A0A096LPN1_POEFO Loading...

Tubulin alpha chain

Tubulin is the major constituent of microtubules, a cylinder consisting of laterally associated linear protofilaments composed of alpha- and beta-tubulin heterodimers. Microtubules grow by the addition of GTP-tubulin dimers to the microtubule end, where a stabilizing cap forms. Below the cap, tubulin dimers are in GDP-bound state, owing to GTPase activity of alpha-tubulin.

AlphaFold DB , UniProt , Accession A0A096LPN1, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 452 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1Q57.4Low88Confident105 Ų10529.6 Ų29.649%0.49113%0.13SC..  0156.60-71.6171.7-1500107.7E3 R46 T131Q1-E3 HydrophobicContact CB-CG 4.36Å; Q1-E3 WeakPolarHBondContact CB-OE2 3.47Å; Q1-E3 PolarHBondContact OE1-OE1 3.1Å; Q1-R46 PolarHBondContact NE2-O 3.35Å; Q1-T131 PolarHBondContact OE1-OG1 3.42Å
2R75.4Confident88.1Confident118 Ų11829.4 Ų29.445%0.44514%0.138SC..  trans-117.963.4-174-76.3179.1170.6179.9-0.1108.7T52 Q134 D252R2-T52 HydrophobicContact CB-CG2 4.08Å; R2-T52 WeakPolarHBondContact O-CB 3.21Å; R2-T52 WeakPolarHBondContact O-CG2 3.5Å; R2-Q134 VanDerWaalsContact CB-CD 3.47Å; R2-Q134 HydrophobicContact CB-CG 3.86Å; R2-Q134 HydrophobicContact CG-CG 4.2Å; R2-D252 WeakPolarHBondContact CD-OD1 3.35Å; R2-D252 IonicContact CZ-OD1 2.79Å; R2-D252 IonicContact CZ-OD2 3.19Å; R2-D252 IonicContact NE-OD1 3.78Å; R2-D252 PolarHBondContact NE-OD1 3.38Å; R2-D252 IonicContact NE-OD2 3.68Å; R2-D252 PolarHBondContact NE-OD2 3.3Å; R2-D252 VanDerWaalsContact NH1-CG 3.26Å; R2-D252 IonicContact NH1-OD1 3.72Å; R2-D252 PolarHBondContact NH1-OD1 3.44Å; R2-D252 IonicContact NH1-OD2 3.69Å; R2-D252 PolarHBondContact NH1-OD2 3.44Å; R2-D252 IonicContact NH2-OD1 2.79Å; R2-D252 IonicContact NH2-OD2 3.02Å; R2-D252 PolarHBondContact NH2-OD2 2.87Å
3E86.7Confident88.4Confident0 Ų027.2 Ų27.20%013%0.128CC..EExtended strand (participates in β ladder)trans-72.7140-172.5-58.796136.800111.9Q1 T52 C130 T131 G132 L133 Q134Q1-E3 HydrophobicContact CB-CG 4.36Å; Q1-E3 WeakPolarHBondContact CB-OE2 3.47Å; Q1-E3 PolarHBondContact OE1-OE1 3.1Å; E3-T52 WeakPolarHBondContact CA-O 3.31Å; E3-C130 HydrophobicContact CB-CB 4.07Å; E3-C130 HydrophobicContact CG-CB 4.29Å; E3-T131 PolarHBondContact OE1-N 3.05Å; E3-T131 PolarHBondContact OE1-OG1 3.46Å; E3-G132 PolarHBondContact N-O 3.15Å; E3-G132 PolarHBondContact OE1-N 3.04Å; E3-G132 VanDerWaalsContact OE2-CA 3.3Å; E3-G132 WeakPolarHBondContact OE2-CA 3.35Å; E3-G132 PolarHBondContact OE2-N 3.27Å; E3-G132 VanDerWaalsContact OE2-O 3.08Å; E3-L133 WeakPolarHBondContact O-CA 2.96Å; E3-Q134 PolarHBondContact O-N 2.64Å
4C89.2Confident88.7Confident0 Ų025.4 Ų25.40%012%0.119CC..EExtended strand (participates in β ladder)trans-124.2139.5175.9-64.20000109.3T52 F53C4-T52 PolarHBondContact N-O 3.45Å; C4-F53 HydrophobicContact CB-CE2 4.14Å; C4-F53 HydrophobicContact CB-CZ 4.16Å
5I92.9Very high88.9Confident0 Ų026.6 Ų26.60%013%0.125CC..EExtended strand (participates in β ladder)trans-108125.5175.2-63.2172.5000108.2I7 M126 T127 L133 G135 F136 L137I5-I7 HydrophobicContact CG2-CG1 4.23Å; I5-M126 HydrophobicContact CD1-CB 3.9Å; I5-M126 HydrophobicContact CG2-CE 3.77Å; I5-M126 HydrophobicContact CG2-SD 4.47Å; I5-T127 HydrophobicContact CD1-CG2 3.59Å; I5-L133 HydrophobicContact CB-CD1 4.48Å; I5-L133 HydrophobicContact CD1-CD1 3.74Å; I5-L133 HydrophobicContact CG1-CD1 3.76Å; I5-G135 PolarHBondContact N-O 3.13Å; I5-F136 HydrophobicContact CB-CD1 3.97Å; I5-F136 HydrophobicContact CB-CE1 4.28Å; I5-F136 HydrophobicContact CD1-CE1 4.1Å; I5-F136 HydrophobicContact CG2-CD1 4.3Å; I5-F136 CarbonylContact O-C 3.43Å; I5-F136 WeakPolarHBondContact O-CA 3.49Å; I5-L137 PolarHBondContact O-N 2.77Å
6S94.5Very high89.1Confident1 Ų125.3 Ų25.31%0.00712%0.12CC..EExtended strand (participates in β ladder)trans-95.8127.7174.8-55.10000110.3H8 R65 A66 L67 L137S6-H8 WeakPolarHBondContact CB-NE2 3.5Å; S6-R65 PolarHBondContact N-O 3.1Å; S6-A66 CarbonylContact O-C 3.54Å; S6-A66 VanDerWaalsContact O-CA 3.23Å; S6-A66 WeakPolarHBondContact O-CA 3.32Å; S6-L67 PolarHBondContact O-N 3.41Å; S6-L137 CarbonylContact C-O 3.57Å; S6-L137 WeakPolarHBondContact CA-O 3.28Å
7I96.3Very high89.2Confident0 Ų023.8 Ų23.80%011%0.113CC..EExtended strand (participates in β ladder)trans-116.6123.3178.3-51.9175.3000107.7I5 V9 L67 I123 F136 L137 V138 F139 L154 L158I5-I7 HydrophobicContact CG2-CG1 4.23Å; I7-V9 HydrophobicContact CG2-CG2 3.94Å; I7-L67 CarbonylContact C-O 3.59Å; I7-L67 WeakPolarHBondContact CA-O 3.49Å; I7-L67 HydrophobicContact CG2-CB 4.46Å; I7-L67 HydrophobicContact CG2-CD2 4.47Å; I7-I123 HydrophobicContact CD1-CD1 3.71Å; I7-I123 HydrophobicContact CD1-CG1 4.34Å; I7-F136 HydrophobicContact CD1-CB 4.46Å; I7-F136 HydrophobicContact CD1-CD1 3.93Å; I7-F136 HydrophobicContact CD1-CG 4.47Å; I7-L137 PolarHBondContact N-O 2.76Å; I7-V138 CarbonylContact O-C 3.59Å; I7-V138 WeakPolarHBondContact O-CA 3.5Å; I7-F139 PolarHBondContact O-N 3.33Å; I7-L154 HydrophobicContact CD1-CD2 4.28Å; I7-L154 HydrophobicContact CG2-CD2 3.81Å; I7-L158 HydrophobicContact CD1-CD1 3.92Å
8H96.4Very high89.4Confident1 Ų125.6 Ų25.61%0.00512%0.123CC..EExtended strand (participates in β ladder)trans-113116-177.4-59.7-81.1000108.4S6 G13 G17 W21 L67 F68 V69 F139S6-H8 WeakPolarHBondContact CB-NE2 3.5Å; H8-G13 PolarHBondContact ND1-O 3.14Å; H8-G17 WeakPolarHBondContact CE1-CA 3.46Å; H8-G17 WeakPolarHBondContact ND1-CA 3.27Å; H8-W21 AromaticContact NE2-CD1 3.98Å; H8-W21 AromaticContact NE2-NE1 3.33Å; H8-W21 PolarHBondContact NE2-NE1 2.75Å; H8-L67 PolarHBondContact N-O 3.33Å; H8-F68 HydrophobicContact CB-CD1 3.56Å; H8-F68 HydrophobicContact CB-CE1 3.87Å; H8-F68 HydrophobicContact CB-CG 4.25Å; H8-F68 AromaticContact CD2-CE1 3.73Å; H8-F68 AromaticContact CD2-CZ 3.83Å; H8-F68 AromaticContact CG-CD1 3.91Å; H8-F68 AromaticContact CG-CE1 3.71Å; H8-V69 PolarHBondContact O-N 3.28Å; H8-F139 AromaticContact CE1-CD2 3.18Å; H8-F139 WeakPolarHBondContact CE1-CD2 3.4Å; H8-F139 AromaticContact CE1-CE2 3.53Å; H8-F139 AromaticContact CE1-CG 3.64Å; H8-F139 AromaticContact ND1-CD2 3.39Å; H8-F139 WeakPolarHBondContact ND1-CD2 3.23Å; H8-F139 AromaticContact ND1-CG 3.49Å; H8-F139 WeakPolarHBondContact ND1-CG 3.29Å; H8-F139 AromaticContact NE2-CD2 3.99Å
9V95.4Very high89.4Confident0 Ų024.9 Ų24.90%012%0.122CC..EExtended strand (participates in β ladder)trans-116.5125.7-171.7-178.30000111.3I7 V69 F139 H140 T146 F150 T151 L154I7-V9 HydrophobicContact CG2-CG2 3.94Å; V9-V69 WeakPolarHBondContact CA-O 3.23Å; V9-F139 PolarHBondContact N-O 2.84Å; V9-H140 HydrophobicContact CB-CB 4.33Å; V9-T146 HydrophobicContact CG1-CG2 4.04Å; V9-F150 HydrophobicContact CG1-CB 4.37Å; V9-F150 HydrophobicContact CG1-CD1 3.7Å; V9-F150 HydrophobicContact CG2-CD1 4.48Å; V9-T151 WeakPolarHBondContact CG1-OG1 3.42Å; V9-L154 HydrophobicContact CG2-CD2 4.22Å
10G92.6Very high89.6Confident2 Ų223.7 Ų23.72%0.02112%0.116CC..Hα-helixtrans69.6175.1178.900000113.6A12 G13 V14 V69G10-A12 PolarHBondContact O-N 2.8Å; G10-G13 PolarHBondContact O-N 3.11Å; G10-G13 VanDerWaalsContact O-N 3.13Å; G10-V14 VanDerWaalsContact O-CG2 3.28Å; G10-V14 WeakPolarHBondContact O-CG2 3.3Å; G10-V14 PolarHBondContact O-N 3.01Å; G10-V69 PolarHBondContact N-O 3.47Å
11Q90.9Very high89.7Confident99 Ų9922.7 Ų22.746%0.46311%0.111SC..Hα-helixtrans-48.5-51.8-176.1175.7172.8-6.900114.1G13 V14 Q15 D70 V75Q11-G13 PolarHBondContact O-N 3.3Å; Q11-V14 PolarHBondContact O-N 3.35Å; Q11-Q15 HydrophobicContact CG-CG 4.48Å; Q11-Q15 WeakPolarHBondContact O-CB 3.27Å; Q11-Q15 VanDerWaalsContact O-CG 3.29Å; Q11-Q15 WeakPolarHBondContact O-CG 3.39Å; Q11-Q15 PolarHBondContact O-N 2.91Å; Q11-D70 PolarHBondContact N-OD2 3.4Å; Q11-V75 HydrophobicContact CB-CG2 3.9Å; Q11-V75 HydrophobicContact CG-CG1 4.46Å; Q11-V75 HydrophobicContact CG-CG2 3.72Å
12A89.5Confident91.3Very high27 Ų2719.5 Ų19.522%0.22310%0.096CC..Hα-helixtrans-64.4-42-177.700000112.3G10 T16G10-A12 PolarHBondContact O-N 2.8Å; A12-T16 VanDerWaalsContact O-CB 3.28Å; A12-T16 WeakPolarHBondContact O-CB 3.42Å; A12-T16 PolarHBondContact O-N 2.83Å; A12-T16 PolarHBondContact O-OG1 3.42Å
13G91.7Very high92Very high1 Ų113.9 Ų13.91%0.018%0.075CC..Hα-helixtrans-63.7-47.2176.800000111.4H8 G10 Q11 T16 G17H8-G13 PolarHBondContact ND1-O 3.14Å; G10-G13 PolarHBondContact O-N 3.11Å; G10-G13 VanDerWaalsContact O-N 3.13Å; Q11-G13 PolarHBondContact O-N 3.3Å; G13-T16 PolarHBondContact O-N 3.15Å; G13-G17 PolarHBondContact O-N 2.96Å
14V93Very high92.1Very high1 Ų114 Ų141%0.0068%0.076CC..Hα-helixtrans-63.2-45.9-179.9175.20000111.6G10 Q11 G17 N18 F68 V75 I76 V79G10-V14 VanDerWaalsContact O-CG2 3.28Å; G10-V14 WeakPolarHBondContact O-CG2 3.3Å; G10-V14 PolarHBondContact O-N 3.01Å; Q11-V14 PolarHBondContact O-N 3.35Å; V14-G17 PolarHBondContact O-N 3.47Å; V14-N18 PolarHBondContact O-N 2.86Å; V14-F68 HydrophobicContact CB-CD1 4.14Å; V14-F68 HydrophobicContact CG1-CD1 3.82Å; V14-F68 HydrophobicContact CG1-CE1 4.4Å; V14-F68 HydrophobicContact CG2-CB 4.37Å; V14-F68 HydrophobicContact CG2-CD1 4.06Å; V14-V75 HydrophobicContact CB-CG1 3.93Å; V14-V75 HydrophobicContact CG1-CG1 3.65Å; V14-I76 HydrophobicContact CG2-CG1 4.41Å; V14-V79 HydrophobicContact CG1-CG2 3.89Å
15Q91.8Very high92.1Very high44 Ų4414 Ų1421%0.2068%0.076CC..Hα-helixtrans-67.6-40.7179.9-69.4-177.4-12.700112.4Q11 G17 N18 A19 V75 N229Q11-Q15 HydrophobicContact CG-CG 4.48Å; Q11-Q15 WeakPolarHBondContact O-CB 3.27Å; Q11-Q15 VanDerWaalsContact O-CG 3.29Å; Q11-Q15 WeakPolarHBondContact O-CG 3.39Å; Q11-Q15 PolarHBondContact O-N 2.91Å; Q15-G17 VanDerWaalsContact C-N 3.34Å; Q15-N18 PolarHBondContact O-N 3.29Å; Q15-A19 PolarHBondContact O-N 2.98Å; Q15-V75 HydrophobicContact CG-CG1 3.82Å; Q15-N229 WeakPolarHBondContact CB-ND2 3.3Å
16T91.2Very high91.8Very high6 Ų616.6 Ų16.64%0.0379%0.089CC..Hα-helixtrans-62.8-45173.2-57.90000110.3A12 G13 N18 A19 C20 F139 I232A12-T16 VanDerWaalsContact O-CB 3.28Å; A12-T16 WeakPolarHBondContact O-CB 3.42Å; A12-T16 PolarHBondContact O-N 2.83Å; A12-T16 PolarHBondContact O-OG1 3.42Å; G13-T16 PolarHBondContact O-N 3.15Å; T16-N18 VanDerWaalsContact C-N 3.33Å; T16-N18 PolarHBondContact O-N 2.91Å; T16-A19 PolarHBondContact O-N 3.37Å; T16-C20 PolarHBondContact O-N 2.86Å; T16-C20 PolarHBondContact O-SG 3.37Å; T16-F139 HydrophobicContact CG2-CD1 4.34Å; T16-I232 HydrophobicContact CG2-CB 4.25Å; T16-I232 HydrophobicContact CG2-CG2 3.5Å; T16-I232 VanDerWaalsContact CG2-CG2 3.5Å
17G91.6Very high91.4Very high0 Ų017.4 Ų17.40%09%0.093CC..Hα-helixtrans-57.9-42.9176.900000113H8 G13 V14 Q15 A19 C20 W21H8-G17 WeakPolarHBondContact CE1-CA 3.46Å; H8-G17 WeakPolarHBondContact ND1-CA 3.27Å; G13-G17 PolarHBondContact O-N 2.96Å; V14-G17 PolarHBondContact O-N 3.47Å; Q15-G17 VanDerWaalsContact C-N 3.34Å; G17-A19 VanDerWaalsContact C-N 3.35Å; G17-A19 PolarHBondContact O-N 3.16Å; G17-C20 PolarHBondContact O-N 3.49Å; G17-W21 PolarHBondContact O-N 2.96Å
18N91.9Very high90.8Very high55 Ų5518.7 Ų18.729%0.29410%0.099SC..Hα-helixtrans-60.6-44.3177.3-165.415.9000111.5V14 Q15 T16 W21 E22V14-N18 PolarHBondContact O-N 2.86Å; Q15-N18 PolarHBondContact O-N 3.29Å; T16-N18 VanDerWaalsContact C-N 3.33Å; T16-N18 PolarHBondContact O-N 2.91Å; N18-W21 PolarHBondContact O-N 3.24Å; N18-E22 WeakPolarHBondContact O-CB 3.41Å; N18-E22 PolarHBondContact O-N 3.34Å
19A91Very high90.2Very high13 Ų1319.8 Ų19.811%0.10711%0.11CC..Hα-helixtrans-65.6-39.5175.600000112.6Q15 T16 G17 L23 N229Q15-A19 PolarHBondContact O-N 2.98Å; T16-A19 PolarHBondContact O-N 3.37Å; G17-A19 VanDerWaalsContact C-N 3.35Å; G17-A19 PolarHBondContact O-N 3.16Å; A19-L23 PolarHBondContact O-N 3.39Å; A19-L23 VanDerWaalsContact O-N 3.16Å; A19-N229 HydrophobicContact CB-CB 4.04Å
20C92.1Very high89.6Confident1 Ų120 Ų201%0.00711%0.111CC..Hα-helixtrans-62.7-47.8175.7-69.30000112T16 G17 L23 F24T16-C20 PolarHBondContact O-N 2.86Å; T16-C20 PolarHBondContact O-SG 3.37Å; G17-C20 PolarHBondContact O-N 3.49Å; C20-L23 PolarHBondContact O-N 2.82Å; C20-F24 HydrophobicContact CB-CE2 4.35Å; C20-F24 HydrophobicContact CB-CZ 4.31Å; C20-F24 WeakPolarHBondContact O-CD1 3.29Å; C20-F24 WeakPolarHBondContact O-CG 3.33Å; C20-F24 PolarHBondContact O-N 3.3Å
21W91.4Very high89.2Confident2 Ų220 Ų201%0.00811%0.112CC..Hα-helixtrans-71.6-33.9-178.8-75.7108.7000112.8H8 G17 N18 L23 F24 C25 F53 F54 P64 A66 F68 F88H8-W21 AromaticContact NE2-CD1 3.98Å; H8-W21 AromaticContact NE2-NE1 3.33Å; H8-W21 PolarHBondContact NE2-NE1 2.75Å; G17-W21 PolarHBondContact O-N 2.96Å; N18-W21 PolarHBondContact O-N 3.24Å; W21-L23 VanDerWaalsContact C-N 3.28Å; W21-L23 PolarHBondContact O-N 3.24Å; W21-F24 HydrophobicContact CD2-CD2 4Å; W21-F24 HydrophobicContact CE3-CB 4.24Å; W21-F24 AromaticContact CE3-CD2 3.7Å; W21-F24 HydrophobicContact CE3-CD2 3.7Å; W21-F24 HydrophobicContact CE3-CG 4.48Å; W21-F24 HydrophobicContact CH2-CD2 4.43Å; W21-F24 AromaticContact CZ3-CD2 3.93Å; W21-F24 HydrophobicContact CZ3-CD2 3.93Å; W21-F24 PolarHBondContact O-N 3.38Å; W21-C25 WeakPolarHBondContact O-CB 3.41Å; W21-C25 PolarHBondContact O-N 3.22Å; W21-C25 PolarHBondContact O-SG 2.88Å; W21-C25 VanDerWaalsContact O-SG 3.33Å; W21-F53 HydrophobicContact CH2-CB 3.99Å; W21-F53 AromaticContact CH2-CD1 3.82Å; W21-F53 HydrophobicContact CH2-CD1 3.82Å; W21-F53 HydrophobicContact CH2-CG 4.4Å; W21-F53 HydrophobicContact CZ2-CD1 4.37Å; W21-F53 HydrophobicContact CZ3-CB 4.23Å; W21-F53 HydrophobicContact CZ3-CD1 4.46Å; W21-F54 HydrophobicContact CE3-CE1 4.32Å; W21-F54 HydrophobicContact CE3-CZ 4.05Å; W21-F54 HydrophobicContact CZ3-CE1 4.03Å; W21-F54 HydrophobicContact CZ3-CE2 4.12Å; W21-F54 AromaticContact CZ3-CZ 3.78Å; W21-F54 HydrophobicContact CZ3-CZ 3.78Å; W21-P64 HydrophobicContact CD2-CB 3.99Å; W21-P64 HydrophobicContact CD2-CG 4.32Å; W21-P64 HydrophobicContact CE3-CB 3.74Å; W21-P64 HydrophobicContact CE3-CG 3.89Å; W21-P64 HydrophobicContact CH2-CB 3.67Å; W21-P64 HydrophobicContact CZ2-CB 3.93Å; W21-P64 HydrophobicContact CZ3-CB 3.57Å; W21-P64 HydrophobicContact CZ3-CG 4.06Å; W21-A66 HydrophobicContact CZ2-CB 3.61Å; W21-F68 AromaticContact CD1-CZ 3.74Å; W21-F88 HydrophobicContact CB-CE1 4.48Å; W21-F88 HydrophobicContact CB-CZ 3.93Å; W21-F88 HydrophobicContact CD2-CE1 4.41Å; W21-F88 HydrophobicContact CG-CE1 4.08Å; W21-F88 AromaticContact CG-CZ 3.98Å; W21-F88 HydrophobicContact CG-CZ 3.98Å
22E91.2Very high88.8Confident38 Ų3817 Ų1718%0.17810%0.101CC..Hα-helixtrans-54.9-48168.3170.6166.8-131.800110.4N18 C25 L26 Y84 V364N18-E22 WeakPolarHBondContact O-CB 3.41Å; N18-E22 PolarHBondContact O-N 3.34Å; E22-C25 PolarHBondContact O-N 2.92Å; E22-L26 HydrophobicContact CG-CD1 4.2Å; E22-L26 VanDerWaalsContact O-CG 3.31Å; E22-L26 WeakPolarHBondContact O-CG 3.43Å; E22-L26 PolarHBondContact O-N 3.48Å; E22-L26 VanDerWaalsContact O-N 3.1Å; E22-Y84 HydrophobicContact CB-CE2 3.76Å; E22-Y84 HydrophobicContact CG-CE2 3.84Å; E22-V364 HydrophobicContact CG-CG1 4.26Å
23L89.9Confident88.4Confident1 Ų120 Ų201%0.00511%0.113CC..Hα-helixtrans-66.5-42.3178.6-178.358.8000112.6A19 C20 W21 C25 L26 E27 G233 Q234 S237 T362 V364A19-L23 PolarHBondContact O-N 3.39Å; A19-L23 VanDerWaalsContact O-N 3.16Å; C20-L23 PolarHBondContact O-N 2.82Å; W21-L23 VanDerWaalsContact C-N 3.28Å; W21-L23 PolarHBondContact O-N 3.24Å; L23-C25 VanDerWaalsContact C-N 3.32Å; L23-C25 PolarHBondContact O-N 3.01Å; L23-L26 PolarHBondContact O-N 3.28Å; L23-E27 HydrophobicContact CD1-CG 4.18Å; L23-E27 HydrophobicContact CG-CG 4.41Å; L23-E27 WeakPolarHBondContact O-CG 3.42Å; L23-E27 PolarHBondContact O-N 3.47Å; L23-G233 WeakPolarHBondContact CD2-O 3.36Å; L23-Q234 HydrophobicContact CD2-CG 4.27Å; L23-S237 VanDerWaalsContact CD2-CB 3.49Å; L23-T362 VanDerWaalsContact CD1-O 3.27Å; L23-T362 WeakPolarHBondContact CD1-O 3.47Å; L23-V364 HydrophobicContact CB-CG2 4.47Å; L23-V364 HydrophobicContact CD1-CG2 4.11Å
24F90.1Very high87.7Confident3 Ų320 Ų201%0.01311%0.113CC..Hα-helixtrans-61.9-41.3177.2-63.3-15.3000111.7C20 W21 L26 E27 H28 F53 F54 V236C20-F24 HydrophobicContact CB-CE2 4.35Å; C20-F24 HydrophobicContact CB-CZ 4.31Å; C20-F24 WeakPolarHBondContact O-CD1 3.29Å; C20-F24 WeakPolarHBondContact O-CG 3.33Å; C20-F24 PolarHBondContact O-N 3.3Å; W21-F24 HydrophobicContact CD2-CD2 4Å; W21-F24 HydrophobicContact CE3-CB 4.24Å; W21-F24 AromaticContact CE3-CD2 3.7Å; W21-F24 HydrophobicContact CE3-CD2 3.7Å; W21-F24 HydrophobicContact CE3-CG 4.48Å; W21-F24 HydrophobicContact CH2-CD2 4.43Å; W21-F24 AromaticContact CZ3-CD2 3.93Å; W21-F24 HydrophobicContact CZ3-CD2 3.93Å; W21-F24 PolarHBondContact O-N 3.38Å; F24-L26 VanDerWaalsContact C-N 3.33Å; F24-L26 PolarHBondContact O-N 3.43Å; F24-E27 PolarHBondContact O-N 3.03Å; F24-H28 PolarHBondContact O-CD2 3.21Å; F24-H28 PolarHBondContact O-N 3.07Å; F24-F53 HydrophobicContact CD2-CD1 4.46Å; F24-F53 HydrophobicContact CE2-CD1 4.16Å; F24-F53 HydrophobicContact CE2-CE1 4.15Å; F24-F54 HydrophobicContact CB-CZ 4.49Å; F24-V236 HydrophobicContact CZ-CG1 4.23Å
25C88Confident87.1Confident0 Ų023.9 Ų23.90%014%0.137CC..Hα-helixtrans-60.2-43.7174.3-75.60000111.6W21 E22 L23 H28 G29 V30 Y84 L87W21-C25 WeakPolarHBondContact O-CB 3.41Å; W21-C25 PolarHBondContact O-N 3.22Å; W21-C25 PolarHBondContact O-SG 2.88Å; W21-C25 VanDerWaalsContact O-SG 3.33Å; E22-C25 PolarHBondContact O-N 2.92Å; L23-C25 VanDerWaalsContact C-N 3.32Å; L23-C25 PolarHBondContact O-N 3.01Å; C25-H28 PolarHBondContact O-N 3.37Å; C25-G29 PolarHBondContact O-N 3.41Å; C25-V30 HydrophobicContact CB-CB 4.32Å; C25-V30 WeakPolarHBondContact CB-O 3.49Å; C25-V30 PolarHBondContact O-N 3.47Å; C25-Y84 HydrophobicContact CB-CE1 4.14Å; C25-L87 WeakPolarHBondContact SG-CD2 3.45Å
26L87.9Confident86.3Confident53 Ų5325.1 Ų25.128%0.27714%0.141SC..Hα-helixtrans-66.7-40.9178.1-68.8169.3000112.8E22 L23 F24 H28 G29 T362 V364E22-L26 HydrophobicContact CG-CD1 4.2Å; E22-L26 VanDerWaalsContact O-CG 3.31Å; E22-L26 WeakPolarHBondContact O-CG 3.43Å; E22-L26 PolarHBondContact O-N 3.48Å; E22-L26 VanDerWaalsContact O-N 3.1Å; L23-L26 PolarHBondContact O-N 3.28Å; F24-L26 VanDerWaalsContact C-N 3.33Å; F24-L26 PolarHBondContact O-N 3.43Å; L26-H28 VanDerWaalsContact C-N 3.29Å; L26-H28 PolarHBondContact O-N 2.97Å; L26-G29 PolarHBondContact O-N 2.74Å; L26-T362 HydrophobicContact CB-CG2 4.14Å; L26-V364 HydrophobicContact CD1-CB 4.28Å; L26-V364 HydrophobicContact CD1-CG1 4.07Å; L26-V364 HydrophobicContact CD1-CG2 4.12Å
27E86.1Confident84.9Confident19 Ų1930.6 Ų30.69%0.08917%0.17CC..Hα-helixtrans-66.3-31.8178.2-74.3-171.8163.500113.1L23 F24 S237 R244 F245 R321 T362L23-E27 HydrophobicContact CD1-CG 4.18Å; L23-E27 HydrophobicContact CG-CG 4.41Å; L23-E27 WeakPolarHBondContact O-CG 3.42Å; L23-E27 PolarHBondContact O-N 3.47Å; F24-E27 PolarHBondContact O-N 3.03Å; E27-S237 PolarHBondContact OE1-OG 3.43Å; E27-S237 PolarHBondContact OE2-OG 3.12Å; E27-S237 VanDerWaalsContact OE2-OG 3.09Å; E27-R244 IonicContact OE2-CZ 3.58Å; E27-R244 IonicContact OE2-NH1 3.4Å; E27-R244 PolarHBondContact OE2-NH1 2.75Å; E27-R244 IonicContact OE2-NH2 2.88Å; E27-R244 PolarHBondContact OE2-NH2 3.38Å; E27-F245 HydrophobicContact CB-CZ 4.05Å; E27-R321 IonicContact OE1-CZ 3.38Å; E27-R321 IonicContact OE1-NH1 2.78Å; E27-R321 PolarHBondContact OE1-NH1 2.98Å; E27-R321 IonicContact OE1-NH2 3.24Å; E27-R321 PolarHBondContact OE1-NH2 3.49Å; E27-R321 IonicContact OE2-NH1 3.7Å; E27-T362 HydrophobicContact CG-CG2 4.48Å
28H83.6Confident83.2Confident27 Ų2737.9 Ų37.913%0.12521%0.209CC..Hα-helixtrans-96.4-0.7178.4-65.2-64.9000113.6F24 C25 L26 V30 F36 F50 F54 R244 F245F24-H28 PolarHBondContact O-CD2 3.21Å; F24-H28 PolarHBondContact O-N 3.07Å; C25-H28 PolarHBondContact O-N 3.37Å; L26-H28 VanDerWaalsContact C-N 3.29Å; L26-H28 PolarHBondContact O-N 2.97Å; H28-V30 VanDerWaalsContact C-N 3.3Å; H28-V30 HydrophobicContact CB-CG2 4.04Å; H28-V30 PolarHBondContact O-N 2.72Å; H28-F36 VanDerWaalsContact O-CE1 3.26Å; H28-F36 WeakPolarHBondContact O-CE1 3.34Å; H28-F50 HydrophobicContact CB-CD2 3.8Å; H28-F50 HydrophobicContact CB-CE2 3.49Å; H28-F50 VanDerWaalsContact CB-CE2 3.49Å; H28-F50 AromaticContact CD2-CD2 3.93Å; H28-F50 AromaticContact CE1-CD2 3.94Å; H28-F50 AromaticContact CG-CD2 3.48Å; H28-F50 VanDerWaalsContact CG-CD2 3.48Å; H28-F50 AromaticContact CG-CE2 3.62Å; H28-F50 AromaticContact ND1-CD2 3.51Å; H28-F54 AromaticContact CD2-CE2 3.88Å; H28-R244 PolarHBondContact NE2-NH1 2.93Å; H28-F245 AromaticContact CE1-CE1 3.24Å; H28-F245 WeakPolarHBondContact CE1-CE1 3.41Å; H28-F245 AromaticContact CE1-CZ 3.28Å; H28-F245 WeakPolarHBondContact CE1-CZ 3.39Å; H28-F245 AromaticContact ND1-CE1 3.45Å; H28-F245 WeakPolarHBondContact ND1-CE1 3.44Å; H28-F245 AromaticContact ND1-CZ 3.65Å; H28-F245 AromaticContact NE2-CZ 3.88Å
29G82.7Confident80.8Confident24 Ų2436.9 Ų36.925%0.24721%0.212CC..THydrogen-bonded Turntrans67.827.2-178.300000114.1C25 L26 L37C25-G29 PolarHBondContact O-N 3.41Å; L26-G29 PolarHBondContact O-N 2.74Å; G29-L37 PolarHBondContact O-N 3.41Å
30V84Confident78.4Confident3 Ų342.5 Ų42.52%0.01825%0.247CC..BIsolated β-bridgetrans-88.7123.8177-176.30000109.1C25 H28 F36 F50C25-V30 HydrophobicContact CB-CB 4.32Å; C25-V30 WeakPolarHBondContact CB-O 3.49Å; C25-V30 PolarHBondContact O-N 3.47Å; H28-V30 VanDerWaalsContact C-N 3.3Å; H28-V30 HydrophobicContact CB-CG2 4.04Å; H28-V30 PolarHBondContact O-N 2.72Å; V30-F36 HydrophobicContact CG2-CD1 4.11Å; V30-F36 HydrophobicContact CG2-CE1 3.83Å; V30-F36 HydrophobicContact CG2-CZ 4.43Å; V30-F50 HydrophobicContact CG2-CE2 3.88Å; V30-F50 HydrophobicContact CG2-CZ 3.73Å
31G83Confident76.2Confident4 Ų448 Ų484%0.04128%0.28CS..  trans-68.6165.217500000112.4D33 G34 V35G31-D33 PolarHBondContact O-N 2.92Å; G31-D33 VanDerWaalsContact O-N 3.09Å; G31-G34 PolarHBondContact O-N 3Å; G31-V35 WeakPolarHBondContact CA-O 3.18Å; G31-V35 PolarHBondContact N-O 3.46Å
32P83.5Confident73.7Confident34 Ų3450.7 Ų50.722%0.22130%0.303CS..THydrogen-bonded Turntrans-58.6-24.5179.5-23.534.4000114.6G34 K83 Y84P32-G34 PolarHBondContact O-N 3.1Å; P32-K83 HydrophobicContact CB-CG 4.32Å; P32-K83 WeakPolarHBondContact CB-O 3.48Å; P32-K83 HydrophobicContact CG-CG 4.27Å; P32-Y84 HydrophobicContact CB-CD1 3.97Å; P32-Y84 HydrophobicContact CB-CE1 4.02Å; P32-Y84 HydrophobicContact CG-CE1 4.18Å
33D80.3Confident71.3Confident91 Ų9153.1 Ų53.149%0.48732%0.322SS..THydrogen-bonded Turntrans-84.11.1179.2-49.7-28.1000112.6G31G31-D33 PolarHBondContact O-N 2.92Å; G31-D33 VanDerWaalsContact O-N 3.09Å
34G77.4Confident68.9Low0 Ų060 Ų600%036%0.359CS..SBendtrans79.813.6-179.100000114.6G31 P32 R61 H62G31-G34 PolarHBondContact O-N 3Å; P32-G34 PolarHBondContact O-N 3.1Å; G34-R61 CarbonylContact O-C 3.59Å; G34-R61 WeakPolarHBondContact O-CA 3.49Å; G34-H62 PolarHBondContact O-N 3.3Å
35V81.4Confident66.5Low84 Ų8463 Ų6351%0.50938%0.379SS..SBendtrans-106143.4176.2-174.40000109.7G31G31-V35 WeakPolarHBondContact CA-O 3.18Å; G31-V35 PolarHBondContact N-O 3.46Å
36F74.6Confident64.3Low69 Ų6973.7 Ų73.730%0.30342%0.42SS..BIsolated β-bridgetrans-62.2137.5175.5-77.3-71000112.4H28 V30 F50 H62H28-F36 VanDerWaalsContact O-CE1 3.26Å; H28-F36 WeakPolarHBondContact O-CE1 3.34Å; V30-F36 HydrophobicContact CG2-CD1 4.11Å; V30-F36 HydrophobicContact CG2-CE1 3.83Å; V30-F36 HydrophobicContact CG2-CZ 4.43Å; F36-F50 HydrophobicContact CE1-CZ 4.22Å; F36-F50 HydrophobicContact CE2-CE1 4.26Å; F36-F50 HydrophobicContact CZ-CD1 4.15Å; F36-F50 AromaticContact CZ-CE1 3.63Å; F36-F50 HydrophobicContact CZ-CE1 3.63Å; F36-F50 HydrophobicContact CZ-CE2 4.33Å; F36-F50 AromaticContact CZ-CZ 3.73Å; F36-F50 HydrophobicContact CZ-CZ 3.73Å; F36-H62 AromaticContact CD2-CD2 3.78Å; F36-H62 AromaticContact CD2-NE2 3.45Å; F36-H62 WeakPolarHBondContact CD2-NE2 3.37Å; F36-H62 AromaticContact CE2-CD2 3.53Å; F36-H62 AromaticContact CE2-CE1 3.73Å; F36-H62 AromaticContact CE2-NE2 3.07Å; F36-H62 WeakPolarHBondContact CE2-NE2 3.44Å
37L61.9Low62.4Low122 Ų12279 Ų7964%0.63944%0.443SS*.THydrogen-bonded Turntrans-76-28-178.6-70.4163.5000113.1G29 G39G29-L37 PolarHBondContact O-N 3.41Å; L37-G39 VanDerWaalsContact C-N 3.32Å; L37-G39 PolarHBondContact O-N 2.82Å
38D54.1Low61.1Low152 Ų15282 Ų8281%0.81346%0.459SS*.THydrogen-bonded Turntrans-91.927.6-175.1-79.4-26.8000114.7
39G42.3Very low60Low35 Ų3582.9 Ų82.936%0.36147%0.468SS..  trans72.6176.5-177.400000112.8L37 V41L37-G39 VanDerWaalsContact C-N 3.32Å; L37-G39 PolarHBondContact O-N 2.82Å; G39-V41 VanDerWaalsContact C-N 3.26Å; G39-V41 PolarHBondContact O-N 3.47Å
40P41.3Very low59.3Low130 Ų13082.9 Ų82.984%0.84446%0.461SS*.  trans-77.382.5-175.632.9-31.6000108.4A42P40-A42 PolarHBondContact O-N 3.12Å
41V45.1Very low58.8Low117 Ų11783.8 Ų83.871%0.70947%0.466SS*.  trans-61.4102.5147.5-177.20000103.6G39 P43G39-V41 VanDerWaalsContact C-N 3.26Å; G39-V41 PolarHBondContact O-N 3.47Å; V41-P43 VanDerWaalsContact O-N 3.16Å
42A38.3Very low58.6Low58 Ų5884 Ų8448%0.47947%0.467SS..  trans-45.6127.6176.300000107.5P40 N44P40-A42 PolarHBondContact O-N 3.12Å; A42-N44 PolarHBondContact O-N 2.9Å
43P42Very low58.5Low90 Ų9082.5 Ų82.558%0.58446%0.456SS*.  trans-71.268.1170.929.9-32.5000107.6V41 C45V41-P43 VanDerWaalsContact O-N 3.16Å; P43-C45 PolarHBondContact O-N 2.85Å; P43-C45 VanDerWaalsContact O-N 3.14Å
44N38.4Very low58.8Low145 Ų14578.1 Ų78.178%0.77543%0.433SS*.  trans-85.264.5165.7-86.9-3.7000107.2A42A42-N44 PolarHBondContact O-N 2.9Å
45C39.5Very low59Low65 Ų6580.3 Ų80.344%0.43945%0.445SS..  trans-173.9122.9139.7-99.80000108.6P43 E47 D48P43-C45 PolarHBondContact O-N 2.85Å; P43-C45 VanDerWaalsContact O-N 3.14Å; C45-E47 HydrophobicContact CB-CB 4.42Å; C45-E47 PolarHBondContact O-N 3.08Å; C45-D48 PolarHBondContact O-N 3.44Å
46R42.1Very low58.7Low226 Ų22679 Ų7985%0.85344%0.437SS*.THydrogen-bonded Turntrans-61.69.7165.8-77.2175.3165.3-180-5.5112.8Q1Q1-R46 PolarHBondContact NE2-O 3.35Å
47E47.8Very low58.4Low165 Ų16577.2 Ų77.277%0.77144%0.438SS*.THydrogen-bonded Turntrans-122.110.5-170.3-63.9-173.9164.500113C45 P49C45-E47 HydrophobicContact CB-CB 4.42Å; C45-E47 PolarHBondContact O-N 3.08Å; E47-P49 WeakPolarHBondContact O-CD 3.38Å
48D58.8Low58.3Low80 Ų8077.3 Ų77.343%0.42845%0.449SS..  trans-68.9130.1173.9-76.9-33.7000111.2C45 F50 N51C45-D48 PolarHBondContact O-N 3.44Å; D48-F50 HydrophobicContact CB-CB 4.21Å; D48-F50 PolarHBondContact O-N 3.33Å; D48-N51 PolarHBondContact O-N 2.83Å
49P62.1Low58.7Low47 Ų4779.5 Ų79.531%0.30545%0.452SS..G310 helixtrans-53.7-16.7172.2-26.834.9000113.7E47 N51 T52 R244 D246E47-P49 WeakPolarHBondContact O-CD 3.38Å; P49-N51 PolarHBondContact O-N 2.91Å; P49-T52 WeakPolarHBondContact O-CB 3.27Å; P49-T52 WeakPolarHBondContact O-CG2 3.36Å; P49-T52 PolarHBondContact O-N 3.37Å; P49-T52 PolarHBondContact O-OG1 2.64Å; P49-R244 CarbonylContact C-O 3.44Å; P49-R244 VanDerWaalsContact CB-O 3.31Å; P49-R244 WeakPolarHBondContact CB-O 3.12Å; P49-D246 HydrophobicContact CG-CB 4.3Å
50F67.4Low60Low23 Ų2379.7 Ų79.710%0.10145%0.454CS..G310 helixtrans-61.9-34.4173.6176.5-107.3000114.4H28 V30 F36 D48 T52 F53 F54 H62H28-F50 HydrophobicContact CB-CD2 3.8Å; H28-F50 HydrophobicContact CB-CE2 3.49Å; H28-F50 VanDerWaalsContact CB-CE2 3.49Å; H28-F50 AromaticContact CD2-CD2 3.93Å; H28-F50 AromaticContact CE1-CD2 3.94Å; H28-F50 AromaticContact CG-CD2 3.48Å; H28-F50 VanDerWaalsContact CG-CD2 3.48Å; H28-F50 AromaticContact CG-CE2 3.62Å; H28-F50 AromaticContact ND1-CD2 3.51Å; V30-F50 HydrophobicContact CG2-CE2 3.88Å; V30-F50 HydrophobicContact CG2-CZ 3.73Å; F36-F50 HydrophobicContact CE1-CZ 4.22Å; F36-F50 HydrophobicContact CE2-CE1 4.26Å; F36-F50 HydrophobicContact CZ-CD1 4.15Å; F36-F50 AromaticContact CZ-CE1 3.63Å; F36-F50 HydrophobicContact CZ-CE1 3.63Å; F36-F50 HydrophobicContact CZ-CE2 4.33Å; F36-F50 AromaticContact CZ-CZ 3.73Å; F36-F50 HydrophobicContact CZ-CZ 3.73Å; D48-F50 HydrophobicContact CB-CB 4.21Å; D48-F50 PolarHBondContact O-N 3.33Å; F50-T52 PolarHBondContact O-N 3.02Å; F50-T52 VanDerWaalsContact O-N 3.08Å; F50-F53 PolarHBondContact O-N 2.68Å; F50-F54 AromaticContact CD2-CD2 3.75Å; F50-F54 HydrophobicContact CD2-CD2 3.75Å; F50-F54 HydrophobicContact CD2-CE2 4.17Å; F50-F54 HydrophobicContact CE1-CB 3.91Å; F50-F54 HydrophobicContact CE1-CD2 4.26Å; F50-F54 HydrophobicContact CE1-CG 4.18Å; F50-F54 HydrophobicContact CE2-CB 4.35Å; F50-F54 AromaticContact CE2-CD2 3.18Å; F50-F54 HydrophobicContact CE2-CD2 3.18Å; F50-F54 AromaticContact CE2-CE2 3.47Å; F50-F54 HydrophobicContact CE2-CE2 3.47Å; F50-F54 VanDerWaalsContact CE2-CE2 3.47Å; F50-F54 AromaticContact CE2-CG 3.8Å; F50-F54 HydrophobicContact CE2-CG 3.8Å; F50-F54 HydrophobicContact CE2-CZ 4.28Å; F50-F54 HydrophobicContact CG-CD2 4.5Å; F50-F54 HydrophobicContact CZ-CB 3.82Å; F50-F54 HydrophobicContact CZ-CD1 4.22Å; F50-F54 AromaticContact CZ-CD2 3.49Å; F50-F54 HydrophobicContact CZ-CD2 3.49Å; F50-F54 VanDerWaalsContact CZ-CD2 3.49Å; F50-F54 HydrophobicContact CZ-CE2 4.07Å; F50-F54 AromaticContact CZ-CG 3.57Å; F50-F54 HydrophobicContact CZ-CG 3.57Å; F50-F54 PolarHBondContact O-N 3.01Å; F50-H62 HydrophobicContact CE1-CB 4.28Å; F50-H62 AromaticContact CE1-CE1 3.99Å; F50-H62 AromaticContact CE1-CG 3.79Å; F50-H62 AromaticContact CE1-ND1 3.54Å; F50-H62 HydrophobicContact CZ-CB 4.12Å; F50-H62 AromaticContact CZ-CG 4Å
51N72.7Confident61.8Low22 Ų2277.6 Ų77.612%0.11843%0.429CS..G310 helixtrans-70.8-4.7-178.4-72.4-54.6000113.5D48 P49 F54 T56D48-N51 PolarHBondContact O-N 2.83Å; P49-N51 PolarHBondContact O-N 2.91Å; N51-F54 CarbonylContact C-O 3.55Å; N51-T56 PolarHBondContact OD1-OG1 2.92Å
52T79.2Confident63.7Low10 Ų1072.3 Ų72.36%0.06140%0.397CS..G310 helixtrans-65.9-39.9176.456.40000111.7R2 E3 C4 P49 F50 L243R2-T52 HydrophobicContact CB-CG2 4.08Å; R2-T52 WeakPolarHBondContact O-CB 3.21Å; R2-T52 WeakPolarHBondContact O-CG2 3.5Å; E3-T52 WeakPolarHBondContact CA-O 3.31Å; C4-T52 PolarHBondContact N-O 3.45Å; P49-T52 WeakPolarHBondContact O-CB 3.27Å; P49-T52 WeakPolarHBondContact O-CG2 3.36Å; P49-T52 PolarHBondContact O-N 3.37Å; P49-T52 PolarHBondContact O-OG1 2.64Å; F50-T52 PolarHBondContact O-N 3.02Å; F50-T52 VanDerWaalsContact O-N 3.08Å; T52-L243 PolarHBondContact OG1-O 3.45Å
53F82.6Confident66Low1 Ų170.8 Ų70.80%0.00438%0.381CS..THydrogen-bonded Turntrans-106.3-22.6-178.9-81.5-108.6000113.5C4 W21 F24 F50 R65 L137 T240 L243 R244C4-F53 HydrophobicContact CB-CE2 4.14Å; C4-F53 HydrophobicContact CB-CZ 4.16Å; W21-F53 HydrophobicContact CH2-CB 3.99Å; W21-F53 AromaticContact CH2-CD1 3.82Å; W21-F53 HydrophobicContact CH2-CD1 3.82Å; W21-F53 HydrophobicContact CH2-CG 4.4Å; W21-F53 HydrophobicContact CZ2-CD1 4.37Å; W21-F53 HydrophobicContact CZ3-CB 4.23Å; W21-F53 HydrophobicContact CZ3-CD1 4.46Å; F24-F53 HydrophobicContact CD2-CD1 4.46Å; F24-F53 HydrophobicContact CE2-CD1 4.16Å; F24-F53 HydrophobicContact CE2-CE1 4.15Å; F50-F53 PolarHBondContact O-N 2.68Å; F53-R65 WeakPolarHBondContact O-CB 3.11Å; F53-R65 WeakPolarHBondContact O-CG 3.47Å; F53-R65 PolarHBondContact O-N 3.43Å; F53-L137 HydrophobicContact CE1-CD1 3.74Å; F53-L137 HydrophobicContact CZ-CD1 3.69Å; F53-T240 HydrophobicContact CE1-CG2 4.5Å; F53-T240 HydrophobicContact CZ-CG2 4.05Å; F53-L243 HydrophobicContact CE2-CB 3.92Å; F53-L243 HydrophobicContact CE2-CD1 4.27Å; F53-L243 HydrophobicContact CZ-CD1 4.27Å; F53-R244 HydrophobicContact CD2-CG 3.37Å; F53-R244 HydrophobicContact CE2-CG 3.53Å; F53-R244 HydrophobicContact CG-CG 4.01Å; F53-R244 HydrophobicContact CZ-CG 4.26Å
