3.31Å; E143-F196 WeakPolarHBondContact O-CE1 3.35Å; E143-R203 IonicContact OE2-NH2 2.94Å; E143-R203 PolarHBondContact OE2-NH2 2.8Å
144N88.9Confident90.4Very high76 Ų7677.2 Ų77.241%0.40638%0.382SS..Hα-helixtrans-65.6-38.1178.9-68.5-16.3000111.7I140 N141 H147 A148 R203I140-N144 WeakPolarHBondContact O-CB 3.45Å; I140-N144 PolarHBondContact O-N 3.4Å; I140-N144 PolarHBondContact O-ND2 3.41Å; N141-N144 PolarHBondContact O-N 3.45Å; N144-H147 PolarHBondContact O-N 3.11Å; N144-A148 WeakPolarHBondContact O-CB 3.35Å; N144-A148 PolarHBondContact O-N 3.36Å; N144-R203 PolarHBondContact OD1-NH2 3.35Å
145E94.3Very high90.8Very high130 Ų13079.8 Ų79.861%0.60739%0.393SS*.Hα-helixtrans-65.1-43.9174.8-173.1174.2-170.600111.2N141 Q142 E143 A148 Y149N141-E145 WeakPolarHBondContact O-CB 3.46Å; N141-E145 PolarHBondContact O-N 3.3Å; Q142-E145 PolarHBondContact O-N 3.37Å; E143-E145 VanDerWaalsContact C-N 3.34Å; E143-E145 PolarHBondContact O-N 2.94Å; E145-A148 PolarHBondContact O-N 3.47Å; E145-Y149 WeakPolarHBondContact O-CB 3.35Å; E145-Y149 PolarHBondContact O-N 2.97Å
146L93.6Very high91.3Very high88 Ų8877.4 Ų77.446%0.46139%0.385SS..Hα-helixtrans-62.2-44.5174.3179.862.2000111.5Q142 E143 Y149 L150 F196Q142-L146 WeakPolarHBondContact O-CB 3.47Å; Q142-L146 PolarHBondContact O-N 2.95Å; E143-L146 PolarHBondContact O-N 3.43Å; L146-Y149 PolarHBondContact O-N 3.26Å; L146-L150 HydrophobicContact CD1-CD1 4.06Å; L146-L150 HydrophobicContact CD1-CD2 4.49Å; L146-L150 HydrophobicContact CD1-CG 4.02Å; L146-L150 HydrophobicContact CG-CD1 3.98Å; L146-L150 HydrophobicContact CG-CG 4.33Å; L146-L150 WeakPolarHBondContact O-CB 3.23Å; L146-L150 VanDerWaalsContact O-CG 3.31Å; L146-L150 WeakPolarHBondContact O-CG 3.25Å; L146-L150 PolarHBondContact O-N 3Å; L146-F196 HydrophobicContact CD2-CZ 4.43Å; L146-F196 HydrophobicContact CG-CZ 4.36Å
147H92.7Very high92Very high40 Ų4079.8 Ų79.819%0.18540%0.396CS..Hα-helixtrans-56.6-52.1176.1-178.1-106.2000111.1E143 N144 Y149 L150 T151 M192 E193 F196E143-H147 WeakPolarHBondContact O-CB 3.2Å; E143-H147 PolarHBondContact O-N 3.31Å; N144-H147 PolarHBondContact O-N 3.11Å; H147-Y149 VanDerWaalsContact C-N 3.29Å; H147-Y149 PolarHBondContact O-N 2.98Å; H147-L150 PolarHBondContact O-N 3.48Å; H147-T151 WeakPolarHBondContact O-CB 3.34Å; H147-T151 PolarHBondContact O-N 3.25Å; H147-T151 PolarHBondContact O-OG1 3.49Å; H147-T151 VanDerWaalsContact O-OG1 3.09Å; H147-M192 PolarHBondContact CD2-SD 3.3Å; H147-E193 IonicContact CE1-OE1 3.08Å; H147-E193 PolarHBondContact CE1-OE1 2.86Å; H147-E193 IonicContact NE2-OE1 2.71Å; H147-E193 PolarHBondContact NE2-OE1 3.27Å; H147-E193 IonicContact NE2-OE2 3.41Å; H147-F196 HydrophobicContact CB-CD1 4.03Å; H147-F196 HydrophobicContact CB-CE1 3.75Å; H147-F196 HydrophobicContact CB-CE2 4.4Å; H147-F196 HydrophobicContact CB-CG 4.47Å; H147-F196 HydrophobicContact CB-CZ 3.95Å; H147-F196 AromaticContact CD2-CD2 3.52Å; H147-F196 AromaticContact CD2-CE2 3.87Å; H147-F196 AromaticContact CD2-CG 3.59Å
148A94.3Very high92.3Very high62 Ų6276.6 Ų76.651%0.51238%0.377SS..Hα-helixtrans-60.4-39.6178.400000112.4N144 E145 K152N144-A148 WeakPolarHBondContact O-CB 3.35Å; N144-A148 PolarHBondContact O-N 3.36Å; E145-A148 PolarHBondContact O-N 3.47Å; A148-K152 WeakPolarHBondContact O-CB 3.4Å; A148-K152 PolarHBondContact O-N 3Å
149Y96.6Very high92.6Very high138 Ų13876.2 Ų76.254%0.54138%0.377SS..Hα-helixtrans-64.1-48.8177175.7-106.5000112.4E145 L146 H147 K152 L153E145-Y149 WeakPolarHBondContact O-CB 3.35Å; E145-Y149 PolarHBondContact O-N 2.97Å; L146-Y149 PolarHBondContact O-N 3.26Å; H147-Y149 VanDerWaalsContact C-N 3.29Å; H147-Y149 PolarHBondContact O-N 2.98Å; Y149-K152 WeakPolarHBondContact O-CB 3.14Å; Y149-K152 PolarHBondContact O-N 3.13Å; Y149-L153 HydrophobicContact CD1-CD1 4.1Å; Y149-L153 HydrophobicContact CE1-CD1 3.44Å; Y149-L153 VanDerWaalsContact CE1-CD1 3.44Å; Y149-L153 HydrophobicContact CE1-CG 4.16Å; Y149-L153 HydrophobicContact CE2-CD1 4.37Å; Y149-L153 HydrophobicContact CE2-CD2 4.42Å; Y149-L153 HydrophobicContact CE2-CG 4.31Å; Y149-L153 PolarHBondContact O-N 3.49Å
150L95.1Very high92.9Very high58 Ų5878.4 Ų78.430%0.30439%0.385SS..Hα-helixtrans-64.1-43.8179.5-68.8176.3000111.7L146 H147 K152 L153 I154 F196L146-L150 HydrophobicContact CD1-CD1 4.06Å; L146-L150 HydrophobicContact CD1-CD2 4.49Å; L146-L150 HydrophobicContact CD1-CG 4.02Å; L146-L150 HydrophobicContact CG-CD1 3.98Å; L146-L150 HydrophobicContact CG-CG 4.33Å; L146-L150 WeakPolarHBondContact O-CB 3.23Å; L146-L150 VanDerWaalsContact O-CG 3.31Å; L146-L150 WeakPolarHBondContact O-CG 3.25Å; L146-L150 PolarHBondContact O-N 3Å; H147-L150 PolarHBondContact O-N 3.48Å; L150-K152 VanDerWaalsContact C-N 3.28Å; L150-K152 PolarHBondContact O-N 3.37Å; L150-L153 WeakPolarHBondContact O-CB 3.48Å; L150-L153 PolarHBondContact O-N 3.4Å; L150-L153 VanDerWaalsContact O-N 3.1Å; L150-I154 WeakPolarHBondContact O-CG1 3.34Å; L150-I154 PolarHBondContact O-N 3.17Å; L150-F196 HydrophobicContact CD1-CE2 4.23Å; L150-F196 HydrophobicContact CD1-CZ 4.35Å
151T95.1Very high93.2Very high28 Ų2879.1 Ų79.117%0.17239%0.388CS..Hα-helixtrans-57.5-43.4174.8-64.90000111.2H147 L153 I154 L155 L189 M192H147-T151 WeakPolarHBondContact O-CB 3.34Å; H147-T151 PolarHBondContact O-N 3.25Å; H147-T151 PolarHBondContact O-OG1 3.49Å; H147-T151 VanDerWaalsContact O-OG1 3.09Å; T151-L153 PolarHBondContact O-N 3.15Å; T151-I154 PolarHBondContact O-N 3.14Å; T151-L155 HydrophobicContact CG2-CD1 4.08Å; T151-L155 WeakPolarHBondContact O-CG 3.47Å; T151-L155 PolarHBondContact O-N 2.74Å; T151-L189 HydrophobicContact CG2-CD1 4.41Å; T151-M192 VanDerWaalsContact OG1-CE 3.27Å; T151-M192 WeakPolarHBondContact OG1-CE 3.49Å
152K96.8Very high93.1Very high154 Ų15476.4 Ų76.467%0.6737%0.373SS*.Hα-helixtrans-63-40.3175.9-172.2178.4179.4-179.90112.5A148 Y149 L150 A156A148-K152 WeakPolarHBondContact O-CB 3.4Å; A148-K152 PolarHBondContact O-N 3Å; Y149-K152 WeakPolarHBondContact O-CB 3.14Å; Y149-K152 PolarHBondContact O-N 3.13Å; L150-K152 VanDerWaalsContact C-N 3.28Å; L150-K152 PolarHBondContact O-N 3.37Å; K152-A156 VanDerWaalsContact O-CB 3.23Å; K152-A156 WeakPolarHBondContact O-CB 3.44Å; K152-A156 PolarHBondContact O-N 2.87Å
153L96.6Very high93Very high73 Ų7376 Ų7638%0.38237%0.372SS..Hα-helixtrans-64.2-44.8176.9-72.5-178.4000112.2Y149 L150 T151 L155 A156 E157Y149-L153 HydrophobicContact CD1-CD1 4.1Å; Y149-L153 HydrophobicContact CE1-CD1 3.44Å; Y149-L153 VanDerWaalsContact CE1-CD1 3.44Å; Y149-L153 HydrophobicContact CE1-CG 4.16Å; Y149-L153 HydrophobicContact CE2-CD1 4.37Å; Y149-L153 HydrophobicContact CE2-CD2 4.42Å; Y149-L153 HydrophobicContact CE2-CG 4.31Å; Y149-L153 PolarHBondContact O-N 3.49Å; L150-L153 WeakPolarHBondContact O-CB 3.48Å; L150-L153 PolarHBondContact O-N 3.4Å; L150-L153 VanDerWaalsContact O-N 3.1Å; T151-L153 PolarHBondContact O-N 3.15Å; L153-L155 VanDerWaalsContact C-N 3.35Å; L153-L155 PolarHBondContact O-N 2.98Å; L153-A156 PolarHBondContact O-N 2.9Å; L153-E157 WeakPolarHBondContact O-CB 3.33Å; L153-E157 PolarHBondContact O-N 3.38Å
154I94.8Very high93Very high32 Ų3279.1 Ų79.116%0.16439%0.386CS..Hα-helixtrans-62.9-44179.6-64.9168.3000110.4L150 T151 E157 K158 H185 L189 M192L150-I154 WeakPolarHBondContact O-CG1 3.34Å; L150-I154 PolarHBondContact O-N 3.17Å; T151-I154 PolarHBondContact O-N 3.14Å; I154-E157 PolarHBondContact O-N 3.46Å; I154-K158 WeakPolarHBondContact O-CB 3.19Å; I154-K158 PolarHBondContact O-N 3Å; I154-H185 HydrophobicContact CG2-CB 4.35Å; I154-L189 HydrophobicContact CB-CD1 4.43Å; I154-L189 HydrophobicContact CG2-CD1 3.99Å; I154-M192 HydrophobicContact CD1-CB 4.41Å; I154-M192 HydrophobicContact CD1-CG 4.39Å
155L94.2Very high92.7Very high79 Ų7977 Ų7741%0.41437%0.373SS..Hα-helixtrans-67.6-41.7178.2-67.9176.2000112.2T151 L153 K158 E159 L189T151-L155 HydrophobicContact CG2-CD1 4.08Å; T151-L155 WeakPolarHBondContact O-CG 3.47Å; T151-L155 PolarHBondContact O-N 2.74Å; L153-L155 VanDerWaalsContact C-N 3.35Å; L153-L155 PolarHBondContact O-N 2.98Å; L155-K158 WeakPolarHBondContact O-CB 3.45Å; L155-K158 PolarHBondContact O-N 3.15Å; L155-E159 WeakPolarHBondContact O-CG 3.46Å; L155-E159 PolarHBondContact O-N 3.26Å; L155-L189 HydrophobicContact CD2-CD1 3.88Å; L155-L189 HydrophobicContact CG-CD1 4.13Å
156A95.4Very high92.2Very high28 Ų2877.1 Ų77.123%0.23137%0.371CS..Hα-helixtrans-66-37.617700000112.3K152 L153 E159 R160K152-A156 VanDerWaalsContact O-CB 3.23Å; K152-A156 WeakPolarHBondContact O-CB 3.44Å; K152-A156 PolarHBondContact O-N 2.87Å; L153-A156 PolarHBondContact O-N 2.9Å; A156-E159 PolarHBondContact O-N 3.22Å; A156-R160 WeakPolarHBondContact O-CG 3.49Å; A156-R160 PolarHBondContact O-N 2.81Å
157E94.8Very high91.6Very high77 Ų7779.9 Ų79.936%0.3638%0.382SS..Hα-helixtrans-67.4-40.8173.6-17164.2-167.800111.5L153 I154 E159 R160 E161L153-E157 WeakPolarHBondContact O-CB 3.33Å; L153-E157 PolarHBondContact O-N 3.38Å; I154-E157 PolarHBondContact O-N 3.46Å; E157-E159 VanDerWaalsContact C-N 3.32Å; E157-E159 PolarHBondContact O-N 3.36Å; E157-R160 PolarHBondContact O-N 3.06Å; E157-R160 IonicContact OE2-CZ 3.22Å; E157-R160 IonicContact OE2-NE 3.18Å; E157-R160 PolarHBondContact OE2-NE 3.17Å; E157-R160 IonicContact OE2-NH2 3.24Å; E157-R160 PolarHBondContact OE2-NH2 3.43Å; E157-E161 PolarHBondContact O-N 3.01Å
158K92.9Very high90.7Very high39 Ų3984.3 Ų84.317%0.1740%0.4CS..Hα-helixtrans-57.1-45.8173.3-178.6-177.3175.2166.10111.5I154 L155 L162 S182 H185 E186I154-K158 WeakPolarHBondContact O-CB 3.19Å; I154-K158 PolarHBondContact O-N 3Å; L155-K158 WeakPolarHBondContact O-CB 3.45Å; L155-K158 PolarHBondContact O-N 3.15Å; K158-L162 HydrophobicContact CG-CD1 3.97Å; K158-L162 VanDerWaalsContact O-CB 3.31Å; K158-L162 WeakPolarHBondContact O-CB 3.41Å; K158-L162 WeakPolarHBondContact O-CD1 3.31Å; K158-L162 VanDerWaalsContact O-CG 3.24Å; K158-L162 WeakPolarHBondContact O-CG 3.4Å; K158-L162 PolarHBondContact O-N 3Å; K158-S182 VanDerWaalsContact CE-OG 3.24Å; K158-S182 WeakPolarHBondContact CE-OG 3.19Å; K158-S182 PolarHBondContact NZ-OG 3.46Å; K158-H185 HydrophobicContact CB-CB 3.93Å; K158-H185 HydrophobicContact CD-CB 3.88Å; K158-H185 HydrophobicContact CG-CB 3.94Å; K158-E186 IonicContact NZ-OE1 3.62Å; K158-E186 PolarHBondContact NZ-OE1 3.3Å
159E92.9Very high89.3Confident130 Ų13084.9 Ų84.961%0.60739%0.393SS*.Hα-helixtrans-62.9-45.3177.3-76.3177.1173.700111.7L155 A156 E157 L162 E163L155-E159 WeakPolarHBondContact O-CG 3.46Å; L155-E159 PolarHBondContact O-N 3.26Å; A156-E159 PolarHBondContact O-N 3.22Å; E157-E159 VanDerWaalsContact C-N 3.32Å; E157-E159 PolarHBondContact O-N 3.36Å; E159-L162 PolarHBondContact O-N 3.21Å; E159-E163 PolarHBondContact O-N 2.87Å
160R92.3Very high87.5Confident119 Ų11985.8 Ų85.845%0.44941%0.407SS..Hα-helixtrans-59.3-51.9175.9-76.6-170.4-69.9-93.64.4112.8A156 E157 L162 E163 E164A156-R160 WeakPolarHBondContact O-CG 3.49Å; A156-R160 PolarHBondContact O-N 2.81Å; E157-R160 PolarHBondContact O-N 3.06Å; E157-R160 IonicContact OE2-CZ 3.22Å; E157-R160 IonicContact OE2-NE 3.18Å; E157-R160 PolarHBondContact OE2-NE 3.17Å; E157-R160 IonicContact OE2-NH2 3.24Å; E157-R160 PolarHBondContact OE2-NH2 3.43Å; R160-L162 PolarHBondContact O-N 2.92Å; R160-E163 PolarHBondContact O-N 2.91Å; R160-E164 PolarHBondContact O-N 3.33Å
161E89.8Confident85.7Confident46 Ų4689.9 Ų89.922%0.21543%0.429CS..Hα-helixtrans-61.3-35.4179.1-75.4-166.3-169.600111.2E157 Y165 I181 K184 H185E157-E161 PolarHBondContact O-N 3.01Å; E161-Y165 VanDerWaalsContact O-CB 3.31Å; E161-Y165 WeakPolarHBondContact O-CB 3.42Å; E161-Y165 PolarHBondContact O-N 3.29Å; E161-I181 HydrophobicContact CB-CG2 3.84Å; E161-K184 IonicContact OE1-NZ 2.87Å; E161-K184 PolarHBondContact OE1-NZ 3.5Å; E161-K184 IonicContact OE2-NZ 3.41Å; E161-K184 PolarHBondContact OE2-NZ 2.92Å; E161-H185 IonicContact OE1-CE1 3.86Å; E161-H185 IonicContact OE2-CE1 3.24Å; E161-H185 PolarHBondContact OE2-CE1 3.4Å; E161-H185 VanDerWaalsContact OE2-CE1 3.24Å
162L87.5Confident83.8Confident40 Ų4095 Ų9521%0.20946%0.455CS..Hα-helixtrans-71.3-38176.6-78.8171000113K158 E159 R160 Y165 K166 A178 I181K158-L162 HydrophobicContact CG-CD1 3.97Å; K158-L162 VanDerWaalsContact O-CB 3.31Å; K158-L162 WeakPolarHBondContact O-CB 3.41Å; K158-L162 WeakPolarHBondContact O-CD1 3.31Å; K158-L162 VanDerWaalsContact O-CG 3.24Å; K158-L162 WeakPolarHBondContact O-CG 3.4Å; K158-L162 PolarHBondContact O-N 3Å; E159-L162 PolarHBondContact O-N 3.21Å; R160-L162 PolarHBondContact O-N 2.92Å; L162-Y165 PolarHBondContact O-N 2.76Å; L162-K166 VanDerWaalsContact O-CG 3.31Å; L162-K166 WeakPolarHBondContact O-CG 3.31Å; L162-K166 PolarHBondContact O-N 2.89Å; L162-A178 HydrophobicContact CD2-CB 4.07Å; L162-I181 HydrophobicContact CD2-CB 4.43Å; L162-I181 HydrophobicContact CD2-CG2 4.21Å; L162-I181 HydrophobicContact CG-CG2 4.13Å
163E88.3Confident81.8Confident123 Ų12397 Ų9758%0.57547%0.467SS*.Hα-helixtrans-66.1-48.7174.3-82.5180165.400111.3E159 R160 Y165 K166 E167E159-E163 PolarHBondContact O-N 2.87Å; R160-E163 PolarHBondContact O-N 2.91Å; E163-Y165 PolarHBondContact O-N 3.32Å; E163-K166 WeakPolarHBondContact O-CB 3.35Å; E163-K166 PolarHBondContact O-N 3.02Å; E163-E167 PolarHBondContact O-N 2.91Å
164E86.5Confident79.7Confident102 Ų102100 Ų10048%0.47748%0.483SS..Hα-helixtrans-57.5-36.8174.8-74.6-169.6-164.200112.3R160 K168R160-E164 PolarHBondContact O-N 3.33Å; E164-K168 WeakPolarHBondContact O-CD 3.35Å; E164-K168 VanDerWaalsContact O-CG 3.26Å; E164-K168 WeakPolarHBondContact O-CG 3.44Å; E164-K168 PolarHBondContact O-N 3.39Å; E164-K168 VanDerWaalsContact O-N 3.15Å; E164-K168 IonicContact OE2-NZ 3.83Å; E164-K168 PolarHBondContact OE2-NZ 2.93Å; E164-K168 VanDerWaalsContact OE2-NZ 3.16Å
165Y83.1Confident77.7Confident30 Ų30102 Ų10212%0.11851%0.513CS..Hα-helixtrans-67.4-41.6175.8179.2-101.4000112.1E161 L162 E163 K168 Q169 N174 D177 A178 I181E161-Y165 VanDerWaalsContact O-CB 3.31Å; E161-Y165 WeakPolarHBondContact O-CB 3.42Å; E161-Y165 PolarHBondContact O-N 3.29Å; L162-Y165 PolarHBondContact O-N 2.76Å; E163-Y165 PolarHBondContact O-N 3.32Å; Y165-K168 PolarHBondContact O-N 2.89Å; Y165-Q169 HydrophobicContact CE1-CG 3.94Å; Y165-Q169 WeakPolarHBondContact O-CB 3.36Å; Y165-Q169 PolarHBondContact O-N 2.98Å; Y165-Q169 PolarHBondContact OH-NE2 3.4Å; Y165-N174 PolarHBondContact OH-O 3.5Å; Y165-D177 HydrophobicContact CD2-CB 4.04Å; Y165-D177 HydrophobicContact CE2-CB 3.25Å; Y165-D177 PolarHBondContact OH-N 3.44Å; Y165-A178 HydrophobicContact CD1-CB 3.81Å; Y165-A178 HydrophobicContact CE1-CB 3.59Å; Y165-I181 HydrophobicContact CD2-CD1 4.28Å; Y165-I181 HydrophobicContact CG-CD1 4.13Å
166K82.3Confident76.1Confident134 Ų134100.6 Ų100.658%0.58352%0.517SS*.Hα-helixtrans-61.9-44.8176-74.8170.2-176173.30111.4L162 E163 K168 Q169 D170L162-K166 VanDerWaalsContact O-CG 3.31Å; L162-K166 WeakPolarHBondContact O-CG 3.31Å; L162-K166 PolarHBondContact O-N 2.89Å; E163-K166 WeakPolarHBondContact O-CB 3.35Å; E163-K166 PolarHBondContact O-N 3.02Å; K166-K168 VanDerWaalsContact C-N 3.29Å; K166-K168 PolarHBondContact O-N 3.36Å; K166-Q169 PolarHBondContact O-N 2.79Å; K166-Q169 VanDerWaalsContact O-N 3.13Å; K166-D170 PolarHBondContact O-N 3.03Å
167E80.8Confident74.9Confident146 Ų146102.9 Ų102.968%0.68253%0.525SS*.Hα-helixtrans-59.7-39.3176.5-70-178.6168.900111.9E163E163-E167 PolarHBondContact O-N 2.91Å
168K74.8Confident73.9Confident132 Ų132101 Ų10157%0.57452%0.522SS*.Hα-helixtrans-75-22.9176.7-69164.8-170.8155.20113.6E164 Y165 K166 D171E164-K168 WeakPolarHBondContact O-CD 3.35Å; E164-K168 VanDerWaalsContact O-CG 3.26Å; E164-K168 WeakPolarHBondContact O-CG 3.44Å; E164-K168 PolarHBondContact O-N 3.39Å; E164-K168 VanDerWaalsContact O-N 3.15Å; E164-K168 IonicContact OE2-NZ 3.83Å; E164-K168 PolarHBondContact OE2-NZ 2.93Å; E164-K168 VanDerWaalsContact OE2-NZ 3.16Å; Y165-K168 PolarHBondContact O-N 2.89Å; K166-K168 VanDerWaalsContact C-N 3.29Å; K166-K168 PolarHBondContact O-N 3.36Å; K168-D171 PolarHBondContact O-N 2.98Å
169Q65.5Low73.3Confident75 Ų75101.7 Ų101.735%0.3554%0.541SS..Hα-helixtrans-77.2-28.1-179.4-117.3-165.60.500113.3Y165 K166 D171 N172 N174Y165-Q169 HydrophobicContact CE1-CG 3.94Å; Y165-Q169 WeakPolarHBondContact O-CB 3.36Å; Y165-Q169 PolarHBondContact O-N 2.98Å; Y165-Q169 PolarHBondContact OH-NE2 3.4Å; K166-Q169 PolarHBondContact O-N 2.79Å; K166-Q169 VanDerWaalsContact O-N 3.13Å; Q169-D171 PolarHBondContact O-N 3.1Å; Q169-N172 PolarHBondContact O-N 2.93Å; Q169-N174 PolarHBondContact NE2-O 3.2Å
170D57.3Low73Confident157 Ų157102.2 Ų102.284%0.8454%0.541SS*.THydrogen-bonded Turntrans-60.9-20.7172.7-92-21.6000112.1K166K166-D170 PolarHBondContact O-N 3.03Å
171D58Low72.6Confident144 Ų14497.7 Ų97.777%0.7753%0.526SS*.THydrogen-bonded Turntrans-96.5-14.3178-80.4-30.1000115K168 Q169K168-D171 PolarHBondContact O-N 2.98Å; Q169-D171 PolarHBondContact O-N 3.1Å
172N55.7Low72.5Confident135 Ų13596.9 Ų96.972%0.72253%0.525SS*.SBendtrans-160.2125.1179.4-116.7-25.5000113.8Q169 N174Q169-N172 PolarHBondContact O-N 2.93Å; N172-N174 PolarHBondContact O-N 3.13Å
173Q53.6Low72.6Confident197 Ų19798.3 Ų98.392%0.92154%0.539SS*.  trans-67.798.5178.4-74.1179.9-7.500111.9
174N52.7Low72.9Confident134 Ų13496.3 Ų96.372%0.71753%0.528SS*.  trans-150.3113.1160.9-127.1-5.4000110.9Y165 Q169 N172 G176Y165-N174 PolarHBondContact OH-O 3.5Å; Q169-N174 PolarHBondContact NE2-O 3.2Å; N172-N174 PolarHBondContact O-N 3.13Å; N174-G176 PolarHBondContact O-N 3.23Å
175G52.9Low73.1Confident76 Ų7691.8 Ų91.878%0.78451%0.507SS*.  trans-91.619.6-166.300000117.2
176G60.2Low73.6Confident49 Ų4995 Ų9551%0.50552%0.523SS..SBendtrans-108.8-10.5-167.200000117.9N174N174-G176 PolarHBondContact O-N 3.23Å
177D70.9Confident74.2Confident76 Ų7694.6 Ų94.641%0.40652%0.521SS..SBendtrans-96.7-30.4-166.2-111.95.1000114.3Y165 G179 K180 I181Y165-D177 HydrophobicContact CD2-CB 4.04Å; Y165-D177 HydrophobicContact CE2-CB 3.25Å; Y165-D177 PolarHBondContact OH-N 3.44Å; D177-G179 VanDerWaalsContact C-N 3.28Å; D177-G179 PolarHBondContact O-N 3.34Å; D177-K180 WeakPolarHBondContact O-CB 3.25Å; D177-K180 PolarHBondContact O-N 3.05Å; D177-K180 IonicContact OD1-NZ 3.41Å; D177-K180 PolarHBondContact OD1-NZ 2.94Å; D177-I181 WeakPolarHBondContact O-CG1 3.34Å; D177-I181 PolarHBondContact O-N 3.46Å
178A75.1Confident74.8Confident36 Ų3693 Ų9330%0.29851%0.51SS..Hα-helixtrans-58.3-38.5176.900000113L162 Y165 K180 I181 S182L162-A178 HydrophobicContact CD2-CB 4.07Å; Y165-A178 HydrophobicContact CD1-CB 3.81Å; Y165-A178 HydrophobicContact CE1-CB 3.59Å; A178-K180 VanDerWaalsContact C-N 3.32Å; A178-K180 PolarHBondContact O-N 3.42Å; A178-I181 PolarHBondContact O-N 3.48Å; A178-S182 PolarHBondContact O-N 3.21Å
179G80.3Confident75.7Confident55 Ų5588.8 Ų88.857%0.56749%0.493SS*.Hα-helixtrans-64.9-35.3176.400000112.8D177 S183D177-G179 VanDerWaalsContact C-N 3.28Å; D177-G179 PolarHBondContact O-N 3.34Å; G179-S183 VanDerWaalsContact O-CB 3.31Å; G179-S183 WeakPolarHBondContact O-CB 2.97Å; G179-S183 PolarHBondContact O-N 3.11Å
180K85.1Confident77.1Confident140 Ų14091.9 Ų91.961%0.60951%0.509SS*.Hα-helixtrans-70.6-40.5175.4-64.6-179.9-167.8159.20111.7D177 A178 S183 K184D177-K180 WeakPolarHBondContact O-CB 3.25Å; D177-K180 PolarHBondContact O-N 3.05Å; D177-K180 IonicContact OD1-NZ 3.41Å; D177-K180 PolarHBondContact OD1-NZ 2.94Å; A178-K180 VanDerWaalsContact C-N 3.32Å; A178-K180 PolarHBondContact O-N 3.42Å; K180-S183 PolarHBondContact O-N 2.88Å; K180-K184 WeakPolarHBondContact O-CB 3.49Å; K180-K184 PolarHBondContact O-N 3.32Å
181I84.8Confident78.8Confident25 Ų2588.7 Ų88.713%0.12849%0.489CS..Hα-helixtrans-60.9-46.2175-65168.4000110E161 L162 Y165 D177 A178 K184 H185E161-I181 HydrophobicContact CB-CG2 3.84Å; L162-I181 HydrophobicContact CD2-CB 4.43Å; L162-I181 HydrophobicContact CD2-CG2 4.21Å; L162-I181 HydrophobicContact CG-CG2 4.13Å; Y165-I181 HydrophobicContact CD2-CD1 4.28Å; Y165-I181 HydrophobicContact CG-CD1 4.13Å; D177-I181 WeakPolarHBondContact O-CG1 3.34Å; D177-I181 PolarHBondContact O-N 3.46Å; A178-I181 PolarHBondContact O-N 3.48Å; I181-K184 PolarHBondContact O-N 3.47Å; I181-H185 PolarHBondContact O-N 3.38Å; I181-H185 PolarHBondContact O-ND1 2.95Å
182S86.8Confident80.5Confident28 Ų2882.6 Ų82.620%0.19646%0.457CS..Hα-helixtrans-61.9-46.5177-162.40000112K158 A178 K184 H185 E186K158-S182 VanDerWaalsContact CE-OG 3.24Å; K158-S182 WeakPolarHBondContact CE-OG 3.19Å; K158-S182 PolarHBondContact NZ-OG 3.46Å; A178-S182 PolarHBondContact O-N 3.21Å; S182-K184 PolarHBondContact O-N 3.32Å; S182-H185 PolarHBondContact O-N 2.92Å; S182-E186 WeakPolarHBondContact O-CB 3.49Å; S182-E186 WeakPolarHBondContact O-CG 3.3Å; S182-E186 PolarHBondContact O-N 3.5Å; S182-E186 PolarHBondContact OG-OE1 3.23Å
183S90.9Very high82.1Confident71 Ų7180.4 Ų80.450%0.49744%0.442SS..Hα-helixtrans-64.7-37.8-179.3-176.80000112.9G179 K180 K187G179-S183 VanDerWaalsContact O-CB 3.31Å; G179-S183 WeakPolarHBondContact O-CB 2.97Å; G179-S183 PolarHBondContact O-N 3.11Å; K180-S183 PolarHBondContact O-N 2.88Å; S183-K187 WeakPolarHBondContact O-CB 3.31Å; S183-K187 PolarHBondContact O-N 3.38Å