54F84.9Confident68.2Low0 Ų066.5 Ų66.50%035%0.353CS..EExtended strand (participates in β ladder)trans-109.7143.8179.3-66.8-90.3000111.7W21 F24 H28 F50 N51 H62 P64W21-F54 HydrophobicContact CE3-CE1 4.32Å; W21-F54 HydrophobicContact CE3-CZ 4.05Å; W21-F54 HydrophobicContact CZ3-CE1 4.03Å; W21-F54 HydrophobicContact CZ3-CE2 4.12Å; W21-F54 AromaticContact CZ3-CZ 3.78Å; W21-F54 HydrophobicContact CZ3-CZ 3.78Å; F24-F54 HydrophobicContact CB-CZ 4.49Å; H28-F54 AromaticContact CD2-CE2 3.88Å; F50-F54 AromaticContact CD2-CD2 3.75Å; F50-F54 HydrophobicContact CD2-CD2 3.75Å; F50-F54 HydrophobicContact CD2-CE2 4.17Å; F50-F54 HydrophobicContact CE1-CB 3.91Å; F50-F54 HydrophobicContact CE1-CD2 4.26Å; F50-F54 HydrophobicContact CE1-CG 4.18Å; F50-F54 HydrophobicContact CE2-CB 4.35Å; F50-F54 AromaticContact CE2-CD2 3.18Å; F50-F54 HydrophobicContact CE2-CD2 3.18Å; F50-F54 AromaticContact CE2-CE2 3.47Å; F50-F54 HydrophobicContact CE2-CE2 3.47Å; F50-F54 VanDerWaalsContact CE2-CE2 3.47Å; F50-F54 AromaticContact CE2-CG 3.8Å; F50-F54 HydrophobicContact CE2-CG 3.8Å; F50-F54 HydrophobicContact CE2-CZ 4.28Å; F50-F54 HydrophobicContact CG-CD2 4.5Å; F50-F54 HydrophobicContact CZ-CB 3.82Å; F50-F54 HydrophobicContact CZ-CD1 4.22Å; F50-F54 AromaticContact CZ-CD2 3.49Å; F50-F54 HydrophobicContact CZ-CD2 3.49Å; F50-F54 VanDerWaalsContact CZ-CD2 3.49Å; F50-F54 HydrophobicContact CZ-CE2 4.07Å; F50-F54 AromaticContact CZ-CG 3.57Å; F50-F54 HydrophobicContact CZ-CG 3.57Å; F50-F54 PolarHBondContact O-N 3.01Å; N51-F54 CarbonylContact C-O 3.55Å; F54-H62 HydrophobicContact CB-CB 4.25Å; F54-H62 HydrophobicContact CD1-CB 4.02Å; F54-H62 HydrophobicContact CG-CB 4.39Å; F54-P64 HydrophobicContact CD1-CG 4.3Å; F54-P64 HydrophobicContact CE1-CG 3.97Å
55N82.3Confident70.8Confident45 Ų4560.3 Ų60.324%0.24132%0.319CS..EExtended strand (participates in β ladder)trans-99.4130.7166.4-165.84.5000109.2G57 H62 V63 R65 Q129N55-G57 PolarHBondContact O-N 3.48Å; N55-H62 WeakPolarHBondContact O-CA 3.47Å; N55-V63 PolarHBondContact N-O 2.88Å; N55-V63 PolarHBondContact O-N 3.43Å; N55-R65 HydrophobicContact CB-CG 4.48Å; N55-Q129 PolarHBondContact ND2-OE1 2.79Å
56T74.4Confident73.3Confident56 Ų5657.2 Ų57.234%0.34430%0.298SS..EExtended strand (participates in β ladder)trans-91.5107.4-179.8-59.80000109.3N51 H62N51-T56 PolarHBondContact OD1-OG1 2.92Å; T56-H62 PolarHBondContact OG1-CE1 3.14Å; T56-H62 PolarHBondContact OG1-ND1 3.04Å; T56-H62 VanDerWaalsContact OG1-ND1 3.13Å
57G69.3Low75.8Confident32 Ų3246.4 Ų46.433%0.3326%0.258SS..  trans-76.3167.2177.300000113.3N55 F59 G60 R61N55-G57 PolarHBondContact O-N 3.48Å; G57-F59 PolarHBondContact O-N 3.39Å; G57-G60 PolarHBondContact O-N 3.18Å; G57-R61 PolarHBondContact N-O 3.1Å
58S58.9Low78.1Confident124 Ų12438.6 Ų38.687%0.86722%0.221SC*.THydrogen-bonded Turntrans-64-5.1-172.4-43.90000115.9
59F62.9Low79.8Confident199 Ų19934.8 Ų34.887%0.87320%0.2SC*.THydrogen-bonded Turntrans-120.317.8-177.6-64.1-76.3000113.7G57 R61G57-F59 PolarHBondContact O-N 3.39Å; F59-R61 PolarHBondContact O-N 3.21Å
60G69.8Low81.3Confident39 Ų3932.7 Ų32.740%0.40219%0.187SC..SBendtrans7216.7-175.500000113.6G57G57-G60 PolarHBondContact O-N 3.18Å
61R80.4Confident82.4Confident85 Ų8531.6 Ų31.632%0.32118%0.182SC..  trans-89.2129.8171.3-177.9169.5163.3-163.6-13.8109.4G34 G57 F59 V63 E86 L87G34-R61 CarbonylContact O-C 3.59Å; G34-R61 WeakPolarHBondContact O-CA 3.49Å; G57-R61 PolarHBondContact N-O 3.1Å; F59-R61 PolarHBondContact O-N 3.21Å; R61-V63 HydrophobicContact CG-CG2 4.32Å; R61-E86 PolarHBondContact NE-O 3.31Å; R61-E86 PolarHBondContact NH2-O 3.43Å; R61-L87 PolarHBondContact NH2-O 3.06Å
62H82.9Confident83.2Confident7 Ų733.8 Ų33.83%0.03219%0.192CC..EExtended strand (participates in β ladder)trans-99113.6177.2-60.7-71.8000109.2G34 F36 F50 F54 N55 T56G34-H62 PolarHBondContact O-N 3.3Å; F36-H62 AromaticContact CD2-CD2 3.78Å; F36-H62 AromaticContact CD2-NE2 3.45Å; F36-H62 WeakPolarHBondContact CD2-NE2 3.37Å; F36-H62 AromaticContact CE2-CD2 3.53Å; F36-H62 AromaticContact CE2-CE1 3.73Å; F36-H62 AromaticContact CE2-NE2 3.07Å; F36-H62 WeakPolarHBondContact CE2-NE2 3.44Å; F50-H62 HydrophobicContact CE1-CB 4.28Å; F50-H62 AromaticContact CE1-CE1 3.99Å; F50-H62 AromaticContact CE1-CG 3.79Å; F50-H62 AromaticContact CE1-ND1 3.54Å; F50-H62 HydrophobicContact CZ-CB 4.12Å; F50-H62 AromaticContact CZ-CG 4Å; F54-H62 HydrophobicContact CB-CB 4.25Å; F54-H62 HydrophobicContact CD1-CB 4.02Å; F54-H62 HydrophobicContact CG-CB 4.39Å; N55-H62 WeakPolarHBondContact O-CA 3.47Å; T56-H62 PolarHBondContact OG1-CE1 3.14Å; T56-H62 PolarHBondContact OG1-ND1 3.04Å; T56-H62 VanDerWaalsContact OG1-ND1 3.13Å
63V86.6Confident83.7Confident26 Ų2635.3 Ų35.316%0.15820%0.201CC..EExtended strand (participates in β ladder)trans-102.1127-178.9-1780000108.8N55 R61 H89N55-V63 PolarHBondContact N-O 2.88Å; N55-V63 PolarHBondContact O-N 3.43Å; R61-V63 HydrophobicContact CG-CG2 4.32Å; V63-H89 HydrophobicContact CG1-CB 4.25Å
64P90.1Very high84Confident0 Ų038.5 Ų38.50%022%0.221CC..EExtended strand (participates in β ladder)trans-55.2140.1173.8-30.839.1000113.2W21 F54 A66 L87 F88 Q92W21-P64 HydrophobicContact CD2-CB 3.99Å; W21-P64 HydrophobicContact CD2-CG 4.32Å; W21-P64 HydrophobicContact CE3-CB 3.74Å; W21-P64 HydrophobicContact CE3-CG 3.89Å; W21-P64 HydrophobicContact CH2-CB 3.67Å; W21-P64 HydrophobicContact CZ2-CB 3.93Å; W21-P64 HydrophobicContact CZ3-CB 3.57Å; W21-P64 HydrophobicContact CZ3-CG 4.06Å; F54-P64 HydrophobicContact CD1-CG 4.3Å; F54-P64 HydrophobicContact CE1-CG 3.97Å; P64-A66 HydrophobicContact CB-CB 4Å; P64-A66 PolarHBondContact O-N 3.02Å; P64-L87 HydrophobicContact CG-CD1 4.12Å; P64-L87 HydrophobicContact CG-CD2 3.71Å; P64-L87 HydrophobicContact CG-CG 3.6Å; P64-F88 HydrophobicContact CB-CD1 3.97Å; P64-F88 HydrophobicContact CB-CE1 3.74Å; P64-F88 HydrophobicContact CG-CD1 3.87Å; P64-F88 HydrophobicContact CG-CE1 3.61Å; P64-F88 HydrophobicContact CG-CZ 4.47Å; P64-Q92 PolarHBondContact O-NE2 3.39Å
65R91.4Very high84.2Confident14 Ų1438.9 Ų38.95%0.05322%0.224CC..SBendtrans-81.162165.6-62.8-179.8-171.5-84.1-1109.4S6 F53 N55 C130S6-R65 PolarHBondContact N-O 3.1Å; F53-R65 WeakPolarHBondContact O-CB 3.11Å; F53-R65 WeakPolarHBondContact O-CG 3.47Å; F53-R65 PolarHBondContact O-N 3.43Å; N55-R65 HydrophobicContact CB-CG 4.48Å; R65-C130 PolarHBondContact NH1-SG 3.44Å
66A93.1Very high84.6Confident0 Ų036.8 Ų36.80%021%0.212CC..EExtended strand (participates in β ladder)trans-121146.1-177.400000110.9S6 W21 P64 F68 F88 Q92S6-A66 CarbonylContact O-C 3.54Å; S6-A66 VanDerWaalsContact O-CA 3.23Å; S6-A66 WeakPolarHBondContact O-CA 3.32Å; W21-A66 HydrophobicContact CZ2-CB 3.61Å; P64-A66 HydrophobicContact CB-CB 4Å; P64-A66 PolarHBondContact O-N 3.02Å; A66-F68 HydrophobicContact CB-CD2 4.4Å; A66-F68 HydrophobicContact CB-CE2 3.8Å; A66-F88 HydrophobicContact CB-CD1 4.4Å; A66-F88 HydrophobicContact CB-CE1 4.15Å; A66-Q92 WeakPolarHBondContact O-CB 3.25Å; A66-Q92 VanDerWaalsContact O-CD 3.25Å; A66-Q92 WeakPolarHBondContact O-CG 3.22Å
67L94.9Very high85.4Confident0 Ų037.2 Ų37.20%021%0.213CC..EExtended strand (participates in β ladder)trans-122.9131.5165.6-166.372000108.9S6 I7 H8 V69 Q92 I94 V119 R122 I123 M126S6-L67 PolarHBondContact O-N 3.41Å; I7-L67 CarbonylContact C-O 3.59Å; I7-L67 WeakPolarHBondContact CA-O 3.49Å; I7-L67 HydrophobicContact CG2-CB 4.46Å; I7-L67 HydrophobicContact CG2-CD2 4.47Å; H8-L67 PolarHBondContact N-O 3.33Å; L67-V69 HydrophobicContact CD2-CG2 3.69Å; L67-V69 HydrophobicContact CG-CG2 3.78Å; L67-Q92 HydrophobicContact CD1-CB 4.42Å; L67-Q92 WeakPolarHBondContact CD1-O 3.35Å; L67-I94 HydrophobicContact CD1-CD1 3.86Å; L67-I94 HydrophobicContact CD1-CG1 4.34Å; L67-I94 HydrophobicContact CD2-CD1 4.27Å; L67-I94 HydrophobicContact CG-CD1 4.35Å; L67-V119 HydrophobicContact CD2-CG1 3.81Å; L67-R122 HydrophobicContact CD1-CB 3.97Å; L67-I123 HydrophobicContact CD2-CD1 4.1Å; L67-I123 HydrophobicContact CD2-CG1 3.67Å; L67-M126 HydrophobicContact CB-CE 3.85Å; L67-M126 HydrophobicContact CD1-CE 4.13Å; L67-M126 HydrophobicContact CD2-CE 4.44Å; L67-M126 HydrophobicContact CG-CE 4.39Å
68F95.3Very high86.4Confident0 Ų041.2 Ų41.20%022%0.223CC..EExtended strand (participates in β ladder)trans-112.5124.8172-65.2-95.2000108.1H8 V14 W21 A66 F88 Q92 L93 I94H8-F68 HydrophobicContact CB-CD1 3.56Å; H8-F68 HydrophobicContact CB-CE1 3.87Å; H8-F68 HydrophobicContact CB-CG 4.25Å; H8-F68 AromaticContact CD2-CE1 3.73Å; H8-F68 AromaticContact CD2-CZ 3.83Å; H8-F68 AromaticContact CG-CD1 3.91Å; H8-F68 AromaticContact CG-CE1 3.71Å; V14-F68 HydrophobicContact CB-CD1 4.14Å; V14-F68 HydrophobicContact CG1-CD1 3.82Å; V14-F68 HydrophobicContact CG1-CE1 4.4Å; V14-F68 HydrophobicContact CG2-CB 4.37Å; V14-F68 HydrophobicContact CG2-CD1 4.06Å; W21-F68 AromaticContact CD1-CZ 3.74Å; A66-F68 HydrophobicContact CB-CD2 4.4Å; A66-F68 HydrophobicContact CB-CE2 3.8Å; F68-F88 HydrophobicContact CD2-CD1 4.47Å; F68-F88 AromaticContact CE2-CD1 3.75Å; F68-F88 HydrophobicContact CE2-CD1 3.75Å; F68-F88 AromaticContact CE2-CE1 3.43Å; F68-F88 HydrophobicContact CE2-CE1 3.43Å; F68-F88 VanDerWaalsContact CE2-CE1 3.43Å; F68-F88 HydrophobicContact CE2-CE2 4.3Å; F68-F88 HydrophobicContact CE2-CG 4.31Å; F68-F88 AromaticContact CE2-CZ 3.73Å; F68-F88 HydrophobicContact CE2-CZ 3.73Å; F68-F88 AromaticContact CZ-CE1 3.95Å; F68-F88 HydrophobicContact CZ-CE1 3.95Å; F68-F88 HydrophobicContact CZ-CE2 4.47Å; F68-F88 AromaticContact CZ-CZ 3.85Å; F68-F88 HydrophobicContact CZ-CZ 3.85Å; F68-Q92 PolarHBondContact N-O 3.43Å; F68-L93 HydrophobicContact CB-CD2 3.76Å; F68-L93 HydrophobicContact CD2-CD2 3.58Å; F68-L93 HydrophobicContact CE2-CD2 4.47Å; F68-L93 HydrophobicContact CG-CD2 3.91Å; F68-I94 PolarHBondContact O-N 2.95Å
69V94.7Very high87.8Confident0 Ų035.5 Ų35.50%018%0.182CC..EExtended strand (participates in β ladder)trans-129.6125.8-177.6-171.40000108.7H8 V9 G10 L67 I94 V119 F150H8-V69 PolarHBondContact O-N 3.28Å; V9-V69 WeakPolarHBondContact CA-O 3.23Å; G10-V69 PolarHBondContact N-O 3.47Å; L67-V69 HydrophobicContact CD2-CG2 3.69Å; L67-V69 HydrophobicContact CG-CG2 3.78Å; V69-I94 WeakPolarHBondContact CA-O 3.49Å; V69-I94 HydrophobicContact CG2-CB 4.43Å; V69-I94 HydrophobicContact CG2-CD1 4.39Å; V69-V119 HydrophobicContact CB-CG2 4.5Å; V69-V119 HydrophobicContact CG1-CG2 3.7Å; V69-V119 HydrophobicContact CG2-CG1 4.05Å; V69-V119 HydrophobicContact CG2-CG2 3.92Å; V69-F150 HydrophobicContact CB-CE1 4.32Å; V69-F150 HydrophobicContact CG1-CD1 4.28Å; V69-F150 HydrophobicContact CG1-CE1 3.63Å; V69-F150 HydrophobicContact CG1-CZ 4.02Å
70D94.6Very high89Confident4 Ų430.5 Ų30.52%0.02116%0.158CC..EExtended strand (participates in β ladder)trans-144.1146.2171.4-156.8-12.8000109.2Q11 E72 I76 I94 S95 G96Q11-D70 PolarHBondContact N-OD2 3.4Å; D70-E72 WeakPolarHBondContact CB-O 3.37Å; D70-E72 PolarHBondContact OD1-N 3.32Å; D70-I76 HydrophobicContact CB-CD1 3.55Å; D70-I76 HydrophobicContact CB-CG1 3.96Å; D70-I94 PolarHBondContact N-O 3.17Å; D70-I94 VanDerWaalsContact N-O 3.07Å; D70-S95 CarbonylContact O-C 3.57Å; D70-S95 WeakPolarHBondContact O-CA 3.49Å; D70-G96 PolarHBondContact O-N 3.13Å
71L90.3Very high90Very high0 Ų034.5 Ų34.50%017%0.174CC..SBendtrans-78.6-18.7176.7-57.8-177.5000110.9G96 K97 E98 A100 V111 I115 T146 F150L71-G96 CarbonylContact O-C 3.6Å; L71-G96 WeakPolarHBondContact O-CA 3.42Å; L71-K97 PolarHBondContact O-N 3.13Å; L71-E98 CarbonylContact C-O 3.4Å; L71-E98 VanDerWaalsContact CB-O 3.28Å; L71-E98 WeakPolarHBondContact CB-O 3.35Å; L71-E98 CarbonylContact O-C 3.53Å; L71-E98 PolarHBondContact O-N 3.35Å; L71-E98 VanDerWaalsContact O-O 3.05Å; L71-A100 HydrophobicContact CD1-CB 3.9Å; L71-V111 HydrophobicContact CB-CG1 4.43Å; L71-V111 HydrophobicContact CD1-CB 4.21Å; L71-V111 HydrophobicContact CD1-CG1 3.92Å; L71-V111 HydrophobicContact CD2-CG1 4.15Å; L71-V111 HydrophobicContact CG-CG1 4.37Å; L71-I115 HydrophobicContact CD2-CD1 3.71Å; L71-I115 HydrophobicContact CD2-CG1 4.46Å; L71-T146 HydrophobicContact CB-CG2 4.45Å; L71-T146 HydrophobicContact CD1-CG2 4.18Å; L71-T146 WeakPolarHBondContact CD1-OG1 3.41Å; L71-T146 HydrophobicContact CG-CG2 3.75Å; L71-F150 HydrophobicContact CD2-CD2 4.47Å
72E88.5Confident90.3Very high68 Ų6831.8 Ų31.832%0.31817%0.173SC..SBendtrans-106.6140.8172.4-166.2-176.2164.100111.8D70 T74 D99D70-E72 WeakPolarHBondContact CB-O 3.37Å; D70-E72 PolarHBondContact OD1-N 3.32Å; E72-T74 WeakPolarHBondContact OE1-CB 3.29Å; E72-T74 PolarHBondContact OE1-OG1 3.37Å; E72-D99 HydrophobicContact CB-CB 4.23Å
73P89.8Confident90.4Very high41 Ų4138 Ų3827%0.26620%0.2SC..SBendtrans-75.4-22.4179.929.7-36.4000114.7V75 I76 D77P73-V75 PolarHBondContact O-N 2.97Å; P73-I76 PolarHBondContact O-N 2.89Å; P73-I76 VanDerWaalsContact O-N 3.15Å; P73-D77 WeakPolarHBondContact O-CB 3.48Å; P73-D77 PolarHBondContact O-N 3.26Å
74T90.1Very high90.3Very high69 Ų6937.5 Ų37.542%0.42320%0.195SC..Hα-helixtrans-53.5-51.5-165.8-550000113.3E72 D77 E78E72-T74 WeakPolarHBondContact OE1-CB 3.29Å; E72-T74 PolarHBondContact OE1-OG1 3.37Å; T74-D77 PolarHBondContact O-N 3.41Å; T74-E78 PolarHBondContact O-N 3.04Å
75V88.9Confident90.2Very high8 Ų844.7 Ų44.75%0.04822%0.222CC..Hα-helixtrans-73.4-33.2-175.6-171.20000111.5Q11 V14 Q15 P73 E78 V79Q11-V75 HydrophobicContact CB-CG2 3.9Å; Q11-V75 HydrophobicContact CG-CG1 4.46Å; Q11-V75 HydrophobicContact CG-CG2 3.72Å; V14-V75 HydrophobicContact CB-CG1 3.93Å; V14-V75 HydrophobicContact CG1-CG1 3.65Å; Q15-V75 HydrophobicContact CG-CG1 3.82Å; P73-V75 PolarHBondContact O-N 2.97Å; V75-E78 WeakPolarHBondContact O-CB 3.35Å; V75-E78 PolarHBondContact O-N 3.43Å; V75-V79 PolarHBondContact O-N 2.78Å
76I90.6Very high89.9Confident1 Ų147.8 Ų47.81%0.00524%0.237CC..Hα-helixtrans-72.9-35.4177-67.8-178.3000110.9V14 D70 P73 E78 V79 R80 L93 I94V14-I76 HydrophobicContact CG2-CG1 4.41Å; D70-I76 HydrophobicContact CB-CD1 3.55Å; D70-I76 HydrophobicContact CB-CG1 3.96Å; P73-I76 PolarHBondContact O-N 2.89Å; P73-I76 VanDerWaalsContact O-N 3.15Å; I76-E78 VanDerWaalsContact C-N 3.27Å; I76-E78 PolarHBondContact O-N 2.88Å; I76-V79 WeakPolarHBondContact O-CA 3.37Å; I76-V79 WeakPolarHBondContact O-CB 3.39Å; I76-V79 PolarHBondContact O-N 3.41Å; I76-R80 WeakPolarHBondContact O-CG 3.06Å; I76-R80 PolarHBondContact O-N 3.22Å; I76-L93 HydrophobicContact CG2-CB 3.86Å; I76-I94 WeakPolarHBondContact CD1-O 3.4Å
77D90.6Very high89.6Confident65 Ų6547.8 Ų47.835%0.34824%0.237SC..Hα-helixtrans-65.6-32.5175.9-75.1-18.5000111.5P73 T74 V79 R80 V81P73-D77 WeakPolarHBondContact O-CB 3.48Å; P73-D77 PolarHBondContact O-N 3.26Å; T74-D77 PolarHBondContact O-N 3.41Å; D77-V79 VanDerWaalsContact C-N 3.3Å; D77-V79 PolarHBondContact O-N 3.08Å; D77-R80 PolarHBondContact O-N 2.86Å; D77-R80 VanDerWaalsContact O-N 3.15Å; D77-R80 WeakPolarHBondContact OD1-CD 3.42Å; D77-R80 IonicContact OD1-CZ 2.71Å; D77-R80 IonicContact OD1-NE 4Å; D77-R80 IonicContact OD1-NH1 2.7Å; D77-R80 PolarHBondContact OD1-NH1 3.43Å; D77-V81 WeakPolarHBondContact O-CG2 3.45Å; D77-V81 PolarHBondContact O-N 3.06Å
78E89.8Confident89.2Confident115 Ų11548 Ų4854%0.53724%0.238SC..Hα-helixtrans-60.1-39.2168.7-67.9-178.5173.300112.1T74 V75 I76 V81 G82T74-E78 PolarHBondContact O-N 3.04Å; V75-E78 WeakPolarHBondContact O-CB 3.35Å; V75-E78 PolarHBondContact O-N 3.43Å; I76-E78 VanDerWaalsContact C-N 3.27Å; I76-E78 PolarHBondContact O-N 2.88Å; E78-V81 PolarHBondContact O-N 3.21Å; E78-G82 WeakPolarHBondContact O-CA 3.19Å; E78-G82 PolarHBondContact O-N 2.96Å
79V88.9Confident88.8Confident4 Ų452.1 Ų52.12%0.02426%0.257CS..Hα-helixtrans-68-36.8174.6-178.90000111.1V14 V75 I76 D77 V81 F88 L93V14-V79 HydrophobicContact CG1-CG2 3.89Å; V75-V79 PolarHBondContact O-N 2.78Å; I76-V79 WeakPolarHBondContact O-CA 3.37Å; I76-V79 WeakPolarHBondContact O-CB 3.39Å; I76-V79 PolarHBondContact O-N 3.41Å; D77-V79 VanDerWaalsContact C-N 3.3Å; D77-V79 PolarHBondContact O-N 3.08Å; V79-V81 VanDerWaalsContact C-N 3.34Å; V79-V81 PolarHBondContact O-N 3.27Å; V79-F88 HydrophobicContact CG1-CD2 3.87Å; V79-F88 HydrophobicContact CG1-CE2 3.97Å; V79-L93 HydrophobicContact CG1-CD2 4.27Å
80R88.8Confident88.4Confident95 Ų9556.7 Ų56.736%0.35829%0.287SS..Hα-helixtrans-69.4-27.9177.4-68.6174.8-178.6158.50.4113.4I76 D77 R85 L93 S95I76-R80 WeakPolarHBondContact O-CG 3.06Å; I76-R80 PolarHBondContact O-N 3.22Å; D77-R80 PolarHBondContact O-N 2.86Å; D77-R80 VanDerWaalsContact O-N 3.15Å; D77-R80 WeakPolarHBondContact OD1-CD 3.42Å; D77-R80 IonicContact OD1-CZ 2.71Å; D77-R80 IonicContact OD1-NE 4Å; D77-R80 IonicContact OD1-NH1 2.7Å; D77-R80 PolarHBondContact OD1-NH1 3.43Å; R80-R85 WeakPolarHBondContact O-CB 3.19Å; R80-L93 HydrophobicContact CG-CD1 3.64Å; R80-L93 PolarHBondContact NH2-O 3.38Å; R80-L93 VanDerWaalsContact NH2-O 3.09Å; R80-S95 PolarHBondContact NH2-OG 3.2Å
81V89.7Confident88.1Confident122 Ų12260.7 Ų60.774%0.73931%0.306SS*.Hα-helixtrans-100-17179.4-178.80000111.9D77 E78 V79D77-V81 WeakPolarHBondContact O-CG2 3.45Å; D77-V81 PolarHBondContact O-N 3.06Å; E78-V81 PolarHBondContact O-N 3.21Å; V79-V81 VanDerWaalsContact C-N 3.34Å; V79-V81 PolarHBondContact O-N 3.27Å
82G86.6Confident88Confident29 Ų2961.6 Ų61.630%0.29931%0.31SS..SBendtrans-67.2178.6-175.500000114.8E78 Y84 R85E78-G82 WeakPolarHBondContact O-CA 3.19Å; E78-G82 PolarHBondContact O-N 2.96Å; G82-Y84 PolarHBondContact O-N 3.49Å; G82-R85 WeakPolarHBondContact O-CB 3.42Å; G82-R85 PolarHBondContact O-N 3.19Å; G82-R85 VanDerWaalsContact O-N 3.15Å
83K85Confident88.2Confident138 Ų13859 Ų5960%0.630%0.298SS*.THydrogen-bonded Turntrans-56.1-34.1-179-174.4-177.9174.8-167.30113.1P32P32-K83 HydrophobicContact CB-CG 4.32Å; P32-K83 WeakPolarHBondContact CB-O 3.48Å; P32-K83 HydrophobicContact CG-CG 4.27Å
84Y85.4Confident88.4Confident14 Ų1458.3 Ų58.36%0.05529%0.292CS..THydrogen-bonded Turntrans-98.823.9-177.5-65.7-80.3000113.6E22 C25 P32 G82 E86 L87E22-Y84 HydrophobicContact CB-CE2 3.76Å; E22-Y84 HydrophobicContact CG-CE2 3.84Å; C25-Y84 HydrophobicContact CB-CE1 4.14Å; P32-Y84 HydrophobicContact CB-CD1 3.97Å; P32-Y84 HydrophobicContact CB-CE1 4.02Å; P32-Y84 HydrophobicContact CG-CE1 4.18Å; G82-Y84 PolarHBondContact O-N 3.49Å; Y84-E86 PolarHBondContact O-N 2.84Å; Y84-L87 HydrophobicContact CD1-CB 4.39Å; Y84-L87 HydrophobicContact CD1-CD2 3.9Å; Y84-L87 HydrophobicContact CG-CD2 4.43Å; Y84-L87 VanDerWaalsContact O-CB 3.27Å; Y84-L87 WeakPolarHBondContact O-CB 3.32Å; Y84-L87 PolarHBondContact O-N 3.42Å
85R86.5Confident88.5Confident151 Ų15157 Ų5757%0.5729%0.286SS*.THydrogen-bonded Turntrans-57-31.7179.473-171.7-171.1171.92.7113.9R80 G82 L87R80-R85 WeakPolarHBondContact O-CB 3.19Å; G82-R85 WeakPolarHBondContact O-CB 3.42Å; G82-R85 PolarHBondContact O-N 3.19Å; G82-R85 VanDerWaalsContact O-N 3.15Å; R85-L87 VanDerWaalsContact C-N 3.33Å
86E85.1Confident88.4Confident79 Ų7957 Ų5737%0.36929%0.287SS..THydrogen-bonded Turntrans-91.74.8-179.5-64.4-176.8-154.500111.8R61 Y84R61-E86 PolarHBondContact NE-O 3.31Å; R61-E86 PolarHBondContact NH2-O 3.43Å; Y84-E86 PolarHBondContact O-N 2.84Å
87L86.6Confident88.2Confident0 Ų066.8 Ų66.80%033%0.329CS..THydrogen-bonded Turntrans-85.1-52.1177.6-173.665.5000110.7C25 R61 P64 Y84 R85C25-L87 WeakPolarHBondContact SG-CD2 3.45Å; R61-L87 PolarHBondContact NH2-O 3.06Å; P64-L87 HydrophobicContact CG-CD1 4.12Å; P64-L87 HydrophobicContact CG-CD2 3.71Å; P64-L87 HydrophobicContact CG-CG 3.6Å; Y84-L87 HydrophobicContact CD1-CB 4.39Å; Y84-L87 HydrophobicContact CD1-CD2 3.9Å; Y84-L87 HydrophobicContact CG-CD2 4.43Å; Y84-L87 VanDerWaalsContact O-CB 3.27Å; Y84-L87 WeakPolarHBondContact O-CB 3.32Å; Y84-L87 PolarHBondContact O-N 3.42Å; R85-L87 VanDerWaalsContact C-N 3.33Å
88F87.3Confident88Confident5 Ų569.2 Ų69.22%0.02234%0.339CS..SBendtrans-81149.2-174.6-56.2-72.2000112.5W21 P64 A66 F68 V79 L93W21-F88 HydrophobicContact CB-CE1 4.48Å; W21-F88 HydrophobicContact CB-CZ 3.93Å; W21-F88 HydrophobicContact CD2-CE1 4.41Å; W21-F88 HydrophobicContact CG-CE1 4.08Å; W21-F88 AromaticContact CG-CZ 3.98Å; W21-F88 HydrophobicContact CG-CZ 3.98Å; P64-F88 HydrophobicContact CB-CD1 3.97Å; P64-F88 HydrophobicContact CB-CE1 3.74Å; P64-F88 HydrophobicContact CG-CD1 3.87Å; P64-F88 HydrophobicContact CG-CE1 3.61Å; P64-F88 HydrophobicContact CG-CZ 4.47Å; A66-F88 HydrophobicContact CB-CD1 4.4Å; A66-F88 HydrophobicContact CB-CE1 4.15Å; F68-F88 HydrophobicContact CD2-CD1 4.47Å; F68-F88 AromaticContact CE2-CD1 3.75Å; F68-F88 HydrophobicContact CE2-CD1 3.75Å; F68-F88 AromaticContact CE2-CE1 3.43Å; F68-F88 HydrophobicContact CE2-CE1 3.43Å; F68-F88 VanDerWaalsContact CE2-CE1 3.43Å; F68-F88 HydrophobicContact CE2-CE2 4.3Å; F68-F88 HydrophobicContact CE2-CG 4.31Å; F68-F88 AromaticContact CE2-CZ 3.73Å; F68-F88 HydrophobicContact CE2-CZ 3.73Å; F68-F88 AromaticContact CZ-CE1 3.95Å; F68-F88 HydrophobicContact CZ-CE1 3.95Å; F68-F88 HydrophobicContact CZ-CE2 4.47Å; F68-F88 AromaticContact CZ-CZ 3.85Å; F68-F88 HydrophobicContact CZ-CZ 3.85Å; V79-F88 HydrophobicContact CG1-CD2 3.87Å; V79-F88 HydrophobicContact CG1-CE2 3.97Å; F88-L93 HydrophobicContact CB-CD1 4.47Å; F88-L93 HydrophobicContact CB-CD2 4.35Å; F88-L93 HydrophobicContact CB-CG 4.44Å
89H87.3Confident87.8Confident86 Ų8666.4 Ų66.440%0.39833%0.327SS..  trans-76135.2170.1-165-98.3000109V63 E91 Q92V63-H89 HydrophobicContact CG1-CB 4.25Å; H89-E91 VanDerWaalsContact CE1-CG 3.49Å; H89-E91 WeakPolarHBondContact CE1-CG 3.47Å; H89-E91 IonicContact CE1-OE2 3.04Å; H89-E91 PolarHBondContact CE1-OE2 2.96Å; H89-E91 WeakPolarHBondContact ND1-CB 3.22Å; H89-E91 WeakPolarHBondContact ND1-CG 3.38Å; H89-E91 PolarHBondContact ND1-N 3.23Å; H89-E91 IonicContact ND1-OE2 2.69Å; H89-E91 PolarHBondContact O-N 2.81Å; H89-Q92 HydrophobicContact CB-CG 4.03Å; H89-Q92 VanDerWaalsContact O-CB 3.29Å; H89-Q92 WeakPolarHBondContact O-CB 3.44Å; H89-Q92 PolarHBondContact O-N 3.46Å
90P86.6Confident87.6Confident96 Ų9666.2 Ų66.262%0.62333%0.326SS*.G310 helixtrans-56.5-29.4-177.6-27.434.7000113.9Q92 L93P90-Q92 PolarHBondContact O-N 3.07Å; P90-L93 PolarHBondContact O-N 3.4Å
91E87.3Confident87.5Confident89 Ų8964.9 Ų64.942%0.41634%0.335SS..G310 helixtrans-73.2-13.4177-59.5-168.9129.500114.6H89 L93 R122H89-E91 VanDerWaalsContact CE1-CG 3.49Å; H89-E91 WeakPolarHBondContact CE1-CG 3.47Å; H89-E91 IonicContact CE1-OE2 3.04Å; H89-E91 PolarHBondContact CE1-OE2 2.96Å; H89-E91 WeakPolarHBondContact ND1-CB 3.22Å; H89-E91 WeakPolarHBondContact ND1-CG 3.38Å; H89-E91 PolarHBondContact ND1-N 3.23Å; H89-E91 IonicContact ND1-OE2 2.69Å; H89-E91 PolarHBondContact O-N 2.81Å; E91-L93 VanDerWaalsContact C-N 3.32Å; E91-R122 IonicContact OE1-CZ 2.76Å; E91-R122 IonicContact OE1-NH1 3.9Å; E91-R122 PolarHBondContact OE1-NH1 3.13Å; E91-R122 IonicContact OE1-NH2 2.98Å; E91-R122 IonicContact OE2-NH1 3.65Å; E91-R122 PolarHBondContact OE2-NH1 3.08Å
92Q88.9Confident87.5Confident18 Ų1861.9 Ų61.98%0.08432%0.315CS..G310 helixtrans-84.7-9.3174.4-68.9171.3-31.800112.5P64 A66 L67 F68 H89 P90 M126P64-Q92 PolarHBondContact O-NE2 3.39Å; A66-Q92 WeakPolarHBondContact O-CB 3.25Å; A66-Q92 VanDerWaalsContact O-CD 3.25Å; A66-Q92 WeakPolarHBondContact O-CG 3.22Å; L67-Q92 HydrophobicContact CD1-CB 4.42Å; L67-Q92 WeakPolarHBondContact CD1-O 3.35Å; F68-Q92 PolarHBondContact N-O 3.43Å; H89-Q92 HydrophobicContact CB-CG 4.03Å; H89-Q92 VanDerWaalsContact O-CB 3.29Å; H89-Q92 WeakPolarHBondContact O-CB 3.44Å; H89-Q92 PolarHBondContact O-N 3.46Å; P90-Q92 PolarHBondContact O-N 3.07Å; Q92-M126 HydrophobicContact CG-SD 4.32Å
93L92.7Very high87.8Confident14 Ų1460.9 Ų60.97%0.07330%0.303CS..EExtended strand (participates in β ladder)trans-106.591.9-177.9-59-178.9000109.4F68 I76 V79 R80 F88 P90 E91F68-L93 HydrophobicContact CB-CD2 3.76Å; F68-L93 HydrophobicContact CD2-CD2 3.58Å; F68-L93 HydrophobicContact CE2-CD2 4.47Å; F68-L93 HydrophobicContact CG-CD2 3.91Å; I76-L93 HydrophobicContact CG2-CB 3.86Å; V79-L93 HydrophobicContact CG1-CD2 4.27Å; R80-L93 HydrophobicContact CG-CD1 3.64Å; R80-L93 PolarHBondContact NH2-O 3.38Å; R80-L93 VanDerWaalsContact NH2-O 3.09Å; F88-L93 HydrophobicContact CB-CD1 4.47Å; F88-L93 HydrophobicContact CB-CD2 4.35Å; F88-L93 HydrophobicContact CB-CG 4.44Å; P90-L93 PolarHBondContact O-N 3.4Å; E91-L93 VanDerWaalsContact C-N 3.32Å
94I92.9Very high88.2Confident26 Ų2654.4 Ų54.413%0.13328%0.275CS..EExtended strand (participates in β ladder)trans-99.2114.7-175-56.7173.5000109.4L67 F68 V69 D70 I76 I115 V119 R122L67-I94 HydrophobicContact CD1-CD1 3.86Å; L67-I94 HydrophobicContact CD1-CG1 4.34Å; L67-I94 HydrophobicContact CD2-CD1 4.27Å; L67-I94 HydrophobicContact CG-CD1 4.35Å; F68-I94 PolarHBondContact O-N 2.95Å; V69-I94 WeakPolarHBondContact CA-O 3.49Å; V69-I94 HydrophobicContact CG2-CB 4.43Å; V69-I94 HydrophobicContact CG2-CD1 4.39Å; D70-I94 PolarHBondContact N-O 3.17Å; D70-I94 VanDerWaalsContact N-O 3.07Å; I76-I94 WeakPolarHBondContact CD1-O 3.4Å; I94-I115 HydrophobicContact CG2-CG2 3.88Å; I94-V119 HydrophobicContact CD1-CB 4.2Å; I94-V119 HydrophobicContact CD1-CG2 3.59Å; I94-V119 HydrophobicContact CG2-CG2 4.08Å; I94-R122 HydrophobicContact CD1-CB 4.18Å; I94-R122 HydrophobicContact CD1-CG 3.72Å; I94-R122 HydrophobicContact CG1-CG 4.45Å
95S92.1Very high88.6Confident42 Ų4253.7 Ų53.729%0.29427%0.272SS..EExtended strand (participates in β ladder)trans-114.8132.3177.657.60000110.8D70 R80D70-S95 CarbonylContact O-C 3.57Å; D70-S95 WeakPolarHBondContact O-CA 3.49Å; R80-S95 PolarHBondContact NH2-OG 3.2Å
96G88.3Confident89Confident7 Ų748.9 Ų48.97%0.07225%0.254CS..  trans-77.6-172.616700000113.4D70 L71D70-G96 PolarHBondContact O-N 3.13Å; L71-G96 CarbonylContact O-C 3.6Å; L71-G96 WeakPolarHBondContact O-CA 3.42Å
97K85.4Confident89.3Confident207 Ų20745.1 Ų45.190%0.924%0.236SC*.SBendtrans-111.7-26.7176-65.4-178.2-177.6174.40113.1L71L71-K97 PolarHBondContact O-N 3.13Å
98E86.1Confident89.6Confident117 Ų11745.6 Ų45.655%0.54724%0.239SC..SBendtrans-124.7133.7-175.9-67.8-168.8-17400109L71 R106 V111L71-E98 CarbonylContact C-O 3.4Å; L71-E98 VanDerWaalsContact CB-O 3.28Å; L71-E98 WeakPolarHBondContact CB-O 3.35Å; L71-E98 CarbonylContact O-C 3.53Å; L71-E98 PolarHBondContact O-N 3.35Å; L71-E98 VanDerWaalsContact O-O 3.05Å; E98-R106 IonicContact OE2-NH2 3.69Å; E98-R106 PolarHBondContact OE2-NH2 2.87Å; E98-V111 HydrophobicContact CB-CG1 4.46Å; E98-V111 WeakPolarHBondContact O-CG1 3.48Å
99D86Confident89.8Confident56 Ų5647.9 Ų47.930%0.29925%0.247SC..  trans-78.2159.2175.4-176.733.5000112E72 A101 R106E72-D99 HydrophobicContact CB-CB 4.23Å; D99-A101 VanDerWaalsContact CG-N 3.33Å; D99-A101 PolarHBondContact O-N 3.12Å; D99-A101 WeakPolarHBondContact OD2-CA 3.42Å; D99-A101 PolarHBondContact OD2-N 3.48Å; D99-R106 PolarHBondContact O-NE 3.33Å; D99-R106 PolarHBondContact O-NH2 3.18Å
100A84.5Confident90Very high0 Ų046.1 Ų46.10%024%0.243CC..  trans-73.2-9.4169.500000113.1L71 N102 N103 R106 G145L71-A100 HydrophobicContact CD1-CB 3.9Å; A100-N102 VanDerWaalsContact C-N 3.27Å; A100-N102 PolarHBondContact O-N 2.84Å; A100-N103 VanDerWaalsContact O-CB 3.3Å; A100-N103 WeakPolarHBondContact O-CB 3.4Å; A100-N103 PolarHBondContact O-N 2.83Å; A100-R106 HydrophobicContact CB-CB 4.15Å; A100-R106 WeakPolarHBondContact O-CD 3.48Å; A100-G145 VanDerWaalsContact CB-C 3.5Å
101A88Confident90.2Very high66 Ų6642 Ų4255%0.54522%0.216SC..THydrogen-bonded Turntrans51.642.2174.900000113.4D99 N103D99-A101 VanDerWaalsContact CG-N 3.33Å; D99-A101 PolarHBondContact O-N 3.12Å; D99-A101 WeakPolarHBondContact OD2-CA 3.42Å; D99-A101 PolarHBondContact OD2-N 3.48Å; A101-N103 PolarHBondContact O-N 2.97Å
102N89.6Confident90.3Very high59 Ų5937.8 Ų37.832%0.31620%0.196SC..THydrogen-bonded Turntrans57.825.7-174.6-62.3-46.8000115.2A100 A181 V183 N187A100-N102 VanDerWaalsContact C-N 3.27Å; A100-N102 PolarHBondContact O-N 2.84Å; N102-A181 HydrophobicContact CB-CB 3.85Å; N102-V183 HydrophobicContact CB-CG2 4.35Å; N102-V183 VanDerWaalsContact O-CG2 3.23Å; N102-V183 WeakPolarHBondContact O-CG2 3.07Å; N102-N187 PolarHBondContact O-ND2 2.85Å
103N92.4Very high90.3Very high9 Ų942 Ų425%0.04821%0.214CC..  trans-112.8116.3177.4-173.1-14.6000110.8A100 A101 A105 R106 G107 W408 Y409A100-N103 VanDerWaalsContact O-CB 3.3Å; A100-N103 WeakPolarHBondContact O-CB 3.4Å; A100-N103 PolarHBondContact O-N 2.83Å; A101-N103 PolarHBondContact O-N 2.97Å; N103-A105 VanDerWaalsContact C-N 3.28Å; N103-A105 PolarHBondContact O-N 2.8Å; N103-A105 WeakPolarHBondContact OD1-CB 3.19Å; N103-A105 PolarHBondContact OD1-N 2.82Å; N103-R106 HydrophobicContact CB-CB 4.31Å; N103-R106 HydrophobicContact CB-CG 4.15Å; N103-R106 PolarHBondContact O-N 3.34Å; N103-G107 PolarHBondContact O-N 3.16Å; N103-W408 PolarHBondContact ND2-O 3.16Å; N103-Y409 WeakPolarHBondContact OD1-CD1 3.45Å; N103-Y409 WeakPolarHBondContact OD1-CE1 3.45Å
104Y94.1Very high90.2Very high1 Ų149.2 Ų49.20%0.00425%0.248CC..Hα-helixtrans-51.6-45.5174.3175.6-91.3000112.3R106 G107 H108 G149 S152 N187 L190 T194 M414Y104-R106 VanDerWaalsContact C-N 3.27Å; Y104-R106 PolarHBondContact O-N 2.93Å; Y104-G107 PolarHBondContact O-N 3.09Å; Y104-G107 VanDerWaalsContact O-N 3.07Å; Y104-H108 HydrophobicContact CD1-CB 4.34Å; Y104-H108 HydrophobicContact CE1-CB 3.89Å; Y104-H108 WeakPolarHBondContact O-CB 3.24Å; Y104-H108 PolarHBondContact O-N 2.72Å; Y104-H108 PolarHBondContact OH-ND1 3.01Å; Y104-G149 VanDerWaalsContact CE2-CA 3.44Å; Y104-S152 WeakPolarHBondContact OH-CB 3.41Å; Y104-N187 WeakPolarHBondContact CB-OD1 3.41Å; Y104-N187 PolarHBondContact N-OD1 3.11Å; Y104-N187 VanDerWaalsContact N-OD1 3.15Å; Y104-L190 HydrophobicContact CD1-CB 3.94Å; Y104-L190 HydrophobicContact CD1-CD1 3.75Å; Y104-L190 HydrophobicContact CD1-CG 4.44Å; Y104-L190 HydrophobicContact CD2-CB 3.89Å; Y104-L190 HydrophobicContact CE1-CB 4.03Å; Y104-L190 HydrophobicContact CE1-CD1 4.45Å; Y104-L190 HydrophobicContact CE2-CB 3.97Å; Y104-L190 HydrophobicContact CG-CB 3.9Å; Y104-L190 HydrophobicContact CG-CD1 3.92Å; Y104-T194 WeakPolarHBondContact OH-CG2 3.41Å; Y104-T194 PolarHBondContact OH-OG1 2.78Å; Y104-M414 HydrophobicContact CD1-SD 4.32Å
105A93.8Very high90.1Very high0 Ų049.3 Ų49.30%025%0.248CC..Hα-helixtrans-63.8-33.5-175.200000112.2N103 H108 Y109 Y409 E412 M414N103-A105 VanDerWaalsContact C-N 3.28Å; N103-A105 PolarHBondContact O-N 2.8Å; N103-A105 WeakPolarHBondContact OD1-CB 3.19Å; N103-A105 PolarHBondContact OD1-N 2.82Å; A105-H108 PolarHBondContact O-N 3.43Å; A105-Y109 HydrophobicContact CB-CD2 4.25Å; A105-Y109 WeakPolarHBondContact O-CA 3.4Å; A105-Y109 WeakPolarHBondContact O-CB 3.28Å; A105-Y109 PolarHBondContact O-N 3.44Å; A105-Y409 HydrophobicContact CB-CD1 4.19Å; A105-E412 HydrophobicContact CB-CB 3.76Å; A105-M414 HydrophobicContact CB-CB 3.85Å; A105-M414 HydrophobicContact CB-SD 4.24Å
106R93.2Very high90.1Very high50 Ų5047.5 Ų47.519%0.18924%0.235CC..Iπ-helixtrans-65.7-45.2172.9-73.8-177.467.990.51.7112.1E98 D99 A100 N103 Y104 H108 T110 V111 G112 E412E98-R106 IonicContact OE2-NH2 3.69Å; E98-R106 PolarHBondContact OE2-NH2 2.87Å; D99-R106 PolarHBondContact O-NE 3.33Å; D99-R106 PolarHBondContact O-NH2 3.18Å; A100-R106 HydrophobicContact CB-CB 4.15Å; A100-R106 WeakPolarHBondContact O-CD 3.48Å; N103-R106 HydrophobicContact CB-CB 4.31Å; N103-R106 HydrophobicContact CB-CG 4.15Å; N103-R106 PolarHBondContact O-N 3.34Å; Y104-R106 VanDerWaalsContact C-N 3.27Å; Y104-R106 PolarHBondContact O-N 2.93Å; R106-H108 VanDerWaalsContact C-N 3.3Å; R106-H108 PolarHBondContact O-N 3.42Å; R106-T110 WeakPolarHBondContact CA-OG1 3.5Å; R106-T110 PolarHBondContact O-OG1 3.44Å; R106-V111 PolarHBondContact O-N 2.91Å; R106-G112 PolarHBondContact O-N 2.97Å; R106-E412 WeakPolarHBondContact CD-OE1 3.39Å; R106-E412 HydrophobicContact CG-CB 4.28Å; R106-E412 HydrophobicContact CG-CG 3.6Å; R106-E412 WeakPolarHBondContact CG-OE1 3.3Å; R106-E412 WeakPolarHBondContact CG-OE2 3.33Å; R106-E412 IonicContact CZ-OE1 3.33Å; R106-E412 IonicContact NE-OE1 2.96Å; R106-E412 IonicContact NH1-OE1 3.51Å; R106-E412 PolarHBondContact NH1-OE1 3.25Å; R106-E412 IonicContact NH1-OE2 3.19Å