184K93.1Very high83.9Confident81 Ų8175.9 Ų75.935%0.35242%0.421SS..Hα-helixtrans-58-50.6173.7172.6-170.1162.4-159.10111.3E161 K180 I181 S182 K187 Y188E161-K184 IonicContact OE1-NZ 2.87Å; E161-K184 PolarHBondContact OE1-NZ 3.5Å; E161-K184 IonicContact OE2-NZ 3.41Å; E161-K184 PolarHBondContact OE2-NZ 2.92Å; K180-K184 WeakPolarHBondContact O-CB 3.49Å; K180-K184 PolarHBondContact O-N 3.32Å; I181-K184 PolarHBondContact O-N 3.47Å; S182-K184 PolarHBondContact O-N 3.32Å; K184-K187 WeakPolarHBondContact O-CB 3.3Å; K184-K187 PolarHBondContact O-N 3.23Å; K184-Y188 HydrophobicContact CD-CE2 4.28Å; K184-Y188 HydrophobicContact CG-CD2 4.31Å; K184-Y188 HydrophobicContact CG-CE2 3.75Å; K184-Y188 PolarHBondContact O-N 3.16Å
185H91.8Very high85.6Confident7 Ų774.7 Ų74.73%0.03241%0.414CS..Hα-helixtrans-72-35.9-178.5-68.988000112.7I154 K158 E161 I181 S182 K187 Y188 L189I154-H185 HydrophobicContact CG2-CB 4.35Å; K158-H185 HydrophobicContact CB-CB 3.93Å; K158-H185 HydrophobicContact CD-CB 3.88Å; K158-H185 HydrophobicContact CG-CB 3.94Å; E161-H185 IonicContact OE1-CE1 3.86Å; E161-H185 IonicContact OE2-CE1 3.24Å; E161-H185 PolarHBondContact OE2-CE1 3.4Å; E161-H185 VanDerWaalsContact OE2-CE1 3.24Å; I181-H185 PolarHBondContact O-N 3.38Å; I181-H185 PolarHBondContact O-ND1 2.95Å; S182-H185 PolarHBondContact O-N 2.92Å; H185-K187 VanDerWaalsContact C-N 3.27Å; H185-K187 PolarHBondContact O-N 3.45Å; H185-Y188 PolarHBondContact O-N 3.13Å; H185-L189 WeakPolarHBondContact O-CB 3.4Å; H185-L189 PolarHBondContact O-N 2.89Å
186E92.8Very high87.3Confident97 Ų9773.1 Ų73.145%0.45339%0.386SS..Hα-helixtrans-59.7-40.7170.9-79.7160.7-147.900111.1K158 S182 L189 M190K158-E186 IonicContact NZ-OE1 3.62Å; K158-E186 PolarHBondContact NZ-OE1 3.3Å; S182-E186 WeakPolarHBondContact O-CB 3.49Å; S182-E186 WeakPolarHBondContact O-CG 3.3Å; S182-E186 PolarHBondContact O-N 3.5Å; S182-E186 PolarHBondContact OG-OE1 3.23Å; E186-L189 PolarHBondContact O-N 2.92Å; E186-M190 VanDerWaalsContact O-CG 3.32Å; E186-M190 WeakPolarHBondContact O-CG 3.44Å; E186-M190 PolarHBondContact O-N 3.45Å
187K95Very high88.4Confident126 Ų12673.9 Ų73.955%0.54838%0.383SS..Hα-helixtrans-63-45174.4-168.5-176.3-177.4-154.30112.2S183 K184 H185 L189 M190 E191S183-K187 WeakPolarHBondContact O-CB 3.31Å; S183-K187 PolarHBondContact O-N 3.38Å; K184-K187 WeakPolarHBondContact O-CB 3.3Å; K184-K187 PolarHBondContact O-N 3.23Å; H185-K187 VanDerWaalsContact C-N 3.27Å; H185-K187 PolarHBondContact O-N 3.45Å; K187-L189 VanDerWaalsContact C-N 3.3Å; K187-L189 PolarHBondContact O-N 3.23Å; K187-M190 PolarHBondContact O-N 3.33Å; K187-E191 WeakPolarHBondContact CE-OE1 3.28Å; K187-E191 IonicContact NZ-OE1 3.48Å; K187-E191 PolarHBondContact NZ-OE1 3.09Å; K187-E191 WeakPolarHBondContact O-CG 3.23Å; K187-E191 PolarHBondContact O-N 3.06Å
188Y93.8Very high88.9Confident112 Ų11275.3 Ų75.344%0.43939%0.387SS..Hα-helixtrans-62-38.6175.5-68.1-33.3000112.7K184 H185 E191 M192K184-Y188 HydrophobicContact CD-CE2 4.28Å; K184-Y188 HydrophobicContact CG-CD2 4.31Å; K184-Y188 HydrophobicContact CG-CE2 3.75Å; K184-Y188 PolarHBondContact O-N 3.16Å; H185-Y188 PolarHBondContact O-N 3.13Å; Y188-E191 PolarHBondContact O-N 3.42Å; Y188-M192 WeakPolarHBondContact O-CB 3.3Å; Y188-M192 PolarHBondContact O-N 3.14Å
189L94Very high88.8Confident43 Ų4376.1 Ų76.123%0.22539%0.388CS..Hα-helixtrans-66.5-41.6177.3-145.9131.6000110.6T151 I154 L155 H185 E186 K187 M192 E193T151-L189 HydrophobicContact CG2-CD1 4.41Å; I154-L189 HydrophobicContact CB-CD1 4.43Å; I154-L189 HydrophobicContact CG2-CD1 3.99Å; L155-L189 HydrophobicContact CD2-CD1 3.88Å; L155-L189 HydrophobicContact CG-CD1 4.13Å; H185-L189 WeakPolarHBondContact O-CB 3.4Å; H185-L189 PolarHBondContact O-N 2.89Å; E186-L189 PolarHBondContact O-N 2.92Å; K187-L189 VanDerWaalsContact C-N 3.3Å; K187-L189 PolarHBondContact O-N 3.23Å; L189-M192 HydrophobicContact CG-CE 4.28Å; L189-M192 PolarHBondContact O-N 3.12Å; L189-E193 HydrophobicContact CD2-CG 4.35Å; L189-E193 WeakPolarHBondContact O-CB 3.25Å; L189-E193 VanDerWaalsContact O-CG 3.26Å; L189-E193 WeakPolarHBondContact O-CG 3.43Å; L189-E193 PolarHBondContact O-N 2.94Å
190M93.9Very high88.2Confident140 Ų14077.5 Ų77.569%0.6938%0.383SS*.Hα-helixtrans-63.5-45.2173.5-72.6178.968.200113E186 K187 M192 E193 E194E186-M190 VanDerWaalsContact O-CG 3.32Å; E186-M190 WeakPolarHBondContact O-CG 3.44Å; E186-M190 PolarHBondContact O-N 3.45Å; K187-M190 PolarHBondContact O-N 3.33Å; M190-M192 VanDerWaalsContact C-N 3.26Å; M190-M192 PolarHBondContact O-N 3.25Å; M190-E193 PolarHBondContact O-N 2.99Å; M190-E194 VanDerWaalsContact O-CB 3.3Å; M190-E194 WeakPolarHBondContact O-CB 3.37Å; M190-E194 PolarHBondContact O-N 3.14Å
191E93.8Very high87.2Confident90 Ų9078 Ų7842%0.42139%0.387SS..Hα-helixtrans-62.3-36.7177.1-73.8173.4-175.700111.3K187 Y188 L195K187-E191 WeakPolarHBondContact CE-OE1 3.28Å; K187-E191 IonicContact NZ-OE1 3.48Å; K187-E191 PolarHBondContact NZ-OE1 3.09Å; K187-E191 WeakPolarHBondContact O-CG 3.23Å; K187-E191 PolarHBondContact O-N 3.06Å; Y188-E191 PolarHBondContact O-N 3.42Å; E191-L195 WeakPolarHBondContact O-CG 3.43Å; E191-L195 PolarHBondContact O-N 2.83Å; E191-L195 VanDerWaalsContact O-N 3.12Å
192M92.9Very high86.2Confident16 Ų1684.1 Ų84.18%0.07941%0.413CS..Hα-helixtrans-71.5-46.7177.1-175.5-81.6-39.500111.6H147 T151 I154 Y188 L189 M190 E194 L195 F196H147-M192 PolarHBondContact CD2-SD 3.3Å; T151-M192 VanDerWaalsContact OG1-CE 3.27Å; T151-M192 WeakPolarHBondContact OG1-CE 3.49Å; I154-M192 HydrophobicContact CD1-CB 4.41Å; I154-M192 HydrophobicContact CD1-CG 4.39Å; Y188-M192 WeakPolarHBondContact O-CB 3.3Å; Y188-M192 PolarHBondContact O-N 3.14Å; L189-M192 HydrophobicContact CG-CE 4.28Å; L189-M192 PolarHBondContact O-N 3.12Å; M190-M192 VanDerWaalsContact C-N 3.26Å; M190-M192 PolarHBondContact O-N 3.25Å; M192-E194 VanDerWaalsContact C-N 3.29Å; M192-E194 PolarHBondContact O-N 2.89Å; M192-L195 WeakPolarHBondContact O-CB 3.34Å; M192-L195 PolarHBondContact O-N 3.47Å; M192-L195 VanDerWaalsContact O-N 3.15Å; M192-F196 HydrophobicContact CG-CD2 4.36Å; M192-F196 HydrophobicContact CG-CE2 4.26Å; M192-F196 WeakPolarHBondContact O-CD2 3.42Å; M192-F196 PolarHBondContact O-N 3.37Å; M192-F196 VanDerWaalsContact O-N 3.1Å; M192-F196 HydrophobicContact SD-CD2 3.76Å; M192-F196 HydrophobicContact SD-CE2 3.82Å
193E90.8Very high85Confident89 Ų8985.8 Ų85.842%0.41642%0.415SS..Hα-helixtrans-58-41.4173.4-73.9-78.4170.900111.5H147 L189 M190 L195 F196 S197H147-E193 IonicContact CE1-OE1 3.08Å; H147-E193 PolarHBondContact CE1-OE1 2.86Å; H147-E193 IonicContact NE2-OE1 2.71Å; H147-E193 PolarHBondContact NE2-OE1 3.27Å; H147-E193 IonicContact NE2-OE2 3.41Å; L189-E193 HydrophobicContact CD2-CG 4.35Å; L189-E193 WeakPolarHBondContact O-CB 3.25Å; L189-E193 VanDerWaalsContact O-CG 3.26Å; L189-E193 WeakPolarHBondContact O-CG 3.43Å; L189-E193 PolarHBondContact O-N 2.94Å; M190-E193 PolarHBondContact O-N 2.99Å; E193-L195 PolarHBondContact O-N 3.19Å; E193-F196 PolarHBondContact O-N 3.34Å; E193-S197 VanDerWaalsContact O-CB 3.3Å; E193-S197 WeakPolarHBondContact O-CB 3.32Å; E193-S197 PolarHBondContact O-N 3.37Å
194E90.7Very high83.7Confident103 Ų10390 Ų9048%0.48142%0.424SS..Hα-helixtrans-61-43175.7178.561.9-149.900111.9M190 M192 F196 S197 Q198M190-E194 VanDerWaalsContact O-CB 3.3Å; M190-E194 WeakPolarHBondContact O-CB 3.37Å; M190-E194 PolarHBondContact O-N 3.14Å; M192-E194 VanDerWaalsContact C-N 3.29Å; M192-E194 PolarHBondContact O-N 2.89Å; E194-F196 PolarHBondContact O-N 2.8Å; E194-S197 PolarHBondContact O-N 3.2Å; E194-Q198 VanDerWaalsContact O-CG 3.3Å; E194-Q198 WeakPolarHBondContact O-CG 3.32Å; E194-Q198 PolarHBondContact O-N 3.44Å; E194-Q198 PolarHBondContact OE1-NE2 3.38Å
195L89Confident82.3Confident109 Ų10994.7 Ų94.757%0.57145%0.445SS*.Hα-helixtrans-60.5-44.2175.8-76.8168.1000112E191 M192 E193 V199E191-L195 WeakPolarHBondContact O-CG 3.43Å; E191-L195 PolarHBondContact O-N 2.83Å; E191-L195 VanDerWaalsContact O-N 3.12Å; M192-L195 WeakPolarHBondContact O-CB 3.34Å; M192-L195 PolarHBondContact O-N 3.47Å; M192-L195 VanDerWaalsContact O-N 3.15Å; E193-L195 PolarHBondContact O-N 3.19Å; L195-V199 WeakPolarHBondContact O-CG2 3.47Å; L195-V199 PolarHBondContact O-N 3.29Å
196F87.3Confident81.3Confident43 Ų4397.3 Ų97.319%0.18945%0.454CS..Hα-helixtrans-73.1-32.5178.5-80.6-92.7000112.3E143 L146 H147 L150 M192 E193 E194 V199 D200E143-F196 WeakPolarHBondContact O-CE1 3.35Å; L146-F196 HydrophobicContact CD2-CZ 4.43Å; L146-F196 HydrophobicContact CG-CZ 4.36Å; H147-F196 HydrophobicContact CB-CD1 4.03Å; H147-F196 HydrophobicContact CB-CE1 3.75Å; H147-F196 HydrophobicContact CB-CE2 4.4Å; H147-F196 HydrophobicContact CB-CG 4.47Å; H147-F196 HydrophobicContact CB-CZ 3.95Å; H147-F196 AromaticContact CD2-CD2 3.52Å; H147-F196 AromaticContact CD2-CE2 3.87Å; H147-F196 AromaticContact CD2-CG 3.59Å; L150-F196 HydrophobicContact CD1-CE2 4.23Å; L150-F196 HydrophobicContact CD1-CZ 4.35Å; M192-F196 HydrophobicContact CG-CD2 4.36Å; M192-F196 HydrophobicContact CG-CE2 4.26Å; M192-F196 WeakPolarHBondContact O-CD2 3.42Å; M192-F196 PolarHBondContact O-N 3.37Å; M192-F196 VanDerWaalsContact O-N 3.1Å; M192-F196 HydrophobicContact SD-CD2 3.76Å; M192-F196 HydrophobicContact SD-CE2 3.82Å; E193-F196 PolarHBondContact O-N 3.34Å; E194-F196 PolarHBondContact O-N 2.8Å; F196-V199 WeakPolarHBondContact O-CB 3.45Å; F196-V199 PolarHBondContact O-N 2.88Å; F196-D200 PolarHBondContact O-N 3.47Å
197S83.8Confident80.3Confident64 Ų6496.1 Ų96.145%0.44845%0.449SS..Hα-helixtrans-64.1-40.6174.2-175.40000112.2E193 E194 V199 D200 E201E193-S197 VanDerWaalsContact O-CB 3.3Å; E193-S197 WeakPolarHBondContact O-CB 3.32Å; E193-S197 PolarHBondContact O-N 3.37Å; E194-S197 PolarHBondContact O-N 3.2Å; S197-V199 PolarHBondContact O-N 3.38Å; S197-D200 PolarHBondContact O-N 3.12Å; S197-E201 PolarHBondContact O-N 2.97Å; S197-E201 VanDerWaalsContact O-N 3.14Å
198Q80.3Confident79.7Confident106 Ų10691.1 Ų91.150%0.49543%0.428SS..Hα-helixtrans-62.3-29.2173.8-70.9172.116.900113E194E194-Q198 VanDerWaalsContact O-CG 3.3Å; E194-Q198 WeakPolarHBondContact O-CG 3.32Å; E194-Q198 PolarHBondContact O-N 3.44Å; E194-Q198 PolarHBondContact OE1-NE2 3.38Å
199V73.7Confident79.4Confident53 Ų5387.4 Ų87.432%0.32142%0.417SS..Hα-helixtrans-77.3-34.2173.8178.10000111.1L195 F196 S197 K202 R203L195-V199 WeakPolarHBondContact O-CG2 3.47Å; L195-V199 PolarHBondContact O-N 3.29Å; F196-V199 WeakPolarHBondContact O-CB 3.45Å; F196-V199 PolarHBondContact O-N 2.88Å; S197-V199 PolarHBondContact O-N 3.38Å; V199-K202 WeakPolarHBondContact O-CB 3.17Å; V199-K202 PolarHBondContact O-N 2.92Å; V199-K202 VanDerWaalsContact O-N 3.15Å; V199-R203 PolarHBondContact O-N 3.03Å
200D68.5Low78.9Confident84 Ų8489 Ų8945%0.44943%0.426SS..Hα-helixtrans-69.2-35.1-179.6-146.826.1000112.6F196 S197 K202 R203F196-D200 PolarHBondContact O-N 3.47Å; S197-D200 PolarHBondContact O-N 3.12Å; D200-K202 PolarHBondContact O-N 3.29Å; D200-R203 WeakPolarHBondContact O-CA 3.31Å; D200-R203 WeakPolarHBondContact O-CB 3.31Å; D200-R203 PolarHBondContact O-N 3.34Å; D200-R203 WeakPolarHBondContact OD1-CD 3.35Å; D200-R203 IonicContact OD1-CZ 3.43Å; D200-R203 IonicContact OD1-NE 3.42Å; D200-R203 PolarHBondContact OD1-NE 3.04Å; D200-R203 VanDerWaalsContact OD1-NE 3.11Å; D200-R203 IonicContact OD1-NH1 2.81Å; D200-R203 PolarHBondContact OD1-NH1 3.37Å
201E63.2Low78.7Confident150 Ų15089.5 Ų89.570%0.70142%0.422SS*.G310 helixtrans-61.1-28.9170.7-79.8-67.9159.100112.6S197 R203S197-E201 PolarHBondContact O-N 2.97Å; S197-E201 VanDerWaalsContact O-N 3.14Å; E201-R203 VanDerWaalsContact C-N 3.27Å; E201-R203 PolarHBondContact O-N 3.12Å
202K63.1Low78.6Confident154 Ų15485.3 Ų85.367%0.6740%0.402SS*.G310 helixtrans-81.2-2172.1-70.6-178.4176.9176.60113.8V199 D200 K204V199-K202 WeakPolarHBondContact O-CB 3.17Å; V199-K202 PolarHBondContact O-N 2.92Å; V199-K202 VanDerWaalsContact O-N 3.15Å; D200-K202 PolarHBondContact O-N 3.29Å; K202-K204 VanDerWaalsContact C-N 3.3Å; K202-K204 PolarHBondContact O-N 3.46Å
203R61.8Low78.4Confident63 Ų6385 Ų8524%0.23840%0.401CS..G310 helixtrans-85.77.8-179.4-155.2-179.4-82.8174.8-15.1113.1I140 E143 N144 V199 D200 E201 K205I140-R203 HydrophobicContact CD1-CG 3.92Å; I140-R203 HydrophobicContact CG1-CG 4.36Å; E143-R203 IonicContact OE2-NH2 2.94Å; E143-R203 PolarHBondContact OE2-NH2 2.8Å; N144-R203 PolarHBondContact OD1-NH2 3.35Å; V199-R203 PolarHBondContact O-N 3.03Å; D200-R203 WeakPolarHBondContact O-CA 3.31Å; D200-R203 WeakPolarHBondContact O-CB 3.31Å; D200-R203 PolarHBondContact O-N 3.34Å; D200-R203 WeakPolarHBondContact OD1-CD 3.35Å; D200-R203 IonicContact OD1-CZ 3.43Å; D200-R203 IonicContact OD1-NE 3.42Å; D200-R203 PolarHBondContact OD1-NE 3.04Å; D200-R203 VanDerWaalsContact OD1-NE 3.11Å; D200-R203 IonicContact OD1-NH1 2.81Å; D200-R203 PolarHBondContact OD1-NH1 3.37Å; E201-R203 VanDerWaalsContact C-N 3.27Å; E201-R203 PolarHBondContact O-N 3.12Å; R203-K205 PolarHBondContact O-N 2.94Å
204K64.9Low78.4Confident160 Ų16080.8 Ų80.870%0.69638%0.382SS*.SBendtrans-50.6130.7167.8-94.4-176.3178.5175.50109.5K202 R206K202-K204 VanDerWaalsContact C-N 3.3Å; K202-K204 PolarHBondContact O-N 3.46Å; K204-R206 WeakPolarHBondContact O-CG 3.48Å; K204-R206 PolarHBondContact O-N 2.98Å
205K62.8Low78.2Confident179 Ų17978.2 Ų78.278%0.77837%0.369SS*.  trans-48.3112.6-178.7-80-173176.7-175.50110.4R203 E207R203-K205 PolarHBondContact O-N 2.94Å; K205-E207 VanDerWaalsContact C-N 3.29Å; K205-E207 HydrophobicContact CB-CG 4.4Å; K205-E207 PolarHBondContact O-N 3.02Å
206R71.8Confident78.1Confident63 Ų6374 Ų7424%0.23835%0.347CS..  trans-81.577.2178.4-62.7-174.3-173.9-171.55.4109.3K204 W280K204-R206 WeakPolarHBondContact O-CG 3.48Å; K204-R206 PolarHBondContact O-N 2.98Å; R206-W280 HydrophobicContact CB-CD2 3.66Å; R206-W280 HydrophobicContact CB-CE3 3.72Å; R206-W280 HydrophobicContact CB-CG 4.42Å; R206-W280 HydrophobicContact CB-CH2 3.74Å; R206-W280 HydrophobicContact CB-CZ2 3.66Å; R206-W280 HydrophobicContact CB-CZ3 3.75Å; R206-W280 HydrophobicContact CG-CD2 3.63Å; R206-W280 HydrophobicContact CG-CE3 4.16Å; R206-W280 HydrophobicContact CG-CG 3.87Å; R206-W280 HydrophobicContact CG-CZ2 4.16Å
207E70.8Confident77.8Confident71 Ų7173.1 Ų73.133%0.33235%0.346SS..  trans-113.9122.6178.2-66.3-165.6173.300110K129 K205 P209K129-E207 WeakPolarHBondContact CE-OE1 3.46Å; K129-E207 WeakPolarHBondContact CE-OE2 3.31Å; K129-E207 IonicContact NZ-OE1 3.79Å; K129-E207 PolarHBondContact NZ-OE1 3.35Å; K129-E207 IonicContact NZ-OE2 3.29Å; K129-E207 PolarHBondContact NZ-OE2 3.27Å; K205-E207 VanDerWaalsContact C-N 3.29Å; K205-E207 HydrophobicContact CB-CG 4.4Å; K205-E207 PolarHBondContact O-N 3.02Å; E207-P209 VanDerWaalsContact O-CD 3.31Å; E207-P209 WeakPolarHBondContact O-CD 3.31Å
208I81.8Confident77.7Confident21 Ų2171 Ų7111%0.10833%0.328CS..  trans-79.6118.7167.4-54.2179.6000106.9D210 L212 L220 F274 W280 V281 Y284I208-D210 PolarHBondContact O-N 3.1Å; I208-L212 HydrophobicContact CG2-CB 4.32Å; I208-L220 HydrophobicContact CD1-CB 4.39Å; I208-L220 HydrophobicContact CG2-CB 4.47Å; I208-L220 HydrophobicContact CG2-CD1 3.76Å; I208-F274 HydrophobicContact CB-CE1 4.45Å; I208-F274 HydrophobicContact CB-CZ 4.49Å; I208-F274 HydrophobicContact CG1-CE1 4.18Å; I208-F274 HydrophobicContact CG1-CZ 4.38Å; I208-F274 HydrophobicContact CG2-CE1 4.16Å; I208-W280 HydrophobicContact CD1-CZ3 4.45Å; I208-W280 HydrophobicContact CG1-CH2 3.8Å; I208-W280 HydrophobicContact CG1-CZ3 3.89Å; I208-V281 HydrophobicContact CD1-CG1 3.84Å; I208-V281 HydrophobicContact CG1-CG1 4.38Å; I208-V281 HydrophobicContact CG1-CG2 4.43Å; I208-Y284 HydrophobicContact CD1-CD1 3.67Å; I208-Y284 HydrophobicContact CD1-CE1 4.1Å; I208-Y284 HydrophobicContact CD1-CG 3.91Å
209P87.6Confident77.9Confident34 Ų3470.9 Ų70.922%0.22133%0.328CS..  trans-61.6134.7177.2-2130.9000112E207 Y211 L212 F274E207-P209 VanDerWaalsContact O-CD 3.31Å; E207-P209 WeakPolarHBondContact O-CD 3.31Å; P209-Y211 HydrophobicContact CB-CD1 3.69Å; P209-Y211 HydrophobicContact CB-CD2 4.44Å; P209-Y211 HydrophobicContact CB-CE1 3.2Å; P209-Y211 HydrophobicContact CB-CE2 4.02Å; P209-Y211 HydrophobicContact CB-CG 4.28Å; P209-Y211 HydrophobicContact CG-CE1 4.11Å; P209-Y211 PolarHBondContact O-N 3.05Å; P209-L212 HydrophobicContact CB-CG 4.29Å; P209-L212 HydrophobicContact CG-CD1 4.12Å; P209-L212 HydrophobicContact CG-CG 4.42Å; P209-L212 WeakPolarHBondContact O-CB 3.17Å; P209-L212 PolarHBondContact O-N 3.44Å; P209-F274 HydrophobicContact CG-CE2 4.17Å
210D84.1Confident78.6Confident78 Ų7869 Ų6942%0.41732%0.316SS..THydrogen-bonded Turntrans-55.8-24.5-176.3-700.7000114.7I208 L212 C213 K215I208-D210 PolarHBondContact O-N 3.1Å; D210-L212 VanDerWaalsContact C-N 3.31Å; D210-C213 PolarHBondContact O-N 3.39Å; D210-K215 PolarHBondContact O-NZ 3.05Å
211Y89.4Confident79.8Confident150 Ų15065.1 Ų65.159%0.58830%0.295SS*.THydrogen-bonded Turntrans-77.7-14.7177.460.6-100.4000113.3P209 M267P209-Y211 HydrophobicContact CB-CD1 3.69Å; P209-Y211 HydrophobicContact CB-CD2 4.44Å; P209-Y211 HydrophobicContact CB-CE1 3.2Å; P209-Y211 HydrophobicContact CB-CE2 4.02Å; P209-Y211 HydrophobicContact CB-CG 4.28Å; P209-Y211 HydrophobicContact CG-CE1 4.11Å; P209-Y211 PolarHBondContact O-N 3.05Å; Y211-M267 WeakPolarHBondContact O-CE 3.41Å
212L92.1Very high81Confident1 Ų163.9 Ų63.91%0.00528%0.284CS..SBendtrans-88.9-10171-55.5-173.5000112.6I208 P209 D210 L220 M221 M267 V270 I271 F274I208-L212 HydrophobicContact CG2-CB 4.32Å; P209-L212 HydrophobicContact CB-CG 4.29Å; P209-L212 HydrophobicContact CG-CD1 4.12Å; P209-L212 HydrophobicContact CG-CG 4.42Å; P209-L212 WeakPolarHBondContact O-CB 3.17Å; P209-L212 PolarHBondContact O-N 3.44Å; D210-L212 VanDerWaalsContact C-N 3.31Å; L212-L220 HydrophobicContact CB-CD1 3.6Å; L212-L220 HydrophobicContact CD1-CD1 4.27Å; L212-M221 VanDerWaalsContact C-CE 3.47Å; L212-M221 VanDerWaalsContact O-CE 3.23Å; L212-M221 WeakPolarHBondContact O-CE 3.38Å; L212-M221 WeakPolarHBondContact O-CG 3.45Å; L212-M221 PolarHBondContact O-N 3.23Å; L212-M267 HydrophobicContact CD2-CE 3.78Å; L212-V270 HydrophobicContact CD2-CG1 3.73Å; L212-I271 HydrophobicContact CB-CG1 4.4Å; L212-I271 HydrophobicContact CD2-CG1 3.89Å; L212-F274 HydrophobicContact CD1-CB 3.86Å; L212-F274 HydrophobicContact CD1-CD1 3.72Å; L212-F274 HydrophobicContact CD1-CD2 3.82Å; L212-F274 HydrophobicContact CD1-CE1 4.22Å; L212-F274 HydrophobicContact CD1-CE2 4.33Å; L212-F274 HydrophobicContact CD1-CG 3.51Å
213C89.8Confident82.5Confident10 Ų1061.6 Ų61.67%0.06828%0.276CS..BIsolated β-bridgetrans-92140.3-178.7-61.10000112.7D210 E219D210-C213 PolarHBondContact O-N 3.39Å; C213-E219 CarbonylContact C-O 3.58Å; C213-E219 WeakPolarHBondContact CA-O 3.27Å
214G89.6Confident84.1Confident0 Ų059 Ų590%027%0.267CS..  trans-65.6143.9175.800000111.7I216 F218 E219 M221G214-I216 PolarHBondContact O-N 3.26Å; G214-F218 VanDerWaalsContact O-CA 3.31Å; G214-F218 WeakPolarHBondContact O-CA 3.47Å; G214-F218 PolarHBondContact O-N 3.09Å; G214-F218 VanDerWaalsContact O-N 3.1Å; G214-E219 PolarHBondContact N-O 2.85Å; G214-M221 VanDerWaalsContact N-CG 3.28Å
215K87.6Confident85.6Confident49 Ų4951.3 Ų51.321%0.21323%0.234CC..THydrogen-bonded Turntrans-78.81.2179-49.8-54.9178-163.60114.1D210 F218 I231 Y233 V251D210-K215 PolarHBondContact O-NZ 3.05Å; K215-F218 VanDerWaalsContact O-CE1 3.25Å; K215-F218 WeakPolarHBondContact O-CE1 3.32Å; K215-I231 HydrophobicContact CG-CG2 4.01Å; K215-Y233 HydrophobicContact CB-CD1 3.86Å; K215-Y233 HydrophobicContact CB-CE1 3.63Å; K215-Y233 HydrophobicContact CG-CD1 4.39Å; K215-Y233 HydrophobicContact CG-CE1 4.18Å; K215-V251 HydrophobicContact CB-CG2 4.35Å
216I85.3Confident87.3Confident22 Ų2245.1 Ų45.111%0.11321%0.208CC..THydrogen-bonded Turntrans-117.4-57.3177.7-61.4166.5000110.5G214 F218 Y233 D237 I238 H241 P250G214-I216 PolarHBondContact O-N 3.26Å; I216-F218 VanDerWaalsContact C-N 3.32Å; I216-F218 WeakPolarHBondContact O-CD2 3.34Å; I216-F218 WeakPolarHBondContact O-CE1 3.43Å; I216-F218 WeakPolarHBondContact O-CE2 3.46Å; I216-F218 WeakPolarHBondContact O-CZ 3.38Å; I216-F218 PolarHBondContact O-N 3.28Å; I216-Y233 HydrophobicContact CD1-CD1 3.88Å; I216-Y233 HydrophobicContact CD1-CE1 4.37Å; I216-Y233 HydrophobicContact CG1-CD1 3.96Å; I216-Y233 HydrophobicContact CG1-CE1 4.27Å; I216-D237 HydrophobicContact CB-CB 3.69Å; I216-D237 HydrophobicContact CD1-CB 3.83Å; I216-D237 HydrophobicContact CG1-CB 4.36Å; I216-D237 HydrophobicContact CG2-CB 3.74Å; I216-I238 HydrophobicContact CD1-CB 4.31Å; I216-I238 HydrophobicContact CD1-CD1 4.17Å; I216-H241 HydrophobicContact CD1-CB 4.16Å; I216-P250 HydrophobicContact CD1-CG 3.98Å; I216-P250 HydrophobicContact CG1-CG 4.36Å
217S82Confident88.5Confident24 Ų2442.3 Ų42.317%0.16820%0.199CC..THydrogen-bonded Turntrans-68.6-27.8176.541.20000114E219 D237S217-E219 PolarHBondContact O-N 3.03Å; S217-D237 WeakPolarHBondContact CB-OD2 3.35Å; S217-D237 PolarHBondContact N-OD2 3.38Å; S217-D237 PolarHBondContact OG-OD2 3.39Å