107G92Very high90.3Very high0 Ų052.7 Ų52.70%026%0.261CS..Iπ-helixtrans-65.5-31.6178.600000113.2N103 Y104 G112 G149 F150N103-G107 PolarHBondContact O-N 3.16Å; Y104-G107 PolarHBondContact O-N 3.09Å; Y104-G107 VanDerWaalsContact O-N 3.07Å; G107-G112 VanDerWaalsContact O-CA 3.25Å; G107-G112 WeakPolarHBondContact O-CA 3.46Å; G107-G149 CarbonylContact O-C 3.5Å; G107-F150 WeakPolarHBondContact O-CA 3.28Å; G107-F150 PolarHBondContact O-N 3.2Å
108H93.7Very high90.6Very high10 Ų1044.8 Ų44.85%0.04624%0.238CC..Iπ-helixtrans-97.3-46.5-175.5-169.588.4000113.5Y104 A105 R106 G149 L153 E156Y104-H108 HydrophobicContact CD1-CB 4.34Å; Y104-H108 HydrophobicContact CE1-CB 3.89Å; Y104-H108 WeakPolarHBondContact O-CB 3.24Å; Y104-H108 PolarHBondContact O-N 2.72Å; Y104-H108 PolarHBondContact OH-ND1 3.01Å; A105-H108 PolarHBondContact O-N 3.43Å; R106-H108 VanDerWaalsContact C-N 3.3Å; R106-H108 PolarHBondContact O-N 3.42Å; H108-G149 PolarHBondContact ND1-O 2.9Å; H108-L153 PolarHBondContact ND1-N 2.82Å; H108-E156 IonicContact CE1-OE1 3.06Å; H108-E156 PolarHBondContact CE1-OE1 2.88Å; H108-E156 IonicContact CE1-OE2 3.95Å; H108-E156 IonicContact NE2-OE1 3.46Å
109Y91.9Very high91Very high53 Ų5339.2 Ų39.221%0.20821%0.212CC..Iπ-helixtrans-100.7-38.3-168.1-68.5-71.1000115.1A105 K113 M414 E418A105-Y109 HydrophobicContact CB-CD2 4.25Å; A105-Y109 WeakPolarHBondContact O-CA 3.4Å; A105-Y109 WeakPolarHBondContact O-CB 3.28Å; A105-Y109 PolarHBondContact O-N 3.44Å; Y109-K113 WeakPolarHBondContact O-CD 3.38Å; Y109-K113 WeakPolarHBondContact O-CE 3.45Å; Y109-K113 WeakPolarHBondContact O-CG 3.32Å; Y109-K113 PolarHBondContact O-NZ 2.92Å; Y109-M414 HydrophobicContact CD2-CB 3.98Å; Y109-M414 HydrophobicContact CD2-CG 4.47Å; Y109-M414 HydrophobicContact CE2-CB 3.83Å; Y109-M414 HydrophobicContact CE2-CG 3.85Å; Y109-E418 PolarHBondContact OH-OE1 3.33Å; Y109-E418 PolarHBondContact OH-OE2 2.82Å
110T90.3Very high91.4Very high49 Ų4937.5 Ų37.530%0.30120%0.203SC..Iπ-helixtrans-103.1-83.1-173.957.60000111.9R106 G112 K113 E412R106-T110 WeakPolarHBondContact CA-OG1 3.5Å; R106-T110 PolarHBondContact O-OG1 3.44Å; T110-G112 PolarHBondContact O-N 3.24Å; T110-K113 PolarHBondContact O-N 3.1Å; T110-E412 HydrophobicContact CG2-CB 4.36Å; T110-E412 VanDerWaalsContact CG2-O 3.31Å; T110-E412 WeakPolarHBondContact CG2-O 3.26Å; T110-E412 VanDerWaalsContact CG2-OE2 3.3Å; T110-E412 WeakPolarHBondContact CG2-OE2 3.39Å; T110-E412 PolarHBondContact OG1-OE2 3.36Å
111V90.3Very high91.8Very high10 Ų1041.6 Ų41.66%0.06122%0.222CC..Hα-helixtrans-63.9-40.6-174-1750000111.7L71 E98 R106 K113 E114L71-V111 HydrophobicContact CB-CG1 4.43Å; L71-V111 HydrophobicContact CD1-CB 4.21Å; L71-V111 HydrophobicContact CD1-CG1 3.92Å; L71-V111 HydrophobicContact CD2-CG1 4.15Å; L71-V111 HydrophobicContact CG-CG1 4.37Å; E98-V111 HydrophobicContact CB-CG1 4.46Å; E98-V111 WeakPolarHBondContact O-CG1 3.48Å; R106-V111 PolarHBondContact O-N 2.91Å; V111-K113 VanDerWaalsContact C-N 3.28Å; V111-K113 PolarHBondContact O-N 3.33Å; V111-E114 PolarHBondContact O-N 2.92Å
112G89.3Confident92Very high0 Ų041.7 Ų41.70%021%0.208CC..Hα-helixtrans-61.4-34.3-17900000114.2R106 G107 T110 E114 I115 I116R106-G112 PolarHBondContact O-N 2.97Å; G107-G112 VanDerWaalsContact O-CA 3.25Å; G107-G112 WeakPolarHBondContact O-CA 3.46Å; T110-G112 PolarHBondContact O-N 3.24Å; G112-E114 VanDerWaalsContact C-N 3.25Å; G112-E114 PolarHBondContact O-N 2.7Å; G112-I115 PolarHBondContact O-N 2.69Å; G112-I116 WeakPolarHBondContact O-CB 3.45Å; G112-I116 PolarHBondContact O-N 3.04Å
113K89.6Confident92.2Very high107 Ų10738.9 Ų38.947%0.46519%0.193SC..Hα-helixtrans-67.5-25179.3-70.5-168.4-174.5156.20113.2Y109 T110 V111 I115 I116 L153Y109-K113 WeakPolarHBondContact O-CD 3.38Å; Y109-K113 WeakPolarHBondContact O-CE 3.45Å; Y109-K113 WeakPolarHBondContact O-CG 3.32Å; Y109-K113 PolarHBondContact O-NZ 2.92Å; T110-K113 PolarHBondContact O-N 3.1Å; V111-K113 VanDerWaalsContact C-N 3.28Å; V111-K113 PolarHBondContact O-N 3.33Å; K113-I115 VanDerWaalsContact C-N 3.34Å; K113-I116 WeakPolarHBondContact O-CG2 3.24Å; K113-L153 HydrophobicContact CG-CD2 4.3Å
114E90.4Very high92.2Very high165 Ų16545.3 Ų45.377%0.77122%0.217SC*.Hα-helixtrans-73.7-29.7177.6-59.5-171.7169.400112.2V111 G112V111-E114 PolarHBondContact O-N 2.92Å; G112-E114 VanDerWaalsContact C-N 3.25Å; G112-E114 PolarHBondContact O-N 2.7Å
115I90.6Very high92.1Very high27 Ų2749.3 Ų49.314%0.13823%0.234CC..Hα-helixtrans-102-24-172-58.8-170.7000112.4L71 I94 G112 K113 D117 G118 V119L71-I115 HydrophobicContact CD2-CD1 3.71Å; L71-I115 HydrophobicContact CD2-CG1 4.46Å; I94-I115 HydrophobicContact CG2-CG2 3.88Å; G112-I115 PolarHBondContact O-N 2.69Å; K113-I115 VanDerWaalsContact C-N 3.34Å; I115-D117 VanDerWaalsContact C-N 3.33Å; I115-D117 PolarHBondContact O-N 3.15Å; I115-G118 PolarHBondContact O-N 3.18Å; I115-V119 HydrophobicContact CG2-CG2 3.8Å; I115-V119 PolarHBondContact O-N 3.46Å
116I93.3Very high91.9Very high4 Ų449.9 Ų49.92%0.02124%0.237CC..Hα-helixtrans-56.1-42.2-174.1-17060.8000113.5G112 K113 G118 V119 M120 F150 L153 L154 R157G112-I116 WeakPolarHBondContact O-CB 3.45Å; G112-I116 PolarHBondContact O-N 3.04Å; K113-I116 WeakPolarHBondContact O-CG2 3.24Å; I116-G118 VanDerWaalsContact C-N 3.31Å; I116-G118 PolarHBondContact O-N 2.83Å; I116-V119 PolarHBondContact O-N 2.96Å; I116-M120 HydrophobicContact CD1-CG 4.22Å; I116-M120 HydrophobicContact CG1-CG 4.27Å; I116-M120 WeakPolarHBondContact O-CB 3.26Å; I116-M120 WeakPolarHBondContact O-CG 3.07Å; I116-M120 PolarHBondContact O-N 3.44Å; I116-F150 HydrophobicContact CB-CE2 4.17Å; I116-F150 HydrophobicContact CD1-CE2 3.99Å; I116-F150 HydrophobicContact CD1-CZ 3.82Å; I116-L153 HydrophobicContact CB-CD2 3.93Å; I116-L153 HydrophobicContact CD1-CD2 4.43Å; I116-L153 HydrophobicContact CD1-CG 4.33Å; I116-L153 HydrophobicContact CG1-CD2 4.05Å; I116-L153 HydrophobicContact CG1-CG 4.14Å; I116-L153 HydrophobicContact CG2-CD2 4.19Å; I116-L154 HydrophobicContact CD1-CB 4.23Å; I116-L154 HydrophobicContact CD1-CD1 3.81Å; I116-R157 HydrophobicContact CD1-CG 4.43Å; I116-R157 HydrophobicContact CG1-CG 4.05Å
117D92.5Very high91.8Very high116 Ų11648.2 Ų48.262%0.6223%0.232SC*.Hα-helixtrans-64.1-38.9-179.9-70.4-23.5000111.3I115 E121I115-D117 VanDerWaalsContact C-N 3.33Å; I115-D117 PolarHBondContact O-N 3.15Å; D117-E121 WeakPolarHBondContact O-CB 3.36Å; D117-E121 PolarHBondContact O-N 3.09Å; D117-E121 VanDerWaalsContact O-N 3.07Å
118G91.9Very high91.7Very high41 Ų4154 Ų5442%0.42326%0.263SS..Hα-helixtrans-65.3-40.7175.100000112.2I115 I116 R122I115-G118 PolarHBondContact O-N 3.18Å; I116-G118 VanDerWaalsContact C-N 3.31Å; I116-G118 PolarHBondContact O-N 2.83Å; G118-R122 WeakPolarHBondContact O-CG 3.45Å; G118-R122 PolarHBondContact O-N 3.44Å
119V93.6Very high91.3Very high0 Ų058.5 Ų58.50%028%0.284CS..Hα-helixtrans-66-48.3177.7168.80000110.9L67 V69 I94 I115 I116 E121 R122 I123 F150 L154L67-V119 HydrophobicContact CD2-CG1 3.81Å; V69-V119 HydrophobicContact CB-CG2 4.5Å; V69-V119 HydrophobicContact CG1-CG2 3.7Å; V69-V119 HydrophobicContact CG2-CG1 4.05Å; V69-V119 HydrophobicContact CG2-CG2 3.92Å; I94-V119 HydrophobicContact CD1-CB 4.2Å; I94-V119 HydrophobicContact CD1-CG2 3.59Å; I94-V119 HydrophobicContact CG2-CG2 4.08Å; I115-V119 HydrophobicContact CG2-CG2 3.8Å; I115-V119 PolarHBondContact O-N 3.46Å; I116-V119 PolarHBondContact O-N 2.96Å; V119-E121 VanDerWaalsContact C-N 3.33Å; V119-E121 PolarHBondContact O-N 3.07Å; V119-R122 PolarHBondContact O-N 2.95Å; V119-R122 VanDerWaalsContact O-N 3.1Å; V119-I123 HydrophobicContact CG1-CD1 3.91Å; V119-I123 WeakPolarHBondContact O-CG1 3.41Å; V119-I123 PolarHBondContact O-N 3.39Å; V119-F150 HydrophobicContact CB-CZ 4.15Å; V119-F150 HydrophobicContact CG1-CE1 4.39Å; V119-F150 HydrophobicContact CG1-CZ 4.17Å; V119-F150 HydrophobicContact CG2-CE1 4.43Å; V119-F150 HydrophobicContact CG2-CZ 3.83Å; V119-L154 HydrophobicContact CG1-CD1 4Å
120M94.1Very high91.1Very high20 Ų2056.9 Ų56.910%0.09928%0.28CS..Hα-helixtrans-61.5-39.6178.9-73.4-61.3-67.400112.2I116 R122 I123 R124 L154 R157 L158 D161I116-M120 HydrophobicContact CD1-CG 4.22Å; I116-M120 HydrophobicContact CG1-CG 4.27Å; I116-M120 WeakPolarHBondContact O-CB 3.26Å; I116-M120 WeakPolarHBondContact O-CG 3.07Å; I116-M120 PolarHBondContact O-N 3.44Å; M120-R122 VanDerWaalsContact C-N 3.33Å; M120-R122 PolarHBondContact O-N 3.09Å; M120-I123 PolarHBondContact O-N 3.41Å; M120-I123 HydrophobicContact SD-CD1 4.23Å; M120-R124 WeakPolarHBondContact O-CB 3.23Å; M120-R124 PolarHBondContact O-N 3.36Å; M120-L154 HydrophobicContact SD-CD1 3.85Å; M120-R157 HydrophobicContact CE-CB 4.02Å; M120-R157 HydrophobicContact CG-CB 4.27Å; M120-R157 HydrophobicContact SD-CB 3.87Å; M120-L158 HydrophobicContact CE-CD2 4.31Å; M120-L158 HydrophobicContact SD-CD2 4.14Å; M120-L158 HydrophobicContact SD-CG 4.47Å; M120-D161 HydrophobicContact CE-CB 4.18Å; M120-D161 WeakPolarHBondContact CE-OD2 3.45Å
121E93.5Very high90.8Very high87 Ų8759.9 Ų59.941%0.40730%0.299SS..Hα-helixtrans-63.5-36.8174.9178.758.4-15900112.3D117 V119 R124 K125D117-E121 WeakPolarHBondContact O-CB 3.36Å; D117-E121 PolarHBondContact O-N 3.09Å; D117-E121 VanDerWaalsContact O-N 3.07Å; V119-E121 VanDerWaalsContact C-N 3.33Å; V119-E121 PolarHBondContact O-N 3.07Å; E121-R124 PolarHBondContact O-N 2.98Å; E121-K125 WeakPolarHBondContact O-CG 3.14Å; E121-K125 PolarHBondContact O-N 3.32Å; E121-K125 VanDerWaalsContact O-N 3.07Å; E121-K125 VanDerWaalsContact OE1-CE 3.26Å; E121-K125 WeakPolarHBondContact OE1-CE 3.43Å
122R92.6Very high90.5Very high68 Ų6860.6 Ų60.626%0.25731%0.309SS..Hα-helixtrans-69.4-41.1174.1-62.5-46.3-177.7159.83112L67 E91 I94 G118 V119 M120 R124 K125 M126L67-R122 HydrophobicContact CD1-CB 3.97Å; E91-R122 IonicContact OE1-CZ 2.76Å; E91-R122 IonicContact OE1-NH1 3.9Å; E91-R122 PolarHBondContact OE1-NH1 3.13Å; E91-R122 IonicContact OE1-NH2 2.98Å; E91-R122 IonicContact OE2-NH1 3.65Å; E91-R122 PolarHBondContact OE2-NH1 3.08Å; I94-R122 HydrophobicContact CD1-CB 4.18Å; I94-R122 HydrophobicContact CD1-CG 3.72Å; I94-R122 HydrophobicContact CG1-CG 4.45Å; G118-R122 WeakPolarHBondContact O-CG 3.45Å; G118-R122 PolarHBondContact O-N 3.44Å; V119-R122 PolarHBondContact O-N 2.95Å; V119-R122 VanDerWaalsContact O-N 3.1Å; M120-R122 VanDerWaalsContact C-N 3.33Å; M120-R122 PolarHBondContact O-N 3.09Å; R122-R124 VanDerWaalsContact C-N 3.29Å; R122-R124 PolarHBondContact O-N 2.79Å; R122-K125 PolarHBondContact O-N 3.44Å; R122-M126 WeakPolarHBondContact O-CG 3.27Å; R122-M126 PolarHBondContact O-N 2.68Å; R122-M126 VanDerWaalsContact O-N 3.1Å
123I93.3Very high90.5Very high0 Ų061.3 Ų61.30%031%0.312CS..Hα-helixtrans-58.3-47.8174.4-66.8170.7000109.2I7 L67 V119 M120 K125 M126 T127 F136 L154 L158 Y162I7-I123 HydrophobicContact CD1-CD1 3.71Å; I7-I123 HydrophobicContact CD1-CG1 4.34Å; L67-I123 HydrophobicContact CD2-CD1 4.1Å; L67-I123 HydrophobicContact CD2-CG1 3.67Å; V119-I123 HydrophobicContact CG1-CD1 3.91Å; V119-I123 WeakPolarHBondContact O-CG1 3.41Å; V119-I123 PolarHBondContact O-N 3.39Å; M120-I123 PolarHBondContact O-N 3.41Å; M120-I123 HydrophobicContact SD-CD1 4.23Å; I123-K125 PolarHBondContact O-N 3.22Å; I123-M126 HydrophobicContact CG1-CE 4.35Å; I123-M126 WeakPolarHBondContact O-CB 3.46Å; I123-M126 PolarHBondContact O-N 3.1Å; I123-T127 HydrophobicContact CG2-CG2 4.14Å; I123-T127 WeakPolarHBondContact O-CG2 3.37Å; I123-T127 PolarHBondContact O-N 3.1Å; I123-F136 HydrophobicContact CG2-CE1 3.68Å; I123-F136 HydrophobicContact CG2-CZ 4.17Å; I123-L154 HydrophobicContact CD1-CD1 3.84Å; I123-L158 HydrophobicContact CD1-CD2 4.14Å; I123-L158 HydrophobicContact CG2-CD2 4.14Å; I123-Y162 HydrophobicContact CG2-CE2 4.32Å
124R93.2Very high90.3Very high144 Ų14457.6 Ų57.654%0.54330%0.296SS..Hα-helixtrans-54.9-49.8177.6-171.4177.7-175.6164.16.1112.5M120 E121 R122 M126 T127 D128 Y162M120-R124 WeakPolarHBondContact O-CB 3.23Å; M120-R124 PolarHBondContact O-N 3.36Å; E121-R124 PolarHBondContact O-N 2.98Å; R122-R124 VanDerWaalsContact C-N 3.29Å; R122-R124 PolarHBondContact O-N 2.79Å; R124-M126 VanDerWaalsContact C-N 3.28Å; R124-M126 PolarHBondContact O-N 2.95Å; R124-T127 WeakPolarHBondContact CA-OG1 3.32Å; R124-T127 PolarHBondContact O-N 3.45Å; R124-T127 VanDerWaalsContact O-N 3.07Å; R124-T127 PolarHBondContact O-OG1 3.11Å; R124-D128 PolarHBondContact O-N 3.25Å; R124-Y162 WeakPolarHBondContact CA-OH 3.17Å
125K91.9Very high90.3Very high84 Ų8449.7 Ų49.737%0.36526%0.26SS..Hα-helixtrans-57-39.1175.9-74.3175.4-179.1178.90113.1E121 R122 I123 Q129E121-K125 WeakPolarHBondContact O-CG 3.14Å; E121-K125 PolarHBondContact O-N 3.32Å; E121-K125 VanDerWaalsContact O-N 3.07Å; E121-K125 VanDerWaalsContact OE1-CE 3.26Å; E121-K125 WeakPolarHBondContact OE1-CE 3.43Å; R122-K125 PolarHBondContact O-N 3.44Å; I123-K125 PolarHBondContact O-N 3.22Å; K125-Q129 WeakPolarHBondContact O-CG 3.45Å; K125-Q129 PolarHBondContact O-N 2.9Å
126M89.1Confident90.4Very high12 Ų1248.4 Ų48.46%0.05925%0.253CS..Hα-helixtrans-72.2-37.5176-66.9-172.1-64.800112I5 L67 Q92 R122 I123 R124 D128 Q129 C130I5-M126 HydrophobicContact CD1-CB 3.9Å; I5-M126 HydrophobicContact CG2-CE 3.77Å; I5-M126 HydrophobicContact CG2-SD 4.47Å; L67-M126 HydrophobicContact CB-CE 3.85Å; L67-M126 HydrophobicContact CD1-CE 4.13Å; L67-M126 HydrophobicContact CD2-CE 4.44Å; L67-M126 HydrophobicContact CG-CE 4.39Å; Q92-M126 HydrophobicContact CG-SD 4.32Å; R122-M126 WeakPolarHBondContact O-CG 3.27Å; R122-M126 PolarHBondContact O-N 2.68Å; R122-M126 VanDerWaalsContact O-N 3.1Å; I123-M126 HydrophobicContact CG1-CE 4.35Å; I123-M126 WeakPolarHBondContact O-CB 3.46Å; I123-M126 PolarHBondContact O-N 3.1Å; R124-M126 VanDerWaalsContact C-N 3.28Å; R124-M126 PolarHBondContact O-N 2.95Å; M126-D128 VanDerWaalsContact C-N 3.34Å; M126-Q129 WeakPolarHBondContact O-CB 3.27Å; M126-Q129 PolarHBondContact O-N 3.29Å; M126-C130 PolarHBondContact O-N 3.24Å; M126-C130 PolarHBondContact O-SG 2.83Å
127T90.3Very high90.4Very high15 Ų1548.3 Ų48.39%0.09225%0.253CS..Hα-helixtrans-65.9-36.7175.761.70000112.1I5 I123 R124 Q129 C130 L133 F136 Y162I5-T127 HydrophobicContact CD1-CG2 3.59Å; I123-T127 HydrophobicContact CG2-CG2 4.14Å; I123-T127 WeakPolarHBondContact O-CG2 3.37Å; I123-T127 PolarHBondContact O-N 3.1Å; R124-T127 WeakPolarHBondContact CA-OG1 3.32Å; R124-T127 PolarHBondContact O-N 3.45Å; R124-T127 VanDerWaalsContact O-N 3.07Å; R124-T127 PolarHBondContact O-OG1 3.11Å; T127-Q129 PolarHBondContact O-N 3.49Å; T127-C130 WeakPolarHBondContact O-CB 3.3Å; T127-C130 PolarHBondContact O-N 2.93Å; T127-L133 HydrophobicContact CG2-CD2 3.7Å; T127-F136 HydrophobicContact CG2-CE1 4.14Å; T127-F136 HydrophobicContact CG2-CZ 4.09Å; T127-Y162 HydrophobicContact CG2-CE1 3.84Å; T127-Y162 PolarHBondContact OG1-OH 2.96Å
128D90.1Very high90.6Very high121 Ų12142.8 Ų42.865%0.64722%0.223SC*.Hα-helixtrans-66.7-25.5176.5-70.2-17.9000111.9R124 M126 C130R124-D128 PolarHBondContact O-N 3.25Å; M126-D128 VanDerWaalsContact C-N 3.34Å; D128-C130 VanDerWaalsContact C-N 3.27Å
129Q86.3Confident90.8Very high105 Ų10541 Ų4149%0.49120%0.204SC..THydrogen-bonded Turntrans-80.1-5.3172-67.2171.813.100113.3N55 K125 M126 T127N55-Q129 PolarHBondContact ND2-OE1 2.79Å; K125-Q129 WeakPolarHBondContact O-CG 3.45Å; K125-Q129 PolarHBondContact O-N 2.9Å; M126-Q129 WeakPolarHBondContact O-CB 3.27Å; M126-Q129 PolarHBondContact O-N 3.29Å; T127-Q129 PolarHBondContact O-N 3.49Å
130C86.6Confident90.8Very high19 Ų1941.1 Ų41.113%0.12820%0.204CC..  trans-97.6135.6178.5-60.80000110.2E3 R65 M126 T127 D128 L133E3-C130 HydrophobicContact CB-CB 4.07Å; E3-C130 HydrophobicContact CG-CB 4.29Å; R65-C130 PolarHBondContact NH1-SG 3.44Å; M126-C130 PolarHBondContact O-N 3.24Å; M126-C130 PolarHBondContact O-SG 2.83Å; T127-C130 WeakPolarHBondContact O-CB 3.3Å; T127-C130 PolarHBondContact O-N 2.93Å; D128-C130 VanDerWaalsContact C-N 3.27Å; C130-L133 HydrophobicContact CB-CB 4.22Å
131T85.3Confident90.7Very high112 Ų11240.9 Ų40.969%0.68721%0.205SC*.SBendtrans-84.2-30.1174.762.40000112.2Q1 E3Q1-T131 PolarHBondContact OE1-OG1 3.42Å; E3-T131 PolarHBondContact OE1-N 3.05Å; E3-T131 PolarHBondContact OE1-OG1 3.46Å
132G83.8Confident90.6Very high26 Ų2636.8 Ų36.827%0.26819%0.186SC..SBendtrans-15164.6-177.100000113.1E3 Q134E3-G132 PolarHBondContact N-O 3.15Å; E3-G132 PolarHBondContact OE1-N 3.04Å; E3-G132 VanDerWaalsContact OE2-CA 3.3Å; E3-G132 WeakPolarHBondContact OE2-CA 3.35Å; E3-G132 PolarHBondContact OE2-N 3.27Å; E3-G132 VanDerWaalsContact OE2-O 3.08Å; G132-Q134 PolarHBondContact O-N 2.8Å
133L88.3Confident90.3Very high15 Ų1533.8 Ų33.88%0.07918%0.176CC..EExtended strand (participates in β ladder)trans-54.8120.5176.8-177.472.9000111.1E3 I5 T127 C130 F136 K165E3-L133 WeakPolarHBondContact O-CA 2.96Å; I5-L133 HydrophobicContact CB-CD1 4.48Å; I5-L133 HydrophobicContact CD1-CD1 3.74Å; I5-L133 HydrophobicContact CG1-CD1 3.76Å; T127-L133 HydrophobicContact CG2-CD2 3.7Å; C130-L133 HydrophobicContact CB-CB 4.22Å; L133-F136 HydrophobicContact CD2-CE1 4.26Å; L133-F136 HydrophobicContact CD2-CE2 4.22Å; L133-F136 HydrophobicContact CD2-CZ 3.78Å; L133-K165 HydrophobicContact CD2-CG 4.3Å; L133-K165 WeakPolarHBondContact O-CD 3.39Å; L133-K165 WeakPolarHBondContact O-CE 3.47Å; L133-K165 PolarHBondContact O-NZ 2.86Å
134Q85.3Confident90Very high28 Ų2834.6 Ų34.613%0.13118%0.184CC..EExtended strand (participates in β ladder)trans-79.2-47.6171.9-69-165.9-3900111.2R2 E3 G132 S166 D252 L253R2-Q134 VanDerWaalsContact CB-CD 3.47Å; R2-Q134 HydrophobicContact CB-CG 3.86Å; R2-Q134 HydrophobicContact CG-CG 4.2Å; E3-Q134 PolarHBondContact O-N 2.64Å; G132-Q134 PolarHBondContact O-N 2.8Å; Q134-S166 PolarHBondContact O-N 3.17Å; Q134-D252 PolarHBondContact NE2-OD1 2.78Å; Q134-L253 HydrophobicContact CB-CD1 3.82Å; Q134-L253 HydrophobicContact CB-CG 4.35Å
135G90.3Very high89.9Confident0 Ų027.8 Ų27.80%016%0.159CC..EExtended strand (participates in β ladder)trans177.9-172.3-170.700000115.2I5 S166I5-G135 PolarHBondContact N-O 3.13Å; G135-S166 CarbonylContact C-O 3.55Å; G135-S166 WeakPolarHBondContact CA-O 3.33Å
136F93.5Very high89.9Confident0 Ų024 Ų240%014%0.143CC..EExtended strand (participates in β ladder)trans-115.6138.9179.3-56.1-81.9000110.3I5 I7 I123 T127 L133 V138 L158 Y162 K165 S166 K167 L168I5-F136 HydrophobicContact CB-CD1 3.97Å; I5-F136 HydrophobicContact CB-CE1 4.28Å; I5-F136 HydrophobicContact CD1-CE1 4.1Å; I5-F136 HydrophobicContact CG2-CD1 4.3Å; I5-F136 CarbonylContact O-C 3.43Å; I5-F136 WeakPolarHBondContact O-CA 3.49Å; I7-F136 HydrophobicContact CD1-CB 4.46Å; I7-F136 HydrophobicContact CD1-CD1 3.93Å; I7-F136 HydrophobicContact CD1-CG 4.47Å; I123-F136 HydrophobicContact CG2-CE1 3.68Å; I123-F136 HydrophobicContact CG2-CZ 4.17Å; T127-F136 HydrophobicContact CG2-CE1 4.14Å; T127-F136 HydrophobicContact CG2-CZ 4.09Å; L133-F136 HydrophobicContact CD2-CE1 4.26Å; L133-F136 HydrophobicContact CD2-CE2 4.22Å; L133-F136 HydrophobicContact CD2-CZ 3.78Å; F136-V138 HydrophobicContact CB-CG2 4.44Å; F136-L158 HydrophobicContact CD2-CD2 4.46Å; F136-L158 HydrophobicContact CE1-CD2 4.22Å; F136-L158 HydrophobicContact CE2-CD2 4.11Å; F136-L158 HydrophobicContact CG-CD1 4.41Å; F136-L158 HydrophobicContact CZ-CD2 3.97Å; F136-Y162 HydrophobicContact CE2-CD2 4.09Å; F136-Y162 AromaticContact CE2-CG 3.92Å; F136-Y162 HydrophobicContact CE2-CG 3.92Å; F136-Y162 HydrophobicContact CZ-CD1 4.32Å; F136-Y162 AromaticContact CZ-CD2 3.84Å; F136-Y162 HydrophobicContact CZ-CD2 3.84Å; F136-Y162 HydrophobicContact CZ-CE2 4.21Å; F136-Y162 AromaticContact CZ-CG 3.9Å; F136-Y162 HydrophobicContact CZ-CG 3.9Å; F136-K165 HydrophobicContact CE2-CB 4.25Å; F136-S166 PolarHBondContact N-O 3.3Å; F136-K167 HydrophobicContact CB-CG 4.45Å; F136-K167 HydrophobicContact CD2-CG 4.06Å; F136-L168 PolarHBondContact O-N 2.8Å
137L93.4Very high90.1Very high2 Ų223.5 Ų23.51%0.0114%0.14CC..EExtended strand (participates in β ladder)trans-109.3110.2170.5-56.8174.5000107.4I5 S6 I7 F53 F139 L168 F170 T240 L253I5-L137 PolarHBondContact O-N 2.77Å; S6-L137 CarbonylContact C-O 3.57Å; S6-L137 WeakPolarHBondContact CA-O 3.28Å; I7-L137 PolarHBondContact N-O 2.76Å; F53-L137 HydrophobicContact CE1-CD1 3.74Å; F53-L137 HydrophobicContact CZ-CD1 3.69Å; L137-F139 HydrophobicContact CB-CE2 3.79Å; L137-F139 HydrophobicContact CB-CZ 4.39Å; L137-L168 CarbonylContact C-O 3.49Å; L137-L168 WeakPolarHBondContact CA-O 3.47Å; L137-L168 HydrophobicContact CD2-CB 3.92Å; L137-L168 HydrophobicContact CD2-CD1 3.93Å; L137-L168 HydrophobicContact CD2-CG 4.27Å; L137-F170 HydrophobicContact CD2-CE2 4.35Å; L137-T240 HydrophobicContact CD1-CG2 4.01Å; L137-L253 HydrophobicContact CD2-CD2 4.12Å
138V95.8Very high90.2Very high0 Ų022.8 Ų22.80%014%0.136CC..EExtended strand (participates in β ladder)trans-104.4120.1-174.8-176.10000109.5I7 F136 T151 M155 L168 E169 F170I7-V138 CarbonylContact O-C 3.59Å; I7-V138 WeakPolarHBondContact O-CA 3.5Å; F136-V138 HydrophobicContact CB-CG2 4.44Å; V138-T151 HydrophobicContact CG1-CG2 3.87Å; V138-M155 HydrophobicContact CG2-SD 3.93Å; V138-L168 PolarHBondContact N-O 2.75Å; V138-E169 HydrophobicContact CB-CG 4.32Å; V138-E169 CarbonylContact O-C 3.59Å; V138-E169 WeakPolarHBondContact O-CA 3.2Å; V138-F170 PolarHBondContact O-N 3.15Å
139F95.8Very high90.4Very high4 Ų417 Ų172%0.01811%0.105CC..EExtended strand (participates in β ladder)trans-107.9120.7179.3-62.4-98.3000109I7 H8 V9 T16 L137 F170 V236I7-F139 PolarHBondContact O-N 3.33Å; H8-F139 AromaticContact CE1-CD2 3.18Å; H8-F139 WeakPolarHBondContact CE1-CD2 3.4Å; H8-F139 AromaticContact CE1-CE2 3.53Å; H8-F139 AromaticContact CE1-CG 3.64Å; H8-F139 AromaticContact ND1-CD2 3.39Å; H8-F139 WeakPolarHBondContact ND1-CD2 3.23Å; H8-F139 AromaticContact ND1-CG 3.49Å; H8-F139 WeakPolarHBondContact ND1-CG 3.29Å; H8-F139 AromaticContact NE2-CD2 3.99Å; V9-F139 PolarHBondContact N-O 2.84Å; T16-F139 HydrophobicContact CG2-CD1 4.34Å; L137-F139 HydrophobicContact CB-CE2 3.79Å; L137-F139 HydrophobicContact CB-CZ 4.39Å; F139-F170 HydrophobicContact CD1-CB 3.51Å; F139-F170 AromaticContact CD1-CD2 3.78Å; F139-F170 HydrophobicContact CD1-CD2 3.78Å; F139-F170 AromaticContact CD1-CG 3.83Å; F139-F170 HydrophobicContact CD1-CG 3.83Å; F139-F170 HydrophobicContact CD2-CD2 4.5Å; F139-F170 HydrophobicContact CE1-CB 3.79Å; F139-F170 HydrophobicContact CE1-CD1 4.36Å; F139-F170 AromaticContact CE1-CD2 3.26Å; F139-F170 HydrophobicContact CE1-CD2 3.26Å; F139-F170 AromaticContact CE1-CE2 3.88Å; F139-F170 HydrophobicContact CE1-CE2 3.88Å; F139-F170 AromaticContact CE1-CG 3.54Å; F139-F170 HydrophobicContact CE1-CG 3.54Å; F139-F170 HydrophobicContact CE2-CD2 4.08Å; F139-F170 HydrophobicContact CE2-CE2 4.49Å; F139-F170 HydrophobicContact CG-CB 4.23Å; F139-F170 HydrophobicContact CG-CD2 4.36Å; F139-F170 AromaticContact CZ-CD2 3.44Å; F139-F170 HydrophobicContact CZ-CD2 3.44Å; F139-F170 VanDerWaalsContact CZ-CD2 3.44Å; F139-F170 AromaticContact CZ-CE2 3.71Å; F139-F170 HydrophobicContact CZ-CE2 3.71Å; F139-F170 HydrophobicContact CZ-CG 4.2Å; F139-V236 HydrophobicContact CE1-CB 4.45Å; F139-V236 HydrophobicContact CE1-CG1 3.68Å; F139-V236 HydrophobicContact CE1-CG2 3.87Å; F139-V236 HydrophobicContact CZ-CG1 3.74Å
140H95.2Very high90.8Very high1 Ų112 Ų121%0.0058%0.082CC..EExtended strand (participates in β ladder)trans-155.7175.1-176.775.3116.8000112V9 F142 G147 T151 F170 A171 V172V9-H140 HydrophobicContact CB-CB 4.33Å; H140-F142 AromaticContact CE1-CD1 3.74Å; H140-F142 AromaticContact CE1-CE1 3.69Å; H140-G147 WeakPolarHBondContact CB-O 3.45Å; H140-G147 PolarHBondContact ND1-O 2.87Å; H140-T151 HydrophobicContact CB-CG2 4.18Å; H140-T151 WeakPolarHBondContact CB-OG1 3.36Å; H140-F170 PolarHBondContact N-O 3.49Å; H140-A171 WeakPolarHBondContact O-CA 3.5Å; H140-V172 PolarHBondContact O-N 3.17Å
141S92.4Very high91.2Very high16 Ų1611.1 Ų11.111%0.1128%0.076CC..EExtended strand (participates in β ladder)trans-115.6141.9172.161.60000110.9G143 G144 G147 S148S141-G143 VanDerWaalsContact C-N 3.33Å; S141-G144 PolarHBondContact OG-N 2.93Å; S141-G147 CarbonylContact O-C 3.55Å; S141-G147 WeakPolarHBondContact O-CA 3.37Å; S141-S148 PolarHBondContact O-N 2.97Å
142F90.3Very high91.7Very high1 Ų15.8 Ų5.80%0.0044%0.043CC..SBendtrans-71.4-28.2171.2-69.5-38.4000113.2H140 A171 V172 Y173 N187 A188 T191 M204 W389H140-F142 AromaticContact CE1-CD1 3.74Å; H140-F142 AromaticContact CE1-CE1 3.69Å; F142-A171 HydrophobicContact CD1-CB 4.19Å; F142-A171 HydrophobicContact CD2-CB 4.17Å; F142-A171 HydrophobicContact CE1-CB 3.65Å; F142-A171 HydrophobicContact CE2-CB 3.6Å; F142-A171 HydrophobicContact CG-CB 4.45Å; F142-A171 HydrophobicContact CZ-CB 3.33Å; F142-V172 PolarHBondContact N-O 2.64Å; F142-Y173 HydrophobicContact CD2-CD2 4.24Å; F142-N187 CarbonylContact O-C 3.56Å; F142-N187 WeakPolarHBondContact O-CB 3.43Å; F142-A188 HydrophobicContact CB-CB 3.81Å; F142-A188 PolarHBondContact O-N 3.09Å; F142-T191 HydrophobicContact CB-CG2 4.34Å; F142-T191 HydrophobicContact CD1-CG2 3.4Å; F142-T191 VanDerWaalsContact CD1-CG2 3.4Å; F142-T191 HydrophobicContact CE1-CG2 4.06Å; F142-T191 HydrophobicContact CG-CG2 4.25Å; F142-M204 HydrophobicContact CE2-CG 4.22Å; F142-W389 HydrophobicContact CE2-CH2 4.36Å; F142-W389 HydrophobicContact CZ-CH2 4.42Å
143G85.6Confident92.2Very high5 Ų55 Ų55%0.0523%0.032CC..SBendtrans-79.8-34.6-174.700000115.4S141 N187S141-G143 VanDerWaalsContact C-N 3.33Å; G143-N187 PolarHBondContact O-ND2 3.32Å
144G88.4Confident92.5Very high16 Ų164.2 Ų4.217%0.1653%0.029CC..SBendtrans-78.3149.6-174.900000113.2S141 G147 S148S141-G144 PolarHBondContact OG-N 2.93Å; G144-G147 PolarHBondContact O-N 2.82Å; G144-S148 VanDerWaalsContact O-CB 3.22Å; G144-S148 WeakPolarHBondContact O-CB 3.45Å; G144-S148 PolarHBondContact O-N 3.46Å; G144-S148 PolarHBondContact O-OG 3.42Å
145G90.4Very high92.9Very high2 Ų22.9 Ų2.92%0.0212%0.022CC..Hα-helixtrans-64.8-43.7-179.900000113A100 S148 G149A100-G145 VanDerWaalsContact CB-C 3.5Å; G145-S148 PolarHBondContact O-OG 3.33Å; G145-G149 PolarHBondContact O-N 3.27Å
146T92.6Very high93.1Very high5 Ų55.5 Ų5.53%0.0313%0.034CC..Iπ-helixtrans-68.7-49.2173.8-56.20000111V9 L71 S148 F150V9-T146 HydrophobicContact CG1-CG2 4.04Å; L71-T146 HydrophobicContact CB-CG2 4.45Å; L71-T146 HydrophobicContact CD1-CG2 4.18Å; L71-T146 WeakPolarHBondContact CD1-OG1 3.41Å; L71-T146 HydrophobicContact CG-CG2 3.75Å; T146-S148 PolarHBondContact O-N 2.96Å; T146-F150 HydrophobicContact CG2-CB 4.21Å; T146-F150 WeakPolarHBondContact O-CB 3.42Å; T146-F150 PolarHBondContact O-N 3.45Å; T146-F150 VanDerWaalsContact O-N 3.11Å
147G91.9Very high93.1Very high1 Ų110.7 Ų10.71%0.015%0.054CC..Iπ-helixtrans-63.5-26.7-177.800000114.3H140 S141 G144 T151H140-G147 WeakPolarHBondContact CB-O 3.45Å; H140-G147 PolarHBondContact ND1-O 2.87Å; S141-G147 CarbonylContact O-C 3.55Å; S141-G147 WeakPolarHBondContact O-CA 3.37Å; G144-G147 PolarHBondContact O-N 2.82Å; G147-T151 WeakPolarHBondContact O-CB 3.43Å; G147-T151 PolarHBondContact O-OG1 3.36Å
148S93.1Very high93.1Very high0 Ų010.6 Ų10.60%05%0.054CC..Iπ-helixtrans-91-68.8175.359.40000110.6S141 G144 G145 T146 T151 S152 T191S141-S148 PolarHBondContact O-N 2.97Å; G144-S148 VanDerWaalsContact O-CB 3.22Å; G144-S148 WeakPolarHBondContact O-CB 3.45Å; G144-S148 PolarHBondContact O-N 3.46Å; G144-S148 PolarHBondContact O-OG 3.42Å; G145-S148 PolarHBondContact O-OG 3.33Å; T146-S148 PolarHBondContact O-N 2.96Å; S148-T151 PolarHBondContact O-N 3.39Å; S148-S152 PolarHBondContact O-N 2.91Å; S148-S152 PolarHBondContact O-OG 3.14Å; S148-T191 PolarHBondContact O-OG1 3.46Å
149G93.6Very high93Very high0 Ų011.9 Ų11.90%06%0.062CC..Iπ-helixtrans-63.3-47.7-171.200000114.6Y104 G107 H108 G145 T151 S152 L153Y104-G149 VanDerWaalsContact CE2-CA 3.44Å; G107-G149 CarbonylContact O-C 3.5Å; H108-G149 PolarHBondContact ND1-O 2.9Å; G145-G149 PolarHBondContact O-N 3.27Å; G149-T151 VanDerWaalsContact C-N 3.34Å; G149-S152 PolarHBondContact O-N 3.24Å; G149-L153 PolarHBondContact O-N 3.37Å; G149-L153 VanDerWaalsContact O-N 3.16Å
150F95.2Very high92.8Very high0 Ų018 Ų180%09%0.094CC..Iπ-helixtrans-69.8-35.3-179.9-174.5-96.8000111.4V9 V69 L71 G107 I116 V119 T146 L153 L154V9-F150 HydrophobicContact CG1-CB 4.37Å; V9-F150 HydrophobicContact CG1-CD1 3.7Å; V9-F150 HydrophobicContact CG2-CD1 4.48Å; V69-F150 HydrophobicContact CB-CE1 4.32Å; V69-F150 HydrophobicContact CG1-CD1 4.28Å; V69-F150 HydrophobicContact CG1-CE1 3.63Å; V69-F150 HydrophobicContact CG1-CZ 4.02Å; L71-F150 HydrophobicContact CD2-CD2 4.47Å; G107-F150 WeakPolarHBondContact O-CA 3.28Å; G107-F150 PolarHBondContact O-N 3.2Å; I116-F150 HydrophobicContact CB-CE2 4.17Å; I116-F150 HydrophobicContact CD1-CE2 3.99Å; I116-F150 HydrophobicContact CD1-CZ 3.82Å; V119-F150 HydrophobicContact CB-CZ 4.15Å; V119-F150 HydrophobicContact CG1-CE1 4.39Å; V119-F150 HydrophobicContact CG1-CZ 4.17Å; V119-F150 HydrophobicContact CG2-CE1 4.43Å; V119-F150 HydrophobicContact CG2-CZ 3.83Å; T146-F150 HydrophobicContact CG2-CB 4.21Å; T146-F150 WeakPolarHBondContact O-CB 3.42Å; T146-F150 PolarHBondContact O-N 3.45Å; T146-F150 VanDerWaalsContact O-N 3.11Å; F150-L153 PolarHBondContact O-N 3.28Å; F150-L154 HydrophobicContact CE1-CB 4.45Å; F150-L154 HydrophobicContact CE1-CD2 4.43Å; F150-L154 VanDerWaalsContact O-CB 3.29Å; F150-L154 WeakPolarHBondContact O-CB 3.46Å; F150-L154 PolarHBondContact O-N 2.81Å
151T95.8Very high92.7Very high0 Ų023.2 Ų23.20%012%0.122CC..Hα-helixtrans-63.6-45.7175.4-57.40000111.5V9 V138 H140 G147 S148 G149 L153 L154 M155V9-T151 WeakPolarHBondContact CG1-OG1 3.42Å; V138-T151 HydrophobicContact CG1-CG2 3.87Å; H140-T151 HydrophobicContact CB-CG2 4.18Å; H140-T151 WeakPolarHBondContact CB-OG1 3.36Å; G147-T151 WeakPolarHBondContact O-CB 3.43Å; G147-T151 PolarHBondContact O-OG1 3.36Å; S148-T151 PolarHBondContact O-N 3.39Å; G149-T151 VanDerWaalsContact C-N 3.34Å; T151-L153 VanDerWaalsContact C-N 3.35Å; T151-L153 PolarHBondContact O-N 3.24Å; T151-L154 WeakPolarHBondContact O-CB 3.4Å; T151-L154 PolarHBondContact O-N 3.44Å; T151-L154 VanDerWaalsContact O-N 3.13Å; T151-M155 HydrophobicContact CG2-CG 4.16Å; T151-M155 WeakPolarHBondContact O-CB 3.47Å; T151-M155 VanDerWaalsContact O-CG 3.29Å; T151-M155 WeakPolarHBondContact O-CG 3.43Å; T151-M155 PolarHBondContact O-N 2.73Å
152S94.3Very high92.6Very high0 Ų024.4 Ų24.40%013%0.125CC..Hα-helixtrans-56-49.1175.2-67.30000112Y104 S148 G149 L154 M155 E156 T191 T194Y104-S152 WeakPolarHBondContact OH-CB 3.41Å; S148-S152 PolarHBondContact O-N 2.91Å; S148-S152 PolarHBondContact O-OG 3.14Å; G149-S152 PolarHBondContact O-N 3.24Å; S152-L154 VanDerWaalsContact C-N 3.3Å; S152-L154 PolarHBondContact O-N 3.49Å; S152-M155 PolarHBondContact O-N 2.89Å; S152-E156 PolarHBondContact O-N 3.47Å; S152-E156 VanDerWaalsContact O-N 3.1Å; S152-T191 WeakPolarHBondContact OG-CA 3.33Å; S152-T191 PolarHBondContact OG-OG1 2.85Å; S152-T194 WeakPolarHBondContact CB-OG1 3.46Å; S152-T194 PolarHBondContact OG-OG1 2.94Å
153L94.8Very high92.4Very high8 Ų827 Ų274%0.04215%0.151CC..Hα-helixtrans-60.4-40.6176.5-179.365.7000111.9H108 K113 I116 G149 F150 T151 R157H108-L153 PolarHBondContact ND1-N 2.82Å; K113-L153 HydrophobicContact CG-CD2 4.3Å; I116-L153 HydrophobicContact CB-CD2 3.93Å; I116-L153 HydrophobicContact CD1-CD2 4.43Å; I116-L153 HydrophobicContact CD1-CG 4.33Å; I116-L153 HydrophobicContact CG1-CD2 4.05Å; I116-L153 HydrophobicContact CG1-CG 4.14Å; I116-L153 HydrophobicContact CG2-CD2 4.19Å; G149-L153 PolarHBondContact O-N 3.37Å; G149-L153 VanDerWaalsContact O-N 3.16Å; F150-L153 PolarHBondContact O-N 3.28Å; T151-L153 VanDerWaalsContact C-N 3.35Å; T151-L153 PolarHBondContact O-N 3.24Å; L153-R157 VanDerWaalsContact O-CG 3.3Å; L153-R157 WeakPolarHBondContact O-CG 3.38Å; L153-R157 PolarHBondContact O-N 3.09Å