218F81.5Confident89.7Confident18 Ų1843.3 Ų43.38%0.07921%0.211CC..  trans60.125-171.1-40.2-55000112.9Y106 P121 L124 R125 G214 K215 I216Y106-F218 HydrophobicContact CD2-CE2 4.47Å; Y106-F218 HydrophobicContact CD2-CZ 4.06Å; Y106-F218 HydrophobicContact CE2-CE2 4.47Å; Y106-F218 AromaticContact CE2-CZ 3.79Å; Y106-F218 HydrophobicContact CE2-CZ 3.79Å; P121-F218 HydrophobicContact CB-CD1 3.87Å; P121-F218 HydrophobicContact CB-CE1 3.16Å; P121-F218 HydrophobicContact CB-CZ 3.77Å; P121-F218 HydrophobicContact CG-CE1 3.48Å; P121-F218 VanDerWaalsContact CG-CE1 3.48Å; P121-F218 HydrophobicContact CG-CZ 3.68Å; L124-F218 HydrophobicContact CB-CD2 4.04Å; L124-F218 HydrophobicContact CB-CE2 4.4Å; L124-F218 HydrophobicContact CB-CG 4.36Å; L124-F218 HydrophobicContact CD1-CD2 3.68Å; L124-F218 HydrophobicContact CD1-CE2 3.35Å; L124-F218 HydrophobicContact CD1-CZ 4.18Å; L124-F218 HydrophobicContact CG-CD2 4.47Å; L124-F218 HydrophobicContact CG-CE2 4.49Å; R125-F218 HydrophobicContact CG-CB 3.86Å; R125-F218 HydrophobicContact CG-CD1 4.37Å; R125-F218 HydrophobicContact CG-CG 4.43Å; G214-F218 VanDerWaalsContact O-CA 3.31Å; G214-F218 WeakPolarHBondContact O-CA 3.47Å; G214-F218 PolarHBondContact O-N 3.09Å; G214-F218 VanDerWaalsContact O-N 3.1Å; K215-F218 VanDerWaalsContact O-CE1 3.25Å; K215-F218 WeakPolarHBondContact O-CE1 3.32Å; I216-F218 VanDerWaalsContact C-N 3.32Å; I216-F218 WeakPolarHBondContact O-CD2 3.34Å; I216-F218 WeakPolarHBondContact O-CE1 3.43Å; I216-F218 WeakPolarHBondContact O-CE2 3.46Å; I216-F218 WeakPolarHBondContact O-CZ 3.38Å; I216-F218 PolarHBondContact O-N 3.28Å
219E84.3Confident90.3Very high105 Ų10544.5 Ų44.549%0.49122%0.221SC..SBendtrans-121.9166.7-179.8-72.7164.1-163.600109.1K128 C213 G214 S217 M221K128-E219 IonicContact NZ-OE1 3.66Å; K128-E219 PolarHBondContact NZ-OE1 3.46Å; C213-E219 CarbonylContact C-O 3.58Å; C213-E219 WeakPolarHBondContact CA-O 3.27Å; G214-E219 PolarHBondContact N-O 2.85Å; S217-E219 PolarHBondContact O-N 3.03Å; E219-M221 PolarHBondContact O-N 3.08Å
220L89.4Confident90.6Very high14 Ų1445.3 Ų45.37%0.07324%0.236CC..BIsolated β-bridgetrans-56126.7176.1-17676.1000109.6I208 L212 R222 I271 F274 I275 V281I208-L220 HydrophobicContact CD1-CB 4.39Å; I208-L220 HydrophobicContact CG2-CB 4.47Å; I208-L220 HydrophobicContact CG2-CD1 3.76Å; L212-L220 HydrophobicContact CB-CD1 3.6Å; L212-L220 HydrophobicContact CD1-CD1 4.27Å; L220-R222 PolarHBondContact O-N 2.85Å; L220-I271 HydrophobicContact CD1-CG2 4.13Å; L220-I271 HydrophobicContact CD2-CG2 3.94Å; L220-I271 HydrophobicContact CG-CG2 4.08Å; L220-F274 HydrophobicContact CD1-CD1 4.31Å; L220-I275 HydrophobicContact CD2-CD1 3.83Å; L220-I275 HydrophobicContact CD2-CG1 3.73Å; L220-V281 HydrophobicContact CD2-CG1 3.51Å; L220-V281 HydrophobicContact CG-CG1 4.5Å
221M93.1Very high91.1Very high2 Ų242.9 Ų42.91%0.0122%0.223CC..  trans-66.4125.9179.3-60.2176.4-78.500109.9L212 G214 E219 P224 T232 D234 M267 I271L212-M221 VanDerWaalsContact C-CE 3.47Å; L212-M221 VanDerWaalsContact O-CE 3.23Å; L212-M221 WeakPolarHBondContact O-CE 3.38Å; L212-M221 WeakPolarHBondContact O-CG 3.45Å; L212-M221 PolarHBondContact O-N 3.23Å; G214-M221 VanDerWaalsContact N-CG 3.28Å; E219-M221 PolarHBondContact O-N 3.08Å; M221-P224 HydrophobicContact CB-CB 4.26Å; M221-P224 HydrophobicContact CE-CB 4.49Å; M221-P224 HydrophobicContact SD-CB 4.17Å; M221-T232 HydrophobicContact CE-CG2 4.04Å; M221-T232 HydrophobicContact SD-CG2 3.66Å; M221-D234 WeakPolarHBondContact CA-OD2 3.41Å; M221-D234 HydrophobicContact CB-CB 4.46Å; M221-D234 HydrophobicContact CG-CB 4.39Å; M221-M267 HydrophobicContact CE-CE 4.03Å; M221-I271 HydrophobicContact CB-CD1 3.81Å; M221-I271 HydrophobicContact CE-CD1 4.13Å; M221-I271 WeakPolarHBondContact O-CD1 3.43Å
222R89.1Confident91.4Very high124 Ų12436.9 Ų36.947%0.46820%0.202SC..SBendtrans-83.3-42.6172.8-61.1-73.1-175.8-154.1-4.2110.3L220 D234 K268L220-R222 PolarHBondContact O-N 2.85Å; R222-D234 PolarHBondContact N-OD2 3.05Å; R222-K268 WeakPolarHBondContact O-CE 3.43Å
223E92.9Very high91.5Very high106 Ų10636.9 Ų36.950%0.49520%0.201SC..SBendtrans-127.177.9-176.9-66.5-173.390.300110.3C225 R235E223-C225 PolarHBondContact O-N 2.96Å; E223-R235 HydrophobicContact CB-CB 3.75Å; E223-R235 WeakPolarHBondContact O-CB 3.5Å; E223-R235 PolarHBondContact O-N 2.79Å
224P96.8Very high91.8Very high7 Ų737 Ų375%0.04520%0.201CC..EExtended strand (participates in β ladder)trans-66.8124.9-17729.1-34.3000111.1M221 T232 Y233 N264 M267 K268 I271M221-P224 HydrophobicContact CB-CB 4.26Å; M221-P224 HydrophobicContact CE-CB 4.49Å; M221-P224 HydrophobicContact SD-CB 4.17Å; P224-T232 HydrophobicContact CB-CG2 3.62Å; P224-Y233 CarbonylContact C-O 3.5Å; P224-Y233 WeakPolarHBondContact CA-O 3.45Å; P224-N264 HydrophobicContact CB-CB 4.38Å; P224-N264 PolarHBondContact O-N 3.14Å; P224-M267 HydrophobicContact CB-CB 3.96Å; P224-M267 HydrophobicContact CG-CB 4.03Å; P224-K268 HydrophobicContact CG-CB 3.89Å; P224-K268 HydrophobicContact CG-CD 4.31Å; P224-I271 HydrophobicContact CB-CD1 4.3Å; P224-I271 HydrophobicContact CG-CD1 4.06Å
225C96.7Very high92Very high0 Ų039.8 Ų39.80%021%0.212CC..EExtended strand (participates in β ladder)trans-127.2140.5171.462.30000110.6E223 T232 Y233 I238 I262E223-C225 PolarHBondContact O-N 2.96Å; C225-T232 CarbonylContact O-C 3.57Å; C225-T232 VanDerWaalsContact O-CA 3.29Å; C225-T232 WeakPolarHBondContact O-CA 3.45Å; C225-Y233 PolarHBondContact N-O 3.25Å; C225-Y233 PolarHBondContact O-N 3.24Å; C225-I238 WeakPolarHBondContact SG-CG2 3.43Å; C225-I262 CarbonylContact C-O 3.49Å; C225-I262 VanDerWaalsContact CA-O 3.28Å; C225-I262 WeakPolarHBondContact CA-O 3.5Å
226I97.3Very high92.3Very high48 Ų4844.1 Ų44.125%0.24623%0.231CC..EExtended strand (participates in β ladder)trans-103.6136.7-177.8-164.9167.8000110.8I231 I262 N264I226-I231 WeakPolarHBondContact CA-O 3.49Å; I226-I262 HydrophobicContact CG2-CB 3.99Å; I226-I262 HydrophobicContact CG2-CG2 4.44Å; I226-I262 PolarHBondContact N-O 3.3Å; I226-I262 PolarHBondContact O-N 2.95Å; I226-I262 VanDerWaalsContact O-N 3.09Å; I226-N264 HydrophobicContact CB-CB 4.18Å; I226-N264 HydrophobicContact CG2-CB 4.33Å
227T96.7Very high92.7Very high5 Ų544.6 Ų44.63%0.03123%0.234CC..  trans-87.3163.117470.60000110.7S229 G230 I231 Y233 D249 L256 L261T227-S229 PolarHBondContact O-N 3.37Å; T227-S229 PolarHBondContact OG1-N 3.14Å; T227-G230 PolarHBondContact O-N 3.43Å; T227-I231 PolarHBondContact N-O 3.19Å; T227-Y233 HydrophobicContact CG2-CD2 3.7Å; T227-Y233 HydrophobicContact CG2-CE2 3.52Å; T227-D249 WeakPolarHBondContact CB-OD2 3.45Å; T227-D249 PolarHBondContact OG1-OD2 3.14Å; T227-L256 HydrophobicContact CG2-CD1 4.16Å; T227-L256 HydrophobicContact CG2-CD2 3.59Å; T227-L261 HydrophobicContact CG2-CD2 3.95Å
228P96.6Very high93.3Very high91 Ų9143.5 Ų43.559%0.59123%0.226SC*.THydrogen-bonded Turntrans-57.1-19.6171.7-25.535.4000114G230 L256 Q260P228-G230 PolarHBondContact O-N 3.12Å; P228-L256 HydrophobicContact CG-CD1 4.45Å; P228-Q260 HydrophobicContact CG-CB 4Å
229S93.6Very high93.9Very high46 Ų4645.1 Ų45.132%0.32223%0.234SC..THydrogen-bonded Turntrans-76-3.2173.6-62.40000113.4T227 T252 S254T227-S229 PolarHBondContact O-N 3.37Å; T227-S229 PolarHBondContact OG1-N 3.14Å; S229-T252 PolarHBondContact OG-OG1 3.2Å; S229-S254 PolarHBondContact OG-OG 3.06Å
230G94.6Very high94.3Very high51 Ų5143 Ų4353%0.52622%0.224SC..SBendtrans80.712.9-178.600000114.2T227 P228T227-G230 PolarHBondContact O-N 3.43Å; P228-G230 PolarHBondContact O-N 3.12Å
231I94.6Very high94.4Very high28 Ų2843 Ų4314%0.14422%0.223CC..  trans-100131.4-177.8-53.8-178000109.5K215 I226 T227 Y233 V251 T252K215-I231 HydrophobicContact CG-CG2 4.01Å; I226-I231 WeakPolarHBondContact CA-O 3.49Å; T227-I231 PolarHBondContact N-O 3.19Å; I231-Y233 HydrophobicContact CB-CE2 3.66Å; I231-Y233 HydrophobicContact CG2-CD2 4.18Å; I231-Y233 HydrophobicContact CG2-CE1 4.13Å; I231-Y233 HydrophobicContact CG2-CE2 3.45Å; I231-Y233 VanDerWaalsContact CG2-CE2 3.45Å; I231-Y233 VanDerWaalsContact CG2-CZ 3.4Å; I231-Y233 WeakPolarHBondContact CG2-OH 3.44Å; I231-V251 HydrophobicContact CD1-CB 3.45Å; I231-V251 VanDerWaalsContact CD1-CB 3.45Å; I231-V251 HydrophobicContact CD1-CG1 3.49Å; I231-V251 VanDerWaalsContact CD1-CG1 3.49Å; I231-V251 HydrophobicContact CD1-CG2 4.15Å; I231-T252 HydrophobicContact CD1-CG2 3.6Å
232T95.9Very high94.5Very high24 Ų2443.2 Ų43.215%0.14722%0.224CC..EExtended strand (participates in β ladder)trans-96133.2177-54.30000110.4M221 P224 C225 N264M221-T232 HydrophobicContact CE-CG2 4.04Å; M221-T232 HydrophobicContact SD-CG2 3.66Å; P224-T232 HydrophobicContact CB-CG2 3.62Å; C225-T232 CarbonylContact O-C 3.57Å; C225-T232 VanDerWaalsContact O-CA 3.29Å; C225-T232 WeakPolarHBondContact O-CA 3.45Å; T232-N264 HydrophobicContact CG2-CB 4.25Å; T232-N264 PolarHBondContact OG1-ND2 2.98Å
233Y95.1Very high94.7Very high0 Ų045.2 Ų45.20%024%0.239CC..EExtended strand (participates in β ladder)trans-127.2165.3176.7-59.2-90.8000109.6K215 I216 P224 C225 T227 I231 I238 D249 P250 V251K215-Y233 HydrophobicContact CB-CD1 3.86Å; K215-Y233 HydrophobicContact CB-CE1 3.63Å; K215-Y233 HydrophobicContact CG-CD1 4.39Å; K215-Y233 HydrophobicContact CG-CE1 4.18Å; I216-Y233 HydrophobicContact CD1-CD1 3.88Å; I216-Y233 HydrophobicContact CD1-CE1 4.37Å; I216-Y233 HydrophobicContact CG1-CD1 3.96Å; I216-Y233 HydrophobicContact CG1-CE1 4.27Å; P224-Y233 CarbonylContact C-O 3.5Å; P224-Y233 WeakPolarHBondContact CA-O 3.45Å; C225-Y233 PolarHBondContact N-O 3.25Å; C225-Y233 PolarHBondContact O-N 3.24Å; T227-Y233 HydrophobicContact CG2-CD2 3.7Å; T227-Y233 HydrophobicContact CG2-CE2 3.52Å; I231-Y233 HydrophobicContact CB-CE2 3.66Å; I231-Y233 HydrophobicContact CG2-CD2 4.18Å; I231-Y233 HydrophobicContact CG2-CE1 4.13Å; I231-Y233 HydrophobicContact CG2-CE2 3.45Å; I231-Y233 VanDerWaalsContact CG2-CE2 3.45Å; I231-Y233 VanDerWaalsContact CG2-CZ 3.4Å; I231-Y233 WeakPolarHBondContact CG2-OH 3.44Å; Y233-I238 HydrophobicContact CD1-CD1 4.44Å; Y233-I238 HydrophobicContact CD2-CD1 4.23Å; Y233-I238 HydrophobicContact CD2-CG1 4.33Å; Y233-I238 HydrophobicContact CE2-CD1 4.4Å; Y233-I238 HydrophobicContact CG-CB 4.23Å; Y233-I238 HydrophobicContact CG-CD1 4.26Å; Y233-I238 HydrophobicContact CG-CG1 4.38Å; Y233-D249 PolarHBondContact OH-OD1 3.2Å; Y233-P250 HydrophobicContact CE1-CB 4.19Å; Y233-P250 HydrophobicContact CE1-CG 3.84Å; Y233-V251 HydrophobicContact CE1-CG2 4.27Å; Y233-V251 WeakPolarHBondContact OH-CB 3.47Å; Y233-V251 VanDerWaalsContact OH-CG2 3.23Å; Y233-V251 WeakPolarHBondContact OH-CG2 3.49Å
234D95.4Very high94.5Very high13 Ų1348.7 Ų48.77%0.0725%0.248CC..EExtended strand (participates in β ladder)trans-72.6133.3159.7-162.3-54.7000109.2M221 R222 K236 D237 I238M221-D234 WeakPolarHBondContact CA-OD2 3.41Å; M221-D234 HydrophobicContact CB-CB 4.46Å; M221-D234 HydrophobicContact CG-CB 4.39Å; R222-D234 PolarHBondContact N-OD2 3.05Å; D234-K236 VanDerWaalsContact C-N 3.31Å; D234-K236 PolarHBondContact O-N 3.34Å; D234-K236 PolarHBondContact OD1-N 3.07Å; D234-D237 HydrophobicContact CB-CB 4.45Å; D234-D237 WeakPolarHBondContact CB-OD2 3.33Å; D234-D237 PolarHBondContact O-N 3Å; D234-I238 WeakPolarHBondContact O-CG2 3.33Å; D234-I238 PolarHBondContact O-N 2.89Å; D234-I238 VanDerWaalsContact O-N 3.09Å
235R93.8Very high94.1Very high58 Ų5850.1 Ų50.122%0.21926%0.256CS..Hα-helixtrans-50.9-49.2-179.5177.7174.5-65.9-73.4-2.9111.9E223 D237 I238 E239E223-R235 HydrophobicContact CB-CB 3.75Å; E223-R235 WeakPolarHBondContact O-CB 3.5Å; E223-R235 PolarHBondContact O-N 2.79Å; R235-D237 VanDerWaalsContact C-N 3.28Å; R235-D237 PolarHBondContact O-N 3.4Å; R235-I238 VanDerWaalsContact O-CG2 3.32Å; R235-I238 WeakPolarHBondContact O-CG2 3.46Å; R235-I238 PolarHBondContact O-N 3.27Å; R235-E239 VanDerWaalsContact CG-CD 3.48Å; R235-E239 HydrophobicContact CG-CG 4.17Å; R235-E239 VanDerWaalsContact CG-OE1 3.3Å; R235-E239 WeakPolarHBondContact CG-OE1 3.41Å; R235-E239 IonicContact NH1-OE1 3.16Å; R235-E239 PolarHBondContact NH1-OE1 2.8Å; R235-E239 WeakPolarHBondContact O-CB 3.41Å; R235-E239 WeakPolarHBondContact O-CG 3.35Å; R235-E239 PolarHBondContact O-N 2.66Å
236K93.3Very high93.7Very high141 Ų14151 Ų5161%0.61327%0.266SS*.Hα-helixtrans-59-44.6-176.2179.9-176173.5-1720111.2D234 E240D234-K236 VanDerWaalsContact C-N 3.31Å; D234-K236 PolarHBondContact O-N 3.34Å; D234-K236 PolarHBondContact OD1-N 3.07Å; K236-E240 WeakPolarHBondContact O-CB 3.36Å; K236-E240 PolarHBondContact O-N 3.34Å
237D93.8Very high93.6Very high32 Ų3254.9 Ų54.917%0.17128%0.282CS..Hα-helixtrans-69.7-43.4-176.2-64.4-36.2000112.3I216 S217 D234 R235 H241I216-D237 HydrophobicContact CB-CB 3.69Å; I216-D237 HydrophobicContact CD1-CB 3.83Å; I216-D237 HydrophobicContact CG1-CB 4.36Å; I216-D237 HydrophobicContact CG2-CB 3.74Å; S217-D237 WeakPolarHBondContact CB-OD2 3.35Å; S217-D237 PolarHBondContact N-OD2 3.38Å; S217-D237 PolarHBondContact OG-OD2 3.39Å; D234-D237 HydrophobicContact CB-CB 4.45Å; D234-D237 WeakPolarHBondContact CB-OD2 3.33Å; D234-D237 PolarHBondContact O-N 3Å; R235-D237 VanDerWaalsContact C-N 3.28Å; R235-D237 PolarHBondContact O-N 3.4Å; D237-H241 WeakPolarHBondContact O-CB 3.46Å; D237-H241 PolarHBondContact O-N 3.24Å
238I95.1Very high93.5Very high0 Ų057 Ų570%029%0.291CS..Hα-helixtrans-71.5-36.9-178.7-170.162000111.3I216 C225 Y233 D234 R235 H241 L242 P250 L256 L261I216-I238 HydrophobicContact CD1-CB 4.31Å; I216-I238 HydrophobicContact CD1-CD1 4.17Å; C225-I238 WeakPolarHBondContact SG-CG2 3.43Å; Y233-I238 HydrophobicContact CD1-CD1 4.44Å; Y233-I238 HydrophobicContact CD2-CD1 4.23Å; Y233-I238 HydrophobicContact CD2-CG1 4.33Å; Y233-I238 HydrophobicContact CE2-CD1 4.4Å; Y233-I238 HydrophobicContact CG-CB 4.23Å; Y233-I238 HydrophobicContact CG-CD1 4.26Å; Y233-I238 HydrophobicContact CG-CG1 4.38Å; D234-I238 WeakPolarHBondContact O-CG2 3.33Å; D234-I238 PolarHBondContact O-N 2.89Å; D234-I238 VanDerWaalsContact O-N 3.09Å; R235-I238 VanDerWaalsContact O-CG2 3.32Å; R235-I238 WeakPolarHBondContact O-CG2 3.46Å; R235-I238 PolarHBondContact O-N 3.27Å; I238-H241 PolarHBondContact O-N 3.49Å; I238-L242 HydrophobicContact CG1-CD1 4.27Å; I238-L242 HydrophobicContact CG1-CG 4.42Å; I238-L242 WeakPolarHBondContact O-CB 3.49Å; I238-L242 VanDerWaalsContact O-CG 3.24Å; I238-L242 WeakPolarHBondContact O-CG 3.41Å; I238-L242 PolarHBondContact O-N 3.27Å; I238-P250 VanDerWaalsContact CD1-CD 3.42Å; I238-P250 HydrophobicContact CD1-CG 3.54Å; I238-L256 HydrophobicContact CD1-CD2 4.16Å; I238-L256 HydrophobicContact CG1-CD2 4.4Å; I238-L261 HydrophobicContact CG1-CD1 4.4Å; I238-L261 HydrophobicContact CG1-CD2 3.92Å; I238-L261 HydrophobicContact CG2-CD1 3.62Å; I238-L261 HydrophobicContact CG2-CD2 4.09Å
239E93.6Very high93.3Very high53 Ų5352.6 Ų52.625%0.24826%0.263CS..Hα-helixtrans-64.5-43.9175.3-71.9-179.2170.500110.9R235 H241 L242 Q243 Q258 L261R235-E239 VanDerWaalsContact CG-CD 3.48Å; R235-E239 HydrophobicContact CG-CG 4.17Å; R235-E239 VanDerWaalsContact CG-OE1 3.3Å; R235-E239 WeakPolarHBondContact CG-OE1 3.41Å; R235-E239 IonicContact NH1-OE1 3.16Å; R235-E239 PolarHBondContact NH1-OE1 2.8Å; R235-E239 WeakPolarHBondContact O-CB 3.41Å; R235-E239 WeakPolarHBondContact O-CG 3.35Å; R235-E239 PolarHBondContact O-N 2.66Å; E239-H241 VanDerWaalsContact C-N 3.34Å; E239-H241 PolarHBondContact O-N 3.3Å; E239-L242 PolarHBondContact O-N 3.2Å; E239-Q243 WeakPolarHBondContact O-CB 3.41Å; E239-Q243 PolarHBondContact O-N 3.01Å; E239-Q258 HydrophobicContact CG-CG 4.18Å; E239-Q258 PolarHBondContact OE1-NE2 3.44Å; E239-Q258 VanDerWaalsContact OE1-NE2 3.14Å; E239-L261 HydrophobicContact CG-CD1 3.94Å
240E93.3Very high93.1Very high60 Ų6051.1 Ų51.128%0.2825%0.252SS..Hα-helixtrans-61.7-42.4174.2-169.7-171.9139.600111.7K236 Q243 R244K236-E240 WeakPolarHBondContact O-CB 3.36Å; K236-E240 PolarHBondContact O-N 3.34Å; E240-Q243 PolarHBondContact O-N 3.34Å; E240-R244 HydrophobicContact CG-CG 4.12Å; E240-R244 VanDerWaalsContact O-CB 3.31Å; E240-R244 WeakPolarHBondContact O-CB 3.45Å; E240-R244 WeakPolarHBondContact O-CG 3.48Å; E240-R244 PolarHBondContact O-N 3.33Å; E240-R244 IonicContact OE1-CZ 2.63Å; E240-R244 IonicContact OE1-NE 3.73Å; E240-R244 IonicContact OE1-NH1 3.39Å; E240-R244 PolarHBondContact OE1-NH1 3.45Å; E240-R244 IonicContact OE2-NH1 2.94Å
241H92.1Very high92.8Very high14 Ų1450.8 Ų50.87%0.06524%0.24CC..Hα-helixtrans-60.1-48.5175.916984.6000111.9I216 D237 I238 E239 Q243 R244 V245 G246 F248I216-H241 HydrophobicContact CD1-CB 4.16Å; D237-H241 WeakPolarHBondContact O-CB 3.46Å; D237-H241 PolarHBondContact O-N 3.24Å; I238-H241 PolarHBondContact O-N 3.49Å; E239-H241 VanDerWaalsContact C-N 3.34Å; E239-H241 PolarHBondContact O-N 3.3Å; H241-Q243 VanDerWaalsContact C-N 3.27Å; H241-Q243 PolarHBondContact O-N 2.8Å; H241-R244 PolarHBondContact O-N 2.91Å; H241-V245 WeakPolarHBondContact O-CA 3.34Å; H241-V245 VanDerWaalsContact O-CB 3.25Å; H241-V245 WeakPolarHBondContact O-CB 3.46Å; H241-V245 PolarHBondContact O-N 3.11Å; H241-G246 PolarHBondContact O-N 3.47Å; H241-F248 PolarHBondContact CD2-O 3.42Å; H241-F248 AromaticContact CE1-CE2 3.56Å; H241-F248 AromaticContact CE1-CZ 3.71Å; H241-F248 AromaticContact NE2-CD2 3.96Å; H241-F248 AromaticContact NE2-CE2 3.63Å; H241-F248 AromaticContact NE2-CZ 3.97Å; H241-F248 PolarHBondContact NE2-O 2.88Å
242L94.3Very high92.6Very high6 Ų652.7 Ų52.73%0.03125%0.253CS..Hα-helixtrans-61.6-37-179.6-70.6173.3000111.9I238 E239 G246 L256 Q258 L261I238-L242 HydrophobicContact CG1-CD1 4.27Å; I238-L242 HydrophobicContact CG1-CG 4.42Å; I238-L242 WeakPolarHBondContact O-CB 3.49Å; I238-L242 VanDerWaalsContact O-CG 3.24Å; I238-L242 WeakPolarHBondContact O-CG 3.41Å; I238-L242 PolarHBondContact O-N 3.27Å; E239-L242 PolarHBondContact O-N 3.2Å; L242-G246 CarbonylContact O-C 3.41Å; L242-L256 HydrophobicContact CD1-CD2 4.44Å; L242-L256 HydrophobicContact CD1-CG 4.42Å; L242-L256 HydrophobicContact CD2-CB 4.16Å; L242-L256 HydrophobicContact CD2-CD2 4.07Å; L242-L256 HydrophobicContact CD2-CG 4.03Å; L242-L256 WeakPolarHBondContact CD2-O 3.48Å; L242-Q258 HydrophobicContact CD1-CB 4.26Å; L242-L261 HydrophobicContact CD1-CD1 4.03Å; L242-L261 HydrophobicContact CD1-CG 4.39Å
243Q92.3Very high92.2Very high167 Ų16755.7 Ų55.778%0.7826%0.261SS*.Hα-helixtrans-78.8-41.5179.9-166176.730.100113.6E239 E240 H241E239-Q243 WeakPolarHBondContact O-CB 3.41Å; E239-Q243 PolarHBondContact O-N 3.01Å; E240-Q243 PolarHBondContact O-N 3.34Å; H241-Q243 VanDerWaalsContact C-N 3.27Å; H241-Q243 PolarHBondContact O-N 2.8Å
244R89.8Confident92.1Very high179 Ų17957.5 Ų57.568%0.67527%0.274SS*.Hα-helixtrans-94.2-33.3-172.5-64.7-172.3179.9171-4.2114E240 H241E240-R244 HydrophobicContact CG-CG 4.12Å; E240-R244 VanDerWaalsContact O-CB 3.31Å; E240-R244 WeakPolarHBondContact O-CB 3.45Å; E240-R244 WeakPolarHBondContact O-CG 3.48Å; E240-R244 PolarHBondContact O-N 3.33Å; E240-R244 IonicContact OE1-CZ 2.63Å; E240-R244 IonicContact OE1-NE 3.73Å; E240-R244 IonicContact OE1-NH1 3.39Å; E240-R244 PolarHBondContact OE1-NH1 3.45Å; E240-R244 IonicContact OE2-NH1 2.94Å; H241-R244 PolarHBondContact O-N 2.91Å
245V88.2Confident92.1Very high37 Ų3762.2 Ų62.222%0.22431%0.305CS..THydrogen-bonded Turntrans-101.7-51-173-170.30000110.8K110 H241 F248K110-V245 HydrophobicContact CD-CG2 4.17Å; K110-V245 HydrophobicContact CG-CG2 4.07Å; H241-V245 WeakPolarHBondContact O-CA 3.34Å; H241-V245 VanDerWaalsContact O-CB 3.25Å; H241-V245 WeakPolarHBondContact O-CB 3.46Å; H241-V245 PolarHBondContact O-N 3.11Å; V245-F248 HydrophobicContact CG1-CE1 4.23Å; V245-F248 HydrophobicContact CG1-CZ 3.79Å
246G89.3Confident92.2Very high19 Ų1959.5 Ų59.520%0.19630%0.295CS..  trans153.7166.7175.900000114.1H241 L242 F248H241-G246 PolarHBondContact O-N 3.47Å; L242-G246 CarbonylContact O-C 3.41Å; G246-F248 VanDerWaalsContact C-N 3.26Å; G246-F248 PolarHBondContact O-N 2.86Å
247H94.9Very high92.3Very high129 Ų12954.8 Ų54.860%0.59728%0.278SS*.SBendtrans-78.564.5-175.1-59.6119.9000113.3L256 T257H247-L256 CarbonylContact C-O 3.56Å; H247-L256 WeakPolarHBondContact CA-O 3.48Å; H247-L256 VanDerWaalsContact CB-O 3.31Å; H247-L256 WeakPolarHBondContact CB-O 3.31Å; H247-L256 PolarHBondContact O-N 3.29Å; H247-L256 VanDerWaalsContact O-N 3.17Å; H247-T257 HydrophobicContact CB-CG2 4.45Å
248F93.3Very high92.3Very high48 Ų4858.2 Ų58.221%0.21129%0.293CS..BIsolated β-bridgetrans-150.2151.8175.863.7-93.7000111.5H241 V245 G246 S254H241-F248 PolarHBondContact CD2-O 3.42Å; H241-F248 AromaticContact CE1-CE2 3.56Å; H241-F248 AromaticContact CE1-CZ 3.71Å; H241-F248 AromaticContact NE2-CD2 3.96Å; H241-F248 AromaticContact NE2-CE2 3.63Å; H241-F248 AromaticContact NE2-CZ 3.97Å; H241-F248 PolarHBondContact NE2-O 2.88Å; V245-F248 HydrophobicContact CG1-CE1 4.23Å; V245-F248 HydrophobicContact CG1-CZ 3.79Å; G246-F248 VanDerWaalsContact C-N 3.26Å; G246-F248 PolarHBondContact O-N 2.86Å; F248-S254 CarbonylContact C-O 3Å; F248-S254 WeakPolarHBondContact CA-O 3.4Å; F248-S254 WeakPolarHBondContact CB-O 3.44Å
249D92.8Very high92.3Very high0 Ų064.7 Ų64.70%033%0.328CS..  trans-64.6124.9176.4-176.9-65.7000110.6T227 Y233 V251 T252 R253 S254 L256T227-D249 WeakPolarHBondContact CB-OD2 3.45Å; T227-D249 PolarHBondContact OG1-OD2 3.14Å; Y233-D249 PolarHBondContact OH-OD1 3.2Å; D249-V251 PolarHBondContact O-N 3.36Å; D249-V251 VanDerWaalsContact O-N 3.12Å; D249-V251 PolarHBondContact OD1-N 3.36Å; D249-T252 WeakPolarHBondContact CB-OG1 3.4Å; D249-T252 VanDerWaalsContact CG-OG1 3.28Å; D249-T252 PolarHBondContact OD1-N 2.95Å; D249-T252 PolarHBondContact OD1-OG1 3.48Å; D249-R253 WeakPolarHBondContact O-CA 3.12Å; D249-R253 PolarHBondContact O-N 3.21Å; D249-S254 PolarHBondContact N-O 2.91Å; D249-L256 HydrophobicContact CB-CB 4.33Å; D249-L256 HydrophobicContact CB-CD2 4.07Å
250P89.4Confident92.5Very high15 Ų1565.7 Ų65.710%0.09733%0.332CS..THydrogen-bonded Turntrans-56.4-31.3-175.5-23.227000114.8I216 Y233 I238 R253I216-P250 HydrophobicContact CD1-CG 3.98Å; I216-P250 HydrophobicContact CG1-CG 4.36Å; Y233-P250 HydrophobicContact CE1-CB 4.19Å; Y233-P250 HydrophobicContact CE1-CG 3.84Å; I238-P250 VanDerWaalsContact CD1-CD 3.42Å; I238-P250 HydrophobicContact CD1-CG 3.54Å; P250-R253 PolarHBondContact O-NE 3.31Å; P250-R253 VanDerWaalsContact O-NE 3.15Å