154L95.1Very high92.4Very high0 Ų036.6 Ų36.60%019%0.192CC..Hα-helixtrans-66.6-41.7178.7-178.964.8000111.8I7 V9 I116 V119 M120 I123 F150 T151 S152 R157 L158I7-L154 HydrophobicContact CD1-CD2 4.28Å; I7-L154 HydrophobicContact CG2-CD2 3.81Å; V9-L154 HydrophobicContact CG2-CD2 4.22Å; I116-L154 HydrophobicContact CD1-CB 4.23Å; I116-L154 HydrophobicContact CD1-CD1 3.81Å; V119-L154 HydrophobicContact CG1-CD1 4Å; M120-L154 HydrophobicContact SD-CD1 3.85Å; I123-L154 HydrophobicContact CD1-CD1 3.84Å; F150-L154 HydrophobicContact CE1-CB 4.45Å; F150-L154 HydrophobicContact CE1-CD2 4.43Å; F150-L154 VanDerWaalsContact O-CB 3.29Å; F150-L154 WeakPolarHBondContact O-CB 3.46Å; F150-L154 PolarHBondContact O-N 2.81Å; T151-L154 WeakPolarHBondContact O-CB 3.4Å; T151-L154 PolarHBondContact O-N 3.44Å; T151-L154 VanDerWaalsContact O-N 3.13Å; S152-L154 VanDerWaalsContact C-N 3.3Å; S152-L154 PolarHBondContact O-N 3.49Å; L154-R157 PolarHBondContact O-N 3.32Å; L154-L158 HydrophobicContact CD1-CD1 4.29Å; L154-L158 HydrophobicContact CD1-CG 4.16Å; L154-L158 HydrophobicContact CD2-CD1 4.41Å; L154-L158 HydrophobicContact CG-CD1 3.91Å; L154-L158 HydrophobicContact CG-CG 4.21Å; L154-L158 WeakPolarHBondContact O-CB 2.94Å; L154-L158 VanDerWaalsContact O-CG 3.26Å; L154-L158 WeakPolarHBondContact O-CG 3.49Å; L154-L158 PolarHBondContact O-N 3.45Å
155M94.5Very high92.5Very high0 Ų039.4 Ų39.40%020%0.199CC..Hα-helixtrans-65.9-38.2-179.9-72.4-66-72.300112.1V138 T151 S152 S159 K167 E169 T195 H198V138-M155 HydrophobicContact CG2-SD 3.93Å; T151-M155 HydrophobicContact CG2-CG 4.16Å; T151-M155 WeakPolarHBondContact O-CB 3.47Å; T151-M155 VanDerWaalsContact O-CG 3.29Å; T151-M155 WeakPolarHBondContact O-CG 3.43Å; T151-M155 PolarHBondContact O-N 2.73Å; S152-M155 PolarHBondContact O-N 2.89Å; M155-S159 WeakPolarHBondContact O-CB 3.29Å; M155-S159 PolarHBondContact O-N 3.44Å; M155-S159 PolarHBondContact O-OG 3.49Å; M155-K167 HydrophobicContact CE-CB 3.8Å; M155-K167 HydrophobicContact CE-CD 4.09Å; M155-K167 HydrophobicContact CE-CG 4.44Å; M155-K167 HydrophobicContact SD-CB 4.46Å; M155-K167 HydrophobicContact SD-CD 4.4Å; M155-E169 HydrophobicContact CE-CG 4.26Å; M155-E169 VanDerWaalsContact CE-OE1 3.28Å; M155-E169 WeakPolarHBondContact CE-OE1 3.34Å; M155-T195 HydrophobicContact CB-CG2 4.29Å; M155-T195 HydrophobicContact CG-CG2 4.18Å; M155-H198 HydrophobicContact CB-CB 4.02Å; M155-H198 HydrophobicContact CE-CB 4.32Å
156E93.3Very high92.5Very high54 Ų5439.6 Ų39.625%0.25220%0.201SC..Hα-helixtrans-58.3-51.4170.4-74.1170.6-160.800111.1H108 S152 L158 S159 L160 H198H108-E156 IonicContact CE1-OE1 3.06Å; H108-E156 PolarHBondContact CE1-OE1 2.88Å; H108-E156 IonicContact CE1-OE2 3.95Å; H108-E156 IonicContact NE2-OE1 3.46Å; S152-E156 PolarHBondContact O-N 3.47Å; S152-E156 VanDerWaalsContact O-N 3.1Å; E156-L158 PolarHBondContact O-N 3.05Å; E156-S159 PolarHBondContact O-N 2.8Å; E156-L160 WeakPolarHBondContact O-CG 3.24Å; E156-L160 PolarHBondContact O-N 3.41Å; E156-H198 WeakPolarHBondContact CG-NE2 3.33Å
157R93.8Very high92.5Very high110 Ų11039.8 Ų39.842%0.41520%0.201SC..Hα-helixtrans-65.1-40.9-179-66.3-63.3-176.91592.9112.8I116 M120 L153 L154 S159 L160 D161I116-R157 HydrophobicContact CD1-CG 4.43Å; I116-R157 HydrophobicContact CG1-CG 4.05Å; M120-R157 HydrophobicContact CE-CB 4.02Å; M120-R157 HydrophobicContact CG-CB 4.27Å; M120-R157 HydrophobicContact SD-CB 3.87Å; L153-R157 VanDerWaalsContact O-CG 3.3Å; L153-R157 WeakPolarHBondContact O-CG 3.38Å; L153-R157 PolarHBondContact O-N 3.09Å; L154-R157 PolarHBondContact O-N 3.32Å; R157-S159 VanDerWaalsContact C-N 3.28Å; R157-S159 PolarHBondContact O-N 3.45Å; R157-L160 PolarHBondContact O-N 2.88Å; R157-D161 PolarHBondContact O-N 3.25Å
158L93.7Very high92.6Very high0 Ų039.8 Ų39.80%020%0.201CC..Hα-helixtrans-63.6-35.5174.5-74.3177.1000111.8I7 M120 I123 F136 L154 E156 Y162 K167I7-L158 HydrophobicContact CD1-CD1 3.92Å; M120-L158 HydrophobicContact CE-CD2 4.31Å; M120-L158 HydrophobicContact SD-CD2 4.14Å; M120-L158 HydrophobicContact SD-CG 4.47Å; I123-L158 HydrophobicContact CD1-CD2 4.14Å; I123-L158 HydrophobicContact CG2-CD2 4.14Å; F136-L158 HydrophobicContact CD2-CD2 4.46Å; F136-L158 HydrophobicContact CE1-CD2 4.22Å; F136-L158 HydrophobicContact CE2-CD2 4.11Å; F136-L158 HydrophobicContact CG-CD1 4.41Å; F136-L158 HydrophobicContact CZ-CD2 3.97Å; L154-L158 HydrophobicContact CD1-CD1 4.29Å; L154-L158 HydrophobicContact CD1-CG 4.16Å; L154-L158 HydrophobicContact CD2-CD1 4.41Å; L154-L158 HydrophobicContact CG-CD1 3.91Å; L154-L158 HydrophobicContact CG-CG 4.21Å; L154-L158 WeakPolarHBondContact O-CB 2.94Å; L154-L158 VanDerWaalsContact O-CG 3.26Å; L154-L158 WeakPolarHBondContact O-CG 3.49Å; L154-L158 PolarHBondContact O-N 3.45Å; E156-L158 PolarHBondContact O-N 3.05Å; L158-Y162 HydrophobicContact CD2-CD2 3.99Å; L158-Y162 HydrophobicContact CD2-CE2 4.37Å; L158-Y162 CarbonylContact O-C 3.02Å; L158-Y162 VanDerWaalsContact O-CA 3.25Å; L158-Y162 WeakPolarHBondContact O-CA 3.39Å; L158-Y162 WeakPolarHBondContact O-CB 3.16Å; L158-Y162 PolarHBondContact O-N 3.42Å; L158-K167 HydrophobicContact CB-CD 4.18Å
159S93.1Very high92.6Very high26 Ų2639.8 Ų39.818%0.18220%0.201CC..Hα-helixtrans-70.8-35.2176.7-62.10000112.3M155 E156 R157 G163 K167 H198M155-S159 WeakPolarHBondContact O-CB 3.29Å; M155-S159 PolarHBondContact O-N 3.44Å; M155-S159 PolarHBondContact O-OG 3.49Å; E156-S159 PolarHBondContact O-N 2.8Å; R157-S159 VanDerWaalsContact C-N 3.28Å; R157-S159 PolarHBondContact O-N 3.45Å; S159-G163 WeakPolarHBondContact O-CA 3.35Å; S159-G163 PolarHBondContact O-N 3.44Å; S159-G163 VanDerWaalsContact O-N 3.1Å; S159-K167 WeakPolarHBondContact OG-CE 3.38Å; S159-H198 WeakPolarHBondContact OG-CB 3.43Å; S159-H198 PolarHBondContact OG-ND1 2.63Å
160L92.4Very high92.6Very high132 Ų13240.2 Ų40.269%0.69120%0.203SC*.Hα-helixtrans-66.2-47.9174.5-68.8173.2000112.4E156 R157E156-L160 WeakPolarHBondContact O-CG 3.24Å; E156-L160 PolarHBondContact O-N 3.41Å; R157-L160 PolarHBondContact O-N 2.88Å
161D92.3Very high92.4Very high111 Ų11140.2 Ų40.259%0.59420%0.203SC*.Hα-helixtrans-83.9-34.6-175.4-72.6-10.2000112.8M120 R157M120-D161 HydrophobicContact CE-CB 4.18Å; M120-D161 WeakPolarHBondContact CE-OD2 3.45Å; R157-D161 PolarHBondContact O-N 3.25Å
162Y90.8Very high92.2Very high42 Ų4240.9 Ų40.917%0.16521%0.207CC..Hα-helixtrans-127.838.9-172.1-56-82.5000113.3I123 R124 T127 F136 L158 K164 K165I123-Y162 HydrophobicContact CG2-CE2 4.32Å; R124-Y162 WeakPolarHBondContact CA-OH 3.17Å; T127-Y162 HydrophobicContact CG2-CE1 3.84Å; T127-Y162 PolarHBondContact OG1-OH 2.96Å; F136-Y162 HydrophobicContact CE2-CD2 4.09Å; F136-Y162 AromaticContact CE2-CG 3.92Å; F136-Y162 HydrophobicContact CE2-CG 3.92Å; F136-Y162 HydrophobicContact CZ-CD1 4.32Å; F136-Y162 AromaticContact CZ-CD2 3.84Å; F136-Y162 HydrophobicContact CZ-CD2 3.84Å; F136-Y162 HydrophobicContact CZ-CE2 4.21Å; F136-Y162 AromaticContact CZ-CG 3.9Å; F136-Y162 HydrophobicContact CZ-CG 3.9Å; L158-Y162 HydrophobicContact CD2-CD2 3.99Å; L158-Y162 HydrophobicContact CD2-CE2 4.37Å; L158-Y162 CarbonylContact O-C 3.02Å; L158-Y162 VanDerWaalsContact O-CA 3.25Å; L158-Y162 WeakPolarHBondContact O-CA 3.39Å; L158-Y162 WeakPolarHBondContact O-CB 3.16Å; L158-Y162 PolarHBondContact O-N 3.42Å; Y162-K164 PolarHBondContact O-N 3.06Å; Y162-K165 WeakPolarHBondContact O-CB 3.42Å; Y162-K165 PolarHBondContact O-N 3.33Å
163G84.8Confident91.9Very high54 Ų5441.1 Ų41.156%0.55721%0.208SC*.THydrogen-bonded Turntrans-56.3-21-174.100000117S159S159-G163 WeakPolarHBondContact O-CA 3.35Å; S159-G163 PolarHBondContact O-N 3.44Å; S159-G163 VanDerWaalsContact O-N 3.1Å
164K87.4Confident91.2Very high208 Ų20841.4 Ų41.490%0.90421%0.21SC*.THydrogen-bonded Turntrans-86.6-7.1176.2-64.4-173-179.5-1790114.5Y162Y162-K164 PolarHBondContact O-N 3.06Å
165K90.3Very high90.1Very high74 Ų7441.5 Ų41.532%0.32221%0.211SC..SBendtrans-95.4139.4-174.9-58.9-58.9-175.6178.10109.9L133 F136 Y162 K167L133-K165 HydrophobicContact CD2-CG 4.3Å; L133-K165 WeakPolarHBondContact O-CD 3.39Å; L133-K165 WeakPolarHBondContact O-CE 3.47Å; L133-K165 PolarHBondContact O-NZ 2.86Å; F136-K165 HydrophobicContact CE2-CB 4.25Å; Y162-K165 WeakPolarHBondContact O-CB 3.42Å; Y162-K165 PolarHBondContact O-N 3.33Å; K165-K167 PolarHBondContact O-NZ 3.23Å
166S90.2Very high88.5Confident7 Ų745.1 Ų45.15%0.04923%0.234CC..EExtended strand (participates in β ladder)trans-69138179.6-60.90000110.5Q134 G135 F136 D200Q134-S166 PolarHBondContact O-N 3.17Å; G135-S166 CarbonylContact C-O 3.55Å; G135-S166 WeakPolarHBondContact CA-O 3.33Å; F136-S166 PolarHBondContact N-O 3.3Å; S166-D200 WeakPolarHBondContact CA-OD2 3.48Å
167K93.3Very high87Confident8 Ų849.1 Ų49.14%0.03525%0.253CS..EExtended strand (participates in β ladder)trans-124.1114.8177.4-64.8163.9-61.6-66.50107.9F136 M155 L158 S159 K165 H198 D200F136-K167 HydrophobicContact CB-CG 4.45Å; F136-K167 HydrophobicContact CD2-CG 4.06Å; M155-K167 HydrophobicContact CE-CB 3.8Å; M155-K167 HydrophobicContact CE-CD 4.09Å; M155-K167 HydrophobicContact CE-CG 4.44Å; M155-K167 HydrophobicContact SD-CB 4.46Å; M155-K167 HydrophobicContact SD-CD 4.4Å; L158-K167 HydrophobicContact CB-CD 4.18Å; S159-K167 WeakPolarHBondContact OG-CE 3.38Å; K165-K167 PolarHBondContact O-NZ 3.23Å; K167-H198 WeakPolarHBondContact CE-O 3.28Å; K167-D200 PolarHBondContact N-OD2 3.01Å; K167-D200 IonicContact NZ-OD2 3.98Å; K167-D200 WeakPolarHBondContact O-CB 3.18Å; K167-D200 PolarHBondContact O-N 3.42Å
168L92.3Very high85.5Confident2 Ų245.6 Ų45.61%0.0124%0.244CC..EExtended strand (participates in β ladder)trans-108.5137.4176-57.2-176.1000109.9F136 L137 V138 C201 F203 L253 F256F136-L168 PolarHBondContact O-N 2.8Å; L137-L168 CarbonylContact C-O 3.49Å; L137-L168 WeakPolarHBondContact CA-O 3.47Å; L137-L168 HydrophobicContact CD2-CB 3.92Å; L137-L168 HydrophobicContact CD2-CD1 3.93Å; L137-L168 HydrophobicContact CD2-CG 4.27Å; V138-L168 PolarHBondContact N-O 2.75Å; L168-C201 CarbonylContact C-O 3.5Å; L168-C201 VanDerWaalsContact CA-O 3.28Å; L168-C201 WeakPolarHBondContact CA-O 3.39Å; L168-C201 HydrophobicContact CD2-CB 3.56Å; L168-F203 HydrophobicContact CB-CE2 4.5Å; L168-F203 HydrophobicContact CD1-CE2 4.2Å; L168-L253 HydrophobicContact CD1-CD2 3.48Å; L168-L253 VanDerWaalsContact CD1-CD2 3.48Å; L168-L253 HydrophobicContact CG-CD2 4.38Å; L168-F256 HydrophobicContact CD1-CD2 4.44Å
169E93.9Very high84.1Confident0 Ų047.8 Ų47.80%026%0.259CS..EExtended strand (participates in β ladder)trans-108.9140.8179.3-67.9171.2156.300110.9V138 M155 S199 C201 A202 F203V138-E169 HydrophobicContact CB-CG 4.32Å; V138-E169 CarbonylContact O-C 3.59Å; V138-E169 WeakPolarHBondContact O-CA 3.2Å; M155-E169 HydrophobicContact CE-CG 4.26Å; M155-E169 VanDerWaalsContact CE-OE1 3.28Å; M155-E169 WeakPolarHBondContact CE-OE1 3.34Å; E169-S199 WeakPolarHBondContact CG-OG 3.39Å; E169-S199 VanDerWaalsContact OE2-CB 3.24Å; E169-S199 WeakPolarHBondContact OE2-CB 3.49Å; E169-S199 PolarHBondContact OE2-OG 3.29Å; E169-C201 PolarHBondContact N-O 2.93Å; E169-A202 HydrophobicContact CB-CB 3.96Å; E169-F203 WeakPolarHBondContact O-CD2 3.44Å; E169-F203 PolarHBondContact O-N 2.88Å
170F93.4Very high83Confident9 Ų951.9 Ų51.94%0.03928%0.283CS..EExtended strand (participates in β ladder)trans-113.997.8164-68.6-83000106.8L137 V138 F139 H140 F203 V236 I239L137-F170 HydrophobicContact CD2-CE2 4.35Å; V138-F170 PolarHBondContact O-N 3.15Å; F139-F170 HydrophobicContact CD1-CB 3.51Å; F139-F170 AromaticContact CD1-CD2 3.78Å; F139-F170 HydrophobicContact CD1-CD2 3.78Å; F139-F170 AromaticContact CD1-CG 3.83Å; F139-F170 HydrophobicContact CD1-CG 3.83Å; F139-F170 HydrophobicContact CD2-CD2 4.5Å; F139-F170 HydrophobicContact CE1-CB 3.79Å; F139-F170 HydrophobicContact CE1-CD1 4.36Å; F139-F170 AromaticContact CE1-CD2 3.26Å; F139-F170 HydrophobicContact CE1-CD2 3.26Å; F139-F170 AromaticContact CE1-CE2 3.88Å; F139-F170 HydrophobicContact CE1-CE2 3.88Å; F139-F170 AromaticContact CE1-CG 3.54Å; F139-F170 HydrophobicContact CE1-CG 3.54Å; F139-F170 HydrophobicContact CE2-CD2 4.08Å; F139-F170 HydrophobicContact CE2-CE2 4.49Å; F139-F170 HydrophobicContact CG-CB 4.23Å; F139-F170 HydrophobicContact CG-CD2 4.36Å; F139-F170 AromaticContact CZ-CD2 3.44Å; F139-F170 HydrophobicContact CZ-CD2 3.44Å; F139-F170 VanDerWaalsContact CZ-CD2 3.44Å; F139-F170 AromaticContact CZ-CE2 3.71Å; F139-F170 HydrophobicContact CZ-CE2 3.71Å; F139-F170 HydrophobicContact CZ-CG 4.2Å; H140-F170 PolarHBondContact N-O 3.49Å; F170-F203 HydrophobicContact CD1-CB 3.81Å; F170-F203 AromaticContact CD1-CD2 3.88Å; F170-F203 HydrophobicContact CD1-CD2 3.88Å; F170-F203 HydrophobicContact CD1-CG 4.19Å; F170-F203 HydrophobicContact CE1-CB 4.04Å; F170-F203 AromaticContact CE1-CD2 3.44Å; F170-F203 HydrophobicContact CE1-CD2 3.44Å; F170-F203 VanDerWaalsContact CE1-CD2 3.44Å; F170-F203 HydrophobicContact CE1-CE2 4.15Å; F170-F203 AromaticContact CE1-CG 3.93Å; F170-F203 HydrophobicContact CE1-CG 3.93Å; F170-F203 HydrophobicContact CE2-CD2 4.36Å; F170-F203 HydrophobicContact CG-CD2 4.49Å; F170-F203 AromaticContact CZ-CD2 3.72Å; F170-F203 HydrophobicContact CZ-CD2 3.72Å; F170-F203 HydrophobicContact CZ-CE2 4.06Å; F170-V236 HydrophobicContact CD1-CG2 3.91Å; F170-V236 HydrophobicContact CE1-CG2 3.93Å; F170-V236 HydrophobicContact CG-CG2 4.4Å; F170-V236 HydrophobicContact CZ-CG1 4.33Å; F170-V236 HydrophobicContact CZ-CG2 4.44Å; F170-I239 HydrophobicContact CE1-CD1 3.79Å; F170-I239 HydrophobicContact CZ-CD1 4.42Å; F170-I239 HydrophobicContact CZ-CG2 4.22Å
171A91.5Very high82.4Confident0 Ų046 Ų460%025%0.254CS..EExtended strand (participates in β ladder)trans-105.6117.1-170.600000110.5H140 F142 Y173 F203 V205H140-A171 WeakPolarHBondContact O-CA 3.5Å; F142-A171 HydrophobicContact CD1-CB 4.19Å; F142-A171 HydrophobicContact CD2-CB 4.17Å; F142-A171 HydrophobicContact CE1-CB 3.65Å; F142-A171 HydrophobicContact CE2-CB 3.6Å; F142-A171 HydrophobicContact CG-CB 4.45Å; F142-A171 HydrophobicContact CZ-CB 3.33Å; A171-Y173 PolarHBondContact O-N 3.01Å; A171-F203 PolarHBondContact N-O 3.39Å; A171-V205 PolarHBondContact O-N 2.98Å
172V90.7Very high82.1Confident14 Ų1445.7 Ų45.79%0.08526%0.255CS..EExtended strand (participates in β ladder)trans-76.5113174-176.70000109.2H140 F142 V205 N207H140-V172 PolarHBondContact O-N 3.17Å; F142-V172 PolarHBondContact N-O 2.64Å; V172-V205 CarbonylContact C-O 3.59Å; V172-V205 WeakPolarHBondContact CA-O 3.42Å; V172-N207 VanDerWaalsContact CG1-ND2 3.28Å; V172-N207 WeakPolarHBondContact CG1-ND2 3.39Å; V172-N207 VanDerWaalsContact CG1-OD1 3.29Å; V172-N207 WeakPolarHBondContact CG1-OD1 3.2Å
173Y88Confident82.1Confident5 Ų544.6 Ų44.62%0.0225%0.253CS..EExtended strand (participates in β ladder)trans-79.7133.9179.3-178.4-87.5000110.8F142 A171 A175 M204 V205 D206 A388 L392F142-Y173 HydrophobicContact CD2-CD2 4.24Å; A171-Y173 PolarHBondContact O-N 3.01Å; Y173-A175 PolarHBondContact O-N 3.48Å; Y173-M204 HydrophobicContact CD2-CE 3.52Å; Y173-M204 HydrophobicContact CE2-CE 4.03Å; Y173-M204 HydrophobicContact CG-CE 4.11Å; Y173-V205 PolarHBondContact N-O 2.82Å; Y173-D206 HydrophobicContact CD1-CB 4.39Å; Y173-A388 HydrophobicContact CE2-CB 4.46Å; Y173-A388 PolarHBondContact OH-O 3.12Å; Y173-L392 HydrophobicContact CD2-CD1 4.36Å; Y173-L392 HydrophobicContact CE2-CD1 3.52Å
174P80.8Confident82.3Confident14 Ų1442.8 Ų42.89%0.09123%0.23CC..PPolyproline II helixtrans-73.3128.1-17528.6-34.3000111.6E184 A188 L392P174-E184 HydrophobicContact CB-CB 3.98Å; P174-E184 HydrophobicContact CB-CG 4.47Å; P174-E184 WeakPolarHBondContact CB-OE2 3.31Å; P174-E184 HydrophobicContact CG-CB 4.48Å; P174-A188 HydrophobicContact CG-CB 4.34Å; P174-L392 HydrophobicContact CG-CD1 4.26Å
175A71.6Confident82.5Confident2 Ų233.6 Ų33.62%0.01719%0.192CC..PPolyproline II helixtrans-103.9127.2179.200000110.9Y173 Q177 V178 S179 N207 E208Y173-A175 PolarHBondContact O-N 3.48Å; A175-Q177 PolarHBondContact O-N 2.95Å; A175-Q177 VanDerWaalsContact O-N 3.1Å; A175-V178 HydrophobicContact CB-CB 4.47Å; A175-V178 CarbonylContact O-C 3.47Å; A175-V178 PolarHBondContact O-N 2.84Å; A175-V178 VanDerWaalsContact O-N 3.11Å; A175-S179 WeakPolarHBondContact O-CA 3.4Å; A175-S179 VanDerWaalsContact O-CB 3.23Å; A175-S179 WeakPolarHBondContact O-CB 3.16Å; A175-S179 PolarHBondContact O-N 3.33Å; A175-N207 HydrophobicContact CB-CB 3.9Å; A175-E208 HydrophobicContact CB-CB 3.66Å; A175-E208 HydrophobicContact CB-CG 4.4Å
176P61.3Low82.7Confident76 Ų7630.1 Ų30.149%0.49418%0.176SC..THydrogen-bonded Turntrans-58.9-27-177.117.9-27.5000114.9E208P176-E208 WeakPolarHBondContact CD-OE2 3.37Å
177Q61.1Low82.8Confident137 Ų13729.8 Ų29.864%0.6417%0.174SC*.THydrogen-bonded Turntrans-81.7-23.8-179.2-61.6-176.410.300113.6A175 E208A175-Q177 PolarHBondContact O-N 2.95Å; A175-Q177 VanDerWaalsContact O-N 3.1Å; Q177-E208 PolarHBondContact NE2-OE1 2.82Å
178V62.6Low82.8Confident37 Ų3729.4 Ų29.422%0.22417%0.172CC..THydrogen-bonded Turntrans-115.71.3-175.8-164.20000111A175 T180A175-V178 HydrophobicContact CB-CB 4.47Å; A175-V178 CarbonylContact O-C 3.47Å; A175-V178 PolarHBondContact O-N 2.84Å; A175-V178 VanDerWaalsContact O-N 3.11Å; V178-T180 PolarHBondContact O-N 3.38Å
179S64.5Low82.8Confident46 Ų4629.3 Ų29.332%0.32217%0.172SC..  trans-64.1128.4-179.7-177.60000110.4A175 A181 E184A175-S179 WeakPolarHBondContact O-CA 3.4Å; A175-S179 VanDerWaalsContact O-CB 3.23Å; A175-S179 WeakPolarHBondContact O-CB 3.16Å; A175-S179 PolarHBondContact O-N 3.33Å; S179-A181 PolarHBondContact OG-O 3.13Å; S179-A181 VanDerWaalsContact OG-O 3.05Å; S179-E184 VanDerWaalsContact CB-OE2 3.27Å; S179-E184 WeakPolarHBondContact CB-OE2 3.47Å; S179-E184 PolarHBondContact OG-OE1 3.07Å; S179-E184 VanDerWaalsContact OG-OE1 3.05Å; S179-E184 PolarHBondContact OG-OE2 2.81Å
180T70.4Confident82.9Confident112 Ų11229.4 Ų29.469%0.68717%0.173SC*.  trans-98.3-18177.558.60000111.4V178 E184V178-T180 PolarHBondContact O-N 3.38Å; T180-E184 PolarHBondContact N-OE1 3.13Å; T180-E184 VanDerWaalsContact N-OE1 3.09Å
181A79.3Confident82.9Confident9 Ų929 Ų297%0.07417%0.171CC..  trans-123.4131.4-178.300000112.8N102 S179 V183 E184N102-A181 HydrophobicContact CB-CB 3.85Å; S179-A181 PolarHBondContact OG-O 3.13Å; S179-A181 VanDerWaalsContact OG-O 3.05Å; A181-V183 PolarHBondContact O-N 3.14Å; A181-E184 HydrophobicContact CB-CG 3.8Å; A181-E184 PolarHBondContact N-OE1 3.34Å; A181-E184 VanDerWaalsContact N-OE1 3.11Å; A181-E184 VanDerWaalsContact O-CG 3.23Å; A181-E184 WeakPolarHBondContact O-CG 3.27Å; A181-E184 PolarHBondContact O-N 2.94Å
182V85.9Confident83Confident103 Ų10329 Ų2962%0.62417%0.171SC*.THydrogen-bonded Turntrans-66-26.9179.1-176.70000112F405V182-F405 HydrophobicContact CG1-CE2 3.93Å; V182-F405 HydrophobicContact CG1-CZ 4.32Å
183V90.7Very high83.1Confident20 Ų2030.2 Ų30.212%0.12118%0.176CC..THydrogen-bonded Turntrans-937.1-175.1-60.10000114N102 A181 P185 Y186 N187 F405 Y409N102-V183 HydrophobicContact CB-CG2 4.35Å; N102-V183 VanDerWaalsContact O-CG2 3.23Å; N102-V183 WeakPolarHBondContact O-CG2 3.07Å; A181-V183 PolarHBondContact O-N 3.14Å; V183-P185 VanDerWaalsContact C-CD 3.41Å; V183-P185 VanDerWaalsContact C-N 3.31Å; V183-Y186 HydrophobicContact CB-CD2 4.34Å; V183-Y186 HydrophobicContact CG1-CD2 4.45Å; V183-Y186 WeakPolarHBondContact O-CB 3.42Å; V183-Y186 PolarHBondContact O-N 3.3Å; V183-N187 PolarHBondContact O-N 3.24Å; V183-F405 HydrophobicContact CG1-CB 3.69Å; V183-F405 HydrophobicContact CG1-CD1 4.19Å; V183-F405 HydrophobicContact CG1-CD2 3.98Å; V183-F405 HydrophobicContact CG1-CG 3.69Å; V183-Y409 WeakPolarHBondContact CB-OH 3.4Å
184E90Very high83.3Confident16 Ų1631.3 Ų31.38%0.07518%0.183CC..Hα-helixtrans-52.6-39.3177.8-72.3174.1-166.900114P174 S179 T180 A181 Y186 N187 A188P174-E184 HydrophobicContact CB-CB 3.98Å; P174-E184 HydrophobicContact CB-CG 4.47Å; P174-E184 WeakPolarHBondContact CB-OE2 3.31Å; P174-E184 HydrophobicContact CG-CB 4.48Å; S179-E184 VanDerWaalsContact CB-OE2 3.27Å; S179-E184 WeakPolarHBondContact CB-OE2 3.47Å; S179-E184 PolarHBondContact OG-OE1 3.07Å; S179-E184 VanDerWaalsContact OG-OE1 3.05Å; S179-E184 PolarHBondContact OG-OE2 2.81Å; T180-E184 PolarHBondContact N-OE1 3.13Å; T180-E184 VanDerWaalsContact N-OE1 3.09Å; A181-E184 HydrophobicContact CB-CG 3.8Å; A181-E184 PolarHBondContact N-OE1 3.34Å; A181-E184 VanDerWaalsContact N-OE1 3.11Å; A181-E184 VanDerWaalsContact O-CG 3.23Å; A181-E184 WeakPolarHBondContact O-CG 3.27Å; A181-E184 PolarHBondContact O-N 2.94Å; E184-Y186 VanDerWaalsContact C-N 3.29Å; E184-Y186 PolarHBondContact O-N 3.2Å; E184-N187 PolarHBondContact O-N 2.98Å; E184-A188 WeakPolarHBondContact O-CB 3.33Å; E184-A188 PolarHBondContact O-N 2.82Å
185P91.6Very high83.9Confident15 Ų1530.7 Ų30.710%0.09718%0.179CC..Hα-helixtrans-62.2-33.6176.6-21.832.3000113.4V183 I189 K395 M399V183-P185 VanDerWaalsContact C-CD 3.41Å; V183-P185 VanDerWaalsContact C-N 3.31Å; P185-I189 WeakPolarHBondContact O-CG1 3.17Å; P185-I189 PolarHBondContact O-N 3.23Å; P185-I189 VanDerWaalsContact O-N 3.13Å; P185-K395 HydrophobicContact CB-CB 4.1Å; P185-K395 HydrophobicContact CG-CB 3.94Å; P185-K395 HydrophobicContact CG-CD 4.17Å; P185-M399 HydrophobicContact CB-CE 3.58Å; P185-M399 HydrophobicContact CG-CE 3.6Å
186Y93.3Very high84.8Confident0 Ų031 Ų310%018%0.18CC..Hα-helixtrans-66.1-49.1174.8-72.1-33.2000111.6V183 E184 A188 I189 L190 F396 M399 Y400 A404 F405 Y409 F419V183-Y186 HydrophobicContact CB-CD2 4.34Å; V183-Y186 HydrophobicContact CG1-CD2 4.45Å; V183-Y186 WeakPolarHBondContact O-CB 3.42Å; V183-Y186 PolarHBondContact O-N 3.3Å; E184-Y186 VanDerWaalsContact C-N 3.29Å; E184-Y186 PolarHBondContact O-N 3.2Å; Y186-A188 PolarHBondContact O-N 3.05Å; Y186-I189 PolarHBondContact O-N 3.48Å; Y186-L190 WeakPolarHBondContact O-CB 3.43Å; Y186-L190 VanDerWaalsContact O-CG 3.23Å; Y186-L190 WeakPolarHBondContact O-CG 3.38Å; Y186-L190 PolarHBondContact O-N 2.84Å; Y186-L190 VanDerWaalsContact O-N 3.09Å; Y186-F396 AromaticContact CD1-CD2 3.34Å; Y186-F396 HydrophobicContact CD1-CD2 3.34Å; Y186-F396 AromaticContact CD1-CE2 3.41Å; Y186-F396 HydrophobicContact CD1-CE2 3.41Å; Y186-F396 VanDerWaalsContact CD1-CE2 3.41Å; Y186-F396 HydrophobicContact CD1-CG 4.21Å; Y186-F396 HydrophobicContact CD1-CZ 4.29Å; Y186-F396 AromaticContact CE1-CD2 3.72Å; Y186-F396 HydrophobicContact CE1-CD2 3.72Å; Y186-F396 AromaticContact CE1-CE2 3.77Å; Y186-F396 HydrophobicContact CE1-CE2 3.77Å; Y186-F396 HydrophobicContact CE1-CG 4.19Å; Y186-F396 HydrophobicContact CE1-CZ 4.26Å; Y186-M399 HydrophobicContact CD1-CE 4.24Å; Y186-M399 HydrophobicContact CD2-CE 4.37Å; Y186-M399 HydrophobicContact CE1-CB 4.17Å; Y186-M399 HydrophobicContact CE1-CE 4.18Å; Y186-M399 HydrophobicContact CE2-CB 4.26Å; Y186-M399 HydrophobicContact CE2-CE 4.3Å; Y186-M399 HydrophobicContact CG-CE 4.34Å; Y186-M399 VanDerWaalsContact OH-CB 3.22Å; Y186-M399 WeakPolarHBondContact OH-CB 3.28Å; Y186-M399 PolarHBondContact OH-O 3.11Å; Y186-Y400 WeakPolarHBondContact OH-CA 3.45Å; Y186-Y400 PolarHBondContact OH-N 3.29Å; Y186-A404 VanDerWaalsContact CE2-O 3.25Å; Y186-A404 WeakPolarHBondContact CE2-O 3.36Å; Y186-A404 PolarHBondContact OH-O 2.91Å; Y186-F405 HydrophobicContact CE2-CB 4.37Å; Y186-Y409 WeakPolarHBondContact CB-OH 3.44Å; Y186-Y409 AromaticContact CD2-CE2 3.95Å; Y186-Y409 HydrophobicContact CD2-CE2 3.95Å; Y186-F419 HydrophobicContact CD1-CD1 4.25Å; Y186-F419 AromaticContact CD1-CE1 3.97Å; Y186-F419 HydrophobicContact CD1-CE1 3.97Å; Y186-F419 HydrophobicContact CD2-CE1 4.46Å; Y186-F419 HydrophobicContact CE1-CE1 4.46Å; Y186-F419 AromaticContact CG-CE1 3.98Å; Y186-F419 HydrophobicContact CG-CE1 3.98Å
187N93.6Very high86.1Confident0 Ų035.5 Ų35.50%020%0.195CC..Hα-helixtrans-59.6-40.2179.6-64.5-17000111.4N102 Y104 F142 G143 V183 E184 T191 Y409N102-N187 PolarHBondContact O-ND2 2.85Å; Y104-N187 WeakPolarHBondContact CB-OD1 3.41Å; Y104-N187 PolarHBondContact N-OD1 3.11Å; Y104-N187 VanDerWaalsContact N-OD1 3.15Å; F142-N187 CarbonylContact O-C 3.56Å; F142-N187 WeakPolarHBondContact O-CB 3.43Å; G143-N187 PolarHBondContact O-ND2 3.32Å; V183-N187 PolarHBondContact O-N 3.24Å; E184-N187 PolarHBondContact O-N 2.98Å; N187-T191 WeakPolarHBondContact O-CB 3.46Å; N187-T191 WeakPolarHBondContact O-CG2 3.34Å; N187-T191 PolarHBondContact O-N 2.64Å; N187-Y409 WeakPolarHBondContact OD1-CE1 3.47Å; N187-Y409 PolarHBondContact OD1-OH 3.43Å
188A92.1Very high87.5Confident0 Ų031.1 Ų31.10%017%0.174CC..Hα-helixtrans-66.2-45.7179.600000113.1F142 P174 E184 Y186 T191 T192 L392F142-A188 HydrophobicContact CB-CB 3.81Å; F142-A188 PolarHBondContact O-N 3.09Å; P174-A188 HydrophobicContact CG-CB 4.34Å; E184-A188 WeakPolarHBondContact O-CB 3.33Å; E184-A188 PolarHBondContact O-N 2.82Å; Y186-A188 PolarHBondContact O-N 3.05Å; A188-T191 WeakPolarHBondContact O-CG2 3.27Å; A188-T192 WeakPolarHBondContact O-CB 3.46Å; A188-T192 PolarHBondContact O-N 3.05Å; A188-T192 PolarHBondContact O-OG1 3.24Å; A188-L392 HydrophobicContact CB-CD1 3.55Å; A188-L392 HydrophobicContact CB-CD2 4.03Å; A188-L392 HydrophobicContact CB-CG 4.3Å
189I93.4Very high88.9Confident0 Ų029.7 Ų29.70%017%0.166CC..Hα-helixtrans-62.3-47.3176.4-67.3-152.6000110.9P185 Y186 T191 T192 H193 L392 D393 F396 A422 L426P185-I189 WeakPolarHBondContact O-CG1 3.17Å; P185-I189 PolarHBondContact O-N 3.23Å; P185-I189 VanDerWaalsContact O-N 3.13Å; Y186-I189 PolarHBondContact O-N 3.48Å; I189-T191 PolarHBondContact O-N 2.8Å; I189-T192 PolarHBondContact O-N 2.85Å; I189-H193 WeakPolarHBondContact O-CB 3.44Å; I189-H193 PolarHBondContact O-N 2.76Å; I189-L392 HydrophobicContact CB-CD2 4.4Å; I189-L392 HydrophobicContact CD1-CD2 3.84Å; I189-L392 HydrophobicContact CG1-CD2 3.15Å; I189-D393 VanDerWaalsContact CD1-OD1 3.31Å; I189-D393 WeakPolarHBondContact CD1-OD1 3.4Å; I189-F396 HydrophobicContact CB-CD2 3.96Å; I189-F396 HydrophobicContact CB-CE2 4.11Å; I189-F396 HydrophobicContact CD1-CB 3.45Å; I189-F396 VanDerWaalsContact CD1-CB 3.45Å; I189-F396 HydrophobicContact CD1-CD1 4.11Å; I189-F396 HydrophobicContact CD1-CD2 3.37Å; I189-F396 HydrophobicContact CD1-CE2 4.07Å; I189-F396 HydrophobicContact CD1-CG 3.39Å; I189-F396 HydrophobicContact CG1-CB 4.31Å; I189-F396 HydrophobicContact CG1-CD2 3.76Å; I189-F396 HydrophobicContact CG1-CE2 4.38Å; I189-F396 HydrophobicContact CG1-CG 4.25Å; I189-F396 HydrophobicContact CG2-CD2 4.31Å; I189-F396 HydrophobicContact CG2-CE2 4.09Å; I189-A422 HydrophobicContact CG2-CB 3.72Å; I189-L426 HydrophobicContact CB-CD2 4.17Å; I189-L426 HydrophobicContact CD1-CD2 3.93Å; I189-L426 HydrophobicContact CG1-CD2 3.73Å; I189-L426 HydrophobicContact CG2-CD1 4.33Å; I189-L426 HydrophobicContact CG2-CD2 4.09Å
190L94.3Very high90.1Very high3 Ų329.1 Ų29.12%0.01616%0.159CC..Hα-helixtrans-64.5-41.9-176.1-66.4171.8000112.5Y104 Y186 T194 Y409 M414 F419 A422Y104-L190 HydrophobicContact CD1-CB 3.94Å; Y104-L190 HydrophobicContact CD1-CD1 3.75Å; Y104-L190 HydrophobicContact CD1-CG 4.44Å; Y104-L190 HydrophobicContact CD2-CB 3.89Å; Y104-L190 HydrophobicContact CE1-CB 4.03Å; Y104-L190 HydrophobicContact CE1-CD1 4.45Å; Y104-L190 HydrophobicContact CE2-CB 3.97Å; Y104-L190 HydrophobicContact CG-CB 3.9Å; Y104-L190 HydrophobicContact CG-CD1 3.92Å; Y186-L190 WeakPolarHBondContact O-CB 3.43Å; Y186-L190 VanDerWaalsContact O-CG 3.23Å; Y186-L190 WeakPolarHBondContact O-CG 3.38Å; Y186-L190 PolarHBondContact O-N 2.84Å; Y186-L190 VanDerWaalsContact O-N 3.09Å; L190-T194 PolarHBondContact O-N 3.02Å; L190-T194 PolarHBondContact O-OG1 2.86Å; L190-Y409 HydrophobicContact CD1-CD1 4.14Å; L190-Y409 HydrophobicContact CD1-CE1 4.09Å; L190-M414 HydrophobicContact CD1-CE 3.59Å; L190-M414 HydrophobicContact CD1-SD 3.97Å; L190-M414 HydrophobicContact CD2-CE 3.36Å; L190-M414 HydrophobicContact CG-CE 4.11Å; L190-F419 HydrophobicContact CD1-CD1 4.41Å; L190-F419 HydrophobicContact CD1-CE1 3.84Å; L190-F419 HydrophobicContact CD1-CZ 4.18Å; L190-F419 HydrophobicContact CD2-CD1 4.34Å; L190-F419 HydrophobicContact CG-CE1 4.48Å; L190-A422 HydrophobicContact CD2-CB 3.88Å
191T94.4Very high91.1Very high0 Ų023.8 Ų23.80%013%0.126CC..Hα-helixtrans-70.7-41.7177.4-168.30000111.9F142 S148 S152 N187 A188 I189 H193 T194 T195F142-T191 HydrophobicContact CB-CG2 4.34Å; F142-T191 HydrophobicContact CD1-CG2 3.4Å; F142-T191 VanDerWaalsContact CD1-CG2 3.4Å; F142-T191 HydrophobicContact CE1-CG2 4.06Å; F142-T191 HydrophobicContact CG-CG2 4.25Å; S148-T191 PolarHBondContact O-OG1 3.46Å; S152-T191 WeakPolarHBondContact OG-CA 3.33Å; S152-T191 PolarHBondContact OG-OG1 2.85Å; N187-T191 WeakPolarHBondContact O-CB 3.46Å; N187-T191 WeakPolarHBondContact O-CG2 3.34Å; N187-T191 PolarHBondContact O-N 2.64Å; A188-T191 WeakPolarHBondContact O-CG2 3.27Å; I189-T191 PolarHBondContact O-N 2.8Å; T191-H193 VanDerWaalsContact C-N 3.34Å; T191-H193 PolarHBondContact O-N 3.31Å; T191-T194 PolarHBondContact O-N 2.92Å; T191-T194 PolarHBondContact O-OG1 2.74Å; T191-T194 VanDerWaalsContact O-OG1 3.11Å; T191-T195 WeakPolarHBondContact O-CB 3.29Å; T191-T195 WeakPolarHBondContact O-CG2 3.28Å; T191-T195 PolarHBondContact O-N 2.83Å; T191-T195 PolarHBondContact O-OG1 3.24Å
192T92.9Very high91.7Very high1 Ų123.3 Ų23.31%0.00612%0.123CC..Hα-helixtrans-60.3-45.3176.4-61.80000111.1A188 I189 T194 T195 L196 F268 W389 L426A188-T192 WeakPolarHBondContact O-CB 3.46Å; A188-T192 PolarHBondContact O-N 3.05Å; A188-T192 PolarHBondContact O-OG1 3.24Å; I189-T192 PolarHBondContact O-N 2.85Å; T192-T194 PolarHBondContact O-N 2.9Å; T192-T195 PolarHBondContact O-N 3.49Å; T192-L196 VanDerWaalsContact O-CB 3.28Å; T192-L196 WeakPolarHBondContact O-CB 3.47Å; T192-L196 PolarHBondContact O-N 3.07Å; T192-F268 HydrophobicContact CG2-CZ 4.19Å; T192-W389 HydrophobicContact CG2-CH2 3.49Å; T192-W389 VanDerWaalsContact CG2-CH2 3.49Å; T192-W389 HydrophobicContact CG2-CZ2 4.29Å; T192-W389 HydrophobicContact CG2-CZ3 3.66Å; T192-W389 WeakPolarHBondContact OG1-CH2 3.46Å; T192-W389 WeakPolarHBondContact OG1-CZ3 3.4Å; T192-L426 HydrophobicContact CG2-CD1 4.05Å
193H93.6Very high91.9Very high39 Ų3918.5 Ų18.518%0.1819%0.093CC..Hα-helixtrans-57.1-49.4178.2170.456.1000112.5I189 T191 A422 D425 L426I189-H193 WeakPolarHBondContact O-CB 3.44Å; I189-H193 PolarHBondContact O-N 2.76Å; T191-H193 VanDerWaalsContact C-N 3.34Å; T191-H193 PolarHBondContact O-N 3.31Å; H193-A422 HydrophobicContact CB-CB 3.58Å; H193-D425 IonicContact CE1-OD2 3.62Å; H193-D425 IonicContact CG-OD2 2.71Å; H193-D425 WeakPolarHBondContact ND1-CB 3.39Å; H193-D425 IonicContact ND1-OD2 2.88Å; H193-D425 PolarHBondContact ND1-OD2 2.91Å; H193-L426 HydrophobicContact CB-CD1 4.37Å
194T91.8Very high91.9Very high28 Ų2817.5 Ų17.517%0.1729%0.087CC..Hα-helixtrans-74.3-31.9-177.547.90000113.6Y104 S152 L190 T191 T192 H198Y104-T194 WeakPolarHBondContact OH-CG2 3.41Å; Y104-T194 PolarHBondContact OH-OG1 2.78Å; S152-T194 WeakPolarHBondContact CB-OG1 3.46Å; S152-T194 PolarHBondContact OG-OG1 2.94Å; L190-T194 PolarHBondContact O-N 3.02Å; L190-T194 PolarHBondContact O-OG1 2.86Å; T191-T194 PolarHBondContact O-N 2.92Å; T191-T194 PolarHBondContact O-OG1 2.74Å; T191-T194 VanDerWaalsContact O-OG1 3.11Å; T192-T194 PolarHBondContact O-N 2.9Å; T194-H198 PolarHBondContact O-CD2 3.35Å; T194-H198 VanDerWaalsContact O-CD2 3.29Å
195T93Very high91.9Very high1 Ų117.1 Ų17.11%0.0069%0.086CC..Hα-helixtrans-85.2-15.2178.4650000113.5M155 T191 T192 E197 H198 S199M155-T195 HydrophobicContact CB-CG2 4.29Å; M155-T195 HydrophobicContact CG-CG2 4.18Å; T191-T195 WeakPolarHBondContact O-CB 3.29Å; T191-T195 WeakPolarHBondContact O-CG2 3.28Å; T191-T195 PolarHBondContact O-N 2.83Å; T191-T195 PolarHBondContact O-OG1 3.24Å; T192-T195 PolarHBondContact O-N 3.49Å; T195-E197 VanDerWaalsContact C-N 3.28Å; T195-E197 PolarHBondContact O-N 3.28Å; T195-H198 CarbonylContact O-C 3.52Å; T195-H198 PolarHBondContact O-N 3.13Å; T195-S199 WeakPolarHBondContact O-CB 3.28Å; T195-S199 PolarHBondContact O-N 3.01Å