251V88.9Confident92.6Very high44 Ų4463.6 Ų63.627%0.26732%0.323SS..THydrogen-bonded Turntrans-97.4-53.6-173.5174.40000110.1K215 I231 Y233 D249K215-V251 HydrophobicContact CB-CG2 4.35Å; I231-V251 HydrophobicContact CD1-CB 3.45Å; I231-V251 VanDerWaalsContact CD1-CB 3.45Å; I231-V251 HydrophobicContact CD1-CG1 3.49Å; I231-V251 VanDerWaalsContact CD1-CG1 3.49Å; I231-V251 HydrophobicContact CD1-CG2 4.15Å; Y233-V251 HydrophobicContact CE1-CG2 4.27Å; Y233-V251 WeakPolarHBondContact OH-CB 3.47Å; Y233-V251 VanDerWaalsContact OH-CG2 3.23Å; Y233-V251 WeakPolarHBondContact OH-CG2 3.49Å; D249-V251 PolarHBondContact O-N 3.36Å; D249-V251 VanDerWaalsContact O-N 3.12Å; D249-V251 PolarHBondContact OD1-N 3.36Å
252T89.9Confident92.9Very high67 Ų6767.8 Ų67.841%0.41135%0.345SS..THydrogen-bonded Turntrans-85.6-17.6-175.867.10000113.7S229 I231 D249 S254S229-T252 PolarHBondContact OG-OG1 3.2Å; I231-T252 HydrophobicContact CD1-CG2 3.6Å; D249-T252 WeakPolarHBondContact CB-OG1 3.4Å; D249-T252 VanDerWaalsContact CG-OG1 3.28Å; D249-T252 PolarHBondContact OD1-N 2.95Å; D249-T252 PolarHBondContact OD1-OG1 3.48Å; T252-S254 PolarHBondContact O-N 3.38Å; T252-S254 VanDerWaalsContact O-N 3.17Å; T252-S254 PolarHBondContact OG1-N 3.14Å; T252-S254 PolarHBondContact OG1-OG 3.4Å
253R87.9Confident93Very high87 Ų8770.8 Ų70.833%0.32837%0.365SS..  trans59.815-173.5-52-61.1176.2139.9-0.6114.4L114 N115 D249 P250L114-R253 PolarHBondContact O-NH2 2.94Å; N115-R253 VanDerWaalsContact ND2-CG 3.34Å; N115-R253 WeakPolarHBondContact ND2-CG 3.31Å; N115-R253 PolarHBondContact OD1-NE 3.08Å; N115-R253 VanDerWaalsContact OD1-NE 3.14Å; N115-R253 PolarHBondContact OD1-NH2 3.22Å; D249-R253 WeakPolarHBondContact O-CA 3.12Å; D249-R253 PolarHBondContact O-N 3.21Å; P250-R253 PolarHBondContact O-NE 3.31Å; P250-R253 VanDerWaalsContact O-NE 3.15Å
254S92.5Very high93.2Very high38 Ų3864.1 Ų64.127%0.26633%0.334SS..  trans-64.5149168.862.60000110.1S229 F248 D249 T252 L256S229-S254 PolarHBondContact OG-OG 3.06Å; F248-S254 CarbonylContact C-O 3Å; F248-S254 WeakPolarHBondContact CA-O 3.4Å; F248-S254 WeakPolarHBondContact CB-O 3.44Å; D249-S254 PolarHBondContact N-O 2.91Å; T252-S254 PolarHBondContact O-N 3.38Å; T252-S254 VanDerWaalsContact O-N 3.17Å; T252-S254 PolarHBondContact OG1-N 3.14Å; T252-S254 PolarHBondContact OG1-OG 3.4Å; S254-L256 PolarHBondContact O-N 3.01Å
255P95.9Very high93.5Very high112 Ų11261.3 Ų61.373%0.72733%0.332SS*.BIsolated β-bridgetrans-60.2128.9175.524.8-32.2000109.5
256L96.8Very high93.9Very high2 Ų262.5 Ų62.51%0.0135%0.346CS..  trans-141.4134.1-174-178.867.5000109.4T227 P228 I238 L242 H247 D249 S254 Q260 L261T227-L256 HydrophobicContact CG2-CD1 4.16Å; T227-L256 HydrophobicContact CG2-CD2 3.59Å; P228-L256 HydrophobicContact CG-CD1 4.45Å; I238-L256 HydrophobicContact CD1-CD2 4.16Å; I238-L256 HydrophobicContact CG1-CD2 4.4Å; L242-L256 HydrophobicContact CD1-CD2 4.44Å; L242-L256 HydrophobicContact CD1-CG 4.42Å; L242-L256 HydrophobicContact CD2-CB 4.16Å; L242-L256 HydrophobicContact CD2-CD2 4.07Å; L242-L256 HydrophobicContact CD2-CG 4.03Å; L242-L256 WeakPolarHBondContact CD2-O 3.48Å; H247-L256 CarbonylContact C-O 3.56Å; H247-L256 WeakPolarHBondContact CA-O 3.48Å; H247-L256 VanDerWaalsContact CB-O 3.31Å; H247-L256 WeakPolarHBondContact CB-O 3.31Å; H247-L256 PolarHBondContact O-N 3.29Å; H247-L256 VanDerWaalsContact O-N 3.17Å; D249-L256 HydrophobicContact CB-CB 4.33Å; D249-L256 HydrophobicContact CB-CD2 4.07Å; S254-L256 PolarHBondContact O-N 3.01Å; L256-Q260 HydrophobicContact CD1-CB 4.02Å; L256-L261 HydrophobicContact CD2-CD2 4.34Å
257T94.9Very high94.2Very high41 Ų4163.3 Ų63.325%0.25235%0.345SS..  trans-123.1158.9174.655.80000110.5H247 D259 Q260H247-T257 HydrophobicContact CB-CG2 4.45Å; T257-D259 WeakPolarHBondContact CB-OD1 3.23Å; T257-D259 PolarHBondContact O-N 3.26Å; T257-D259 PolarHBondContact OG1-OD1 3.45Å; T257-D259 PolarHBondContact OG1-OD2 3.14Å; T257-Q260 WeakPolarHBondContact O-CB 3.39Å; T257-Q260 PolarHBondContact O-N 2.85Å; T257-Q260 WeakPolarHBondContact OG1-CG 3.49Å
258Q94.4Very high94.2Very high105 Ų10560.4 Ų60.449%0.49133%0.331SS..G310 helixtrans-61.7-34.6-173.2-176.6176.98.200112.5E239 L242 Q260 L261E239-Q258 HydrophobicContact CG-CG 4.18Å; E239-Q258 PolarHBondContact OE1-NE2 3.44Å; E239-Q258 VanDerWaalsContact OE1-NE2 3.14Å; L242-Q258 HydrophobicContact CD1-CB 4.26Å; Q258-Q260 PolarHBondContact O-N 3.44Å; Q258-L261 HydrophobicContact CG-CD1 4.23Å; Q258-L261 WeakPolarHBondContact O-CB 3.38Å; Q258-L261 WeakPolarHBondContact O-CG 3.5Å; Q258-L261 PolarHBondContact O-N 2.84Å; Q258-L261 VanDerWaalsContact O-N 3.1Å
259D95.2Very high94.3Very high135 Ų13564.9 Ų64.972%0.72235%0.352SS*.G310 helixtrans-61.1-18.5174.542.9-65000114T257T257-D259 WeakPolarHBondContact CB-OD1 3.23Å; T257-D259 PolarHBondContact O-N 3.26Å; T257-D259 PolarHBondContact OG1-OD1 3.45Å; T257-D259 PolarHBondContact OG1-OD2 3.14Å
260Q95.8Very high94.4Very high75 Ų7568.1 Ų68.135%0.3537%0.372SS..G310 helixtrans-90-4176.8-61.6175.8-8.500113.3P228 L256 T257 Q258 I262P228-Q260 HydrophobicContact CG-CB 4Å; L256-Q260 HydrophobicContact CD1-CB 4.02Å; T257-Q260 WeakPolarHBondContact O-CB 3.39Å; T257-Q260 PolarHBondContact O-N 2.85Å; T257-Q260 WeakPolarHBondContact OG1-CG 3.49Å; Q258-Q260 PolarHBondContact O-N 3.44Å; Q260-I262 PolarHBondContact O-N 3.33Å
261L96.5Very high94.6Very high15 Ų1567.5 Ų67.58%0.07937%0.368CS..  trans-76.9113180-62.2177.8000110.7T227 I238 E239 L242 L256 Q258T227-L261 HydrophobicContact CG2-CD2 3.95Å; I238-L261 HydrophobicContact CG1-CD1 4.4Å; I238-L261 HydrophobicContact CG1-CD2 3.92Å; I238-L261 HydrophobicContact CG2-CD1 3.62Å; I238-L261 HydrophobicContact CG2-CD2 4.09Å; E239-L261 HydrophobicContact CG-CD1 3.94Å; L242-L261 HydrophobicContact CD1-CD1 4.03Å; L242-L261 HydrophobicContact CD1-CG 4.39Å; L256-L261 HydrophobicContact CD2-CD2 4.34Å; Q258-L261 HydrophobicContact CG-CD1 4.23Å; Q258-L261 WeakPolarHBondContact O-CB 3.38Å; Q258-L261 WeakPolarHBondContact O-CG 3.5Å; Q258-L261 PolarHBondContact O-N 2.84Å; Q258-L261 VanDerWaalsContact O-N 3.1Å
262I97.6Very high94.6Very high103 Ų10368 Ų6853%0.52837%0.369SS..EExtended strand (participates in β ladder)trans-96.7128.5179.5-57.5174.9000108.6C225 I226 Q260 N264C225-I262 CarbonylContact C-O 3.49Å; C225-I262 VanDerWaalsContact CA-O 3.28Å; C225-I262 WeakPolarHBondContact CA-O 3.5Å; I226-I262 HydrophobicContact CG2-CB 3.99Å; I226-I262 HydrophobicContact CG2-CG2 4.44Å; I226-I262 PolarHBondContact N-O 3.3Å; I226-I262 PolarHBondContact O-N 2.95Å; I226-I262 VanDerWaalsContact O-N 3.09Å; Q260-I262 PolarHBondContact O-N 3.33Å; I262-N264 PolarHBondContact O-N 3.26Å
263P97.3Very high94.7Very high69 Ų6967.4 Ų67.445%0.44837%0.37SS..EExtended strand (participates in β ladder)trans-61.7125.3174.125.7-32.6000110.2L265P263-L265 HydrophobicContact CB-CD2 4.31Å; P263-L265 PolarHBondContact O-N 2.92Å; P263-L265 VanDerWaalsContact O-N 3.16Å
264N97.1Very high94.8Very high26 Ų2664.6 Ų64.614%0.13936%0.361CS..  trans-89.780.1-179.8-168.9-17.9000109.5P224 I226 T232 I262 A266 M267 K268P224-N264 HydrophobicContact CB-CB 4.38Å; P224-N264 PolarHBondContact O-N 3.14Å; I226-N264 HydrophobicContact CB-CB 4.18Å; I226-N264 HydrophobicContact CG2-CB 4.33Å; T232-N264 HydrophobicContact CG2-CB 4.25Å; T232-N264 PolarHBondContact OG1-ND2 2.98Å; I262-N264 PolarHBondContact O-N 3.26Å; N264-A266 VanDerWaalsContact C-N 3.29Å; N264-A266 PolarHBondContact O-N 3.45Å; N264-M267 HydrophobicContact CB-CB 4.16Å; N264-M267 HydrophobicContact CB-CG 4.47Å; N264-M267 VanDerWaalsContact CG-CG 3.47Å; N264-M267 WeakPolarHBondContact ND2-CG 3.49Å; N264-M267 PolarHBondContact O-N 3.26Å; N264-M267 PolarHBondContact OD1-N 3.14Å; N264-M267 VanDerWaalsContact OD1-N 3.16Å; N264-K268 PolarHBondContact O-N 3.11Å
265L96.1Very high94.5Very high120 Ų12064.3 Ų64.363%0.62836%0.356SS*.Hα-helixtrans-60.5-37.7-175.5-59.2178.7000112.6P263 M267 K268 E269P263-L265 HydrophobicContact CB-CD2 4.31Å; P263-L265 PolarHBondContact O-N 2.92Å; P263-L265 VanDerWaalsContact O-N 3.16Å; L265-M267 PolarHBondContact O-N 3.2Å; L265-K268 WeakPolarHBondContact O-CB 3.45Å; L265-K268 PolarHBondContact O-N 3.43Å; L265-K268 VanDerWaalsContact O-N 3.13Å; L265-E269 PolarHBondContact O-N 3.46Å
266A96.3Very high94Very high62 Ų6267 Ų6751%0.51236%0.359SS..Hα-helixtrans-61.6-45.5176.600000111.5N264 K268 E269 V270N264-A266 VanDerWaalsContact C-N 3.29Å; N264-A266 PolarHBondContact O-N 3.45Å; A266-K268 VanDerWaalsContact C-N 3.29Å; A266-K268 PolarHBondContact O-N 2.84Å; A266-E269 PolarHBondContact O-N 3.5Å; A266-V270 WeakPolarHBondContact O-CG2 3.45Å; A266-V270 PolarHBondContact O-N 3.35Å; A266-V270 VanDerWaalsContact O-N 3.09Å
267M95.2Very high93.4Very high36 Ų3674.3 Ų74.318%0.17739%0.393CS..Hα-helixtrans-66.2-32.6174.8-74.5-61.4-60.400112.3Y211 L212 M221 P224 N264 L265 V270 I271Y211-M267 WeakPolarHBondContact O-CE 3.41Å; L212-M267 HydrophobicContact CD2-CE 3.78Å; M221-M267 HydrophobicContact CE-CE 4.03Å; P224-M267 HydrophobicContact CB-CB 3.96Å; P224-M267 HydrophobicContact CG-CB 4.03Å; N264-M267 HydrophobicContact CB-CB 4.16Å; N264-M267 HydrophobicContact CB-CG 4.47Å; N264-M267 VanDerWaalsContact CG-CG 3.47Å; N264-M267 WeakPolarHBondContact ND2-CG 3.49Å; N264-M267 PolarHBondContact O-N 3.26Å; N264-M267 PolarHBondContact OD1-N 3.14Å; N264-M267 VanDerWaalsContact OD1-N 3.16Å; L265-M267 PolarHBondContact O-N 3.2Å; M267-V270 PolarHBondContact O-N 2.93Å; M267-I271 WeakPolarHBondContact O-CB 3.4Å; M267-I271 WeakPolarHBondContact O-CG1 3.49Å; M267-I271 PolarHBondContact O-N 3.2Å
268K94.1Very high92.6Very high69 Ų6973.7 Ų73.730%0.339%0.388SS..Hα-helixtrans-62.5-45.3175.2-175.361.217073.40111.4R222 P224 N264 L265 A266 V270 I271 D272R222-K268 WeakPolarHBondContact O-CE 3.43Å; P224-K268 HydrophobicContact CG-CB 3.89Å; P224-K268 HydrophobicContact CG-CD 4.31Å; N264-K268 PolarHBondContact O-N 3.11Å; L265-K268 WeakPolarHBondContact O-CB 3.45Å; L265-K268 PolarHBondContact O-N 3.43Å; L265-K268 VanDerWaalsContact O-N 3.13Å; A266-K268 VanDerWaalsContact C-N 3.29Å; A266-K268 PolarHBondContact O-N 2.84Å; K268-V270 PolarHBondContact O-N 3Å; K268-I271 PolarHBondContact O-N 3.03Å; K268-D272 IonicContact NZ-OD1 2.61Å; K268-D272 PolarHBondContact NZ-OD1 2.9Å; K268-D272 IonicContact NZ-OD2 2.68Å; K268-D272 PolarHBondContact NZ-OD2 2.98Å; K268-D272 WeakPolarHBondContact O-CB 3.47Å; K268-D272 PolarHBondContact O-N 3.13Å
269E95.8Very high91.3Very high141 Ų14171 Ų7166%0.65939%0.389SS*.Hα-helixtrans-61.7-42.5175.7-70.2176-170.100112.1L265 A266 I271 D272 A273L265-E269 PolarHBondContact O-N 3.46Å; A266-E269 PolarHBondContact O-N 3.5Å; E269-I271 VanDerWaalsContact C-N 3.35Å; E269-I271 PolarHBondContact O-N 3.47Å; E269-D272 PolarHBondContact O-N 3.17Å; E269-A273 WeakPolarHBondContact O-CB 3.48Å; E269-A273 PolarHBondContact O-N 3.14Å
270V95.3Very high90.2Very high69 Ų6966.1 Ų66.142%0.41836%0.36SS..Hα-helixtrans-61.6-44176.41730000111.2L212 A266 M267 K268 F274L212-V270 HydrophobicContact CD2-CG1 3.73Å; A266-V270 WeakPolarHBondContact O-CG2 3.45Å; A266-V270 PolarHBondContact O-N 3.35Å; A266-V270 VanDerWaalsContact O-N 3.09Å; M267-V270 PolarHBondContact O-N 2.93Å; K268-V270 PolarHBondContact O-N 3Å; V270-F274 WeakPolarHBondContact O-CB 3.44Å; V270-F274 PolarHBondContact O-N 3.23Å
271I92.4Very high89.1Confident1 Ų162.7 Ų62.71%0.00534%0.344CS..Hα-helixtrans-67.5-40.9178.8-69.1170.1000110.9L212 L220 M221 P224 M267 K268 E269 F274 I275L212-I271 HydrophobicContact CB-CG1 4.4Å; L212-I271 HydrophobicContact CD2-CG1 3.89Å; L220-I271 HydrophobicContact CD1-CG2 4.13Å; L220-I271 HydrophobicContact CD2-CG2 3.94Å; L220-I271 HydrophobicContact CG-CG2 4.08Å; M221-I271 HydrophobicContact CB-CD1 3.81Å; M221-I271 HydrophobicContact CE-CD1 4.13Å; M221-I271 WeakPolarHBondContact O-CD1 3.43Å; P224-I271 HydrophobicContact CB-CD1 4.3Å; P224-I271 HydrophobicContact CG-CD1 4.06Å; M267-I271 WeakPolarHBondContact O-CB 3.4Å; M267-I271 WeakPolarHBondContact O-CG1 3.49Å; M267-I271 PolarHBondContact O-N 3.2Å; K268-I271 PolarHBondContact O-N 3.03Å; E269-I271 VanDerWaalsContact C-N 3.35Å; E269-I271 PolarHBondContact O-N 3.47Å; I271-F274 WeakPolarHBondContact O-CB 3.43Å; I271-F274 PolarHBondContact O-N 2.93Å; I271-I275 HydrophobicContact CG2-CD1 3.82Å; I271-I275 HydrophobicContact CG2-CG1 4.32Å; I271-I275 VanDerWaalsContact O-CG1 3.31Å; I271-I275 WeakPolarHBondContact O-CG1 3.1Å; I271-I275 PolarHBondContact O-N 3.2Å
272D89.9Confident87.4Confident56 Ų5668.5 Ų68.530%0.29937%0.371SS..Hα-helixtrans-64.8-42.8178.4-71.4-19.7000111.6K268 E269 F274 I275 Q276K268-D272 IonicContact NZ-OD1 2.61Å; K268-D272 PolarHBondContact NZ-OD1 2.9Å; K268-D272 IonicContact NZ-OD2 2.68Å; K268-D272 PolarHBondContact NZ-OD2 2.98Å; K268-D272 WeakPolarHBondContact O-CB 3.47Å; K268-D272 PolarHBondContact O-N 3.13Å; E269-D272 PolarHBondContact O-N 3.17Å; D272-F274 VanDerWaalsContact C-N 3.31Å; D272-F274 PolarHBondContact O-N 3.5Å; D272-I275 PolarHBondContact O-N 2.98Å; D272-Q276 VanDerWaalsContact O-CG 3.31Å; D272-Q276 WeakPolarHBondContact O-CG 3.16Å; D272-Q276 PolarHBondContact O-N 3.27Å
273A92.1Very high85.4Confident53 Ų5370.1 Ų70.144%0.43838%0.381SS..Hα-helixtrans-61.4-41.9172.500000111.3E269 Q276 E277E269-A273 WeakPolarHBondContact O-CB 3.48Å; E269-A273 PolarHBondContact O-N 3.14Å; A273-Q276 PolarHBondContact O-N 2.95Å; A273-E277 PolarHBondContact O-N 3.48Å
274F90Very high83.3Confident28 Ų2872 Ų7212%0.12338%0.38CS..Hα-helixtrans-61.3-45.4176.3-178.7-100.2000111.7I208 P209 L212 L220 V270 I271 D272 E277 N278 W280 V281I208-F274 HydrophobicContact CB-CE1 4.45Å; I208-F274 HydrophobicContact CB-CZ 4.49Å; I208-F274 HydrophobicContact CG1-CE1 4.18Å; I208-F274 HydrophobicContact CG1-CZ 4.38Å; I208-F274 HydrophobicContact CG2-CE1 4.16Å; P209-F274 HydrophobicContact CG-CE2 4.17Å; L212-F274 HydrophobicContact CD1-CB 3.86Å; L212-F274 HydrophobicContact CD1-CD1 3.72Å; L212-F274 HydrophobicContact CD1-CD2 3.82Å; L212-F274 HydrophobicContact CD1-CE1 4.22Å; L212-F274 HydrophobicContact CD1-CE2 4.33Å; L212-F274 HydrophobicContact CD1-CG 3.51Å; L220-F274 HydrophobicContact CD1-CD1 4.31Å; V270-F274 WeakPolarHBondContact O-CB 3.44Å; V270-F274 PolarHBondContact O-N 3.23Å; I271-F274 WeakPolarHBondContact O-CB 3.43Å; I271-F274 PolarHBondContact O-N 2.93Å; D272-F274 VanDerWaalsContact C-N 3.31Å; D272-F274 PolarHBondContact O-N 3.5Å; F274-E277 PolarHBondContact O-N 2.77Å; F274-N278 WeakPolarHBondContact CD2-ND2 3.35Å; F274-N278 HydrophobicContact CE1-CB 4.39Å; F274-N278 WeakPolarHBondContact CE2-ND2 3.43Å; F274-N278 HydrophobicContact CZ-CB 4.31Å; F274-N278 WeakPolarHBondContact O-CB 3.4Å; F274-N278 PolarHBondContact O-N 2.92Å; F274-N278 PolarHBondContact O-ND2 3.2Å; F274-W280 HydrophobicContact CZ-CH2 4.26Å; F274-W280 HydrophobicContact CZ-CZ2 4.24Å; F274-V281 HydrophobicContact CD1-CG2 4.24Å; F274-V281 HydrophobicContact CE1-CG1 4.3Å; F274-V281 HydrophobicContact CE1-CG2 3.51Å; F274-V281 HydrophobicContact CZ-CG2 4.15Å
275I86.2Confident82.6Confident32 Ų3274.3 Ų74.316%0.16439%0.392CS..Hα-helixtrans-64-42.3177.6-66165.4000110.9L220 I271 D272 E277 N278 G279 E282L220-I275 HydrophobicContact CD2-CD1 3.83Å; L220-I275 HydrophobicContact CD2-CG1 3.73Å; I271-I275 HydrophobicContact CG2-CD1 3.82Å; I271-I275 HydrophobicContact CG2-CG1 4.32Å; I271-I275 VanDerWaalsContact O-CG1 3.31Å; I271-I275 WeakPolarHBondContact O-CG1 3.1Å; I271-I275 PolarHBondContact O-N 3.2Å; D272-I275 PolarHBondContact O-N 2.98Å; I275-E277 VanDerWaalsContact C-N 3.31Å; I275-E277 PolarHBondContact O-N 3.46Å; I275-N278 CarbonylContact O-C 3.14Å; I275-N278 PolarHBondContact O-N 2.97Å; I275-N278 VanDerWaalsContact O-N 3.14Å; I275-G279 PolarHBondContact O-N 2.94Å; I275-E282 HydrophobicContact CG2-CG 4.47Å
276Q85.5Confident81.9Confident168 Ų16871.8 Ų71.879%0.78538%0.379SS*.Hα-helixtrans-61.3-39.5178.3-75.717610.400112.5D272 A273D272-Q276 VanDerWaalsContact O-CG 3.31Å; D272-Q276 WeakPolarHBondContact O-CG 3.16Å; D272-Q276 PolarHBondContact O-N 3.27Å; A273-Q276 PolarHBondContact O-N 2.95Å
277E83.5Confident81.1Confident156 Ų15672.4 Ų72.473%0.72937%0.372SS*.Hα-helixtrans-77.3-26.1176.3-170.2171.9-167.400112.2A273 F274 I275A273-E277 PolarHBondContact O-N 3.48Å; F274-E277 PolarHBondContact O-N 2.77Å; I275-E277 VanDerWaalsContact C-N 3.31Å; I275-E277 PolarHBondContact O-N 3.46Å
278N79.6Confident80.3Confident29 Ų2974.5 Ų74.516%0.15538%0.383CS..  trans-124.767.1-172.4-60.7-81.5000111.4F274 I275 W280 V281F274-N278 WeakPolarHBondContact CD2-ND2 3.35Å; F274-N278 HydrophobicContact CE1-CB 4.39Å; F274-N278 WeakPolarHBondContact CE2-ND2 3.43Å; F274-N278 HydrophobicContact CZ-CB 4.31Å; F274-N278 WeakPolarHBondContact O-CB 3.4Å; F274-N278 PolarHBondContact O-N 2.92Å; F274-N278 PolarHBondContact O-ND2 3.2Å; I275-N278 CarbonylContact O-C 3.14Å; I275-N278 PolarHBondContact O-N 2.97Å; I275-N278 VanDerWaalsContact O-N 3.14Å; N278-W280 HydrophobicContact CB-CD2 4.45Å; N278-W280 HydrophobicContact CB-CZ2 3.87Å; N278-W280 PolarHBondContact O-N 2.96Å; N278-W280 PolarHBondContact OD1-NE1 3.44Å; N278-W280 VanDerWaalsContact OD1-NE1 3.16Å; N278-V281 HydrophobicContact CB-CG2 3.57Å; N278-V281 VanDerWaalsContact O-CB 3.3Å; N278-V281 WeakPolarHBondContact O-CB 3.26Å; N278-V281 WeakPolarHBondContact O-CG2 3.42Å; N278-V281 PolarHBondContact O-N 2.8Å
279G66.8Low79.4Confident49 Ų4974.9 Ų74.951%0.50539%0.388SS..G310 helixtrans-58.4-17.3-179.300000115.1I275 V281I275-G279 PolarHBondContact O-N 2.94Å; G279-V281 PolarHBondContact O-N 2.9Å
280W71.2Confident78.3Confident32 Ų3270.5 Ų70.512%0.12137%0.37CS..G310 helixtrans-68.9-13.1173.257.6-96.5000113.8R206 I208 F274 N278 E282 D283 Y284R206-W280 HydrophobicContact CB-CD2 3.66Å; R206-W280 HydrophobicContact CB-CE3 3.72Å; R206-W280 HydrophobicContact CB-CG 4.42Å; R206-W280 HydrophobicContact CB-CH2 3.74Å; R206-W280 HydrophobicContact CB-CZ2 3.66Å; R206-W280 HydrophobicContact CB-CZ3 3.75Å; R206-W280 HydrophobicContact CG-CD2 3.63Å; R206-W280 HydrophobicContact CG-CE3 4.16Å; R206-W280 HydrophobicContact CG-CG 3.87Å; R206-W280 HydrophobicContact CG-CZ2 4.16Å; I208-W280 HydrophobicContact CD1-CZ3 4.45Å; I208-W280 HydrophobicContact CG1-CH2 3.8Å; I208-W280 HydrophobicContact CG1-CZ3 3.89Å; F274-W280 HydrophobicContact CZ-CH2 4.26Å; F274-W280 HydrophobicContact CZ-CZ2 4.24Å; N278-W280 HydrophobicContact CB-CD2 4.45Å; N278-W280 HydrophobicContact CB-CZ2 3.87Å; N278-W280 PolarHBondContact O-N 2.96Å; N278-W280 PolarHBondContact OD1-NE1 3.44Å; N278-W280 VanDerWaalsContact OD1-NE1 3.16Å; W280-E282 PolarHBondContact O-N 3.21Å; W280-D283 PolarHBondContact O-N 3.42Å; W280-Y284 HydrophobicContact CZ3-CD2 4.17Å
281V72.8Confident77.1Confident3 Ų370.6 Ų70.62%0.01837%0.367CS..G310 helixtrans-73.3-18.9-177.8-179.50000111.9I208 L220 F274 N278 G279 D283 Y284I208-V281 HydrophobicContact CD1-CG1 3.84Å; I208-V281 HydrophobicContact CG1-CG1 4.38Å; I208-V281 HydrophobicContact CG1-CG2 4.43Å; L220-V281 HydrophobicContact CD2-CG1 3.51Å; L220-V281 HydrophobicContact CG-CG1 4.5Å; F274-V281 HydrophobicContact CD1-CG2 4.24Å; F274-V281 HydrophobicContact CE1-CG1 4.3Å; F274-V281 HydrophobicContact CE1-CG2 3.51Å; F274-V281 HydrophobicContact CZ-CG2 4.15Å; N278-V281 HydrophobicContact CB-CG2 3.57Å; N278-V281 VanDerWaalsContact O-CB 3.3Å; N278-V281 WeakPolarHBondContact O-CB 3.26Å; N278-V281 WeakPolarHBondContact O-CG2 3.42Å; N278-V281 PolarHBondContact O-N 2.8Å; G279-V281 PolarHBondContact O-N 2.9Å; V281-D283 PolarHBondContact O-N 2.91Å; V281-Y284 PolarHBondContact O-N 3.02Å
282E61.5Low76Confident136 Ų13675.9 Ų75.964%0.63640%0.395SS*.G310 helixtrans-71.3-21.7172.3-62.9-169.5159.900112.7I275 W280I275-E282 HydrophobicContact CG2-CG 4.47Å; W280-E282 PolarHBondContact O-N 3.21Å
283D54.2Low74.8Confident138 Ų13877.6 Ų77.674%0.73840%0.403SS*.G310 helixtrans-92.7-3178.5-62.5-40000113.5W280 V281W280-D283 PolarHBondContact O-N 3.42Å; V281-D283 PolarHBondContact O-N 2.91Å
284Y54.4Low73.2Confident107 Ų10779.8 Ų79.842%0.4240%0.399SS..  trans-92.60-176.7-160.8-82.6000112.4W132 I208 W280 V281W132-Y284 HydrophobicContact CB-CE2 4.11Å; W132-Y284 AromaticContact CD2-CD2 3.93Å; W132-Y284 HydrophobicContact CD2-CD2 3.93Å; W132-Y284 AromaticContact CD2-CE2 3.45Å; W132-Y284 HydrophobicContact CD2-CE2 3.45Å; W132-Y284 VanDerWaalsContact CD2-CE2 3.45Å; W132-Y284 AromaticContact CE2-CE2 3.87Å; W132-Y284 AromaticContact CE3-CD2 3.91Å; W132-Y284 HydrophobicContact CE3-CD2 3.91Å; W132-Y284 AromaticContact CE3-CE2 3.7Å; W132-Y284 HydrophobicContact CE3-CE2 3.7Å; W132-Y284 AromaticContact CG-CE2 3.62Å; W132-Y284 HydrophobicContact CG-CE2 3.62Å; W132-Y284 HydrophobicContact CH2-CD2 4.17Å; W132-Y284 HydrophobicContact CZ2-CD2 4.2Å; W132-Y284 HydrophobicContact CZ2-CE2 4.47Å; W132-Y284 HydrophobicContact CZ3-CD2 4.03Å; W132-Y284 HydrophobicContact CZ3-CE2 4.3Å; I208-Y284 HydrophobicContact CD1-CD1 3.67Å; I208-Y284 HydrophobicContact CD1-CE1 4.1Å; I208-Y284 HydrophobicContact CD1-CG 3.91Å; W280-Y284 HydrophobicContact CZ3-CD2 4.17Å; V281-Y284 PolarHBondContact O-N 3.02Å

Retrieved 284 of 284 residues in 94.3 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).