196L90.6Very high91.7Very high9 Ų916.6 Ų16.65%0.0478%0.082CC..THydrogen-bonded Turntrans-57.3-37.7-174.9-163.771.5000113.3T192 H198 H267 F268 L429T192-L196 VanDerWaalsContact O-CB 3.28Å; T192-L196 WeakPolarHBondContact O-CB 3.47Å; T192-L196 PolarHBondContact O-N 3.07Å; L196-H198 VanDerWaalsContact C-N 3.34Å; L196-H267 PolarHBondContact O-CE1 2.72Å; L196-H267 VanDerWaalsContact O-CE1 3.31Å; L196-F268 HydrophobicContact CD1-CE2 3.61Å; L196-F268 HydrophobicContact CD1-CZ 3.71Å; L196-L429 HydrophobicContact CD1-CD2 4.33Å
197E88.9Confident91.3Very high170 Ų17017.8 Ų17.879%0.7949%0.089SC*.THydrogen-bonded Turntrans-82.9-14.1179.2-60.8-166.2160.700113.4T195T195-E197 VanDerWaalsContact C-N 3.28Å; T195-E197 PolarHBondContact O-N 3.28Å
198H91.5Very high90.9Very high44 Ų4419 Ų1920%0.2049%0.094CC..THydrogen-bonded Turntrans-107.9-23.2-172.4-63-33.6000112.8M155 E156 S159 K167 T194 T195 L196M155-H198 HydrophobicContact CB-CB 4.02Å; M155-H198 HydrophobicContact CE-CB 4.32Å; E156-H198 WeakPolarHBondContact CG-NE2 3.33Å; S159-H198 WeakPolarHBondContact OG-CB 3.43Å; S159-H198 PolarHBondContact OG-ND1 2.63Å; K167-H198 WeakPolarHBondContact CE-O 3.28Å; T194-H198 PolarHBondContact O-CD2 3.35Å; T194-H198 VanDerWaalsContact O-CD2 3.29Å; T195-H198 CarbonylContact O-C 3.52Å; T195-H198 PolarHBondContact O-N 3.13Å; L196-H198 VanDerWaalsContact C-N 3.34Å
199S90.4Very high90.7Very high8 Ų819.2 Ų19.26%0.05610%0.096CC..  trans-87135.9178.4-165.90000111.2E169 T195E169-S199 WeakPolarHBondContact CG-OG 3.39Å; E169-S199 VanDerWaalsContact OE2-CB 3.24Å; E169-S199 WeakPolarHBondContact OE2-CB 3.49Å; E169-S199 PolarHBondContact OE2-OG 3.29Å; T195-S199 WeakPolarHBondContact O-CB 3.28Å; T195-S199 PolarHBondContact O-N 3.01Å
200D90.6Very high90.5Very high33 Ų3319.2 Ų19.218%0.17610%0.096CC..SBendtrans-86.4-31.3174.6-67-72.9000111.7S166 K167 Q257S166-D200 WeakPolarHBondContact CA-OD2 3.48Å; K167-D200 PolarHBondContact N-OD2 3.01Å; K167-D200 IonicContact NZ-OD2 3.98Å; K167-D200 WeakPolarHBondContact O-CB 3.18Å; K167-D200 PolarHBondContact O-N 3.42Å; D200-Q257 PolarHBondContact OD1-NE2 2.92Å
201C90.4Very high90.1Very high0 Ų021.4 Ų21.40%010%0.104CC..EExtended strand (participates in β ladder)trans-166.1131.7177.3168.70000110.9L168 E169 V261 H267 P269L168-C201 CarbonylContact C-O 3.5Å; L168-C201 VanDerWaalsContact CA-O 3.28Å; L168-C201 WeakPolarHBondContact CA-O 3.39Å; L168-C201 HydrophobicContact CD2-CB 3.56Å; E169-C201 PolarHBondContact N-O 2.93Å; C201-V261 HydrophobicContact CB-CG2 4.02Å; C201-H267 WeakPolarHBondContact CA-O 3.29Å; C201-P269 VanDerWaalsContact SG-CG 3.52Å
202A91.9Very high89.8Confident0 Ų023.3 Ų23.30%012%0.115CC..EExtended strand (participates in β ladder)trans-123.4111.4-173.200000111E169 M204 H267 F268 P269E169-A202 HydrophobicContact CB-CB 3.96Å; A202-M204 PolarHBondContact O-N 2.91Å; A202-H267 PolarHBondContact N-O 3.46Å; A202-F268 HydrophobicContact CB-CD1 3.66Å; A202-F268 HydrophobicContact CB-CE1 3.67Å; A202-F268 WeakPolarHBondContact O-CA 3.33Å; A202-P269 WeakPolarHBondContact O-CD 3.33Å
203F91.8Very high89.6Confident1 Ų123.4 Ų23.40%0.00412%0.115CC..EExtended strand (participates in β ladder)trans-81.2108.4174.6-58.2-71.8000109.6L168 E169 F170 A171 I239 L260 P269 V271 L379L168-F203 HydrophobicContact CB-CE2 4.5Å; L168-F203 HydrophobicContact CD1-CE2 4.2Å; E169-F203 WeakPolarHBondContact O-CD2 3.44Å; E169-F203 PolarHBondContact O-N 2.88Å; F170-F203 HydrophobicContact CD1-CB 3.81Å; F170-F203 AromaticContact CD1-CD2 3.88Å; F170-F203 HydrophobicContact CD1-CD2 3.88Å; F170-F203 HydrophobicContact CD1-CG 4.19Å; F170-F203 HydrophobicContact CE1-CB 4.04Å; F170-F203 AromaticContact CE1-CD2 3.44Å; F170-F203 HydrophobicContact CE1-CD2 3.44Å; F170-F203 VanDerWaalsContact CE1-CD2 3.44Å; F170-F203 HydrophobicContact CE1-CE2 4.15Å; F170-F203 AromaticContact CE1-CG 3.93Å; F170-F203 HydrophobicContact CE1-CG 3.93Å; F170-F203 HydrophobicContact CE2-CD2 4.36Å; F170-F203 HydrophobicContact CG-CD2 4.49Å; F170-F203 AromaticContact CZ-CD2 3.72Å; F170-F203 HydrophobicContact CZ-CD2 3.72Å; F170-F203 HydrophobicContact CZ-CE2 4.06Å; A171-F203 PolarHBondContact N-O 3.39Å; F203-I239 HydrophobicContact CD1-CD1 4.42Å; F203-I239 HydrophobicContact CE2-CG2 4.23Å; F203-I239 HydrophobicContact CG-CD1 4.5Å; F203-I239 HydrophobicContact CZ-CG2 4.17Å; F203-L260 HydrophobicContact CE1-CD1 4.35Å; F203-P269 HydrophobicContact CD1-CB 4.5Å; F203-P269 HydrophobicContact CD1-CG 3.55Å; F203-P269 HydrophobicContact CE1-CB 4.39Å; F203-P269 HydrophobicContact CE1-CG 3.47Å; F203-P269 VanDerWaalsContact CE1-CG 3.47Å; F203-P269 HydrophobicContact CZ-CG 4.45Å; F203-V271 HydrophobicContact CB-CG2 4.08Å; F203-V271 HydrophobicContact CD1-CG2 3.76Å; F203-V271 HydrophobicContact CG-CG2 4.31Å; F203-L379 HydrophobicContact CD1-CD2 4.06Å; F203-L379 HydrophobicContact CE1-CD1 3.92Å; F203-L379 HydrophobicContact CE1-CD2 3.81Å; F203-L379 HydrophobicContact CE1-CG 4.39Å; F203-L379 HydrophobicContact CZ-CD1 4.31Å
204M90.1Very high89.2Confident0 Ų021.5 Ų21.50%011%0.106CC..EExtended strand (participates in β ladder)trans-80.1134.9175.2-72.5178.946.200111.3F142 Y173 A202 F268 V304 I385 A388 W389F142-M204 HydrophobicContact CE2-CG 4.22Å; Y173-M204 HydrophobicContact CD2-CE 3.52Å; Y173-M204 HydrophobicContact CE2-CE 4.03Å; Y173-M204 HydrophobicContact CG-CE 4.11Å; A202-M204 PolarHBondContact O-N 2.91Å; M204-F268 HydrophobicContact CG-CD1 4.14Å; M204-F268 HydrophobicContact SD-CB 4.28Å; M204-F268 HydrophobicContact SD-CD1 3.96Å; M204-F268 HydrophobicContact SD-CG 4.37Å; M204-V304 HydrophobicContact CB-CG2 3.88Å; M204-V304 HydrophobicContact CE-CG1 4.43Å; M204-V304 WeakPolarHBondContact O-CG2 3.41Å; M204-I385 HydrophobicContact CE-CD1 4.27Å; M204-I385 HydrophobicContact CE-CG1 4.35Å; M204-I385 HydrophobicContact SD-CD1 3.71Å; M204-I385 HydrophobicContact SD-CG1 4.23Å; M204-A388 HydrophobicContact CE-CB 4.15Å; M204-W389 HydrophobicContact CE-CZ2 4.43Å; M204-W389 HydrophobicContact SD-CH2 4.11Å; M204-W389 HydrophobicContact SD-CZ2 3.47Å; M204-W389 WeakPolarHBondContact SD-CZ2 3.47Å
205V88.9Confident89Confident8 Ų827.2 Ų27.25%0.04813%0.125CC..EExtended strand (participates in β ladder)trans-128.9107.4-179.3-178.30000109.1A171 V172 Y173 I210 I232A171-V205 PolarHBondContact O-N 2.98Å; V172-V205 CarbonylContact C-O 3.59Å; V172-V205 WeakPolarHBondContact CA-O 3.42Å; Y173-V205 PolarHBondContact N-O 2.82Å; V205-I210 HydrophobicContact CG1-CD1 3.2Å; V205-I210 HydrophobicContact CG1-CG1 4.37Å; V205-I232 HydrophobicContact CG1-CD1 3.85Å; V205-I232 HydrophobicContact CG1-CG1 3.91Å
206D88.6Confident88.7Confident4 Ų433.6 Ų33.62%0.02115%0.149CC..EExtended strand (participates in β ladder)trans-86.1120.2-179.3-173.9-7000110.9Y173 E208 A209 I210 M303 V304 K305Y173-D206 HydrophobicContact CD1-CB 4.39Å; D206-E208 PolarHBondContact O-N 2.96Å; D206-E208 WeakPolarHBondContact OD1-CB 3.13Å; D206-E208 PolarHBondContact OD1-N 3.33Å; D206-A209 HydrophobicContact CB-CB 3.96Å; D206-A209 PolarHBondContact O-N 2.82Å; D206-I210 PolarHBondContact O-N 2.76Å; D206-I210 VanDerWaalsContact O-N 3.13Å; D206-M303 WeakPolarHBondContact CA-O 3.46Å; D206-M303 WeakPolarHBondContact CB-O 3.39Å; D206-M303 PolarHBondContact N-O 3.23Å; D206-V304 HydrophobicContact CB-CB 4.37Å; D206-V304 HydrophobicContact CB-CG1 4.43Å; D206-V304 HydrophobicContact CB-CG2 4.36Å; D206-K305 PolarHBondContact OD2-N 3.15Å
207N84.5Confident88.4Confident24 Ų2434.8 Ų34.813%0.12816%0.155CC..Hα-helixtrans-59.4-33.3176.4-78.2-26.3000112.4V172 A175 Y211 L228V172-N207 VanDerWaalsContact CG1-ND2 3.28Å; V172-N207 WeakPolarHBondContact CG1-ND2 3.39Å; V172-N207 VanDerWaalsContact CG1-OD1 3.29Å; V172-N207 WeakPolarHBondContact CG1-OD1 3.2Å; A175-N207 HydrophobicContact CB-CB 3.9Å; N207-Y211 VanDerWaalsContact O-CB 3.22Å; N207-Y211 WeakPolarHBondContact O-CB 3.32Å; N207-Y211 PolarHBondContact O-N 2.91Å; N207-L228 HydrophobicContact CB-CD2 4.45Å
208E85.7Confident88Confident26 Ų2627 Ų2712%0.12112%0.119CC..Hα-helixtrans-69.9-40.7180-149.9179.2131.300111.4A175 P176 Q177 D206 Y211 D212 K305A175-E208 HydrophobicContact CB-CB 3.66Å; A175-E208 HydrophobicContact CB-CG 4.4Å; P176-E208 WeakPolarHBondContact CD-OE2 3.37Å; Q177-E208 PolarHBondContact NE2-OE1 2.82Å; D206-E208 PolarHBondContact O-N 2.96Å; D206-E208 WeakPolarHBondContact OD1-CB 3.13Å; D206-E208 PolarHBondContact OD1-N 3.33Å; E208-Y211 PolarHBondContact O-N 2.81Å; E208-D212 PolarHBondContact O-N 3.01Å; E208-K305 HydrophobicContact CB-CD 4.24Å; E208-K305 HydrophobicContact CG-CD 4.3Å; E208-K305 IonicContact OE1-NZ 2.68Å; E208-K305 PolarHBondContact OE1-NZ 3.12Å
209A87.8Confident87.5Confident4 Ų429.2 Ų29.23%0.03313%0.132CC..Hα-helixtrans-64.5-46.5178.600000110.7D206 Y211 D212 I213 Q302 K305D206-A209 HydrophobicContact CB-CB 3.96Å; D206-A209 PolarHBondContact O-N 2.82Å; A209-Y211 VanDerWaalsContact C-N 3.34Å; A209-Y211 PolarHBondContact O-N 3.39Å; A209-D212 PolarHBondContact O-N 3.34Å; A209-I213 VanDerWaalsContact O-CG1 3.23Å; A209-I213 WeakPolarHBondContact O-CG1 2.99Å; A209-I213 PolarHBondContact O-N 3.4Å; A209-Q302 WeakPolarHBondContact CB-O 3.16Å; A209-K305 HydrophobicContact CB-CG 4.04Å
210I88Confident87.2Confident0 Ų030.4 Ų30.40%014%0.138CC..Hα-helixtrans-63.3-42.5177-67.5173.2000111.1V205 D206 D212 I213 C214 L228 L231 I232 M303V205-I210 HydrophobicContact CG1-CD1 3.2Å; V205-I210 HydrophobicContact CG1-CG1 4.37Å; D206-I210 PolarHBondContact O-N 2.76Å; D206-I210 VanDerWaalsContact O-N 3.13Å; I210-D212 VanDerWaalsContact C-N 3.33Å; I210-D212 PolarHBondContact O-N 2.58Å; I210-I213 PolarHBondContact O-N 3.08Å; I210-C214 WeakPolarHBondContact O-CB 3.2Å; I210-C214 PolarHBondContact O-N 3.47Å; I210-C214 PolarHBondContact O-SG 3Å; I210-C214 VanDerWaalsContact O-SG 3.4Å; I210-L228 HydrophobicContact CB-CD2 3.93Å; I210-L228 HydrophobicContact CB-CG 4.49Å; I210-L228 HydrophobicContact CG2-CB 3.89Å; I210-L228 HydrophobicContact CG2-CD2 3.6Å; I210-L228 HydrophobicContact CG2-CG 3.63Å; I210-L231 HydrophobicContact CG1-CD2 4.49Å; I210-L231 HydrophobicContact CG2-CB 4.47Å; I210-L231 HydrophobicContact CG2-CD2 3.82Å; I210-I232 HydrophobicContact CD1-CD1 3.75Å; I210-I232 HydrophobicContact CD1-CG1 3.45Å; I210-I232 VanDerWaalsContact CD1-CG1 3.45Å; I210-M303 HydrophobicContact CD1-SD 4.46Å; I210-M303 HydrophobicContact CG1-SD 3.87Å
211Y87.6Confident86.7Confident49 Ų4936.9 Ų36.919%0.19217%0.167CC..Hα-helixtrans-58.7-46.1177.7-171.9-86.6000111.5N207 E208 A209 I213 C214 R215 P223N207-Y211 VanDerWaalsContact O-CB 3.22Å; N207-Y211 WeakPolarHBondContact O-CB 3.32Å; N207-Y211 PolarHBondContact O-N 2.91Å; E208-Y211 PolarHBondContact O-N 2.81Å; A209-Y211 VanDerWaalsContact C-N 3.34Å; A209-Y211 PolarHBondContact O-N 3.39Å; Y211-I213 PolarHBondContact O-N 3.44Å; Y211-C214 PolarHBondContact O-N 2.85Å; Y211-R215 WeakPolarHBondContact O-CB 3.36Å; Y211-R215 PolarHBondContact O-N 2.76Å; Y211-P223 HydrophobicContact CD2-CB 3.9Å; Y211-P223 HydrophobicContact CD2-CG 4Å; Y211-P223 HydrophobicContact CE2-CB 3.98Å; Y211-P223 HydrophobicContact CE2-CG 3.95Å; Y211-P223 WeakPolarHBondContact CE2-O 3.44Å; Y211-P223 HydrophobicContact CG-CG 4.38Å
212D87.9Confident86.3Confident41 Ų4142.1 Ų42.122%0.21920%0.199CC..Hα-helixtrans-64.3-39.3177-79.6-9.3000112.5E208 A209 I210 R215 R216 K305E208-D212 PolarHBondContact O-N 3.01Å; A209-D212 PolarHBondContact O-N 3.34Å; I210-D212 VanDerWaalsContact C-N 3.33Å; I210-D212 PolarHBondContact O-N 2.58Å; D212-R215 PolarHBondContact O-N 2.86Å; D212-R216 VanDerWaalsContact O-CB 3.27Å; D212-R216 WeakPolarHBondContact O-CB 3.3Å; D212-R216 PolarHBondContact O-N 3.04Å; D212-K305 WeakPolarHBondContact OD2-CE 3.34Å; D212-K305 IonicContact OD2-NZ 2.64Å; D212-K305 PolarHBondContact OD2-NZ 3.08Å
213I88.1Confident85.9Confident2 Ų242.7 Ų42.71%0.0120%0.203CC..Hα-helixtrans-63.5-48.8175.7-71.4166.1000110.4A209 I210 Y211 R215 R216 N217 L231 I276 T300 M303A209-I213 VanDerWaalsContact O-CG1 3.23Å; A209-I213 WeakPolarHBondContact O-CG1 2.99Å; A209-I213 PolarHBondContact O-N 3.4Å; I210-I213 PolarHBondContact O-N 3.08Å; Y211-I213 PolarHBondContact O-N 3.44Å; I213-R215 VanDerWaalsContact C-N 3.28Å; I213-R215 PolarHBondContact O-N 3.19Å; I213-R216 PolarHBondContact O-N 3.46Å; I213-N217 VanDerWaalsContact O-CB 3.29Å; I213-N217 WeakPolarHBondContact O-CB 3.39Å; I213-N217 PolarHBondContact O-N 3.5Å; I213-L231 HydrophobicContact CB-CD2 4.49Å; I213-L231 HydrophobicContact CG2-CD2 3.91Å; I213-I276 HydrophobicContact CG2-CB 4.36Å; I213-I276 HydrophobicContact CG2-CD1 3.45Å; I213-I276 VanDerWaalsContact CG2-CD1 3.45Å; I213-I276 HydrophobicContact CG2-CG1 4.48Å; I213-I276 HydrophobicContact CG2-CG2 3.89Å; I213-T300 WeakPolarHBondContact CG1-O 3.27Å; I213-M303 HydrophobicContact CD1-CE 4.13Å; I213-M303 HydrophobicContact CD1-SD 4.11Å
214C86.4Confident85.6Confident0 Ų044.3 Ų44.30%022%0.219CC..Hα-helixtrans-59.1-41.8177-73.30000111.3I210 Y211 M218 P223I210-C214 WeakPolarHBondContact O-CB 3.2Å; I210-C214 PolarHBondContact O-N 3.47Å; I210-C214 PolarHBondContact O-SG 3Å; I210-C214 VanDerWaalsContact O-SG 3.4Å; Y211-C214 PolarHBondContact O-N 2.85Å; C214-M218 WeakPolarHBondContact O-CA 3.45Å; C214-M218 VanDerWaalsContact O-CB 3.27Å; C214-M218 WeakPolarHBondContact O-CB 3.47Å; C214-M218 PolarHBondContact O-N 3.03Å; C214-M218 VanDerWaalsContact O-N 3.16Å; C214-P223 HydrophobicContact CB-CB 3.84Å; C214-P223 HydrophobicContact CB-CG 3.58Å
215R86.9Confident85.3Confident148 Ų14849.1 Ų49.156%0.55824%0.238SC*.Hα-helixtrans-68.9-40.6-179.9-172.9174.5179.8-175.23.5113.3Y211 D212 I213 I220 P223Y211-R215 WeakPolarHBondContact O-CB 3.36Å; Y211-R215 PolarHBondContact O-N 2.76Å; D212-R215 PolarHBondContact O-N 2.86Å; I213-R215 VanDerWaalsContact C-N 3.28Å; I213-R215 PolarHBondContact O-N 3.19Å; R215-I220 WeakPolarHBondContact CA-O 3.39Å; R215-P223 HydrophobicContact CB-CG 4.46Å
216R86.3Confident85.2Confident135 Ų13554.2 Ų54.251%0.50926%0.264SS..Hα-helixtrans-83.4-43.1-175.9-173.9-177-62.4133.53.9113.1D212 I213D212-R216 VanDerWaalsContact O-CB 3.27Å; D212-R216 WeakPolarHBondContact O-CB 3.3Å; D212-R216 PolarHBondContact O-N 3.04Å; I213-R216 PolarHBondContact O-N 3.46Å
217N83.8Confident85.1Confident33 Ų3355.4 Ų55.418%0.17627%0.27CS..Hα-helixtrans-94.9-33-170.1-68.945000112.4I213 I276I213-N217 VanDerWaalsContact O-CB 3.29Å; I213-N217 WeakPolarHBondContact O-CB 3.39Å; I213-N217 PolarHBondContact O-N 3.5Å; N217-I276 HydrophobicContact CB-CB 4.35Å; N217-I276 HydrophobicContact CB-CG2 4Å; N217-I276 WeakPolarHBondContact CB-O 3.35Å; N217-I276 PolarHBondContact ND2-O 2.84Å
218M80.3Confident85.2Confident7 Ų754.4 Ų54.43%0.03427%0.265CS..SBendtrans-97.4-1.8179.2-52.7-179.7-169.700113.4C214 I220 L231 I276 D368 L369C214-M218 WeakPolarHBondContact O-CA 3.45Å; C214-M218 VanDerWaalsContact O-CB 3.27Å; C214-M218 WeakPolarHBondContact O-CB 3.47Å; C214-M218 PolarHBondContact O-N 3.03Å; C214-M218 VanDerWaalsContact O-N 3.16Å; M218-I220 HydrophobicContact CB-CD1 3.86Å; M218-I220 HydrophobicContact CB-CG1 3.9Å; M218-I220 PolarHBondContact O-N 2.75Å; M218-I220 HydrophobicContact SD-CD1 4.2Å; M218-L231 HydrophobicContact CE-CD1 4.12Å; M218-L231 HydrophobicContact CE-CD2 4.41Å; M218-I276 HydrophobicContact CE-CG2 3.49Å; M218-I276 VanDerWaalsContact CE-CG2 3.49Å; M218-I276 HydrophobicContact CG-CG2 4.32Å; M218-D368 HydrophobicContact SD-CB 3.82Å; M218-L369 HydrophobicContact CE-CD1 3.46Å; M218-L369 VanDerWaalsContact CE-CD1 3.46Å; M218-L369 HydrophobicContact CE-CD2 4.44Å; M218-L369 HydrophobicContact CE-CG 3.76Å; M218-L369 HydrophobicContact SD-CD1 4.31Å
219D82.4Confident85.4Confident91 Ų9153.9 Ų53.949%0.48726%0.263SS..  trans5531.4-176.6-58.7-31.6000114.1K281D219-K281 IonicContact OD1-NZ 3.1Å; D219-K281 PolarHBondContact OD1-NZ 3.32Å; D219-K281 VanDerWaalsContact OD1-NZ 3.1Å; D219-K281 WeakPolarHBondContact OD2-CE 3.39Å; D219-K281 IonicContact OD2-NZ 2.64Å; D219-K281 PolarHBondContact OD2-NZ 2.95Å
220I82.6Confident85.5Confident33 Ų3356.2 Ų56.217%0.16927%0.271CS..  trans-89.7115.9177.9-56.5172.5000109.1R215 M218 T222 P223 N227 D368R215-I220 WeakPolarHBondContact CA-O 3.39Å; M218-I220 HydrophobicContact CB-CD1 3.86Å; M218-I220 HydrophobicContact CB-CG1 3.9Å; M218-I220 PolarHBondContact O-N 2.75Å; M218-I220 HydrophobicContact SD-CD1 4.2Å; I220-T222 PolarHBondContact O-N 3.32Å; I220-P223 HydrophobicContact CB-CG 4.34Å; I220-P223 HydrophobicContact CG2-CG 4.19Å; I220-N227 HydrophobicContact CD1-CB 4.42Å; I220-D368 HydrophobicContact CD1-CB 4.01Å
221E81.2Confident85.6Confident168 Ų16856.2 Ų56.279%0.78527%0.271SS*.SBendtrans-61.6-41.9-178.5-69.2-171.4166.300113.2
222T82.1Confident85.7Confident110 Ų11054 Ų5468%0.67526%0.263SS*.SBendtrans-133.786-179.957.40000111.5I220 G224I220-T222 PolarHBondContact O-N 3.32Å; T222-G224 PolarHBondContact O-N 3.13Å
223P83.4Confident85.8Confident13 Ų1352.1 Ų52.18%0.08425%0.253CS..  trans-59.1129.3175.1-22.830.8000112.3Y211 C214 R215 I220 L228Y211-P223 HydrophobicContact CD2-CB 3.9Å; Y211-P223 HydrophobicContact CD2-CG 4Å; Y211-P223 HydrophobicContact CE2-CB 3.98Å; Y211-P223 HydrophobicContact CE2-CG 3.95Å; Y211-P223 WeakPolarHBondContact CE2-O 3.44Å; Y211-P223 HydrophobicContact CG-CG 4.38Å; C214-P223 HydrophobicContact CB-CB 3.84Å; C214-P223 HydrophobicContact CB-CG 3.58Å; R215-P223 HydrophobicContact CB-CG 4.46Å; I220-P223 HydrophobicContact CB-CG 4.34Å; I220-P223 HydrophobicContact CG2-CG 4.19Å; P223-L228 HydrophobicContact CB-CD1 4.24Å
224G84.5Confident85.9Confident34 Ų3452.4 Ų52.435%0.35125%0.254SS..  trans-99.5168.6171.200000112.3T222 I226 N227 L228T222-G224 PolarHBondContact O-N 3.13Å; G224-I226 PolarHBondContact O-N 3.12Å; G224-N227 PolarHBondContact N-OD1 3.24Å; G224-N227 WeakPolarHBondContact O-CB 3.29Å; G224-N227 PolarHBondContact O-N 2.97Å; G224-N227 PolarHBondContact O-OD1 3.41Å; G224-L228 WeakPolarHBondContact O-CD1 3.47Å; G224-L228 PolarHBondContact O-N 3.47Å
225Y84.1Confident86.1Confident101 Ų10152.6 Ų52.640%0.39626%0.255SS..Hα-helixtrans-54.6-31-177.7-70.7-67.9000114.3N227 L228 N229Y225-N227 VanDerWaalsContact C-N 3.34Å; Y225-N227 PolarHBondContact O-N 3.23Å; Y225-L228 PolarHBondContact O-N 2.93Å; Y225-N229 VanDerWaalsContact O-CB 3.22Å; Y225-N229 WeakPolarHBondContact O-CB 3.07Å; Y225-N229 PolarHBondContact O-N 3.03Å; Y225-N229 PolarHBondContact O-ND2 3.14Å; Y225-N229 PolarHBondContact O-OD1 3.16Å
226I86.8Confident86.3Confident116 Ų11645.6 Ų45.660%0.59523%0.229SC*.Hα-helixtrans-61.8-42.3174.8-61.3173.1000111G224 R230G224-I226 PolarHBondContact O-N 3.12Å; I226-R230 WeakPolarHBondContact O-CB 3.45Å; I226-R230 VanDerWaalsContact O-CG 3.25Å; I226-R230 WeakPolarHBondContact O-CG 3.23Å; I226-R230 PolarHBondContact O-N 2.87Å
227N86.3Confident86.5Confident29 Ų2939.1 Ų39.116%0.15520%0.204CC..Hα-helixtrans-68.2-45179.3-49110000110.6I220 G224 Y225 R230 L231 D368I220-N227 HydrophobicContact CD1-CB 4.42Å; G224-N227 PolarHBondContact N-OD1 3.24Å; G224-N227 WeakPolarHBondContact O-CB 3.29Å; G224-N227 PolarHBondContact O-N 2.97Å; G224-N227 PolarHBondContact O-OD1 3.41Å; Y225-N227 VanDerWaalsContact C-N 3.34Å; Y225-N227 PolarHBondContact O-N 3.23Å; N227-R230 PolarHBondContact O-N 3.41Å; N227-L231 PolarHBondContact O-N 3.38Å; N227-D368 PolarHBondContact ND2-OD2 2.97Å
228L88.1Confident86.7Confident3 Ų337.8 Ų37.82%0.01620%0.198CC..Hα-helixtrans-59.1-51.4176-75.3103.1000111.1N207 I210 P223 G224 Y225 R230 L231 I232N207-L228 HydrophobicContact CB-CD2 4.45Å; I210-L228 HydrophobicContact CB-CD2 3.93Å; I210-L228 HydrophobicContact CB-CG 4.49Å; I210-L228 HydrophobicContact CG2-CB 3.89Å; I210-L228 HydrophobicContact CG2-CD2 3.6Å; I210-L228 HydrophobicContact CG2-CG 3.63Å; P223-L228 HydrophobicContact CB-CD1 4.24Å; G224-L228 WeakPolarHBondContact O-CD1 3.47Å; G224-L228 PolarHBondContact O-N 3.47Å; Y225-L228 PolarHBondContact O-N 2.93Å; L228-R230 VanDerWaalsContact C-N 3.29Å; L228-R230 PolarHBondContact O-N 2.7Å; L228-L231 WeakPolarHBondContact O-CB 3.23Å; L228-L231 PolarHBondContact O-N 3Å; L228-I232 WeakPolarHBondContact O-CG1 3.35Å; L228-I232 PolarHBondContact O-N 2.82Å
229N89.9Confident87.1Confident15 Ų1537.6 Ų37.68%0.0820%0.197CC..Hα-helixtrans-65.4-31.4-176.3-66.5-16.1000112.4Q15 A19 Y225 I232 G233Q15-N229 WeakPolarHBondContact CB-ND2 3.3Å; A19-N229 HydrophobicContact CB-CB 4.04Å; Y225-N229 VanDerWaalsContact O-CB 3.22Å; Y225-N229 WeakPolarHBondContact O-CB 3.07Å; Y225-N229 PolarHBondContact O-N 3.03Å; Y225-N229 PolarHBondContact O-ND2 3.14Å; Y225-N229 PolarHBondContact O-OD1 3.16Å; N229-I232 PolarHBondContact O-N 2.72Å; N229-G233 PolarHBondContact O-N 3.46Å
230R88.9Confident87.3Confident52 Ų5233.4 Ų33.420%0.19617%0.174CC..Hα-helixtrans-65.7-40.1172.4-78.7173.1174.4176.2-7.1112.1I226 N227 L228 G233 Q234 G366I226-R230 WeakPolarHBondContact O-CB 3.45Å; I226-R230 VanDerWaalsContact O-CG 3.25Å; I226-R230 WeakPolarHBondContact O-CG 3.23Å; I226-R230 PolarHBondContact O-N 2.87Å; N227-R230 PolarHBondContact O-N 3.41Å; L228-R230 VanDerWaalsContact C-N 3.29Å; L228-R230 PolarHBondContact O-N 2.7Å; R230-G233 PolarHBondContact O-N 3.18Å; R230-Q234 WeakPolarHBondContact O-CG 3.48Å; R230-Q234 PolarHBondContact O-N 3.49Å; R230-Q234 VanDerWaalsContact O-N 3.13Å; R230-G366 PolarHBondContact NH1-O 2.84Å
231L89.4Confident87.5Confident0 Ų031.9 Ų31.90%017%0.167CC..Hα-helixtrans-66.3-44.2174.8-176.159.5000111.1I210 I213 M218 N227 L228 G233 Q234 I235 I276 L369I210-L231 HydrophobicContact CG1-CD2 4.49Å; I210-L231 HydrophobicContact CG2-CB 4.47Å; I210-L231 HydrophobicContact CG2-CD2 3.82Å; I213-L231 HydrophobicContact CB-CD2 4.49Å; I213-L231 HydrophobicContact CG2-CD2 3.91Å; M218-L231 HydrophobicContact CE-CD1 4.12Å; M218-L231 HydrophobicContact CE-CD2 4.41Å; N227-L231 PolarHBondContact O-N 3.38Å; L228-L231 WeakPolarHBondContact O-CB 3.23Å; L228-L231 PolarHBondContact O-N 3Å; L231-G233 VanDerWaalsContact C-N 3.28Å; L231-G233 PolarHBondContact O-N 3.05Å; L231-Q234 WeakPolarHBondContact O-CB 3.29Å; L231-Q234 PolarHBondContact O-N 2.94Å; L231-I235 HydrophobicContact CG-CD1 4.28Å; L231-I235 WeakPolarHBondContact O-CD1 3.43Å; L231-I235 WeakPolarHBondContact O-CG1 3.15Å; L231-I235 PolarHBondContact O-N 3.14Å; L231-I276 HydrophobicContact CD1-CD1 3.98Å; L231-I276 HydrophobicContact CD1-CG1 4.27Å; L231-I276 HydrophobicContact CD1-CG2 4.43Å; L231-I276 HydrophobicContact CD2-CD1 4.34Å; L231-L369 HydrophobicContact CD1-CD2 4.28Å
232I90.6Very high87.4Confident4 Ų424.8 Ų24.82%0.02114%0.135CC..Hα-helixtrans-58.2-43.9174-60.7172.3000110.4T16 V205 I210 L228 N229 Q234 I235 V236T16-I232 HydrophobicContact CG2-CB 4.25Å; T16-I232 HydrophobicContact CG2-CG2 3.5Å; T16-I232 VanDerWaalsContact CG2-CG2 3.5Å; V205-I232 HydrophobicContact CG1-CD1 3.85Å; V205-I232 HydrophobicContact CG1-CG1 3.91Å; I210-I232 HydrophobicContact CD1-CD1 3.75Å; I210-I232 HydrophobicContact CD1-CG1 3.45Å; I210-I232 VanDerWaalsContact CD1-CG1 3.45Å; L228-I232 WeakPolarHBondContact O-CG1 3.35Å; L228-I232 PolarHBondContact O-N 2.82Å; N229-I232 PolarHBondContact O-N 2.72Å; I232-Q234 VanDerWaalsContact C-N 3.31Å; I232-Q234 PolarHBondContact O-N 3.16Å; I232-I235 WeakPolarHBondContact O-CB 3.21Å; I232-I235 PolarHBondContact O-N 3.32Å; I232-I235 VanDerWaalsContact O-N 3.12Å; I232-V236 HydrophobicContact CG2-CG2 3.97Å; I232-V236 VanDerWaalsContact O-CG2 3.28Å; I232-V236 WeakPolarHBondContact O-CG2 3.43Å; I232-V236 PolarHBondContact O-N 3.34Å
233G90.3Very high87.3Confident1 Ų120.2 Ų20.21%0.0111%0.107CC..Hα-helixtrans-56.5-41.4176.300000113.3L23 N229 R230 L231 I235 S237L23-G233 WeakPolarHBondContact CD2-O 3.36Å; N229-G233 PolarHBondContact O-N 3.46Å; R230-G233 PolarHBondContact O-N 3.18Å; L231-G233 VanDerWaalsContact C-N 3.28Å; L231-G233 PolarHBondContact O-N 3.05Å; G233-I235 VanDerWaalsContact C-N 3.34Å; G233-I235 PolarHBondContact O-N 3.22Å; G233-S237 WeakPolarHBondContact O-CB 3.22Å; G233-S237 PolarHBondContact O-N 2.83Å
234Q90.1Very high87.1Confident7 Ų719.7 Ų19.73%0.03310%0.103CC..Hα-helixtrans-64.9-37.8176.6-70.4-66.4-24.900112.9L23 R230 L231 I232 S238 T362 L369L23-Q234 HydrophobicContact CD2-CG 4.27Å; R230-Q234 WeakPolarHBondContact O-CG 3.48Å; R230-Q234 PolarHBondContact O-N 3.49Å; R230-Q234 VanDerWaalsContact O-N 3.13Å; L231-Q234 WeakPolarHBondContact O-CB 3.29Å; L231-Q234 PolarHBondContact O-N 2.94Å; I232-Q234 VanDerWaalsContact C-N 3.31Å; I232-Q234 PolarHBondContact O-N 3.16Å; Q234-S238 WeakPolarHBondContact O-CB 3.48Å; Q234-S238 PolarHBondContact O-N 3.06Å; Q234-S238 PolarHBondContact O-OG 3.14Å; Q234-T362 PolarHBondContact NE2-O 2.98Å; Q234-L369 HydrophobicContact CG-CD2 4.18Å
235I89.7Confident86.9Confident4 Ų418.8 Ų18.82%0.0219%0.09CC..Hα-helixtrans-69.8-50.9178.2-63160.2000110.1L231 I232 G233 S237 S238 I239 V271 Y273 M303L231-I235 HydrophobicContact CG-CD1 4.28Å; L231-I235 WeakPolarHBondContact O-CD1 3.43Å; L231-I235 WeakPolarHBondContact O-CG1 3.15Å; L231-I235 PolarHBondContact O-N 3.14Å; I232-I235 WeakPolarHBondContact O-CB 3.21Å; I232-I235 PolarHBondContact O-N 3.32Å; I232-I235 VanDerWaalsContact O-N 3.12Å; G233-I235 VanDerWaalsContact C-N 3.34Å; G233-I235 PolarHBondContact O-N 3.22Å; I235-S237 PolarHBondContact O-N 3.4Å; I235-S238 WeakPolarHBondContact O-CA 3Å; I235-S238 WeakPolarHBondContact O-CB 3.47Å; I235-S238 PolarHBondContact O-N 3.28Å; I235-I239 HydrophobicContact CG2-CD1 3.89Å; I235-I239 WeakPolarHBondContact O-CG1 3.32Å; I235-I239 PolarHBondContact O-N 2.94Å; I235-V271 HydrophobicContact CG2-CG1 3.36Å; I235-Y273 HydrophobicContact CG1-CD2 4.43Å; I235-Y273 HydrophobicContact CG1-CG 4.19Å; I235-M303 HydrophobicContact CD1-CE 3.27Å; I235-M303 HydrophobicContact CD1-CG 3.89Å; I235-M303 HydrophobicContact CD1-SD 3.4Å; I235-M303 WeakPolarHBondContact CD1-SD 3.49Å; I235-M303 HydrophobicContact CG1-CE 4.05Å
236V91.3Very high86.3Confident1 Ų119.8 Ų19.81%0.00610%0.102CC..Hα-helixtrans-58.6-40.3176.6174.40000110.1F24 F139 F170 I232 S238 I239 T240F24-V236 HydrophobicContact CZ-CG1 4.23Å; F139-V236 HydrophobicContact CE1-CB 4.45Å; F139-V236 HydrophobicContact CE1-CG1 3.68Å; F139-V236 HydrophobicContact CE1-CG2 3.87Å; F139-V236 HydrophobicContact CZ-CG1 3.74Å; F170-V236 HydrophobicContact CD1-CG2 3.91Å; F170-V236 HydrophobicContact CE1-CG2 3.93Å; F170-V236 HydrophobicContact CG-CG2 4.4Å; F170-V236 HydrophobicContact CZ-CG1 4.33Å; F170-V236 HydrophobicContact CZ-CG2 4.44Å; I232-V236 HydrophobicContact CG2-CG2 3.97Å; I232-V236 VanDerWaalsContact O-CG2 3.28Å; I232-V236 WeakPolarHBondContact O-CG2 3.43Å; I232-V236 PolarHBondContact O-N 3.34Å; V236-S238 VanDerWaalsContact C-N 3.34Å; V236-S238 PolarHBondContact O-N 2.58Å; V236-I239 PolarHBondContact O-N 3.29Å; V236-T240 HydrophobicContact CG1-CG2 4.28Å; V236-T240 WeakPolarHBondContact O-CB 3.25Å; V236-T240 WeakPolarHBondContact O-CG2 3.29Å; V236-T240 PolarHBondContact O-N 2.91Å; V236-T240 PolarHBondContact O-OG1 2.84Å
237S90.8Very high85.3Confident0 Ų015 Ų150%08%0.081CC..Hα-helixtrans-60-42.7172.5176.40000112.5L23 E27 G233 I235 T240 A241 R244 R321L23-S237 VanDerWaalsContact CD2-CB 3.49Å; E27-S237 PolarHBondContact OE1-OG 3.43Å; E27-S237 PolarHBondContact OE2-OG 3.12Å; E27-S237 VanDerWaalsContact OE2-OG 3.09Å; G233-S237 WeakPolarHBondContact O-CB 3.22Å; G233-S237 PolarHBondContact O-N 2.83Å; I235-S237 PolarHBondContact O-N 3.4Å; S237-T240 PolarHBondContact O-N 3.47Å; S237-T240 PolarHBondContact O-OG1 3.34Å; S237-A241 WeakPolarHBondContact O-CA 3.36Å; S237-A241 WeakPolarHBondContact O-CB 3.41Å; S237-A241 PolarHBondContact O-N 2.87Å; S237-R244 PolarHBondContact O-NH2 2.78Å; S237-R244 VanDerWaalsContact O-NH2 3.14Å; S237-R244 PolarHBondContact OG-NH2 3.19Å; S237-R321 PolarHBondContact OG-NH1 3.25Å
238S88.9Confident84Confident5 Ų516.6 Ų16.64%0.03510%0.098CC..Hα-helixtrans-67.7-36.5178.6-59.10000112.9Q234 I235 V236 Y273Q234-S238 WeakPolarHBondContact O-CB 3.48Å; Q234-S238 PolarHBondContact O-N 3.06Å; Q234-S238 PolarHBondContact O-OG 3.14Å; I235-S238 WeakPolarHBondContact O-CA 3Å; I235-S238 WeakPolarHBondContact O-CB 3.47Å; I235-S238 PolarHBondContact O-N 3.28Å; V236-S238 VanDerWaalsContact C-N 3.34Å; V236-S238 PolarHBondContact O-N 2.58Å; S238-Y273 WeakPolarHBondContact OG-CE2 3.3Å
239I88.1Confident82.7Confident3 Ų321.1 Ų21.12%0.01512%0.122CC..Hα-helixtrans-70.5-43.9176.5-63.9166.8000110.7F170 F203 I235 V236 A241 F256 V271 L379F170-I239 HydrophobicContact CE1-CD1 3.79Å; F170-I239 HydrophobicContact CZ-CD1 4.42Å; F170-I239 HydrophobicContact CZ-CG2 4.22Å; F203-I239 HydrophobicContact CD1-CD1 4.42Å; F203-I239 HydrophobicContact CE2-CG2 4.23Å; F203-I239 HydrophobicContact CG-CD1 4.5Å; F203-I239 HydrophobicContact CZ-CG2 4.17Å; I235-I239 HydrophobicContact CG2-CD1 3.89Å; I235-I239 WeakPolarHBondContact O-CG1 3.32Å; I235-I239 PolarHBondContact O-N 2.94Å; V236-I239 PolarHBondContact O-N 3.29Å; I239-A241 VanDerWaalsContact C-N 3.34Å; I239-F256 HydrophobicContact CG2-CE1 4.4Å; I239-F256 HydrophobicContact CG2-CE2 4.47Å; I239-F256 HydrophobicContact CG2-CZ 4Å; I239-V271 HydrophobicContact CD1-CG1 4.32Å; I239-V271 HydrophobicContact CD1-CG2 4.46Å; I239-L379 HydrophobicContact CD1-CD2 3.86Å; I239-L379 HydrophobicContact CG1-CD1 4.29Å; I239-L379 HydrophobicContact CG1-CD2 4.01Å
240T87.4Confident81.4Confident2 Ų222.6 Ų22.61%0.01213%0.13CC..Hα-helixtrans-83.9-7.1-17959.90000113.7F53 L137 V236 S237 S242 L243 R244F53-T240 HydrophobicContact CE1-CG2 4.5Å; F53-T240 HydrophobicContact CZ-CG2 4.05Å; L137-T240 HydrophobicContact CD1-CG2 4.01Å; V236-T240 HydrophobicContact CG1-CG2 4.28Å; V236-T240 WeakPolarHBondContact O-CB 3.25Å; V236-T240 WeakPolarHBondContact O-CG2 3.29Å; V236-T240 PolarHBondContact O-N 2.91Å; V236-T240 PolarHBondContact O-OG1 2.84Å; S237-T240 PolarHBondContact O-N 3.47Å; S237-T240 PolarHBondContact O-OG1 3.34Å; T240-S242 PolarHBondContact O-N 2.9Å; T240-L243 WeakPolarHBondContact O-CB 3.28Å; T240-L243 PolarHBondContact O-N 3.36Å; T240-R244 PolarHBondContact O-N 2.8Å; T240-R244 VanDerWaalsContact O-N 3.17Å; T240-R244 PolarHBondContact OG1-NE 2.9Å
241A84.9Confident80.3Confident2 Ų220.2 Ų20.22%0.01712%0.121CC..Hα-helixtrans-61-33.4-178.900000112.1S237 I239 L243 R244 F245S237-A241 WeakPolarHBondContact O-CA 3.36Å; S237-A241 WeakPolarHBondContact O-CB 3.41Å; S237-A241 PolarHBondContact O-N 2.87Å; I239-A241 VanDerWaalsContact C-N 3.34Å; A241-L243 PolarHBondContact O-N 2.77Å; A241-R244 PolarHBondContact O-N 2.78Å; A241-F245 HydrophobicContact CB-CD2 4.32Å; A241-F245 WeakPolarHBondContact O-CB 3.44Å; A241-F245 PolarHBondContact O-N 2.92Å
242S79.9Confident79.4Confident18 Ų1821.3 Ų21.313%0.12613%0.127CC..Hα-helixtrans-67.1-19.5176.5620000113.6T240 V251T240-S242 PolarHBondContact O-N 2.9Å; S242-V251 PolarHBondContact OG-O 2.92Å
243L80.2Confident78.5Confident14 Ų1421.1 Ų21.17%0.07313%0.126CC..Hα-helixtrans-91.2-32.8177.6-53.2170.9000111.3T52 F53 T240 A241 L253T52-L243 PolarHBondContact OG1-O 3.45Å; F53-L243 HydrophobicContact CE2-CB 3.92Å; F53-L243 HydrophobicContact CE2-CD1 4.27Å; F53-L243 HydrophobicContact CZ-CD1 4.27Å; T240-L243 WeakPolarHBondContact O-CB 3.28Å; T240-L243 PolarHBondContact O-N 3.36Å; A241-L243 PolarHBondContact O-N 2.77Å; L243-L253 HydrophobicContact CD1-CD2 3.46Å; L243-L253 VanDerWaalsContact CD1-CD2 3.46Å; L243-L253 HydrophobicContact CD1-CG 4.14Å; L243-L253 HydrophobicContact CD2-CD2 4.15Å; L243-L253 HydrophobicContact CD2-CG 4.17Å; L243-L253 HydrophobicContact CG-CD2 4.42Å
244R79.9Confident78Confident2 Ų224.7 Ų24.71%0.00815%0.148CC..Hα-helixtrans-92-24.4-173.5-68.4-175.6-60.6106.2-0.2114.3E27 H28 P49 F53 S237 T240 A241E27-R244 IonicContact OE2-CZ 3.58Å; E27-R244 IonicContact OE2-NH1 3.4Å; E27-R244 PolarHBondContact OE2-NH1 2.75Å; E27-R244 IonicContact OE2-NH2 2.88Å; E27-R244 PolarHBondContact OE2-NH2 3.38Å; H28-R244 PolarHBondContact NE2-NH1 2.93Å; P49-R244 CarbonylContact C-O 3.44Å; P49-R244 VanDerWaalsContact CB-O 3.31Å; P49-R244 WeakPolarHBondContact CB-O 3.12Å; F53-R244 HydrophobicContact CD2-CG 3.37Å; F53-R244 HydrophobicContact CE2-CG 3.53Å; F53-R244 HydrophobicContact CG-CG 4.01Å; F53-R244 HydrophobicContact CZ-CG 4.26Å; S237-R244 PolarHBondContact O-NH2 2.78Å; S237-R244 VanDerWaalsContact O-NH2 3.14Å; S237-R244 PolarHBondContact OG-NH2 3.19Å; T240-R244 PolarHBondContact O-N 2.8Å; T240-R244 VanDerWaalsContact O-N 3.17Å; T240-R244 PolarHBondContact OG1-NE 2.9Å; A241-R244 PolarHBondContact O-N 2.78Å
245F80.1Confident77.5Confident16 Ų1628.1 Ų28.17%0.0716%0.164CC..SBendtrans-127.7151.1-177.6-62.4-64.5000110.8E27 H28 A241 N357 Q359E27-F245 HydrophobicContact CB-CZ 4.05Å; H28-F245 AromaticContact CE1-CE1 3.24Å; H28-F245 WeakPolarHBondContact CE1-CE1 3.41Å; H28-F245 AromaticContact CE1-CZ 3.28Å; H28-F245 WeakPolarHBondContact CE1-CZ 3.39Å; H28-F245 AromaticContact ND1-CE1 3.45Å; H28-F245 WeakPolarHBondContact ND1-CE1 3.44Å; H28-F245 AromaticContact ND1-CZ 3.65Å; H28-F245 AromaticContact NE2-CZ 3.88Å; A241-F245 HydrophobicContact CB-CD2 4.32Å; A241-F245 WeakPolarHBondContact O-CB 3.44Å; A241-F245 PolarHBondContact O-N 2.92Å; F245-N357 VanDerWaalsContact CB-ND2 3.32Å; F245-N357 WeakPolarHBondContact CB-ND2 3.4Å; F245-N357 WeakPolarHBondContact CD2-ND2 3.13Å; F245-Q359 VanDerWaalsContact CD1-CD 3.46Å; F245-Q359 VanDerWaalsContact CD1-NE2 3.33Å
246D70.4Confident76.8Confident122 Ų12228 Ų2865%0.65216%0.163SC*.  trans-80.1125.8170.9-158.517.8000109.8P49 N250P49-D246 HydrophobicContact CG-CB 4.3Å; D246-N250 PolarHBondContact OD1-ND2 2.82Å
247G65.2Low76.3Confident15 Ų1530.9 Ų30.916%0.15518%0.176CC..  trans-129.7168-179.300000111.5L249 N250G247-L249 PolarHBondContact O-N 3.48Å; G247-N250 WeakPolarHBondContact CA-OD1 3.38Å; G247-N250 PolarHBondContact N-OD1 3.29Å; G247-N250 PolarHBondContact O-OD1 3Å
248A58.8Low76Confident63 Ų6336 Ų3652%0.52121%0.208SC..SBendtrans-68.3-24.8-17800000112.9I356 Y358A248-I356 PolarHBondContact N-O 3.24Å; A248-I356 VanDerWaalsContact N-O 3.09Å; A248-Y358 HydrophobicContact CB-CE2 4.02Å
249L61.8Low75.7Confident98 Ų9837.6 Ų37.651%0.51322%0.216SC..SBendtrans-140.794172.1-153.991.1000108.7G247 V354G247-L249 PolarHBondContact O-N 3.48Å; L249-V354 WeakPolarHBondContact CB-O 3.47Å; L249-V354 WeakPolarHBondContact CD2-O 3.39Å
250N61.8Low75.4Confident45 Ų4537.5 Ų37.524%0.24122%0.216CC..PPolyproline II helixtrans-82.9122.1179.4-64.6-25.5000109.7D246 G247D246-N250 PolarHBondContact OD1-ND2 2.82Å; G247-N250 WeakPolarHBondContact CA-OD1 3.38Å; G247-N250 PolarHBondContact N-OD1 3.29Å; G247-N250 PolarHBondContact O-OD1 3Å
251V66.2Low75.3Confident3 Ų338.3 Ų38.32%0.01822%0.22CC..PPolyproline II helixtrans-92119.2173.4-174.30000108.8S242 E255 F256 L319S242-V251 PolarHBondContact OG-O 2.92Å; V251-E255 WeakPolarHBondContact CA-OE2 3.44Å; V251-E255 HydrophobicContact CG1-CB 3.74Å; V251-F256 HydrophobicContact CB-CE2 4.45Å; V251-F256 HydrophobicContact CB-CZ 4.29Å; V251-F256 HydrophobicContact CG1-CD1 4.08Å; V251-F256 HydrophobicContact CG1-CD2 4.08Å; V251-F256 HydrophobicContact CG1-CE1 4.03Å; V251-F256 HydrophobicContact CG1-CE2 4.05Å; V251-F256 HydrophobicContact CG1-CG 4.11Å; V251-F256 HydrophobicContact CG1-CZ 4.02Å; V251-L319 HydrophobicContact CG2-CD2 4.31Å
252D70.3Confident75.2Confident22 Ų2240.6 Ų40.612%0.11824%0.235CC..PPolyproline II helixtrans-77.4162.1172.4-86.5-29000112.3R2 Q134 T254 E255 F256R2-D252 WeakPolarHBondContact CD-OD1 3.35Å; R2-D252 IonicContact CZ-OD1 2.79Å; R2-D252 IonicContact CZ-OD2 3.19Å; R2-D252 IonicContact NE-OD1 3.78Å; R2-D252 PolarHBondContact NE-OD1 3.38Å; R2-D252 IonicContact NE-OD2 3.68Å; R2-D252 PolarHBondContact NE-OD2 3.3Å; R2-D252 VanDerWaalsContact NH1-CG 3.26Å; R2-D252 IonicContact NH1-OD1 3.72Å; R2-D252 PolarHBondContact NH1-OD1 3.44Å; R2-D252 IonicContact NH1-OD2 3.69Å; R2-D252 PolarHBondContact NH1-OD2 3.44Å; R2-D252 IonicContact NH2-OD1 2.79Å; R2-D252 IonicContact NH2-OD2 3.02Å; R2-D252 PolarHBondContact NH2-OD2 2.87Å; Q134-D252 PolarHBondContact NE2-OD1 2.78Å; D252-T254 VanDerWaalsContact C-N 3.28Å; D252-T254 PolarHBondContact O-N 3.2Å; D252-E255 HydrophobicContact CB-CB 4.33Å; D252-E255 HydrophobicContact CB-CG 4.07Å; D252-E255 CarbonylContact O-C 3.46Å; D252-E255 WeakPolarHBondContact O-CA 3.46Å; D252-E255 WeakPolarHBondContact O-CB 3.35Å; D252-E255 PolarHBondContact O-N 2.84Å; D252-F256 WeakPolarHBondContact O-CD2 3.35Å; D252-F256 PolarHBondContact O-N 2.79Å
253L73.2Confident75.5Confident1 Ų144.1 Ų44.11%0.00525%0.248CC..Hα-helixtrans-53.5-44.3174.4-67.1-170000113.1Q134 L137 L168 L243 E255 F256Q134-L253 HydrophobicContact CB-CD1 3.82Å; Q134-L253 HydrophobicContact CB-CG 4.35Å; L137-L253 HydrophobicContact CD2-CD2 4.12Å; L168-L253 HydrophobicContact CD1-CD2 3.48Å; L168-L253 VanDerWaalsContact CD1-CD2 3.48Å; L168-L253 HydrophobicContact CG-CD2 4.38Å; L243-L253 HydrophobicContact CD1-CD2 3.46Å; L243-L253 VanDerWaalsContact CD1-CD2 3.46Å; L243-L253 HydrophobicContact CD1-CG 4.14Å; L243-L253 HydrophobicContact CD2-CD2 4.15Å; L243-L253 HydrophobicContact CD2-CG 4.17Å; L243-L253 HydrophobicContact CG-CD2 4.42Å; L253-E255 VanDerWaalsContact C-N 3.26Å; L253-E255 PolarHBondContact O-N 2.86Å; L253-F256 HydrophobicContact CD2-CD2 4.49Å; L253-F256 WeakPolarHBondContact O-CB 3.41Å; L253-F256 PolarHBondContact O-N 2.76Å
254T78.6Confident75.8Confident75 Ų7548.8 Ų48.846%0.4628%0.279SS..Hα-helixtrans-69.2-27.5177.5-47.30000112.1D252 Q257 T258D252-T254 VanDerWaalsContact C-N 3.28Å; D252-T254 PolarHBondContact O-N 3.2Å; T254-Q257 PolarHBondContact O-N 2.89Å; T254-T258 PolarHBondContact O-N 3.42Å; T254-T258 PolarHBondContact O-OG1 2.95Å
255E79.3Confident76.2Confident80 Ų8052.7 Ų52.737%0.37429%0.294SS..Hα-helixtrans-73.8-29.1173.5-69.5-175.4-17600112V251 D252 L253 Q257 T258 N259V251-E255 WeakPolarHBondContact CA-OE2 3.44Å; V251-E255 HydrophobicContact CG1-CB 3.74Å; D252-E255 HydrophobicContact CB-CB 4.33Å; D252-E255 HydrophobicContact CB-CG 4.07Å; D252-E255 CarbonylContact O-C 3.46Å; D252-E255 WeakPolarHBondContact O-CA 3.46Å; D252-E255 WeakPolarHBondContact O-CB 3.35Å; D252-E255 PolarHBondContact O-N 2.84Å; L253-E255 VanDerWaalsContact C-N 3.26Å; L253-E255 PolarHBondContact O-N 2.86Å; E255-Q257 VanDerWaalsContact C-N 3.33Å; E255-T258 PolarHBondContact O-N 2.8Å; E255-N259 WeakPolarHBondContact O-CB 2.98Å; E255-N259 PolarHBondContact O-N 3.29Å; E255-N259 PolarHBondContact O-ND2 2.86Å
256F76.1Confident76.6Confident2 Ų252 Ų521%0.00929%0.291CS..Hα-helixtrans-59.5-46.1170.5-79-67.2000111.2L168 I239 V251 D252 L253 N259 L260 L319 L379L168-F256 HydrophobicContact CD1-CD2 4.44Å; I239-F256 HydrophobicContact CG2-CE1 4.4Å; I239-F256 HydrophobicContact CG2-CE2 4.47Å; I239-F256 HydrophobicContact CG2-CZ 4Å; V251-F256 HydrophobicContact CB-CE2 4.45Å; V251-F256 HydrophobicContact CB-CZ 4.29Å; V251-F256 HydrophobicContact CG1-CD1 4.08Å; V251-F256 HydrophobicContact CG1-CD2 4.08Å; V251-F256 HydrophobicContact CG1-CE1 4.03Å; V251-F256 HydrophobicContact CG1-CE2 4.05Å; V251-F256 HydrophobicContact CG1-CG 4.11Å; V251-F256 HydrophobicContact CG1-CZ 4.02Å; D252-F256 WeakPolarHBondContact O-CD2 3.35Å; D252-F256 PolarHBondContact O-N 2.79Å; L253-F256 HydrophobicContact CD2-CD2 4.49Å; L253-F256 WeakPolarHBondContact O-CB 3.41Å; L253-F256 PolarHBondContact O-N 2.76Å; F256-N259 PolarHBondContact O-N 2.82Å; F256-L260 HydrophobicContact CD1-CD1 3.86Å; F256-L260 VanDerWaalsContact O-CB 3.25Å; F256-L260 WeakPolarHBondContact O-CB 3.42Å; F256-L260 PolarHBondContact O-N 2.89Å; F256-L319 HydrophobicContact CE1-CD1 4.23Å; F256-L319 HydrophobicContact CZ-CD1 4.29Å; F256-L379 HydrophobicContact CD1-CD1 3.97Å; F256-L379 HydrophobicContact CE1-CD1 3.48Å; F256-L379 VanDerWaalsContact CE1-CD1 3.48Å; F256-L379 HydrophobicContact CZ-CD1 4.48Å
257Q80.3Confident77.6Confident61 Ų6146.2 Ų46.229%0.28526%0.26SS..Hα-helixtrans-59.7-52.2174.9-174.7176.521.600110.9D200 T254 E255 N259 V261D200-Q257 PolarHBondContact OD1-NE2 2.92Å; T254-Q257 PolarHBondContact O-N 2.89Å; E255-Q257 VanDerWaalsContact C-N 3.33Å; Q257-N259 VanDerWaalsContact C-N 3.29Å; Q257-N259 PolarHBondContact O-N 3.07Å; Q257-V261 HydrophobicContact CG-CB 4.46Å; Q257-V261 WeakPolarHBondContact O-CA 3.48Å; Q257-V261 VanDerWaalsContact O-CB 3.28Å; Q257-V261 WeakPolarHBondContact O-CB 3.23Å; Q257-V261 PolarHBondContact O-N 2.78Å
258T83.6Confident78.9Confident108 Ų10845.6 Ų45.666%0.66325%0.253SS*.Hα-helixtrans-64.4-33-176.5-51.50000112.8T254 E255T254-T258 PolarHBondContact O-N 3.42Å; T254-T258 PolarHBondContact O-OG1 2.95Å; E255-T258 PolarHBondContact O-N 2.8Å
259N83.4Confident80.5Confident38 Ų3842.6 Ų42.620%0.20323%0.228CC..Hα-helixtrans-89.2-33.3-176.4-70.3-44.2000113.5E255 F256 Q257 A315 K353E255-N259 WeakPolarHBondContact O-CB 2.98Å; E255-N259 PolarHBondContact O-N 3.29Å; E255-N259 PolarHBondContact O-ND2 2.86Å; F256-N259 PolarHBondContact O-N 2.82Å; Q257-N259 VanDerWaalsContact C-N 3.29Å; Q257-N259 PolarHBondContact O-N 3.07Å; N259-A315 WeakPolarHBondContact O-CB 3.49Å; N259-K353 HydrophobicContact CB-CG 4.26Å; N259-K353 VanDerWaalsContact OD1-CE 3.29Å; N259-K353 WeakPolarHBondContact OD1-CE 3.4Å
260L82.6Confident81.8Confident1 Ų137.9 Ų37.91%0.00520%0.204CC..Hα-helixtrans-104.8-23.8-173.4-63.6174.5000113.5F203 F256 P262 P269 A315 C317 L379 N381F203-L260 HydrophobicContact CE1-CD1 4.35Å; F256-L260 HydrophobicContact CD1-CD1 3.86Å; F256-L260 VanDerWaalsContact O-CB 3.25Å; F256-L260 WeakPolarHBondContact O-CB 3.42Å; F256-L260 PolarHBondContact O-N 2.89Å; L260-P262 WeakPolarHBondContact O-CD 3.34Å; L260-P269 HydrophobicContact CD1-CB 4.22Å; L260-P269 HydrophobicContact CD1-CG 4.26Å; L260-A315 HydrophobicContact CD2-CB 4.42Å; L260-C317 HydrophobicContact CD2-CB 3.89Å; L260-L379 HydrophobicContact CD1-CB 3.85Å; L260-L379 HydrophobicContact CD1-CD1 3.91Å; L260-L379 HydrophobicContact CD2-CB 4.06Å; L260-L379 WeakPolarHBondContact CD2-O 3.46Å; L260-N381 VanDerWaalsContact O-CB 3.29Å; L260-N381 WeakPolarHBondContact O-CB 3.41Å; L260-N381 PolarHBondContact O-ND2 3.15Å
261V84.9Confident83.3Confident18 Ų1835.8 Ų35.811%0.10919%0.193CC..  trans-113.190.8-170.6-173.90000109.6C201 Q257 F263 H267C201-V261 HydrophobicContact CB-CG2 4.02Å; Q257-V261 HydrophobicContact CG-CB 4.46Å; Q257-V261 WeakPolarHBondContact O-CA 3.48Å; Q257-V261 VanDerWaalsContact O-CB 3.28Å; Q257-V261 WeakPolarHBondContact O-CB 3.23Å; Q257-V261 PolarHBondContact O-N 2.78Å; V261-F263 VanDerWaalsContact C-N 3.35Å; V261-F263 WeakPolarHBondContact CG1-O 3.38Å; V261-H267 HydrophobicContact CB-CB 4.39Å; V261-H267 HydrophobicContact CG1-CB 3.62Å; V261-H267 HydrophobicContact CG2-CB 3.8Å
262P83.6Confident84.5Confident50 Ų5035.7 Ų35.733%0.32519%0.192SC..SBendtrans-70.4-33.7177.629-35.1000112.2L260 M314 W347L260-P262 WeakPolarHBondContact O-CD 3.34Å; P262-M314 HydrophobicContact CG-CB 4.21Å; P262-M314 HydrophobicContact CG-SD 4.01Å; P262-W347 HydrophobicContact CB-CH2 3.55Å; P262-W347 HydrophobicContact CB-CZ3 3.94Å; P262-W347 HydrophobicContact CG-CH2 3.85Å
263F86.1Confident85.6Confident92 Ų9234.8 Ų34.840%0.40419%0.187SC..SBendtrans-127.9136.6179.8-62.8-77000109.7V261 R265 V266 W347 L436V261-F263 VanDerWaalsContact C-N 3.35Å; V261-F263 WeakPolarHBondContact CG1-O 3.38Å; F263-R265 VanDerWaalsContact C-N 3.3Å; F263-R265 PolarHBondContact O-N 2.81Å; F263-V266 HydrophobicContact CB-CB 4.24Å; F263-V266 HydrophobicContact CB-CG2 4.17Å; F263-V266 CarbonylContact O-C 3.38Å; F263-V266 PolarHBondContact O-N 3.23Å; F263-W347 HydrophobicContact CE2-CH2 4.27Å; F263-W347 HydrophobicContact CE2-CZ2 4Å; F263-L436 HydrophobicContact CD2-CD1 4.01Å; F263-L436 HydrophobicContact CD2-CD2 3.9Å; F263-L436 HydrophobicContact CE2-CD1 4.34Å; F263-L436 HydrophobicContact CE2-CD2 3.4Å; F263-L436 HydrophobicContact CZ-CD2 4.08Å
264P85.3Confident86.4Confident112 Ų11234.9 Ų34.973%0.72719%0.188SC*.THydrogen-bonded Turntrans-55.3-37.1-175.2-29.135.7000115.1V266 H267P264-V266 VanDerWaalsContact C-N 3.32Å; P264-V266 PolarHBondContact O-N 3.02Å; P264-H267 PolarHBondContact O-ND1 2.71Å
265R88Confident87Confident84 Ų8431.7 Ų31.732%0.31717%0.169SC..THydrogen-bonded Turntrans-73.7-21.6177.8-69.4176.564.9100.34113.3F263 H267 D425 L429 D432F263-R265 VanDerWaalsContact C-N 3.3Å; F263-R265 PolarHBondContact O-N 2.81Å; R265-H267 PolarHBondContact O-N 3.19Å; R265-D425 IonicContact CZ-OD1 3.91Å; R265-D425 IonicContact NH1-OD1 3.35Å; R265-D425 PolarHBondContact NH1-OD1 2.8Å; R265-D425 PolarHBondContact NH2-O 3.4Å; R265-D425 IonicContact NH2-OD1 2.89Å; R265-D425 PolarHBondContact NH2-OD1 2.95Å; R265-L429 HydrophobicContact CB-CD1 4.25Å; R265-L429 WeakPolarHBondContact O-CD1 3.38Å; R265-D432 IonicContact CZ-OD2 3.04Å; R265-D432 IonicContact NE-OD2 3.93Å; R265-D432 PolarHBondContact NE-OD2 2.91Å; R265-D432 IonicContact NH2-OD2 3.7Å
266V89.5Confident87.4Confident3 Ų328.3 Ų28.32%0.01815%0.153CC..  trans-10460.5-171.8-172.10000109.6F263 P264 M314 N381 Y433 L436F263-V266 HydrophobicContact CB-CB 4.24Å; F263-V266 HydrophobicContact CB-CG2 4.17Å; F263-V266 CarbonylContact O-C 3.38Å; F263-V266 PolarHBondContact O-N 3.23Å; P264-V266 VanDerWaalsContact C-N 3.32Å; P264-V266 PolarHBondContact O-N 3.02Å; V266-M314 HydrophobicContact CG1-CE 3.69Å; V266-M314 HydrophobicContact CG1-SD 3.98Å; V266-N381 PolarHBondContact O-ND2 2.86Å; V266-Y433 HydrophobicContact CG1-CD1 4.09Å; V266-Y433 HydrophobicContact CG1-CE1 3.39Å; V266-L436 HydrophobicContact CG1-CD1 4.27Å; V266-L436 HydrophobicContact CG2-CD1 3.81Å
267H91.6Very high87.8Confident0 Ų029.2 Ų29.20%016%0.158CC..  trans-110.826.3-170.564.8-104.6000114.1L196 C201 A202 V261 P264 R265 P269L196-H267 PolarHBondContact O-CE1 2.72Å; L196-H267 VanDerWaalsContact O-CE1 3.31Å; C201-H267 WeakPolarHBondContact CA-O 3.29Å; A202-H267 PolarHBondContact N-O 3.46Å; V261-H267 HydrophobicContact CB-CB 4.39Å; V261-H267 HydrophobicContact CG1-CB 3.62Å; V261-H267 HydrophobicContact CG2-CB 3.8Å; P264-H267 PolarHBondContact O-ND1 2.71Å; R265-H267 PolarHBondContact O-N 3.19Å; H267-P269 VanDerWaalsContact C-CD 3.41Å; H267-P269 WeakPolarHBondContact O-CD 3.46Å
268F92.2Very high87.9Confident1 Ų127 Ų270%0.00415%0.148CC..  trans-107.979.3-178.6-57.5-84.4000111.9T192 L196 A202 M204 I385 W389 L429T192-F268 HydrophobicContact CG2-CZ 4.19Å; L196-F268 HydrophobicContact CD1-CE2 3.61Å; L196-F268 HydrophobicContact CD1-CZ 3.71Å; A202-F268 HydrophobicContact CB-CD1 3.66Å; A202-F268 HydrophobicContact CB-CE1 3.67Å; A202-F268 WeakPolarHBondContact O-CA 3.33Å; M204-F268 HydrophobicContact CG-CD1 4.14Å; M204-F268 HydrophobicContact SD-CB 4.28Å; M204-F268 HydrophobicContact SD-CD1 3.96Å; M204-F268 HydrophobicContact SD-CG 4.37Å; F268-I385 HydrophobicContact CB-CD1 3.85Å; F268-I385 VanDerWaalsContact O-CD1 3.3Å; F268-I385 WeakPolarHBondContact O-CD1 3.41Å; F268-W389 AromaticContact CD1-CZ2 3.79Å; F268-W389 HydrophobicContact CD1-CZ2 3.79Å; F268-W389 HydrophobicContact CD2-CZ2 4.16Å; F268-W389 HydrophobicContact CE1-CH2 4.12Å; F268-W389 AromaticContact CE1-CZ2 3.71Å; F268-W389 HydrophobicContact CE1-CZ2 3.71Å; F268-W389 HydrophobicContact CE2-CZ2 4.07Å; F268-W389 HydrophobicContact CG-CZ2 4.01Å; F268-W389 HydrophobicContact CZ-CH2 4.28Å; F268-W389 AromaticContact CZ-CZ2 3.85Å; F268-W389 HydrophobicContact CZ-CZ2 3.85Å; F268-L429 HydrophobicContact CE2-CD2 4.07Å
269P91.3Very high87.6Confident0 Ų024 Ų240%014%0.135CC..PPolyproline II helixtrans-69.4137.6175.829-35.6000111.7C201 A202 F203 L260 H267C201-P269 VanDerWaalsContact SG-CG 3.52Å; A202-P269 WeakPolarHBondContact O-CD 3.33Å; F203-P269 HydrophobicContact CD1-CB 4.5Å; F203-P269 HydrophobicContact CD1-CG 3.55Å; F203-P269 HydrophobicContact CE1-CB 4.39Å; F203-P269 HydrophobicContact CE1-CG 3.47Å; F203-P269 VanDerWaalsContact CE1-CG 3.47Å; F203-P269 HydrophobicContact CZ-CG 4.45Å; L260-P269 HydrophobicContact CD1-CB 4.22Å; L260-P269 HydrophobicContact CD1-CG 4.26Å; H267-P269 VanDerWaalsContact C-CD 3.41Å; H267-P269 WeakPolarHBondContact O-CD 3.46Å
270L90.6Very high87.2Confident0 Ų029.8 Ų29.80%016%0.161CC..EExtended strand (participates in β ladder)trans-73.6134168.8-179.468.6000110Q302 V304 L379 S380 T382L270-Q302 HydrophobicContact CD2-CB 4.43Å; L270-Q302 HydrophobicContact CD2-CG 4Å; L270-V304 HydrophobicContact CD1-CB 3.5Å; L270-V304 VanDerWaalsContact CD1-CB 3.5Å; L270-V304 HydrophobicContact CD1-CG2 3.84Å; L270-L379 WeakPolarHBondContact O-CA 3.26Å; L270-S380 WeakPolarHBondContact CB-O 3.49Å; L270-S380 PolarHBondContact N-O 3.26Å; L270-S380 PolarHBondContact O-N 3.45Å; L270-T382 HydrophobicContact CB-CG2 4.2Å; L270-T382 HydrophobicContact CD2-CG2 4.17Å
271V92Very high86.8Confident1 Ų133.9 Ų33.91%0.00618%0.179CC..EExtended strand (participates in β ladder)trans-101.7137.4174.8-169.40000110.4F203 I235 I239 M303 L379F203-V271 HydrophobicContact CB-CG2 4.08Å; F203-V271 HydrophobicContact CD1-CG2 3.76Å; F203-V271 HydrophobicContact CG-CG2 4.31Å; I235-V271 HydrophobicContact CG2-CG1 3.36Å; I239-V271 HydrophobicContact CD1-CG1 4.32Å; I239-V271 HydrophobicContact CD1-CG2 4.46Å; V271-M303 HydrophobicContact CB-CB 4.28Å; V271-M303 HydrophobicContact CB-CG 4.13Å; V271-M303 HydrophobicContact CG1-CG 4.33Å; V271-M303 VanDerWaalsContact O-CB 3.3Å; V271-M303 WeakPolarHBondContact O-CB 3.49Å; V271-M303 VanDerWaalsContact O-CG 3.27Å; V271-M303 WeakPolarHBondContact O-CG 3.37Å; V271-M303 PolarHBondContact O-N 2.88Å; V271-L379 HydrophobicContact CB-CD2 4.17Å; V271-L379 HydrophobicContact CG1-CD2 3.85Å; V271-L379 HydrophobicContact CG2-CD2 3.68Å
272T92.9Very high86Confident0 Ų034.6 Ų34.60%019%0.186CC..EExtended strand (participates in β ladder)trans-137.4138.1173.7-55.60000109.4C296 N301 Q302 C377 M378T272-C296 HydrophobicContact CG2-CB 4.14Å; T272-C296 VanDerWaalsContact CG2-O 3.29Å; T272-C296 WeakPolarHBondContact CG2-O 3.48Å; T272-N301 HydrophobicContact CG2-CB 3.98Å; T272-N301 WeakPolarHBondContact CG2-O 3.43Å; T272-Q302 HydrophobicContact CG2-CG 4.32Å; T272-Q302 WeakPolarHBondContact OG1-CG 3.23Å; T272-C377 CarbonylContact O-C 3.56Å; T272-C377 WeakPolarHBondContact O-CA 3.4Å; T272-M378 PolarHBondContact N-O 3.25Å; T272-M378 PolarHBondContact O-N 2.86Å
273Y92.3Very high85Confident3 Ų342.3 Ų42.31%0.01221%0.211CC..EExtended strand (participates in β ladder)trans-128.6137.2-178.3-175.3-96.2000111.2I235 S238 P275 I276 A375 C377I235-Y273 HydrophobicContact CG1-CD2 4.43Å; I235-Y273 HydrophobicContact CG1-CG 4.19Å; S238-Y273 WeakPolarHBondContact OG-CE2 3.3Å; Y273-P275 WeakPolarHBondContact CE1-O 3.29Å; Y273-I276 HydrophobicContact CD1-CD1 4.1Å; Y273-I276 HydrophobicContact CD1-CG1 3.64Å; Y273-I276 HydrophobicContact CE1-CG1 4.25Å; Y273-A375 HydrophobicContact CE2-CB 4.11Å; Y273-A375 WeakPolarHBondContact OH-CB 3.43Å; Y273-C377 HydrophobicContact CD2-CB 4.08Å
274S91.3Very high83.9Confident3 Ų345.9 Ų45.92%0.02123%0.228CC..EExtended strand (participates in β ladder)trans-150142.1179.2176.50000110.5I292 S295 A375 V376S274-I292 PolarHBondContact OG-O 2.85Å; S274-S295 WeakPolarHBondContact OG-CB 3.19Å; S274-A375 CarbonylContact O-C 3.55Å; S274-A375 WeakPolarHBondContact O-CA 3.46Å; S274-V376 PolarHBondContact N-O 3.24Å; S274-V376 WeakPolarHBondContact O-CG1 3.22Å; S274-V376 PolarHBondContact O-N 3.09Å; S274-V376 VanDerWaalsContact O-O 3.09Å
275P90.1Very high83Confident9 Ų946.2 Ų46.26%0.05822%0.22CC..  cis-88.5154.2-2.636.1-34.8000112.4Y273 I277 L287 I292 V372 R374Y273-P275 WeakPolarHBondContact CE1-O 3.29Å; P275-I277 HydrophobicContact CB-CD1 3.84Å; P275-I277 HydrophobicContact CB-CG1 4.08Å; P275-I277 HydrophobicContact CG-CD1 4.16Å; P275-L287 HydrophobicContact CB-CD1 3.33Å; P275-L287 HydrophobicContact CG-CD1 3.91Å; P275-I292 HydrophobicContact CB-CG2 4.38Å; P275-I292 HydrophobicContact CG-CG2 4.23Å; P275-V372 HydrophobicContact CG-CB 4.5Å; P275-V372 HydrophobicContact CG-CG1 4.15Å; P275-R374 WeakPolarHBondContact CD-O 3.46Å
276I86.8Confident82.1Confident9 Ų950.1 Ų50.15%0.04624%0.242CC..  trans-116.6102.8172-58.5172.9000106.4I213 N217 M218 L231 Y273 M303I213-I276 HydrophobicContact CG2-CB 4.36Å; I213-I276 HydrophobicContact CG2-CD1 3.45Å; I213-I276 VanDerWaalsContact CG2-CD1 3.45Å; I213-I276 HydrophobicContact CG2-CG1 4.48Å; I213-I276 HydrophobicContact CG2-CG2 3.89Å; N217-I276 HydrophobicContact CB-CB 4.35Å; N217-I276 HydrophobicContact CB-CG2 4Å; N217-I276 WeakPolarHBondContact CB-O 3.35Å; N217-I276 PolarHBondContact ND2-O 2.84Å; M218-I276 HydrophobicContact CE-CG2 3.49Å; M218-I276 VanDerWaalsContact CE-CG2 3.49Å; M218-I276 HydrophobicContact CG-CG2 4.32Å; L231-I276 HydrophobicContact CD1-CD1 3.98Å; L231-I276 HydrophobicContact CD1-CG1 4.27Å; L231-I276 HydrophobicContact CD1-CG2 4.43Å; L231-I276 HydrophobicContact CD2-CD1 4.34Å; Y273-I276 HydrophobicContact CD1-CD1 4.1Å; Y273-I276 HydrophobicContact CD1-CG1 3.64Å; Y273-I276 HydrophobicContact CE1-CG1 4.25Å; I276-M303 HydrophobicContact CD1-CE 4.11Å
277I84.7Confident81.8Confident21 Ų2152 Ų5211%0.10825%0.251CS..  trans-129.5137.5-174.4-56.3163.2000108.9P275 K281 L287 A370P275-I277 HydrophobicContact CB-CD1 3.84Å; P275-I277 HydrophobicContact CB-CG1 4.08Å; P275-I277 HydrophobicContact CG-CD1 4.16Å; I277-K281 HydrophobicContact CG2-CB 3.63Å; I277-L287 HydrophobicContact CD1-CD1 3.74Å; I277-A370 HydrophobicContact CB-CB 4.45Å; I277-A370 WeakPolarHBondContact O-CB 3.42Å; I277-A370 PolarHBondContact O-N 3.05Å
278S83.3Confident81.8Confident13 Ų1355 Ų559%0.09127%0.27CS..BIsolated β-bridgetrans-61.7145.2170.5177.40000111.8E280 K281 A282 D368S278-E280 PolarHBondContact O-N 3.29Å; S278-E280 PolarHBondContact OG-N 3.31Å; S278-K281 PolarHBondContact O-N 3.44Å; S278-A282 PolarHBondContact O-N 2.83Å; S278-D368 WeakPolarHBondContact CA-O 3.49Å
279A77.8Confident81.7Confident46 Ų4655.2 Ų55.238%0.3827%0.271SS..THydrogen-bonded Turntrans-50.4-30.9174.300000113.8A282 D368A279-A282 WeakPolarHBondContact O-CB 3.4Å; A279-D368 PolarHBondContact N-O 3.39Å; A279-D368 VanDerWaalsContact N-O 3.1Å
280E75.4Confident81.7Confident159 Ų15957.2 Ų57.274%0.74329%0.288SS*.THydrogen-bonded Turntrans-75.1-36.6179.8-60.7-175.2172.300113.1S278 A282S278-E280 PolarHBondContact O-N 3.29Å; S278-E280 PolarHBondContact OG-N 3.31Å; E280-A282 VanDerWaalsContact C-N 3.34Å
281K73.8Confident81.7Confident88 Ų8861.6 Ų61.638%0.38331%0.308SS..G310 helixtrans-81.4-15.2-177.9-70.1179.6-175.7165.40113D219 I277 S278 Y283 H284D219-K281 IonicContact OD1-NZ 3.1Å; D219-K281 PolarHBondContact OD1-NZ 3.32Å; D219-K281 VanDerWaalsContact OD1-NZ 3.1Å; D219-K281 WeakPolarHBondContact OD2-CE 3.39Å; D219-K281 IonicContact OD2-NZ 2.64Å; D219-K281 PolarHBondContact OD2-NZ 2.95Å; I277-K281 HydrophobicContact CG2-CB 3.63Å; S278-K281 PolarHBondContact O-N 3.44Å; K281-Y283 PolarHBondContact O-N 2.95Å; K281-Y283 VanDerWaalsContact O-N 3.13Å; K281-H284 PolarHBondContact O-N 3.25Å; K281-H284 VanDerWaalsContact O-N 3.15Å
282A67.7Low81.7Confident33 Ų3361.5 Ų61.527%0.27331%0.308SS..G310 helixtrans-54-33.2-176.700000114.9S278 A279 E280 H284 A370S278-A282 PolarHBondContact O-N 2.83Å; A279-A282 WeakPolarHBondContact O-CB 3.4Å; E280-A282 VanDerWaalsContact C-N 3.34Å; A282-H284 VanDerWaalsContact C-N 3.28Å; A282-H284 PolarHBondContact O-N 3.48Å; A282-A370 HydrophobicContact CB-CB 3.39Å
283Y63Low81.7Confident212 Ų21261.5 Ų61.583%0.83131%0.308SS*.G310 helixtrans-74.6-17.8-175.6-69.9-77.5000113.8K281K281-Y283 PolarHBondContact O-N 2.95Å; K281-Y283 VanDerWaalsContact O-N 3.13Å
284H63.1Low81.6Confident167 Ų16762.6 Ų62.677%0.77332%0.316SS*.THydrogen-bonded Turntrans-99.4-21.6-170.4-69.8-63.4000113.9K281 A282K281-H284 PolarHBondContact O-N 3.25Å; K281-H284 VanDerWaalsContact O-N 3.15Å; A282-H284 VanDerWaalsContact C-N 3.28Å; A282-H284 PolarHBondContact O-N 3.48Å
285E65.9Low81.5Confident119 Ų11963.7 Ų63.756%0.55632%0.323SS*.  trans-130.2112-171.8-67.6-178.5-179.800111.9
286Q69.7Low81.5Confident166 Ų16663.2 Ų63.278%0.77632%0.321SS*.  trans-94.8102.8164.7-71.3-172.8-5.700108.7
287L83.1Confident81.6Confident41 Ų4163.7 Ų63.722%0.21532%0.322CS..  trans-76.6134.4179.2-64.5171.6000111.3P275 I277 E291 I292 R374P275-L287 HydrophobicContact CB-CD1 3.33Å; P275-L287 HydrophobicContact CG-CD1 3.91Å; I277-L287 HydrophobicContact CD1-CD1 3.74Å; L287-E291 HydrophobicContact CD2-CB 4.33Å; L287-I292 HydrophobicContact CB-CG2 3.65Å; L287-I292 HydrophobicContact CD1-CG2 4.09Å; L287-R374 VanDerWaalsContact O-CD 3.23Å; L287-R374 WeakPolarHBondContact O-CD 3.34Å; L287-R374 PolarHBondContact O-NE 2.79Å; L287-R374 VanDerWaalsContact O-NE 3.14Å
288T90.2Very high81.7Confident65 Ų6567 Ų6740%0.39934%0.338SS..  trans-79.4162.5174.763.90000111.3A290 E291 I292T288-A290 PolarHBondContact O-N 2.77Å; T288-E291 WeakPolarHBondContact CB-OE2 3.44Å; T288-E291 PolarHBondContact N-OE2 3.28Å; T288-E291 PolarHBondContact O-N 3.06Å; T288-E291 WeakPolarHBondContact OG1-CG 3.31Å; T288-E291 PolarHBondContact OG1-N 2.92Å; T288-E291 PolarHBondContact OG1-OE2 3.38Å; T288-I292 PolarHBondContact O-N 3.36Å; T288-I292 VanDerWaalsContact O-N 3.11Å
289V90.6Very high81.8Confident4 Ų468.7 Ų68.72%0.02435%0.348CS..Hα-helixtrans-55.8-42.4175.3-179.40000110.7E291 I292 T293 Y320 V324 D328 V329V289-E291 VanDerWaalsContact C-N 3.34Å; V289-E291 PolarHBondContact O-N 2.76Å; V289-I292 WeakPolarHBondContact O-CG1 3.4Å; V289-I292 PolarHBondContact O-N 3.45Å; V289-T293 WeakPolarHBondContact O-CB 3.25Å; V289-T293 PolarHBondContact O-N 3.33Å; V289-T293 PolarHBondContact O-OG1 3.46Å; V289-Y320 HydrophobicContact CG1-CE1 3.99Å; V289-V324 HydrophobicContact CG1-CG1 4.43Å; V289-V324 HydrophobicContact CG2-CG1 4.21Å; V289-D328 HydrophobicContact CB-CB 4.22Å; V289-D328 HydrophobicContact CG1-CB 4.46Å; V289-D328 HydrophobicContact CG2-CB 4.3Å; V289-V329 HydrophobicContact CG1-CG2 3.85Å
290A91.4Very high82.2Confident43 Ų4369.3 Ų69.336%0.35535%0.347SS..Hα-helixtrans-64.1-36.1-17900000113.6T288 S294 A332T288-A290 PolarHBondContact O-N 2.77Å; A290-S294 WeakPolarHBondContact O-CB 3.43Å; A290-S294 PolarHBondContact O-N 3.47Å; A290-S294 PolarHBondContact O-OG 3.13Å; A290-A332 HydrophobicContact CB-CB 4.37Å
291E90.9Very high82.8Confident91 Ų9162.4 Ų62.443%0.42532%0.315SS..Hα-helixtrans-72-47.6178.7-72.7160.815900111.5L287 T288 V289 T293 S294 S295L287-E291 HydrophobicContact CD2-CB 4.33Å; T288-E291 WeakPolarHBondContact CB-OE2 3.44Å; T288-E291 PolarHBondContact N-OE2 3.28Å; T288-E291 PolarHBondContact O-N 3.06Å; T288-E291 WeakPolarHBondContact OG1-CG 3.31Å; T288-E291 PolarHBondContact OG1-N 2.92Å; T288-E291 PolarHBondContact OG1-OE2 3.38Å; V289-E291 VanDerWaalsContact C-N 3.34Å; V289-E291 PolarHBondContact O-N 2.76Å; E291-T293 VanDerWaalsContact C-N 3.29Å; E291-T293 PolarHBondContact O-N 2.86Å; E291-S294 PolarHBondContact O-N 2.8Å; E291-S295 WeakPolarHBondContact O-CB 3.45Å; E291-S295 PolarHBondContact O-N 3.25Å; E291-S295 PolarHBondContact O-OG 3.17Å
292I92.3Very high83.5Confident0 Ų058.4 Ų58.40%030%0.298CS..Hα-helixtrans-62.6-39.7178.365.5174.7000110.9S274 P275 L287 T288 V289 S295 C296 Y320 R374 V376S274-I292 PolarHBondContact OG-O 2.85Å; P275-I292 HydrophobicContact CB-CG2 4.38Å; P275-I292 HydrophobicContact CG-CG2 4.23Å; L287-I292 HydrophobicContact CB-CG2 3.65Å; L287-I292 HydrophobicContact CD1-CG2 4.09Å; T288-I292 PolarHBondContact O-N 3.36Å; T288-I292 VanDerWaalsContact O-N 3.11Å; V289-I292 WeakPolarHBondContact O-CG1 3.4Å; V289-I292 PolarHBondContact O-N 3.45Å; I292-S295 PolarHBondContact O-N 3.35Å; I292-C296 PolarHBondContact O-N 3.14Å; I292-C296 PolarHBondContact O-SG 3.27Å; I292-Y320 HydrophobicContact CD1-CD1 4.35Å; I292-Y320 HydrophobicContact CD1-CE1 4.36Å; I292-R374 HydrophobicContact CD1-CB 4.44Å; I292-R374 HydrophobicContact CD1-CG 4.04Å; I292-V376 HydrophobicContact CB-CG1 3.88Å; I292-V376 HydrophobicContact CD1-CB 4.25Å; I292-V376 HydrophobicContact CD1-CG1 3.95Å; I292-V376 HydrophobicContact CG1-CG1 3.84Å
293T92.3Very high84.4Confident0 Ų056.8 Ų56.80%029%0.285CS..Hα-helixtrans-67.5-40.7177.9-51.70000111.2V289 E291 S295 C296 F297 M318 Y320 A332 I336V289-T293 WeakPolarHBondContact O-CB 3.25Å; V289-T293 PolarHBondContact O-N 3.33Å; V289-T293 PolarHBondContact O-OG1 3.46Å; E291-T293 VanDerWaalsContact C-N 3.29Å; E291-T293 PolarHBondContact O-N 2.86Å; T293-S295 VanDerWaalsContact C-N 3.31Å; T293-S295 PolarHBondContact O-N 3.46Å; T293-C296 WeakPolarHBondContact O-CB 3.39Å; T293-C296 PolarHBondContact O-N 2.91Å; T293-F297 WeakPolarHBondContact O-CD2 3.35Å; T293-M318 HydrophobicContact CG2-CE 3.43Å; T293-M318 VanDerWaalsContact CG2-CE 3.43Å; T293-Y320 WeakPolarHBondContact CG2-OH 3.22Å; T293-Y320 WeakPolarHBondContact OG1-CE1 3.29Å; T293-Y320 PolarHBondContact OG1-OH 3.29Å; T293-A332 HydrophobicContact CG2-CB 4.24Å; T293-I336 HydrophobicContact CG2-CD1 3.16Å
294S90.3Very high85.5Confident25 Ų2546.7 Ų46.718%0.17525%0.245CC..Hα-helixtrans-64.1-38.9176-66.10000111.8A290 E291 C296 F297 R339A290-S294 WeakPolarHBondContact O-CB 3.43Å; A290-S294 PolarHBondContact O-N 3.47Å; A290-S294 PolarHBondContact O-OG 3.13Å; E291-S294 PolarHBondContact O-N 2.8Å; S294-C296 PolarHBondContact O-N 2.99Å; S294-F297 PolarHBondContact O-N 3.41Å; S294-F297 VanDerWaalsContact O-N 3.1Å; S294-R339 PolarHBondContact OG-NH2 2.77Å; S294-R339 VanDerWaalsContact OG-NH2 3.15Å
295S90.1Very high86.6Confident26 Ų2641.7 Ų41.718%0.18222%0.221CC..Hα-helixtrans-65-24.4179.5-55.80000112.6S274 E291 I292 T293 F297 E298 N301S274-S295 WeakPolarHBondContact OG-CB 3.19Å; E291-S295 WeakPolarHBondContact O-CB 3.45Å; E291-S295 PolarHBondContact O-N 3.25Å; E291-S295 PolarHBondContact O-OG 3.17Å; I292-S295 PolarHBondContact O-N 3.35Å; T293-S295 VanDerWaalsContact C-N 3.31Å; T293-S295 PolarHBondContact O-N 3.46Å; S295-F297 PolarHBondContact O-N 2.88Å; S295-E298 WeakPolarHBondContact O-CB 3.44Å; S295-E298 PolarHBondContact O-N 3.4Å; S295-N301 PolarHBondContact O-ND2 2.71Å
296C90.3Very high87.6Confident0 Ų036.5 Ų36.50%020%0.198CC..THydrogen-bonded Turntrans-66.1-23.6173.4-68.80000113.7T272 I292 T293 S294 E298 M318 V376 M378T272-C296 HydrophobicContact CG2-CB 4.14Å; T272-C296 VanDerWaalsContact CG2-O 3.29Å; T272-C296 WeakPolarHBondContact CG2-O 3.48Å; I292-C296 PolarHBondContact O-N 3.14Å; I292-C296 PolarHBondContact O-SG 3.27Å; T293-C296 WeakPolarHBondContact O-CB 3.39Å; T293-C296 PolarHBondContact O-N 2.91Å; S294-C296 PolarHBondContact O-N 2.99Å; C296-E298 VanDerWaalsContact C-N 3.31Å; C296-M318 HydrophobicContact CB-CE 4.17Å; C296-V376 WeakPolarHBondContact SG-CG1 3.43Å; C296-M378 HydrophobicContact CB-CB 3.93Å; C296-M378 HydrophobicContact CB-CE 4.22Å; C296-M378 HydrophobicContact CB-SD 3.87Å; C296-M378 WeakPolarHBondContact O-CE 3.36Å
297F88Confident88.3Confident19 Ų1930.8 Ų30.88%0.08317%0.173CC..THydrogen-bonded Turntrans-91.62.7177.7-69.1-84.9000112.7T293 S294 S295 M318 I336 I342 F352 M378T293-F297 WeakPolarHBondContact O-CD2 3.35Å; S294-F297 PolarHBondContact O-N 3.41Å; S294-F297 VanDerWaalsContact O-N 3.1Å; S295-F297 PolarHBondContact O-N 2.88Å; F297-M318 HydrophobicContact CE2-CE 4.33Å; F297-I336 HydrophobicContact CD2-CD1 3.91Å; F297-I336 HydrophobicContact CD2-CG1 4.48Å; F297-I336 HydrophobicContact CD2-CG2 3.91Å; F297-I336 HydrophobicContact CE1-CG2 4.36Å; F297-I336 HydrophobicContact CE2-CD1 3.76Å; F297-I336 HydrophobicContact CE2-CG2 3.59Å; F297-I336 HydrophobicContact CG-CG2 4.45Å; F297-I336 HydrophobicContact CZ-CG2 3.84Å; F297-I342 HydrophobicContact CB-CD1 4.18Å; F297-I342 HydrophobicContact CD1-CD1 3.41Å; F297-I342 VanDerWaalsContact CD1-CD1 3.41Å; F297-I342 HydrophobicContact CD1-CG1 3.86Å; F297-I342 HydrophobicContact CD2-CD1 4.25Å; F297-I342 HydrophobicContact CE1-CD1 3.83Å; F297-I342 HydrophobicContact CE1-CG1 4.35Å; F297-I342 HydrophobicContact CE1-CG2 4.28Å; F297-I342 HydrophobicContact CG-CD1 3.65Å; F297-I342 HydrophobicContact CG-CG1 4.44Å; F297-I342 HydrophobicContact CZ-CD1 4.43Å; F297-F352 HydrophobicContact CE1-CZ 4.44Å; F297-F352 HydrophobicContact CE2-CE1 4.38Å; F297-F352 AromaticContact CZ-CE1 3.69Å; F297-F352 HydrophobicContact CZ-CE1 3.69Å; F297-F352 AromaticContact CZ-CZ 3.77Å; F297-F352 HydrophobicContact CZ-CZ 3.77Å; F297-M378 HydrophobicContact CD1-CE 4.47Å; F297-M378 HydrophobicContact CD1-SD 4.35Å; F297-M378 HydrophobicContact CD2-SD 4.39Å; F297-M378 HydrophobicContact CE1-CE 4.35Å; F297-M378 HydrophobicContact CE1-SD 3.79Å; F297-M378 HydrophobicContact CE2-SD 3.81Å; F297-M378 HydrophobicContact CZ-SD 3.47Å; F297-M378 WeakPolarHBondContact CZ-SD 3.5Å
298E87.6Confident88.3Confident91 Ų9129 Ų2943%0.42516%0.164SC..SBendtrans-85.1127.9174.1-63.4-173.1165.900110.1S295 C296 T300 N301S295-E298 WeakPolarHBondContact O-CB 3.44Å; S295-E298 PolarHBondContact O-N 3.4Å; C296-E298 VanDerWaalsContact C-N 3.31Å; E298-T300 PolarHBondContact O-N 3.42Å; E298-N301 PolarHBondContact O-N 2.86Å
299P85.1Confident88Confident48 Ų4833.8 Ų33.831%0.31217%0.174SC..G310 helixtrans-58.2-20.3179.1-25.133.9000114.1N301 Q302P299-N301 VanDerWaalsContact C-N 3.28Å; P299-N301 PolarHBondContact O-N 3.19Å; P299-Q302 PolarHBondContact O-N 2.95Å
300T85.7Confident87.7Confident59 Ų5943.3 Ų43.336%0.36221%0.21SC..G310 helixtrans-70.1-22.3-178.649.20000114.1I213 E298I213-T300 WeakPolarHBondContact CG1-O 3.27Å; E298-T300 PolarHBondContact O-N 3.42Å
301N87.1Confident87.4Confident13 Ų1341.5 Ų41.57%0.0720%0.195CC..G310 helixtrans-102.41.8-177.2-60-37.6000112.5T272 S295 E298 P299T272-N301 HydrophobicContact CG2-CB 3.98Å; T272-N301 WeakPolarHBondContact CG2-O 3.43Å; S295-N301 PolarHBondContact O-ND2 2.71Å; E298-N301 PolarHBondContact O-N 2.86Å; P299-N301 VanDerWaalsContact C-N 3.28Å; P299-N301 PolarHBondContact O-N 3.19Å
302Q88.8Confident87.2Confident4 Ų438.4 Ų38.42%0.01918%0.18CC..BIsolated β-bridgetrans-77.6142.5-177.6-71.9172.12.800111.3A209 L270 T272 P299 V304 C306A209-Q302 WeakPolarHBondContact CB-O 3.16Å; L270-Q302 HydrophobicContact CD2-CB 4.43Å; L270-Q302 HydrophobicContact CD2-CG 4Å; T272-Q302 HydrophobicContact CG2-CG 4.32Å; T272-Q302 WeakPolarHBondContact OG1-CG 3.23Å; P299-Q302 PolarHBondContact O-N 2.95Å; Q302-V304 VanDerWaalsContact C-N 3.28Å; Q302-V304 PolarHBondContact O-N 2.96Å; Q302-C306 PolarHBondContact OE1-O 3.09Å
303M86.2Confident87.1Confident0 Ų038.7 Ų38.70%018%0.181CC..SBendtrans-83.6-5.3-179.3-60.2-61.615900113.2D206 I210 I213 I235 V271 I276D206-M303 WeakPolarHBondContact CA-O 3.46Å; D206-M303 WeakPolarHBondContact CB-O 3.39Å; D206-M303 PolarHBondContact N-O 3.23Å; I210-M303 HydrophobicContact CD1-SD 4.46Å; I210-M303 HydrophobicContact CG1-SD 3.87Å; I213-M303 HydrophobicContact CD1-CE 4.13Å; I213-M303 HydrophobicContact CD1-SD 4.11Å; I235-M303 HydrophobicContact CD1-CE 3.27Å; I235-M303 HydrophobicContact CD1-CG 3.89Å; I235-M303 HydrophobicContact CD1-SD 3.4Å; I235-M303 WeakPolarHBondContact CD1-SD 3.49Å; I235-M303 HydrophobicContact CG1-CE 4.05Å; V271-M303 HydrophobicContact CB-CB 4.28Å; V271-M303 HydrophobicContact CB-CG 4.13Å; V271-M303 HydrophobicContact CG1-CG 4.33Å; V271-M303 VanDerWaalsContact O-CB 3.3Å; V271-M303 WeakPolarHBondContact O-CB 3.49Å; V271-M303 VanDerWaalsContact O-CG 3.27Å; V271-M303 WeakPolarHBondContact O-CG 3.37Å; V271-M303 PolarHBondContact O-N 2.88Å; I276-M303 HydrophobicContact CD1-CE 4.11Å
304V87.3Confident86.9Confident0 Ų038.8 Ų38.80%018%0.182CC..SBendtrans-130.1134.7171.3-177.70000107.6M204 D206 L270 Q302 C306 A388M204-V304 HydrophobicContact CB-CG2 3.88Å; M204-V304 HydrophobicContact CE-CG1 4.43Å; M204-V304 WeakPolarHBondContact O-CG2 3.41Å; D206-V304 HydrophobicContact CB-CB 4.37Å; D206-V304 HydrophobicContact CB-CG1 4.43Å; D206-V304 HydrophobicContact CB-CG2 4.36Å; L270-V304 HydrophobicContact CD1-CB 3.5Å; L270-V304 VanDerWaalsContact CD1-CB 3.5Å; L270-V304 HydrophobicContact CD1-CG2 3.84Å; Q302-V304 VanDerWaalsContact C-N 3.28Å; Q302-V304 PolarHBondContact O-N 2.96Å; V304-C306 PolarHBondContact O-N 3.3Å; V304-A388 HydrophobicContact CG1-CB 4Å
305K86.4Confident86.7Confident62 Ų6238 Ų3827%0.2718%0.177SC..  trans-70.897.1174.2-69.7-168.6174.7-169.80110.2D206 E208 A209 D212 R391D206-K305 PolarHBondContact OD2-N 3.15Å; E208-K305 HydrophobicContact CB-CD 4.24Å; E208-K305 HydrophobicContact CG-CD 4.3Å; E208-K305 IonicContact OE1-NZ 2.68Å; E208-K305 PolarHBondContact OE1-NZ 3.12Å; A209-K305 HydrophobicContact CB-CG 4.04Å; D212-K305 WeakPolarHBondContact OD2-CE 3.34Å; D212-K305 IonicContact OD2-NZ 2.64Å; D212-K305 PolarHBondContact OD2-NZ 3.08Å; K305-R391 VanDerWaalsContact O-CZ 3.28Å; K305-R391 PolarHBondContact O-NH1 3.44Å; K305-R391 PolarHBondContact O-NH2 3.16Å
306C85.4Confident86.7Confident10 Ų1036.8 Ų36.87%0.06817%0.169CC..  trans-144161.9166.5570000109.2Q302 V304 P308 A384Q302-C306 PolarHBondContact OE1-O 3.09Å; V304-C306 PolarHBondContact O-N 3.3Å; C306-P308 WeakPolarHBondContact O-CD 3.43Å; C306-A384 HydrophobicContact CB-CB 4.32Å; C306-A384 WeakPolarHBondContact CB-O 3.45Å
307D85.8Confident86.6Confident45 Ų4536.9 Ų36.924%0.24117%0.169CC..  trans-102.1100.5171.6-172.20.5000110R309 R310 A384D307-R309 PolarHBondContact O-N 3.11Å; D307-R309 VanDerWaalsContact O-N 3.08Å; D307-R309 VanDerWaalsContact OD1-CB 3.27Å; D307-R309 WeakPolarHBondContact OD1-CB 3.36Å; D307-R309 WeakPolarHBondContact OD1-CG 3.34Å; D307-R309 PolarHBondContact OD1-N 2.89Å; D307-R309 VanDerWaalsContact OD1-N 3.13Å; D307-R310 HydrophobicContact CB-CG 4.23Å; D307-R310 PolarHBondContact O-N 3.01Å; D307-R310 IonicContact OD2-NE 3.61Å; D307-A384 WeakPolarHBondContact O-CB 3.37Å
308P82.8Confident86.7Confident5 Ų536 Ų363%0.03217%0.165CC..G310 helixtrans-63.3-17.3-180-612.4000113.5C306 R310 G311 Y313C306-P308 WeakPolarHBondContact O-CD 3.43Å; P308-R310 PolarHBondContact O-N 3.05Å; P308-G311 CarbonylContact O-C 3.56Å; P308-G311 PolarHBondContact O-N 2.87Å; P308-G311 VanDerWaalsContact O-N 3.13Å; P308-G311 VanDerWaalsContact O-O 3.11Å; P308-Y313 HydrophobicContact CB-CE2 4.23Å; P308-Y313 WeakPolarHBondContact CB-OH 3.28Å
309R83.2Confident86.8Confident164 Ų16432.1 Ų32.162%0.61915%0.147SC*.G310 helixtrans-69.2-20.5177.6-58.2171-178.5176.41.3112.1D307D307-R309 PolarHBondContact O-N 3.11Å; D307-R309 VanDerWaalsContact O-N 3.08Å; D307-R309 VanDerWaalsContact OD1-CB 3.27Å; D307-R309 WeakPolarHBondContact OD1-CB 3.36Å; D307-R309 WeakPolarHBondContact OD1-CG 3.34Å; D307-R309 PolarHBondContact OD1-N 2.89Å; D307-R309 VanDerWaalsContact OD1-N 3.13Å
310R84.2Confident87.1Confident205 Ų20529.9 Ų29.977%0.77413%0.133SC*.G310 helixtrans-89.3-11.1174.6-61.8-178.8179.4-167.8-5.1112.6D307 P308D307-R310 HydrophobicContact CB-CG 4.23Å; D307-R310 PolarHBondContact O-N 3.01Å; D307-R310 IonicContact OD2-NE 3.61Å; P308-R310 PolarHBondContact O-N 3.05Å
311G85.3Confident87.3Confident4 Ų427.3 Ų27.34%0.04112%0.116CC..SBendtrans-109.1178.6178.400000112.3P308 T383P308-G311 CarbonylContact O-C 3.56Å; P308-G311 PolarHBondContact O-N 2.87Å; P308-G311 VanDerWaalsContact O-N 3.13Å; P308-G311 VanDerWaalsContact O-O 3.11Å; G311-T383 WeakPolarHBondContact CA-OG1 3.18Å
312K88.1Confident87.4Confident27 Ų2726.7 Ų26.712%0.11711%0.113CC..  trans-116.1146170.8-65.2-178179.7173.90109.2Q343 V345 T382 T383 G437 S440K312-Q343 WeakPolarHBondContact CA-O 3.3Å; K312-Q343 HydrophobicContact CG-CB 4.4Å; K312-V345 HydrophobicContact CB-CG1 3.88Å; K312-V345 HydrophobicContact CD-CG1 4.48Å; K312-T382 VanDerWaalsContact O-CA 3.29Å; K312-T382 WeakPolarHBondContact O-CA 3.39Å; K312-T382 PolarHBondContact O-OG1 2.79Å; K312-T383 PolarHBondContact N-OG1 3.27Å; K312-T383 PolarHBondContact O-N 2.89Å; K312-G437 WeakPolarHBondContact CE-O 3.37Å; K312-G437 PolarHBondContact NZ-O 3.19Å; K312-S440 PolarHBondContact NZ-OG 3.02Å
313Y88.9Confident87.4Confident5 Ų531.1 Ų31.12%0.0214%0.137CC..EExtended strand (participates in β ladder)trans-86.4125.7174.7-71.3-81.3000109.9P308 I342 Q343 F344 V345P308-Y313 HydrophobicContact CB-CE2 4.23Å; P308-Y313 WeakPolarHBondContact CB-OH 3.28Å; Y313-I342 HydrophobicContact CD2-CG2 3.81Å; Y313-I342 HydrophobicContact CE2-CG2 3.94Å; Y313-Q343 PolarHBondContact N-O 3.07Å; Y313-F344 WeakPolarHBondContact O-CA 3.28Å; Y313-F344 WeakPolarHBondContact O-CD1 3.29Å; Y313-V345 PolarHBondContact O-N 3.35Å
314M88.4Confident87.5Confident2 Ų231.2 Ų31.21%0.0114%0.137CC..EExtended strand (participates in β ladder)trans-90.5-42.1173.5-67.4172.5-8500110.9P262 V266 V345 W347 C348 N381 T383 Y433 L436P262-M314 HydrophobicContact CG-CB 4.21Å; P262-M314 HydrophobicContact CG-SD 4.01Å; V266-M314 HydrophobicContact CG1-CE 3.69Å; V266-M314 HydrophobicContact CG1-SD 3.98Å; M314-V345 HydrophobicContact CG-CG1 4.06Å; M314-V345 HydrophobicContact CG-CG2 4.42Å; M314-W347 HydrophobicContact CB-CH2 4.07Å; M314-W347 HydrophobicContact CB-CZ2 4.48Å; M314-W347 HydrophobicContact CG-CH2 4.13Å; M314-W347 HydrophobicContact CG-CZ2 4.06Å; M314-C348 PolarHBondContact O-SG 3.12Å; M314-N381 HydrophobicContact CB-CB 4.47Å; M314-N381 HydrophobicContact CE-CB 4.4Å; M314-N381 WeakPolarHBondContact CE-OD1 3.43Å; M314-N381 PolarHBondContact N-O 3.13Å; M314-T383 HydrophobicContact CE-CG2 3.96Å; M314-Y433 HydrophobicContact CE-CE1 4.27Å; M314-L436 HydrophobicContact SD-CD1 4.02Å
315A86.9Confident87.6Confident8 Ų834.5 Ų34.57%0.06616%0.157CC..EExtended strand (participates in β ladder)trans-149.5148.1179.700000110.5N259 L260 S380 N381N259-A315 WeakPolarHBondContact O-CB 3.49Å; L260-A315 HydrophobicContact CD2-CB 4.42Å; A315-S380 CarbonylContact O-C 3.5Å; A315-S380 VanDerWaalsContact O-CA 3.28Å; A315-S380 WeakPolarHBondContact O-CA 3.43Å; A315-N381 HydrophobicContact CB-CB 4.35Å; A315-N381 PolarHBondContact N-O 3.09Å; A315-N381 PolarHBondContact O-N 3.17Å
316C88.7Confident87.8Confident2 Ų234.2 Ų34.21%0.01416%0.162CC..EExtended strand (participates in β ladder)trans-139.8121.9176-168.80000110.1F344 G351 F352 K353 M378 L379C316-F344 HydrophobicContact CB-CE1 4.32Å; C316-F344 HydrophobicContact CB-CZ 4.44Å; C316-G351 CarbonylContact C-O 3.59Å; C316-G351 WeakPolarHBondContact CA-O 3.43Å; C316-G351 PolarHBondContact N-O 2.72Å; C316-F352 HydrophobicContact CB-CD1 3.92Å; C316-F352 HydrophobicContact CB-CE1 3.93Å; C316-F352 CarbonylContact O-C 3.54Å; C316-F352 VanDerWaalsContact O-CA 3.29Å; C316-F352 WeakPolarHBondContact O-CA 3.17Å; C316-F352 VanDerWaalsContact SG-CE1 3.51Å; C316-K353 PolarHBondContact O-N 3.15Å; C316-M378 VanDerWaalsContact SG-SD 3.66Å; C316-L379 CarbonylContact C-O 3.56Å; C316-L379 WeakPolarHBondContact CA-O 3.33Å
317C88.8Confident88Confident1 Ų141.6 Ų41.61%0.00719%0.193CC..EExtended strand (participates in β ladder)trans-113.5128.1172.6-169.80000109.4L260 K353 M378 L379L260-C317 HydrophobicContact CD2-CB 3.89Å; C317-K353 CarbonylContact C-O 3.55Å; C317-K353 WeakPolarHBondContact CA-O 3.39Å; C317-K353 HydrophobicContact CB-CB 4.25Å; C317-M378 CarbonylContact O-C 3.02Å; C317-M378 WeakPolarHBondContact O-CA 3.46Å; C317-L379 HydrophobicContact CB-CB 4.29Å; C317-L379 PolarHBondContact N-O 3.14Å; C317-L379 PolarHBondContact O-N 3.07Å
318M89.9Confident88.3Confident0 Ų043 Ų430%020%0.2CC..EExtended strand (participates in β ladder)trans-110.6111.1179.3-59.9-64.1-85.600108.6T293 C296 F297 Y320 F352 K353 V354 G355 V376 M378T293-M318 HydrophobicContact CG2-CE 3.43Å; T293-M318 VanDerWaalsContact CG2-CE 3.43Å; C296-M318 HydrophobicContact CB-CE 4.17Å; F297-M318 HydrophobicContact CE2-CE 4.33Å; M318-Y320 HydrophobicContact CB-CD2 4.21Å; M318-Y320 HydrophobicContact CB-CE2 3.54Å; M318-F352 HydrophobicContact CG-CD1 4.14Å; M318-F352 HydrophobicContact CG-CE1 4.46Å; M318-K353 PolarHBondContact N-O 3.29Å; M318-V354 CarbonylContact O-C 3.54Å; M318-V354 WeakPolarHBondContact O-CA 3.21Å; M318-G355 PolarHBondContact O-N 3.36Å; M318-V376 HydrophobicContact CB-CG2 4.46Å; M318-V376 HydrophobicContact CE-CG2 3.88Å; M318-M378 HydrophobicContact CE-CB 4.33Å; M318-M378 HydrophobicContact CE-SD 4.42Å; M318-M378 HydrophobicContact SD-CB 3.51Å; M318-M378 VanDerWaalsContact SD-CB 3.51Å; M318-M378 HydrophobicContact SD-CG 3.36Å; M318-M378 WeakPolarHBondContact SD-CG 3.41Å; M318-M378 HydrophobicContact SD-SD 3.72Å
319L90.6Very high88.7Confident10 Ų1042.7 Ų42.75%0.05220%0.199CC..EExtended strand (participates in β ladder)trans-102.699.8-179.8-57.6176000109.1V251 F256 V376 C377 L379V251-L319 HydrophobicContact CG2-CD2 4.31Å; F256-L319 HydrophobicContact CE1-CD1 4.23Å; F256-L319 HydrophobicContact CZ-CD1 4.29Å; L319-V376 CarbonylContact O-C 3.58Å; L319-V376 WeakPolarHBondContact O-CA 3.39Å; L319-C377 HydrophobicContact CB-CB 4.28Å; L319-C377 WeakPolarHBondContact CB-O 3.43Å; L319-C377 PolarHBondContact N-O 3.32Å; L319-C377 PolarHBondContact O-N 3.38Å; L319-L379 HydrophobicContact CD1-CD1 3.88Å; L319-L379 HydrophobicContact CD1-CG 4.42Å
320Y91.4Very high89Confident2 Ų239.9 Ų39.91%0.00820%0.196CC..EExtended strand (participates in β ladder)trans-88.1143.2178.1-66.9-88.9000111.6V289 I292 T293 M318 V324 V329 V354 G355 I356 N357 A375 V376V289-Y320 HydrophobicContact CG1-CE1 3.99Å; I292-Y320 HydrophobicContact CD1-CD1 4.35Å; I292-Y320 HydrophobicContact CD1-CE1 4.36Å; T293-Y320 WeakPolarHBondContact CG2-OH 3.22Å; T293-Y320 WeakPolarHBondContact OG1-CE1 3.29Å; T293-Y320 PolarHBondContact OG1-OH 3.29Å; M318-Y320 HydrophobicContact CB-CD2 4.21Å; M318-Y320 HydrophobicContact CB-CE2 3.54Å; Y320-V324 HydrophobicContact CD1-CG1 4.01Å; Y320-V324 HydrophobicContact CD1-CG2 4.37Å; Y320-V324 HydrophobicContact CG-CG1 4.05Å; Y320-V329 HydrophobicContact CD1-CG2 4.33Å; Y320-V329 HydrophobicContact CD2-CG1 4.06Å; Y320-V329 HydrophobicContact CD2-CG2 4.09Å; Y320-V329 HydrophobicContact CE1-CG2 4.2Å; Y320-V329 HydrophobicContact CE2-CB 4.3Å; Y320-V329 HydrophobicContact CE2-CG1 3.34Å; Y320-V329 HydrophobicContact CE2-CG2 3.96Å; Y320-V329 HydrophobicContact CG-CG2 4.27Å; Y320-V354 HydrophobicContact CD2-CG1 4.02Å; Y320-V354 HydrophobicContact CE2-CG1 4.09Å; Y320-G355 PolarHBondContact N-O 3.33Å; Y320-I356 HydrophobicContact CD2-CG1 4.49Å; Y320-N357 PolarHBondContact O-N 3.43Å; Y320-A375 WeakPolarHBondContact CA-O 3.22Å; Y320-V376 HydrophobicContact CD1-CB 3.71Å; Y320-V376 HydrophobicContact CD1-CG2 3.81Å; Y320-V376 HydrophobicContact CD2-CG2 4.41Å; Y320-V376 HydrophobicContact CE1-CB 3.77Å; Y320-V376 HydrophobicContact CE1-CG1 4.45Å; Y320-V376 HydrophobicContact CE1-CG2 3.64Å; Y320-V376 HydrophobicContact CE2-CG2 4.26Å; Y320-V376 HydrophobicContact CG-CB 4.41Å; Y320-V376 HydrophobicContact CG-CG2 4.2Å
321R89.6Confident89.4Confident4 Ų432.5 Ų32.52%0.01518%0.178CC..EExtended strand (participates in β ladder)trans-130.2140.3174-72.3-165.858.8178.5-8.3111.4E27 S237 N357 P360 P361 R374 A375E27-R321 IonicContact OE1-CZ 3.38Å; E27-R321 IonicContact OE1-NH1 2.78Å; E27-R321 PolarHBondContact OE1-NH1 2.98Å; E27-R321 IonicContact OE1-NH2 3.24Å; E27-R321 PolarHBondContact OE1-NH2 3.49Å; E27-R321 IonicContact OE2-NH1 3.7Å; S237-R321 PolarHBondContact OG-NH1 3.25Å; R321-N357 CarbonylContact C-O 3.59Å; R321-N357 VanDerWaalsContact CA-O 3.24Å; R321-N357 WeakPolarHBondContact CA-O 3.49Å; R321-N357 HydrophobicContact CG-CB 4.3Å; R321-P360 PolarHBondContact NH2-O 3.47Å; R321-P360 VanDerWaalsContact NH2-O 3.08Å; R321-P361 HydrophobicContact CB-CG 3.99Å; R321-R374 CarbonylContact O-C 3.51Å; R321-R374 WeakPolarHBondContact O-CA 3.16Å; R321-A375 PolarHBondContact N-O 3.29Å; R321-A375 PolarHBondContact O-N 2.79Å
322G88.9Confident89.7Confident0 Ų032.4 Ų32.40%018%0.178CC..EExtended strand (participates in β ladder)trans96.4-147.7173.200000114.4V324 N357 Q359 Q373G322-V324 VanDerWaalsContact C-N 3.34Å; G322-V324 PolarHBondContact O-N 2.95Å; G322-N357 PolarHBondContact N-O 3.09Å; G322-Q359 PolarHBondContact N-O 3.27Å; G322-Q359 VanDerWaalsContact N-O 3.12Å; G322-Q373 VanDerWaalsContact CA-O 3.3Å; G322-Q373 WeakPolarHBondContact CA-O 3.33Å
323D88.6Confident89.8Confident97 Ų9731.6 Ų31.652%0.51918%0.175SC..SBendtrans-74.884.6-177.6-17626.4000111.3Q373D323-Q373 PolarHBondContact N-O 2.75Å
324V88.7Confident89.7Confident2 Ų233.8 Ų33.81%0.01219%0.193CC..  trans-130.6118.2-175-178.60000110.5V289 Y320 G322 V329 I356 R374V289-V324 HydrophobicContact CG1-CG1 4.43Å; V289-V324 HydrophobicContact CG2-CG1 4.21Å; Y320-V324 HydrophobicContact CD1-CG1 4.01Å; Y320-V324 HydrophobicContact CD1-CG2 4.37Å; Y320-V324 HydrophobicContact CG-CG1 4.05Å; G322-V324 VanDerWaalsContact C-N 3.34Å; G322-V324 PolarHBondContact O-N 2.95Å; V324-V329 HydrophobicContact CG1-CG2 3.26Å; V324-I356 HydrophobicContact CB-CG2 4.32Å; V324-R374 HydrophobicContact CG2-CB 3.98Å
325V90Very high89.8Confident69 Ų6938.4 Ų38.442%0.41822%0.218SC..  trans-87.9126.2177-176.20000109.5K327 D328 V329V325-K327 HydrophobicContact CG1-CB 4.08Å; V325-K327 PolarHBondContact O-N 3.01Å; V325-K327 VanDerWaalsContact O-N 3.1Å; V325-D328 PolarHBondContact O-N 3.49Å; V325-V329 PolarHBondContact O-N 2.79Å
326P89.1Confident89.8Confident57 Ų5738 Ų3837%0.3722%0.215SC..Hα-helixtrans-56.5-31.2-178.4-26.432.7000114.4V329 N330 I356P326-V329 PolarHBondContact O-N 3.34Å; P326-N330 PolarHBondContact O-N 3.33Å; P326-N330 VanDerWaalsContact O-N 3.08Å; P326-N330 PolarHBondContact O-ND2 3.25Å; P326-I356 HydrophobicContact CB-CD1 3.99Å; P326-I356 HydrophobicContact CG-CD1 3.84Å
327K90.9Very high89.6Confident164 Ų16442.8 Ų42.871%0.71324%0.235SC*.Hα-helixtrans-61.3-43.5175.9-174.5-175.5175.8-173.10112V325 V329 N330 A331V325-K327 HydrophobicContact CG1-CB 4.08Å; V325-K327 PolarHBondContact O-N 3.01Å; V325-K327 VanDerWaalsContact O-N 3.1Å; K327-V329 VanDerWaalsContact C-N 3.34Å; K327-N330 PolarHBondContact O-N 3.38Å; K327-A331 PolarHBondContact O-N 2.94Å; K327-A331 VanDerWaalsContact O-N 3.07Å
328D91.4Very high89.4Confident74 Ų7448 Ų4840%0.39627%0.267SS..Hα-helixtrans-71.8-34.6-177.8-62.6-18.4000110.8V289 V325 A331 A332V289-D328 HydrophobicContact CB-CB 4.22Å; V289-D328 HydrophobicContact CG1-CB 4.46Å; V289-D328 HydrophobicContact CG2-CB 4.3Å; V325-D328 PolarHBondContact O-N 3.49Å; D328-A331 PolarHBondContact O-N 2.88Å; D328-A332 WeakPolarHBondContact O-CB 3.48Å; D328-A332 PolarHBondContact O-N 2.96Å
329V90.7Very high89.1Confident0 Ų053.1 Ų53.10%029%0.287CS..Hα-helixtrans-61.9-48.1173176.20000111.1V289 Y320 V324 V325 P326 K327 A331 A332 I333 V354 I356V289-V329 HydrophobicContact CG1-CG2 3.85Å; Y320-V329 HydrophobicContact CD1-CG2 4.33Å; Y320-V329 HydrophobicContact CD2-CG1 4.06Å; Y320-V329 HydrophobicContact CD2-CG2 4.09Å; Y320-V329 HydrophobicContact CE1-CG2 4.2Å; Y320-V329 HydrophobicContact CE2-CB 4.3Å; Y320-V329 HydrophobicContact CE2-CG1 3.34Å; Y320-V329 HydrophobicContact CE2-CG2 3.96Å; Y320-V329 HydrophobicContact CG-CG2 4.27Å; V324-V329 HydrophobicContact CG1-CG2 3.26Å; V325-V329 PolarHBondContact O-N 2.79Å; P326-V329 PolarHBondContact O-N 3.34Å; K327-V329 VanDerWaalsContact C-N 3.34Å; V329-A331 VanDerWaalsContact C-N 3.31Å; V329-A331 PolarHBondContact O-N 3.35Å; V329-A332 PolarHBondContact O-N 3.01Å; V329-I333 HydrophobicContact CG1-CD1 3.68Å; V329-I333 HydrophobicContact CG1-CG1 4.38Å; V329-I333 WeakPolarHBondContact O-CG1 3.49Å; V329-I333 PolarHBondContact O-N 3.31Å; V329-V354 HydrophobicContact CG1-CG1 3.62Å; V329-V354 HydrophobicContact CG1-CG2 4.16Å; V329-I356 HydrophobicContact CG2-CD1 4.29Å
330N90.3Very high88.3Confident104 Ų10463.9 Ų63.956%0.55633%0.327SS*.Hα-helixtrans-62.7-38.7178.5-73.5-30000111.9P326 K327 A334P326-N330 PolarHBondContact O-N 3.33Å; P326-N330 VanDerWaalsContact O-N 3.08Å; P326-N330 PolarHBondContact O-ND2 3.25Å; K327-N330 PolarHBondContact O-N 3.38Å; N330-A334 WeakPolarHBondContact O-CB 3.24Å; N330-A334 PolarHBondContact O-N 2.75Å
331A92.4Very high87.7Confident50 Ų5067 Ų6741%0.41335%0.349SS..Hα-helixtrans-65.6-42.5174.200000112.2K327 D328 V329 A334 N335K327-A331 PolarHBondContact O-N 2.94Å; K327-A331 VanDerWaalsContact O-N 3.07Å; D328-A331 PolarHBondContact O-N 2.88Å; V329-A331 VanDerWaalsContact C-N 3.31Å; V329-A331 PolarHBondContact O-N 3.35Å; A331-A334 PolarHBondContact O-N 2.91Å; A331-N335 PolarHBondContact O-N 3.3Å; A331-N335 PolarHBondContact O-ND2 3.32Å
332A91.2Very high87.4Confident3 Ų367.8 Ų67.83%0.02535%0.353CS..Hα-helixtrans-62.8-44.2176.400000111.9A290 T293 D328 V329 N335 I336A290-A332 HydrophobicContact CB-CB 4.37Å; T293-A332 HydrophobicContact CG2-CB 4.24Å; D328-A332 WeakPolarHBondContact O-CB 3.48Å; D328-A332 PolarHBondContact O-N 2.96Å; V329-A332 PolarHBondContact O-N 3.01Å; A332-N335 PolarHBondContact O-N 3.2Å; A332-I336 WeakPolarHBondContact O-CG1 3.28Å; A332-I336 PolarHBondContact O-N 3.11Å
333I89.6Confident87.1Confident10 Ų1072.8 Ų72.85%0.05138%0.376CS..Hα-helixtrans-65.5-40.7177.2-67.4168.3000111V329 N335 I336 K337 F352 V354V329-I333 HydrophobicContact CG1-CD1 3.68Å; V329-I333 HydrophobicContact CG1-CG1 4.38Å; V329-I333 WeakPolarHBondContact O-CG1 3.49Å; V329-I333 PolarHBondContact O-N 3.31Å; I333-N335 VanDerWaalsContact C-N 3.29Å; I333-N335 PolarHBondContact O-N 2.96Å; I333-I336 PolarHBondContact O-N 3.33Å; I333-I336 VanDerWaalsContact O-N 3.14Å; I333-K337 HydrophobicContact CG2-CD 4.26Å; I333-K337 HydrophobicContact CG2-CG 4.43Å; I333-K337 WeakPolarHBondContact O-CG 3.49Å; I333-K337 PolarHBondContact O-N 2.84Å; I333-F352 HydrophobicContact CG2-CB 4.1Å; I333-F352 HydrophobicContact CG2-CD1 4.21Å; I333-F352 HydrophobicContact CG2-CD2 3.93Å; I333-F352 HydrophobicContact CG2-CE2 4.36Å; I333-F352 HydrophobicContact CG2-CG 3.83Å; I333-V354 HydrophobicContact CD1-CG2 3.32Å
334A88.7Confident86.9Confident50 Ų5070.3 Ų70.341%0.41336%0.361SS..Hα-helixtrans-59.5-41.5174.900000111.7N330 A331 I336 K337 T338N330-A334 WeakPolarHBondContact O-CB 3.24Å; N330-A334 PolarHBondContact O-N 2.75Å; A331-A334 PolarHBondContact O-N 2.91Å; A334-I336 VanDerWaalsContact C-N 3.3Å; A334-I336 PolarHBondContact O-N 2.99Å; A334-K337 PolarHBondContact O-N 3.19Å; A334-T338 WeakPolarHBondContact O-CG2 3.46Å; A334-T338 PolarHBondContact O-N 3.4Å
335N89.2Confident86.6Confident99 Ų9970.3 Ų70.353%0.52936%0.361SS..Hα-helixtrans-68.2-26.7175.8-72.2-19.8000113.7A331 A332 I333 T338A331-N335 PolarHBondContact O-N 3.3Å; A331-N335 PolarHBondContact O-ND2 3.32Å; A332-N335 PolarHBondContact O-N 3.2Å; I333-N335 VanDerWaalsContact C-N 3.29Å; I333-N335 PolarHBondContact O-N 2.96Å; N335-T338 PolarHBondContact O-OG1 2.66Å
336I87.3Confident86Confident1 Ų171.2 Ų71.21%0.00536%0.364CS..Hα-helixtrans-79.1-39.3177.5-75.1168.7000110.5T293 F297 A332 I333 A334 T338 R339 I342 F352T293-I336 HydrophobicContact CG2-CD1 3.16Å; F297-I336 HydrophobicContact CD2-CD1 3.91Å; F297-I336 HydrophobicContact CD2-CG1 4.48Å; F297-I336 HydrophobicContact CD2-CG2 3.91Å; F297-I336 HydrophobicContact CE1-CG2 4.36Å; F297-I336 HydrophobicContact CE2-CD1 3.76Å; F297-I336 HydrophobicContact CE2-CG2 3.59Å; F297-I336 HydrophobicContact CG-CG2 4.45Å; F297-I336 HydrophobicContact CZ-CG2 3.84Å; A332-I336 WeakPolarHBondContact O-CG1 3.28Å; A332-I336 PolarHBondContact O-N 3.11Å; I333-I336 PolarHBondContact O-N 3.33Å; I333-I336 VanDerWaalsContact O-N 3.14Å; A334-I336 VanDerWaalsContact C-N 3.3Å; A334-I336 PolarHBondContact O-N 2.99Å; I336-T338 PolarHBondContact O-N 3.24Å; I336-R339 WeakPolarHBondContact O-CB 3.49Å; I336-R339 PolarHBondContact O-N 3.43Å; I336-I342 HydrophobicContact CG2-CD1 3.33Å; I336-F352 HydrophobicContact CG2-CZ 4.04Å
337K83.4Confident85.5Confident101 Ų10173.7 Ų73.744%0.43937%0.366SS..Hα-helixtrans-61.4-25.7175.5-74178.5176-175.80113.6I333 A334 R339 F352I333-K337 HydrophobicContact CG2-CD 4.26Å; I333-K337 HydrophobicContact CG2-CG 4.43Å; I333-K337 WeakPolarHBondContact O-CG 3.49Å; I333-K337 PolarHBondContact O-N 2.84Å; A334-K337 PolarHBondContact O-N 3.19Å; K337-R339 VanDerWaalsContact C-N 3.29Å; K337-F352 HydrophobicContact CD-CD2 4.49Å; K337-F352 VanDerWaalsContact CE-CD2 3.43Å; K337-F352 HydrophobicContact CG-CD2 4.27Å; K337-F352 HydrophobicContact CG-CE2 3.92Å
338T84.8Confident84.6Confident111 Ų11167 Ų6768%0.68134%0.34SS*.THydrogen-bonded Turntrans-78.7-11.9176.258.10000113.2A334 N335 I336 R340A334-T338 WeakPolarHBondContact O-CG2 3.46Å; A334-T338 PolarHBondContact O-N 3.4Å; N335-T338 PolarHBondContact O-OG1 2.66Å; I336-T338 PolarHBondContact O-N 3.24Å; T338-R340 PolarHBondContact O-N 3.13Å
339R83.6Confident82.7Confident107 Ų10769 Ų6940%0.40436%0.357SS..  trans-78.7120179.3-64-176.2179.3-175.33.3110.6S294 I336 K337 S341 I342S294-R339 PolarHBondContact OG-NH2 2.77Å; S294-R339 VanDerWaalsContact OG-NH2 3.15Å; I336-R339 WeakPolarHBondContact O-CB 3.49Å; I336-R339 PolarHBondContact O-N 3.43Å; K337-R339 VanDerWaalsContact C-N 3.29Å; R339-S341 PolarHBondContact O-N 3.02Å; R339-S341 VanDerWaalsContact O-N 3.1Å; R339-I342 HydrophobicContact CB-CD1 4.49Å; R339-I342 PolarHBondContact O-N 3.48Å
340R75Confident81.4Confident237 Ų23774 Ų7489%0.89439%0.387SS*.THydrogen-bonded Turntrans-61.7-17.9177.6-65.3-173.3178.5-167.7-2.3114.8T338 I342T338-R340 PolarHBondContact O-N 3.13Å; R340-I342 PolarHBondContact O-N 2.9Å
341S78.2Confident80.3Confident68 Ų6869.6 Ų69.648%0.47637%0.366SS..THydrogen-bonded Turntrans-73.9-13.2179.759.10000113.6R339R339-S341 PolarHBondContact O-N 3.02Å; R339-S341 VanDerWaalsContact O-N 3.1Å
342I82.6Confident79.8Confident20 Ų2068.4 Ų68.410%0.10335%0.351CS..  trans-109.8105-178-62.2166.3000107.1F297 Y313 I336 R339 R340 F344F297-I342 HydrophobicContact CB-CD1 4.18Å; F297-I342 HydrophobicContact CD1-CD1 3.41Å; F297-I342 VanDerWaalsContact CD1-CD1 3.41Å; F297-I342 HydrophobicContact CD1-CG1 3.86Å; F297-I342 HydrophobicContact CD2-CD1 4.25Å; F297-I342 HydrophobicContact CE1-CD1 3.83Å; F297-I342 HydrophobicContact CE1-CG1 4.35Å; F297-I342 HydrophobicContact CE1-CG2 4.28Å; F297-I342 HydrophobicContact CG-CD1 3.65Å; F297-I342 HydrophobicContact CG-CG1 4.44Å; F297-I342 HydrophobicContact CZ-CD1 4.43Å; Y313-I342 HydrophobicContact CD2-CG2 3.81Å; Y313-I342 HydrophobicContact CE2-CG2 3.94Å; I336-I342 HydrophobicContact CG2-CD1 3.33Å; R339-I342 HydrophobicContact CB-CD1 4.49Å; R339-I342 PolarHBondContact O-N 3.48Å; R340-I342 PolarHBondContact O-N 2.9Å; I342-F344 HydrophobicContact CG2-CD2 4.09Å; I342-F344 HydrophobicContact CG2-CE2 3.49Å; I342-F344 VanDerWaalsContact CG2-CE2 3.49Å; I342-F344 HydrophobicContact CG2-CZ 4.2Å
343Q83.1Confident79.5Confident104 Ų10473.1 Ų73.149%0.48637%0.371SS..PPolyproline II helixtrans-103.3124.5179.3-64-176.9-5.400109.2K312 Y313K312-Q343 WeakPolarHBondContact CA-O 3.3Å; K312-Q343 HydrophobicContact CG-CB 4.4Å; Y313-Q343 PolarHBondContact N-O 3.07Å
344F84.8Confident79.4Confident46 Ų4674 Ų7420%0.20238%0.377CS..BIsolated β-bridgetrans-95.8156.9169.7-75.1-92000109.5Y313 C316 I342 F352Y313-F344 WeakPolarHBondContact O-CA 3.28Å; Y313-F344 WeakPolarHBondContact O-CD1 3.29Å; C316-F344 HydrophobicContact CB-CE1 4.32Å; C316-F344 HydrophobicContact CB-CZ 4.44Å; I342-F344 HydrophobicContact CG2-CD2 4.09Å; I342-F344 HydrophobicContact CG2-CE2 3.49Å; I342-F344 VanDerWaalsContact CG2-CE2 3.49Å; I342-F344 HydrophobicContact CG2-CZ 4.2Å; F344-F352 HydrophobicContact CE1-CE2 4.28Å; F344-F352 HydrophobicContact CE2-CD2 4.39Å; F344-F352 AromaticContact CE2-CE2 3.52Å; F344-F352 HydrophobicContact CE2-CE2 3.52Å; F344-F352 HydrophobicContact CE2-CZ 4.03Å; F344-F352 AromaticContact CZ-CD2 3.89Å; F344-F352 HydrophobicContact CZ-CD2 3.89Å; F344-F352 HydrophobicContact CZ-CE1 4.47Å; F344-F352 AromaticContact CZ-CE2 3.22Å; F344-F352 HydrophobicContact CZ-CE2 3.22Å; F344-F352 AromaticContact CZ-CZ 3.58Å; F344-F352 HydrophobicContact CZ-CZ 3.58Å
345V83.2Confident79.2Confident2 Ų271.8 Ų71.81%0.01236%0.36CS..PPolyproline II helixtrans-68.8142.8169.1-63.10000111.2K312 Y313 M314 W347 C348K312-V345 HydrophobicContact CB-CG1 3.88Å; K312-V345 HydrophobicContact CD-CG1 4.48Å; Y313-V345 PolarHBondContact O-N 3.35Å; M314-V345 HydrophobicContact CG-CG1 4.06Å; M314-V345 HydrophobicContact CG-CG2 4.42Å; V345-W347 VanDerWaalsContact C-N 3.27Å; V345-W347 HydrophobicContact CB-CD2 4.35Å; V345-W347 HydrophobicContact CB-CZ2 4.16Å; V345-W347 HydrophobicContact CG1-CZ2 4.38Å; V345-W347 HydrophobicContact CG2-CD2 3.68Å; V345-W347 HydrophobicContact CG2-CE3 4.04Å; V345-W347 HydrophobicContact CG2-CG 4.28Å; V345-W347 HydrophobicContact CG2-CH2 3.86Å; V345-W347 HydrophobicContact CG2-CZ2 3.51Å; V345-W347 HydrophobicContact CG2-CZ3 4.12Å; V345-W347 PolarHBondContact O-N 2.88Å; V345-C348 HydrophobicContact CG2-CB 3.53Å; V345-C348 PolarHBondContact O-N 2.77Å
346D76Confident79.2Confident87 Ų8767.7 Ų67.747%0.46534%0.338SS..THydrogen-bonded Turntrans-59.2-35.5-172.6-56.9-6.1000113.4C348 S440 S443D346-C348 PolarHBondContact O-N 2.88Å; D346-S440 VanDerWaalsContact CG-CB 3.48Å; D346-S440 VanDerWaalsContact CG-OG 3.31Å; D346-S440 WeakPolarHBondContact OD1-CB 2.95Å; D346-S440 PolarHBondContact OD1-OG 3.43Å; D346-S440 WeakPolarHBondContact OD2-CA 3.11Å; D346-S440 WeakPolarHBondContact OD2-CB 3.48Å; D346-S440 PolarHBondContact OD2-OG 3.01Å; D346-S443 PolarHBondContact OD2-OG 3.2Å
347W78.5Confident79.2Confident109 Ų10968.2 Ų68.241%0.41334%0.34SS..THydrogen-bonded Turntrans-76.9-4.2179.853.7-99.6000113.6P262 F263 M314 V345 P349P262-W347 HydrophobicContact CB-CH2 3.55Å; P262-W347 HydrophobicContact CB-CZ3 3.94Å; P262-W347 HydrophobicContact CG-CH2 3.85Å; F263-W347 HydrophobicContact CE2-CH2 4.27Å; F263-W347 HydrophobicContact CE2-CZ2 4Å; M314-W347 HydrophobicContact CB-CH2 4.07Å; M314-W347 HydrophobicContact CB-CZ2 4.48Å; M314-W347 HydrophobicContact CG-CH2 4.13Å; M314-W347 HydrophobicContact CG-CZ2 4.06Å; V345-W347 VanDerWaalsContact C-N 3.27Å; V345-W347 HydrophobicContact CB-CD2 4.35Å; V345-W347 HydrophobicContact CB-CZ2 4.16Å; V345-W347 HydrophobicContact CG1-CZ2 4.38Å; V345-W347 HydrophobicContact CG2-CD2 3.68Å; V345-W347 HydrophobicContact CG2-CE3 4.04Å; V345-W347 HydrophobicContact CG2-CG 4.28Å; V345-W347 HydrophobicContact CG2-CH2 3.86Å; V345-W347 HydrophobicContact CG2-CZ2 3.51Å; V345-W347 HydrophobicContact CG2-CZ3 4.12Å; V345-W347 PolarHBondContact O-N 2.88Å; W347-P349 VanDerWaalsContact C-CD 3.43Å; W347-P349 WeakPolarHBondContact O-CD 3.22Å
348C72.6Confident79.2Confident25 Ų2569.6 Ų69.617%0.16934%0.344CS..  trans-114.776175.2-167.20000111M314 V345 D346 T350 G351M314-C348 PolarHBondContact O-SG 3.12Å; V345-C348 HydrophobicContact CG2-CB 3.53Å; V345-C348 PolarHBondContact O-N 2.77Å; D346-C348 PolarHBondContact O-N 2.88Å; C348-T350 VanDerWaalsContact C-N 3.28Å; C348-T350 PolarHBondContact O-N 3.37Å; C348-T350 VanDerWaalsContact O-N 3.14Å; C348-G351 VanDerWaalsContact SG-CA 3.55Å
349P52.7Low79.2Confident116 Ų11668.2 Ų68.275%0.75333%0.33SS*.THydrogen-bonded Turntrans-65.2-23.2-166.720.8-31.6000114.8W347W347-P349 VanDerWaalsContact C-CD 3.43Å; W347-P349 WeakPolarHBondContact O-CD 3.22Å
350T62Low79.3Confident104 Ų10466.5 Ų66.564%0.63833%0.332SS*.THydrogen-bonded Turntrans-152.183.4169.8520000111.7C348 F352C348-T350 VanDerWaalsContact C-N 3.28Å; C348-T350 PolarHBondContact O-N 3.37Å; C348-T350 VanDerWaalsContact O-N 3.14Å; T350-F352 PolarHBondContact O-N 3.1Å
351G67.2Low79.8Confident11 Ų1155.4 Ų55.411%0.11329%0.291CS..  trans-84.226.7-171.400000117.7C316 C348C316-G351 CarbonylContact C-O 3.59Å; C316-G351 WeakPolarHBondContact CA-O 3.43Å; C316-G351 PolarHBondContact N-O 2.72Å; C348-G351 VanDerWaalsContact SG-CA 3.55Å
352F81.6Confident80.3Confident25 Ų2554.4 Ų54.411%0.1128%0.282CS..EExtended strand (participates in β ladder)trans-101.7118.6177.8-78.5-84.6000112.2F297 C316 M318 I333 I336 K337 F344 T350F297-F352 HydrophobicContact CE1-CZ 4.44Å; F297-F352 HydrophobicContact CE2-CE1 4.38Å; F297-F352 AromaticContact CZ-CE1 3.69Å; F297-F352 HydrophobicContact CZ-CE1 3.69Å; F297-F352 AromaticContact CZ-CZ 3.77Å; F297-F352 HydrophobicContact CZ-CZ 3.77Å; C316-F352 HydrophobicContact CB-CD1 3.92Å; C316-F352 HydrophobicContact CB-CE1 3.93Å; C316-F352 CarbonylContact O-C 3.54Å; C316-F352 VanDerWaalsContact O-CA 3.29Å; C316-F352 WeakPolarHBondContact O-CA 3.17Å; C316-F352 VanDerWaalsContact SG-CE1 3.51Å; M318-F352 HydrophobicContact CG-CD1 4.14Å; M318-F352 HydrophobicContact CG-CE1 4.46Å; I333-F352 HydrophobicContact CG2-CB 4.1Å; I333-F352 HydrophobicContact CG2-CD1 4.21Å; I333-F352 HydrophobicContact CG2-CD2 3.93Å; I333-F352 HydrophobicContact CG2-CE2 4.36Å; I333-F352 HydrophobicContact CG2-CG 3.83Å; I336-F352 HydrophobicContact CG2-CZ 4.04Å; K337-F352 HydrophobicContact CD-CD2 4.49Å; K337-F352 VanDerWaalsContact CE-CD2 3.43Å; K337-F352 HydrophobicContact CG-CD2 4.27Å; K337-F352 HydrophobicContact CG-CE2 3.92Å; F344-F352 HydrophobicContact CE1-CE2 4.28Å; F344-F352 HydrophobicContact CE2-CD2 4.39Å; F344-F352 AromaticContact CE2-CE2 3.52Å; F344-F352 HydrophobicContact CE2-CE2 3.52Å; F344-F352 HydrophobicContact CE2-CZ 4.03Å; F344-F352 AromaticContact CZ-CD2 3.89Å; F344-F352 HydrophobicContact CZ-CD2 3.89Å; F344-F352 HydrophobicContact CZ-CE1 4.47Å; F344-F352 AromaticContact CZ-CE2 3.22Å; F344-F352 HydrophobicContact CZ-CE2 3.22Å; F344-F352 AromaticContact CZ-CZ 3.58Å; F344-F352 HydrophobicContact CZ-CZ 3.58Å; T350-F352 PolarHBondContact O-N 3.1Å
353K85.4Confident80.3Confident102 Ų10254.7 Ų54.744%0.44329%0.288SS..EExtended strand (participates in β ladder)trans-104.6143.8168.2-60.6-65.8-177.5168.20109.3N259 C316 C317 M318N259-K353 HydrophobicContact CB-CG 4.26Å; N259-K353 VanDerWaalsContact OD1-CE 3.29Å; N259-K353 WeakPolarHBondContact OD1-CE 3.4Å; C316-K353 PolarHBondContact O-N 3.15Å; C317-K353 CarbonylContact C-O 3.55Å; C317-K353 WeakPolarHBondContact CA-O 3.39Å; C317-K353 HydrophobicContact CB-CB 4.25Å; M318-K353 PolarHBondContact N-O 3.29Å
354V86.5Confident80.3Confident28 Ų2850.4 Ų50.417%0.1727%0.268CS..EExtended strand (participates in β ladder)trans-130.3111-1731790000109.8L249 M318 Y320 V329 I333 I356L249-V354 WeakPolarHBondContact CB-O 3.47Å; L249-V354 WeakPolarHBondContact CD2-O 3.39Å; M318-V354 CarbonylContact O-C 3.54Å; M318-V354 WeakPolarHBondContact O-CA 3.21Å; Y320-V354 HydrophobicContact CD2-CG1 4.02Å; Y320-V354 HydrophobicContact CE2-CG1 4.09Å; V329-V354 HydrophobicContact CG1-CG1 3.62Å; V329-V354 HydrophobicContact CG1-CG2 4.16Å; I333-V354 HydrophobicContact CD1-CG2 3.32Å; V354-I356 HydrophobicContact CG1-CD1 4.15Å; V354-I356 HydrophobicContact CG1-CG1 3.9Å
355G86.3Confident80.1Confident5 Ų553 Ų535%0.05229%0.29CS..EExtended strand (participates in β ladder)trans-95.5136.916700000110.2M318 Y320M318-G355 PolarHBondContact O-N 3.36Å; Y320-G355 PolarHBondContact N-O 3.33Å
356I88.1Confident79.7Confident13 Ų1356.3 Ų56.37%0.06732%0.324CS..EExtended strand (participates in β ladder)trans-130.6120.2174.8-54.7175.6000109.1A248 Y320 V324 P326 V329 V354 Y358A248-I356 PolarHBondContact N-O 3.24Å; A248-I356 VanDerWaalsContact N-O 3.09Å; Y320-I356 HydrophobicContact CD2-CG1 4.49Å; V324-I356 HydrophobicContact CB-CG2 4.32Å; P326-I356 HydrophobicContact CB-CD1 3.99Å; P326-I356 HydrophobicContact CG-CD1 3.84Å; V329-I356 HydrophobicContact CG2-CD1 4.29Å; V354-I356 HydrophobicContact CG1-CD1 4.15Å; V354-I356 HydrophobicContact CG1-CG1 3.9Å; I356-Y358 HydrophobicContact CG2-CD1 4.41Å; I356-Y358 HydrophobicContact CG2-CE1 4.1Å
357N87.1Confident79.7Confident11 Ų1153.1 Ų53.16%0.05931%0.312CS..EExtended strand (participates in β ladder)trans-112.6127.7168.7-179.5-13000109F245 Y320 R321 G322 Q359F245-N357 VanDerWaalsContact CB-ND2 3.32Å; F245-N357 WeakPolarHBondContact CB-ND2 3.4Å; F245-N357 WeakPolarHBondContact CD2-ND2 3.13Å; Y320-N357 PolarHBondContact O-N 3.43Å; R321-N357 CarbonylContact C-O 3.59Å; R321-N357 VanDerWaalsContact CA-O 3.24Å; R321-N357 WeakPolarHBondContact CA-O 3.49Å; R321-N357 HydrophobicContact CG-CB 4.3Å; G322-N357 PolarHBondContact N-O 3.09Å; N357-Q359 VanDerWaalsContact C-N 3.28Å; N357-Q359 PolarHBondContact O-N 3.4Å; N357-Q359 WeakPolarHBondContact OD1-CB 3.41Å; N357-Q359 PolarHBondContact OD1-N 2.94Å
358Y84.4Confident79.6Confident131 Ų13150 Ų5051%0.51430%0.304SS..  trans-78.3-11.3-176.2-62-70000113.8A248 I356A248-Y358 HydrophobicContact CB-CE2 4.02Å; I356-Y358 HydrophobicContact CG2-CD1 4.41Å; I356-Y358 HydrophobicContact CG2-CE1 4.1Å
359Q84.1Confident80Confident81 Ų8149.9 Ų49.938%0.37930%0.301SS..SBendtrans-74.6128.9176.4-65.2-166.70.400111.1F245 G322 N357F245-Q359 VanDerWaalsContact CD1-CD 3.46Å; F245-Q359 VanDerWaalsContact CD1-NE2 3.33Å; G322-Q359 PolarHBondContact N-O 3.27Å; G322-Q359 VanDerWaalsContact N-O 3.12Å; N357-Q359 VanDerWaalsContact C-N 3.28Å; N357-Q359 PolarHBondContact O-N 3.4Å; N357-Q359 WeakPolarHBondContact OD1-CB 3.41Å; N357-Q359 PolarHBondContact OD1-N 2.94Å
360P86.1Confident81.3Confident71 Ų7144.8 Ų44.846%0.46127%0.269SS..PPolyproline II helixtrans-63.4151.8177.427.4-33.6000110.9R321 T362R321-P360 PolarHBondContact NH2-O 3.47Å; R321-P360 VanDerWaalsContact NH2-O 3.08Å; P360-T362 PolarHBondContact O-N 3.34Å
361P86.3Confident82.2Confident5 Ų544.5 Ų44.53%0.03227%0.271CS..PPolyproline II helixtrans-61131.5168.8-20.932.4000111.3R321 V372 A375R321-P361 HydrophobicContact CB-CG 3.99Å; P361-V372 HydrophobicContact CB-CG2 4.33Å; P361-V372 HydrophobicContact CG-CG2 4.1Å; P361-A375 HydrophobicContact CG-CB 3.55Å
362T86.8Confident83.1Confident46 Ų4645.1 Ų45.128%0.28227%0.272SS..PPolyproline II helixtrans-89.2128.9176.5-60.30000109.7L23 L26 E27 Q234 P360L23-T362 VanDerWaalsContact CD1-O 3.27Å; L23-T362 WeakPolarHBondContact CD1-O 3.47Å; L26-T362 HydrophobicContact CB-CG2 4.14Å; E27-T362 HydrophobicContact CG-CG2 4.48Å; Q234-T362 PolarHBondContact NE2-O 2.98Å; P360-T362 PolarHBondContact O-N 3.34Å
363A83.3Confident83.2Confident27 Ų2749 Ų4922%0.22329%0.291CS..PPolyproline II helixtrans-88140.2170.900000110.2
364V83.3Confident83.4Confident13 Ų1346.5 Ų46.58%0.07928%0.279CS..PPolyproline II helixtrans-70.4129.9174.7-179.50000108.8E22 L23 L26 G366 G367E22-V364 HydrophobicContact CG-CG1 4.26Å; L23-V364 HydrophobicContact CB-CG2 4.47Å; L23-V364 HydrophobicContact CD1-CG2 4.11Å; L26-V364 HydrophobicContact CD1-CB 4.28Å; L26-V364 HydrophobicContact CD1-CG1 4.07Å; L26-V364 HydrophobicContact CD1-CG2 4.12Å; V364-G366 PolarHBondContact O-N 3.1Å; V364-G367 WeakPolarHBondContact O-CA 3.33Å; V364-G367 PolarHBondContact O-N 3.38Å
365P80.4Confident83.6Confident100 Ų10045.2 Ų45.265%0.64927%0.271SS*.THydrogen-bonded Turntrans-57126.5174.8-25.434.3000111.7G367P365-G367 VanDerWaalsContact C-N 3.27Å
366G74.9Confident84Confident72 Ų7245 Ų4574%0.74227%0.269SS*.THydrogen-bonded Turntrans74.517-173.100000114.1R230 V364R230-G366 PolarHBondContact NH1-O 2.84Å; V364-G366 PolarHBondContact O-N 3.1Å
367G76.1Confident84.2Confident20 Ų2044.3 Ų44.321%0.20627%0.265CS..  trans-85.1160.9167.200000112.5V364 P365V364-G367 WeakPolarHBondContact O-CA 3.33Å; V364-G367 PolarHBondContact O-N 3.38Å; P365-G367 VanDerWaalsContact C-N 3.27Å
368D76.3Confident84.4Confident45 Ų4543.8 Ų43.824%0.24126%0.263CS..SBendtrans-82.8-18.8-177.5-45.6-67.8000112.5M218 I220 N227 S278 A279M218-D368 HydrophobicContact SD-CB 3.82Å; I220-D368 HydrophobicContact CD1-CB 4.01Å; N227-D368 PolarHBondContact ND2-OD2 2.97Å; S278-D368 WeakPolarHBondContact CA-O 3.49Å; A279-D368 PolarHBondContact N-O 3.39Å; A279-D368 VanDerWaalsContact N-O 3.1Å
369L80.3Confident84.8Confident22 Ų2237.6 Ų37.612%0.11524%0.238CC..BIsolated β-bridgetrans-78134.4177.5-77.894.5000111.8M218 L231 Q234M218-L369 HydrophobicContact CE-CD1 3.46Å; M218-L369 VanDerWaalsContact CE-CD1 3.46Å; M218-L369 HydrophobicContact CE-CD2 4.44Å; M218-L369 HydrophobicContact CE-CG 3.76Å; M218-L369 HydrophobicContact SD-CD1 4.31Å; L231-L369 HydrophobicContact CD1-CD2 4.28Å; Q234-L369 HydrophobicContact CG-CD2 4.18Å
370A81.3Confident85.1Confident9 Ų933.7 Ų33.77%0.07422%0.22CC..PPolyproline II helixtrans-62.9147.6167.800000112.7I277 A282 V372I277-A370 HydrophobicContact CB-CB 4.45Å; I277-A370 WeakPolarHBondContact O-CB 3.42Å; I277-A370 PolarHBondContact O-N 3.05Å; A282-A370 HydrophobicContact CB-CB 3.39Å; A370-V372 HydrophobicContact CB-CG1 4.38Å; A370-V372 PolarHBondContact O-N 3.18Å
371S80.9Confident85.3Confident97 Ų9730.3 Ų30.368%0.67820%0.198SC*.PPolyproline II helixtrans-70.6121.1162-177.90000108.9
372V84.8Confident85.5Confident24 Ų2430.1 Ų30.115%0.14520%0.197CC..  trans-115.2143.7-179.4-650000110.1P275 P361 A370 R374 A375P275-V372 HydrophobicContact CG-CB 4.5Å; P275-V372 HydrophobicContact CG-CG1 4.15Å; P361-V372 HydrophobicContact CB-CG2 4.33Å; P361-V372 HydrophobicContact CG-CG2 4.1Å; A370-V372 HydrophobicContact CB-CG1 4.38Å; A370-V372 PolarHBondContact O-N 3.18Å; V372-R374 VanDerWaalsContact C-N 3.27Å; V372-R374 PolarHBondContact O-N 3.02Å; V372-A375 HydrophobicContact CG2-CB 4.3Å
373Q85Confident85.7Confident107 Ų10728.6 Ų28.650%0.519%0.187SC..SBendtrans-72.6-24.2178-68.6-177.6-11.700112.8G322 D323G322-Q373 VanDerWaalsContact CA-O 3.3Å; G322-Q373 WeakPolarHBondContact CA-O 3.33Å; D323-Q373 PolarHBondContact N-O 2.75Å
374R89.5Confident86.1Confident49 Ų4927.7 Ų27.719%0.18518%0.18CC..EExtended strand (participates in β ladder)trans-147.8142.7-176.965.4-171.294.1-159.61.9110.9P275 L287 I292 R321 V324 V372P275-R374 WeakPolarHBondContact CD-O 3.46Å; L287-R374 VanDerWaalsContact O-CD 3.23Å; L287-R374 WeakPolarHBondContact O-CD 3.34Å; L287-R374 PolarHBondContact O-NE 2.79Å; L287-R374 VanDerWaalsContact O-NE 3.14Å; I292-R374 HydrophobicContact CD1-CB 4.44Å; I292-R374 HydrophobicContact CD1-CG 4.04Å; R321-R374 CarbonylContact O-C 3.51Å; R321-R374 WeakPolarHBondContact O-CA 3.16Å; V324-R374 HydrophobicContact CG2-CB 3.98Å; V372-R374 VanDerWaalsContact C-N 3.27Å; V372-R374 PolarHBondContact O-N 3.02Å
375A91.4Very high86.4Confident1 Ų127.1 Ų27.11%0.00818%0.176CC..EExtended strand (participates in β ladder)trans-144.7164.4171.100000110.5Y273 S274 Y320 R321 P361 V372Y273-A375 HydrophobicContact CE2-CB 4.11Å; Y273-A375 WeakPolarHBondContact OH-CB 3.43Å; S274-A375 CarbonylContact O-C 3.55Å; S274-A375 WeakPolarHBondContact O-CA 3.46Å; Y320-A375 WeakPolarHBondContact CA-O 3.22Å; R321-A375 PolarHBondContact N-O 3.29Å; R321-A375 PolarHBondContact O-N 2.79Å; P361-A375 HydrophobicContact CG-CB 3.55Å; V372-A375 HydrophobicContact CG2-CB 4.3Å
376V92.8Very high86.9Confident0 Ų023.3 Ų23.30%015%0.154CC..EExtended strand (participates in β ladder)trans-138.7131.3176.857.30000109.7S274 I292 C296 M318 L319 Y320S274-V376 PolarHBondContact N-O 3.24Å; S274-V376 WeakPolarHBondContact O-CG1 3.22Å; S274-V376 PolarHBondContact O-N 3.09Å; S274-V376 VanDerWaalsContact O-O 3.09Å; I292-V376 HydrophobicContact CB-CG1 3.88Å; I292-V376 HydrophobicContact CD1-CB 4.25Å; I292-V376 HydrophobicContact CD1-CG1 3.95Å; I292-V376 HydrophobicContact CG1-CG1 3.84Å; C296-V376 WeakPolarHBondContact SG-CG1 3.43Å; M318-V376 HydrophobicContact CB-CG2 4.46Å; M318-V376 HydrophobicContact CE-CG2 3.88Å; L319-V376 CarbonylContact O-C 3.58Å; L319-V376 WeakPolarHBondContact O-CA 3.39Å; Y320-V376 HydrophobicContact CD1-CB 3.71Å; Y320-V376 HydrophobicContact CD1-CG2 3.81Å; Y320-V376 HydrophobicContact CD2-CG2 4.41Å; Y320-V376 HydrophobicContact CE1-CB 3.77Å; Y320-V376 HydrophobicContact CE1-CG1 4.45Å; Y320-V376 HydrophobicContact CE1-CG2 3.64Å; Y320-V376 HydrophobicContact CE2-CG2 4.26Å; Y320-V376 HydrophobicContact CG-CB 4.41Å; Y320-V376 HydrophobicContact CG-CG2 4.2Å
377C92.8Very high87.5Confident0 Ų023.5 Ų23.50%014%0.135CC..EExtended strand (participates in β ladder)trans-108.1116.1168-174.80000107.9T272 Y273 L319T272-C377 CarbonylContact O-C 3.56Å; T272-C377 WeakPolarHBondContact O-CA 3.4Å; Y273-C377 HydrophobicContact CD2-CB 4.08Å; L319-C377 HydrophobicContact CB-CB 4.28Å; L319-C377 WeakPolarHBondContact CB-O 3.43Å; L319-C377 PolarHBondContact N-O 3.32Å; L319-C377 PolarHBondContact O-N 3.38Å
378M92.6Very high88.1Confident0 Ų022.5 Ų22.50%013%0.125CC..EExtended strand (participates in β ladder)trans-93.8128.9173.2179.417683.700109.5T272 C296 F297 C316 C317 M318T272-M378 PolarHBondContact N-O 3.25Å; T272-M378 PolarHBondContact O-N 2.86Å; C296-M378 HydrophobicContact CB-CB 3.93Å; C296-M378 HydrophobicContact CB-CE 4.22Å; C296-M378 HydrophobicContact CB-SD 3.87Å; C296-M378 WeakPolarHBondContact O-CE 3.36Å; F297-M378 HydrophobicContact CD1-CE 4.47Å; F297-M378 HydrophobicContact CD1-SD 4.35Å; F297-M378 HydrophobicContact CD2-SD 4.39Å; F297-M378 HydrophobicContact CE1-CE 4.35Å; F297-M378 HydrophobicContact CE1-SD 3.79Å; F297-M378 HydrophobicContact CE2-SD 3.81Å; F297-M378 HydrophobicContact CZ-SD 3.47Å; F297-M378 WeakPolarHBondContact CZ-SD 3.5Å; C316-M378 VanDerWaalsContact SG-SD 3.66Å; C317-M378 CarbonylContact O-C 3.02Å; C317-M378 WeakPolarHBondContact O-CA 3.46Å; M318-M378 HydrophobicContact CE-CB 4.33Å; M318-M378 HydrophobicContact CE-SD 4.42Å; M318-M378 HydrophobicContact SD-CB 3.51Å; M318-M378 VanDerWaalsContact SD-CB 3.51Å; M318-M378 HydrophobicContact SD-CG 3.36Å; M318-M378 WeakPolarHBondContact SD-CG 3.41Å; M318-M378 HydrophobicContact SD-SD 3.72Å
379L91.3Very high88.8Confident0 Ų020.4 Ų20.40%011%0.114CC..EExtended strand (participates in β ladder)trans-111.8113.1169-56.4175.4000107.4F203 I239 F256 L260 L270 V271 C316 C317 L319F203-L379 HydrophobicContact CD1-CD2 4.06Å; F203-L379 HydrophobicContact CE1-CD1 3.92Å; F203-L379 HydrophobicContact CE1-CD2 3.81Å; F203-L379 HydrophobicContact CE1-CG 4.39Å; F203-L379 HydrophobicContact CZ-CD1 4.31Å; I239-L379 HydrophobicContact CD1-CD2 3.86Å; I239-L379 HydrophobicContact CG1-CD1 4.29Å; I239-L379 HydrophobicContact CG1-CD2 4.01Å; F256-L379 HydrophobicContact CD1-CD1 3.97Å; F256-L379 HydrophobicContact CE1-CD1 3.48Å; F256-L379 VanDerWaalsContact CE1-CD1 3.48Å; F256-L379 HydrophobicContact CZ-CD1 4.48Å; L260-L379 HydrophobicContact CD1-CB 3.85Å; L260-L379 HydrophobicContact CD1-CD1 3.91Å; L260-L379 HydrophobicContact CD2-CB 4.06Å; L260-L379 WeakPolarHBondContact CD2-O 3.46Å; L270-L379 WeakPolarHBondContact O-CA 3.26Å; V271-L379 HydrophobicContact CB-CD2 4.17Å; V271-L379 HydrophobicContact CG1-CD2 3.85Å; V271-L379 HydrophobicContact CG2-CD2 3.68Å; C316-L379 CarbonylContact C-O 3.56Å; C316-L379 WeakPolarHBondContact CA-O 3.33Å; C317-L379 HydrophobicContact CB-CB 4.29Å; C317-L379 PolarHBondContact N-O 3.14Å; C317-L379 PolarHBondContact O-N 3.07Å; L319-L379 HydrophobicContact CD1-CD1 3.88Å; L319-L379 HydrophobicContact CD1-CG 4.42Å
380S90.6Very high89.3Confident0 Ų022.3 Ų22.30%013%0.129CC..EExtended strand (participates in β ladder)trans-127.8121.3-175.761.40000110.5L270 A315 T382L270-S380 WeakPolarHBondContact CB-O 3.49Å; L270-S380 PolarHBondContact N-O 3.26Å; L270-S380 PolarHBondContact O-N 3.45Å; A315-S380 CarbonylContact O-C 3.5Å; A315-S380 VanDerWaalsContact O-CA 3.28Å; A315-S380 WeakPolarHBondContact O-CA 3.43Å; S380-T382 PolarHBondContact O-N 2.95Å
381N90.8Very high89.6Confident0 Ų025.5 Ų25.50%014%0.139CC..EExtended strand (participates in β ladder)trans-84113.9170.3-163.1-11.9000108.4L260 V266 M314 A315L260-N381 VanDerWaalsContact O-CB 3.29Å; L260-N381 WeakPolarHBondContact O-CB 3.41Å; L260-N381 PolarHBondContact O-ND2 3.15Å; V266-N381 PolarHBondContact O-ND2 2.86Å; M314-N381 HydrophobicContact CB-CB 4.47Å; M314-N381 HydrophobicContact CE-CB 4.4Å; M314-N381 WeakPolarHBondContact CE-OD1 3.43Å; M314-N381 PolarHBondContact N-O 3.13Å; A315-N381 HydrophobicContact CB-CB 4.35Å; A315-N381 PolarHBondContact N-O 3.09Å; A315-N381 PolarHBondContact O-N 3.17Å
382T90.9Very high90Very high0 Ų021 Ų210%011%0.108CC..EExtended strand (participates in β ladder)trans-133.2142.2-175.5178.10000110.3L270 K312 S380 A384 I385L270-T382 HydrophobicContact CB-CG2 4.2Å; L270-T382 HydrophobicContact CD2-CG2 4.17Å; K312-T382 VanDerWaalsContact O-CA 3.29Å; K312-T382 WeakPolarHBondContact O-CA 3.39Å; K312-T382 PolarHBondContact O-OG1 2.79Å; S380-T382 PolarHBondContact O-N 2.95Å; T382-A384 HydrophobicContact CG2-CB 4.12Å; T382-A384 PolarHBondContact O-N 3.18Å; T382-A384 PolarHBondContact OG1-N 3.18Å; T382-I385 WeakPolarHBondContact O-CG2 3.49Å; T382-I385 PolarHBondContact O-N 2.85Å
383T91.6Very high90.3Very high14 Ų1420 Ų209%0.08610%0.101CC..G310 helixtrans-66.5-14.1175.761.40000113.2G311 K312 M314 I385 A386 Y433 L436G311-T383 WeakPolarHBondContact CA-OG1 3.18Å; K312-T383 PolarHBondContact N-OG1 3.27Å; K312-T383 PolarHBondContact O-N 2.89Å; M314-T383 HydrophobicContact CE-CG2 3.96Å; T383-I385 PolarHBondContact O-N 3.34Å; T383-I385 VanDerWaalsContact O-N 3.16Å; T383-A386 VanDerWaalsContact O-CB 3.27Å; T383-A386 WeakPolarHBondContact O-CB 3.18Å; T383-A386 PolarHBondContact O-N 3.17Å; T383-A386 VanDerWaalsContact O-N 3.14Å; T383-Y433 HydrophobicContact CG2-CD1 4.29Å; T383-L436 HydrophobicContact CG2-CB 4.21Å
384A90.3Very high90.6Very high8 Ų820.4 Ų20.47%0.06610%0.103CC..G310 helixtrans-63.2-19.5176.800000113.5C306 D307 T382 A386 E387C306-A384 HydrophobicContact CB-CB 4.32Å; C306-A384 WeakPolarHBondContact CB-O 3.45Å; D307-A384 WeakPolarHBondContact O-CB 3.37Å; T382-A384 HydrophobicContact CG2-CB 4.12Å; T382-A384 PolarHBondContact O-N 3.18Å; T382-A384 PolarHBondContact OG1-N 3.18Å; A384-A386 PolarHBondContact O-N 3.48Å; A384-E387 WeakPolarHBondContact O-CB 3.27Å; A384-E387 PolarHBondContact O-N 3.29Å; A384-E387 VanDerWaalsContact O-N 3.16Å
385I90.3Very high90.6Very high1 Ų121.4 Ų21.41%0.00511%0.108CC..G310 helixtrans-65.1-19.5176.3-156.6163.8000112.7M204 F268 T382 T383 E387 A388 W389 Y433M204-I385 HydrophobicContact CE-CD1 4.27Å; M204-I385 HydrophobicContact CE-CG1 4.35Å; M204-I385 HydrophobicContact SD-CD1 3.71Å; M204-I385 HydrophobicContact SD-CG1 4.23Å; F268-I385 HydrophobicContact CB-CD1 3.85Å; F268-I385 VanDerWaalsContact O-CD1 3.3Å; F268-I385 WeakPolarHBondContact O-CD1 3.41Å; T382-I385 WeakPolarHBondContact O-CG2 3.49Å; T382-I385 PolarHBondContact O-N 2.85Å; T383-I385 PolarHBondContact O-N 3.34Å; T383-I385 VanDerWaalsContact O-N 3.16Å; I385-E387 PolarHBondContact O-N 3.19Å; I385-E387 VanDerWaalsContact O-N 3.14Å; I385-A388 WeakPolarHBondContact O-CB 3.38Å; I385-A388 PolarHBondContact O-N 3.12Å; I385-W389 PolarHBondContact O-N 2.9Å; I385-Y433 HydrophobicContact CG2-CD1 4.44Å; I385-Y433 HydrophobicContact CG2-CE1 3.61Å; I385-Y433 HydrophobicContact CG2-CE2 4.27Å
386A89.9Confident90.6Very high21 Ų2121.3 Ų21.317%0.17411%0.108CC..Hα-helixtrans-54.8-29.1171.600000113T383 A384 A388 W389 S390 Y433T383-A386 VanDerWaalsContact O-CB 3.27Å; T383-A386 WeakPolarHBondContact O-CB 3.18Å; T383-A386 PolarHBondContact O-N 3.17Å; T383-A386 VanDerWaalsContact O-N 3.14Å; A384-A386 PolarHBondContact O-N 3.48Å; A386-A388 VanDerWaalsContact C-N 3.28Å; A386-A388 PolarHBondContact O-N 3.04Å; A386-W389 PolarHBondContact O-N 3.3Å; A386-S390 PolarHBondContact O-N 3.37Å; A386-Y433 HydrophobicContact CB-CD2 4.26Å; A386-Y433 HydrophobicContact CB-CG 4.03Å
387E88.9Confident90.6Very high75 Ų7524.2 Ų24.235%0.3512%0.124SC..Hα-helixtrans-63-36175.1-164.9-165.8143.600112A384 I385 W389 S390 R391A384-E387 WeakPolarHBondContact O-CB 3.27Å; A384-E387 PolarHBondContact O-N 3.29Å; A384-E387 VanDerWaalsContact O-N 3.16Å; I385-E387 PolarHBondContact O-N 3.19Å; I385-E387 VanDerWaalsContact O-N 3.14Å; E387-W389 VanDerWaalsContact C-N 3.35Å; E387-S390 PolarHBondContact O-N 3.2Å; E387-R391 WeakPolarHBondContact O-CG 3.44Å; E387-R391 PolarHBondContact O-N 3.27Å; E387-R391 VanDerWaalsContact O-N 3.12Å; E387-R391 IonicContact OE1-NH1 3.13Å; E387-R391 PolarHBondContact OE1-NH1 2.75Å
388A88.3Confident90.6Very high0 Ų029.2 Ų29.20%015%0.149CC..Hα-helixtrans-67.6-37.8177.200000111.5Y173 M204 V304 I385 A386 L392Y173-A388 HydrophobicContact CE2-CB 4.46Å; Y173-A388 PolarHBondContact OH-O 3.12Å; M204-A388 HydrophobicContact CE-CB 4.15Å; V304-A388 HydrophobicContact CG1-CB 4Å; I385-A388 WeakPolarHBondContact O-CB 3.38Å; I385-A388 PolarHBondContact O-N 3.12Å; A386-A388 VanDerWaalsContact C-N 3.28Å; A386-A388 PolarHBondContact O-N 3.04Å; A388-L392 PolarHBondContact O-N 3.07Å
389W90.3Very high90.6Very high1 Ų130.6 Ų30.60%0.00416%0.156CC..Hα-helixtrans-66.2-46.8174-62.7116.3000111.4F142 T192 M204 F268 I385 A386 E387 R391 L392 D393 L426 E430F142-W389 HydrophobicContact CE2-CH2 4.36Å; F142-W389 HydrophobicContact CZ-CH2 4.42Å; T192-W389 HydrophobicContact CG2-CH2 3.49Å; T192-W389 VanDerWaalsContact CG2-CH2 3.49Å; T192-W389 HydrophobicContact CG2-CZ2 4.29Å; T192-W389 HydrophobicContact CG2-CZ3 3.66Å; T192-W389 WeakPolarHBondContact OG1-CH2 3.46Å; T192-W389 WeakPolarHBondContact OG1-CZ3 3.4Å; M204-W389 HydrophobicContact CE-CZ2 4.43Å; M204-W389 HydrophobicContact SD-CH2 4.11Å; M204-W389 HydrophobicContact SD-CZ2 3.47Å; M204-W389 WeakPolarHBondContact SD-CZ2 3.47Å; F268-W389 AromaticContact CD1-CZ2 3.79Å; F268-W389 HydrophobicContact CD1-CZ2 3.79Å; F268-W389 HydrophobicContact CD2-CZ2 4.16Å; F268-W389 HydrophobicContact CE1-CH2 4.12Å; F268-W389 AromaticContact CE1-CZ2 3.71Å; F268-W389 HydrophobicContact CE1-CZ2 3.71Å; F268-W389 HydrophobicContact CE2-CZ2 4.07Å; F268-W389 HydrophobicContact CG-CZ2 4.01Å; F268-W389 HydrophobicContact CZ-CH2 4.28Å; F268-W389 AromaticContact CZ-CZ2 3.85Å; F268-W389 HydrophobicContact CZ-CZ2 3.85Å; I385-W389 PolarHBondContact O-N 2.9Å; A386-W389 PolarHBondContact O-N 3.3Å; E387-W389 VanDerWaalsContact C-N 3.35Å; W389-R391 VanDerWaalsContact C-N 3.32Å; W389-R391 PolarHBondContact O-N 2.89Å; W389-L392 WeakPolarHBondContact O-CA 3.43Å; W389-L392 VanDerWaalsContact O-CB 3.3Å; W389-L392 WeakPolarHBondContact O-CB 3.33Å; W389-L392 PolarHBondContact O-N 2.96Å; W389-D393 PolarHBondContact O-N 3.01Å; W389-L426 HydrophobicContact CE3-CD2 4.13Å; W389-L426 HydrophobicContact CZ3-CD2 4.43Å; W389-E430 HydrophobicContact CB-CG 4.32Å
390S90.1Very high90.6Very high61 Ų6133.1 Ų33.143%0.42717%0.166SC..Hα-helixtrans-59.9-37.7179.6-172.30000113.9A386 E387 L392 H394 E430A386-S390 PolarHBondContact O-N 3.37Å; E387-S390 PolarHBondContact O-N 3.2Å; S390-L392 VanDerWaalsContact C-N 3.27Å; S390-L392 PolarHBondContact O-N 3.25Å; S390-H394 WeakPolarHBondContact O-CB 3.45Å; S390-H394 PolarHBondContact O-N 2.91Å; S390-E430 WeakPolarHBondContact CA-OE1 3.14Å; S390-E430 PolarHBondContact N-OE1 2.95Å
391R88.6Confident90.8Very high76 Ų7637.3 Ų37.329%0.28720%0.201SC..Hα-helixtrans-65-32.8173.5-71.5-172.7-52.8-111.95.3112.7K305 E387 W389 K395K305-R391 VanDerWaalsContact O-CZ 3.28Å; K305-R391 PolarHBondContact O-NH1 3.44Å; K305-R391 PolarHBondContact O-NH2 3.16Å; E387-R391 WeakPolarHBondContact O-CG 3.44Å; E387-R391 PolarHBondContact O-N 3.27Å; E387-R391 VanDerWaalsContact O-N 3.12Å; E387-R391 IonicContact OE1-NH1 3.13Å; E387-R391 PolarHBondContact OE1-NH1 2.75Å; W389-R391 VanDerWaalsContact C-N 3.32Å; W389-R391 PolarHBondContact O-N 2.89Å; R391-K395 WeakPolarHBondContact O-CG 3.37Å
392L88.5Confident90.9Very high4 Ų445.9 Ų45.92%0.02124%0.238CC..Hα-helixtrans-76.9-46.6-179.1-162.5139000110.4Y173 P174 A188 I189 A388 W389 S390 H394 K395 F396Y173-L392 HydrophobicContact CD2-CD1 4.36Å; Y173-L392 HydrophobicContact CE2-CD1 3.52Å; P174-L392 HydrophobicContact CG-CD1 4.26Å; A188-L392 HydrophobicContact CB-CD1 3.55Å; A188-L392 HydrophobicContact CB-CD2 4.03Å; A188-L392 HydrophobicContact CB-CG 4.3Å; I189-L392 HydrophobicContact CB-CD2 4.4Å; I189-L392 HydrophobicContact CD1-CD2 3.84Å; I189-L392 HydrophobicContact CG1-CD2 3.15Å; A388-L392 PolarHBondContact O-N 3.07Å; W389-L392 WeakPolarHBondContact O-CA 3.43Å; W389-L392 VanDerWaalsContact O-CB 3.3Å; W389-L392 WeakPolarHBondContact O-CB 3.33Å; W389-L392 PolarHBondContact O-N 2.96Å; S390-L392 VanDerWaalsContact C-N 3.27Å; S390-L392 PolarHBondContact O-N 3.25Å; L392-H394 VanDerWaalsContact C-N 3.34Å; L392-H394 PolarHBondContact O-N 2.94Å; L392-K395 PolarHBondContact O-N 3.43Å; L392-K395 VanDerWaalsContact O-N 3.13Å; L392-F396 PolarHBondContact O-N 3.47Å
393D90.9Very high90.9Very high3 Ų352.9 Ų52.92%0.01626%0.264CS..Hα-helixtrans-57.3-44.6174.7-82.417.1000111.8I189 W389 K395 F396 D397 R423 L426I189-D393 VanDerWaalsContact CD1-OD1 3.31Å; I189-D393 WeakPolarHBondContact CD1-OD1 3.4Å; W389-D393 PolarHBondContact O-N 3.01Å; D393-K395 VanDerWaalsContact C-N 3.31Å; D393-K395 PolarHBondContact O-N 3.38Å; D393-F396 WeakPolarHBondContact O-CB 3.42Å; D393-F396 PolarHBondContact O-N 2.92Å; D393-D397 WeakPolarHBondContact O-CB 3.15Å; D393-D397 VanDerWaalsContact O-CG 3.23Å; D393-D397 PolarHBondContact O-N 3.19Å; D393-R423 IonicContact OD2-CZ 2.92Å; D393-R423 VanDerWaalsContact OD2-CZ 3.24Å; D393-R423 IonicContact OD2-NE 3.75Å; D393-R423 IonicContact OD2-NH1 2.77Å; D393-R423 PolarHBondContact OD2-NH1 3.11Å; D393-R423 IonicContact OD2-NH2 3.96Å; D393-L426 WeakPolarHBondContact OD1-CD2 3.37Å
394H91.4Very high90.9Very high115 Ų11553.7 Ų53.753%0.53227%0.273SS..Hα-helixtrans-59-41.4176.7-176.962.7000112.7S390 L392 L398S390-H394 WeakPolarHBondContact O-CB 3.45Å; S390-H394 PolarHBondContact O-N 2.91Å; L392-H394 VanDerWaalsContact C-N 3.34Å; L392-H394 PolarHBondContact O-N 2.94Å; H394-L398 WeakPolarHBondContact O-CG 3.38Å; H394-L398 PolarHBondContact O-N 3.07Å; H394-L398 VanDerWaalsContact O-N 3.17Å
395K89.8Confident91Very high69 Ų6957.2 Ų57.230%0.329%0.287SS..Hα-helixtrans-69.3-40.7177.5-70.7175.8-174.8173.40111.5P185 R391 L392 D393 D397 L398 M399P185-K395 HydrophobicContact CB-CB 4.1Å; P185-K395 HydrophobicContact CG-CB 3.94Å; P185-K395 HydrophobicContact CG-CD 4.17Å; R391-K395 WeakPolarHBondContact O-CG 3.37Å; L392-K395 PolarHBondContact O-N 3.43Å; L392-K395 VanDerWaalsContact O-N 3.13Å; D393-K395 VanDerWaalsContact C-N 3.31Å; D393-K395 PolarHBondContact O-N 3.38Å; K395-D397 VanDerWaalsContact C-N 3.35Å; K395-L398 PolarHBondContact O-N 3.28Å; K395-M399 WeakPolarHBondContact O-CG 3.45Å; K395-M399 PolarHBondContact O-N 3.18Å
396F91.7Very high91.1Very high0 Ų057.5 Ų57.50%029%0.288CS..Hα-helixtrans-57.3-50.4174.6178.9-80.8000110.7Y186 I189 L392 D393 L398 M399 Y400 F419 R423Y186-F396 AromaticContact CD1-CD2 3.34Å; Y186-F396 HydrophobicContact CD1-CD2 3.34Å; Y186-F396 AromaticContact CD1-CE2 3.41Å; Y186-F396 HydrophobicContact CD1-CE2 3.41Å; Y186-F396 VanDerWaalsContact CD1-CE2 3.41Å; Y186-F396 HydrophobicContact CD1-CG 4.21Å; Y186-F396 HydrophobicContact CD1-CZ 4.29Å; Y186-F396 AromaticContact CE1-CD2 3.72Å; Y186-F396 HydrophobicContact CE1-CD2 3.72Å; Y186-F396 AromaticContact CE1-CE2 3.77Å; Y186-F396 HydrophobicContact CE1-CE2 3.77Å; Y186-F396 HydrophobicContact CE1-CG 4.19Å; Y186-F396 HydrophobicContact CE1-CZ 4.26Å; I189-F396 HydrophobicContact CB-CD2 3.96Å; I189-F396 HydrophobicContact CB-CE2 4.11Å; I189-F396 HydrophobicContact CD1-CB 3.45Å; I189-F396 VanDerWaalsContact CD1-CB 3.45Å; I189-F396 HydrophobicContact CD1-CD1 4.11Å; I189-F396 HydrophobicContact CD1-CD2 3.37Å; I189-F396 HydrophobicContact CD1-CE2 4.07Å; I189-F396 HydrophobicContact CD1-CG 3.39Å; I189-F396 HydrophobicContact CG1-CB 4.31Å; I189-F396 HydrophobicContact CG1-CD2 3.76Å; I189-F396 HydrophobicContact CG1-CE2 4.38Å; I189-F396 HydrophobicContact CG1-CG 4.25Å; I189-F396 HydrophobicContact CG2-CD2 4.31Å; I189-F396 HydrophobicContact CG2-CE2 4.09Å; L392-F396 PolarHBondContact O-N 3.47Å; D393-F396 WeakPolarHBondContact O-CB 3.42Å; D393-F396 PolarHBondContact O-N 2.92Å; F396-L398 VanDerWaalsContact C-N 3.33Å; F396-L398 PolarHBondContact O-N 3.39Å; F396-M399 PolarHBondContact O-N 2.88Å; F396-M399 VanDerWaalsContact O-N 3.13Å; F396-Y400 HydrophobicContact CE1-CD1 4.04Å; F396-Y400 AromaticContact CE1-CG 3.87Å; F396-Y400 HydrophobicContact CE1-CG 3.87Å; F396-Y400 HydrophobicContact CZ-CD2 4.47Å; F396-Y400 HydrophobicContact CZ-CG 4.27Å; F396-Y400 VanDerWaalsContact O-CB 3.29Å; F396-Y400 WeakPolarHBondContact O-CB 3.41Å; F396-Y400 PolarHBondContact O-N 3.35Å; F396-F419 AromaticContact CE2-CD1 3.91Å; F396-F419 HydrophobicContact CE2-CD1 3.91Å; F396-F419 HydrophobicContact CZ-CB 4.15Å; F396-F419 AromaticContact CZ-CD1 3.94Å; F396-F419 HydrophobicContact CZ-CD1 3.94Å; F396-F419 WeakPolarHBondContact CZ-O 3.46Å; F396-R423 HydrophobicContact CD1-CB 4.42Å; F396-R423 HydrophobicContact CD1-CG 4.21Å; F396-R423 HydrophobicContact CE1-CB 3.77Å; F396-R423 HydrophobicContact CE1-CG 3.91Å; F396-R423 HydrophobicContact CZ-CB 4.12Å
397D93.5Very high91.2Very high61 Ų6162.3 Ų62.333%0.32631%0.307SS..Hα-helixtrans-60.2-42.1-177.5-70.7-22.2000111.6D393 K395 M399 Y400 A401 R423D393-D397 WeakPolarHBondContact O-CB 3.15Å; D393-D397 VanDerWaalsContact O-CG 3.23Å; D393-D397 PolarHBondContact O-N 3.19Å; K395-D397 VanDerWaalsContact C-N 3.35Å; D397-M399 VanDerWaalsContact C-N 3.33Å; D397-M399 PolarHBondContact O-N 3.47Å; D397-Y400 PolarHBondContact O-N 3.21Å; D397-A401 WeakPolarHBondContact O-CB 3.3Å; D397-A401 PolarHBondContact O-N 2.77Å; D397-R423 IonicContact OD1-CZ 3.99Å; D397-R423 IonicContact OD1-NE 3.68Å; D397-R423 PolarHBondContact OD1-NE 2.85Å; D397-R423 IonicContact OD1-NH2 3.74Å; D397-R423 IonicContact OD2-CZ 2.89Å; D397-R423 IonicContact OD2-NE 3.79Å; D397-R423 PolarHBondContact OD2-NE 2.97Å; D397-R423 IonicContact OD2-NH2 2.75Å; D397-R423 PolarHBondContact OD2-NH2 2.9Å
398L92.4Very high91.3Very high104 Ų10466 Ų6655%0.54532%0.317SS..Hα-helixtrans-61.1-39.4177-74.4174.6000113.1H394 K395 F396H394-L398 WeakPolarHBondContact O-CG 3.38Å; H394-L398 PolarHBondContact O-N 3.07Å; H394-L398 VanDerWaalsContact O-N 3.17Å; K395-L398 PolarHBondContact O-N 3.28Å; F396-L398 VanDerWaalsContact C-N 3.33Å; F396-L398 PolarHBondContact O-N 3.39Å
399M91.6Very high91.6Very high30 Ų3066 Ų6615%0.14832%0.318CS..Hα-helixtrans-77.7-44.5178.8-65-170.7-62.900111.3P185 Y186 K395 F396 D397 K402 R403 A404P185-M399 HydrophobicContact CB-CE 3.58Å; P185-M399 HydrophobicContact CG-CE 3.6Å; Y186-M399 HydrophobicContact CD1-CE 4.24Å; Y186-M399 HydrophobicContact CD2-CE 4.37Å; Y186-M399 HydrophobicContact CE1-CB 4.17Å; Y186-M399 HydrophobicContact CE1-CE 4.18Å; Y186-M399 HydrophobicContact CE2-CB 4.26Å; Y186-M399 HydrophobicContact CE2-CE 4.3Å; Y186-M399 HydrophobicContact CG-CE 4.34Å; Y186-M399 VanDerWaalsContact OH-CB 3.22Å; Y186-M399 WeakPolarHBondContact OH-CB 3.28Å; Y186-M399 PolarHBondContact OH-O 3.11Å; K395-M399 WeakPolarHBondContact O-CG 3.45Å; K395-M399 PolarHBondContact O-N 3.18Å; F396-M399 PolarHBondContact O-N 2.88Å; F396-M399 VanDerWaalsContact O-N 3.13Å; D397-M399 VanDerWaalsContact C-N 3.33Å; D397-M399 PolarHBondContact O-N 3.47Å; M399-K402 PolarHBondContact O-N 3.45Å; M399-K402 VanDerWaalsContact O-N 3.17Å; M399-R403 PolarHBondContact O-N 2.83Å; M399-A404 PolarHBondContact O-N 2.7Å; M399-A404 VanDerWaalsContact O-N 3.14Å
400Y92.9Very high91.7Very high53 Ų5369 Ų6921%0.20834%0.336CS..Hα-helixtrans-69.8-33.6-175.4-168.9-115.9000112.3Y186 F396 D397 K402 R403 V406 F419Y186-Y400 WeakPolarHBondContact OH-CA 3.45Å; Y186-Y400 PolarHBondContact OH-N 3.29Å; F396-Y400 HydrophobicContact CE1-CD1 4.04Å; F396-Y400 AromaticContact CE1-CG 3.87Å; F396-Y400 HydrophobicContact CE1-CG 3.87Å; F396-Y400 HydrophobicContact CZ-CD2 4.47Å; F396-Y400 HydrophobicContact CZ-CG 4.27Å; F396-Y400 VanDerWaalsContact O-CB 3.29Å; F396-Y400 WeakPolarHBondContact O-CB 3.41Å; F396-Y400 PolarHBondContact O-N 3.35Å; D397-Y400 PolarHBondContact O-N 3.21Å; Y400-K402 PolarHBondContact O-N 3.22Å; Y400-K402 VanDerWaalsContact O-N 3.09Å; Y400-R403 PolarHBondContact O-N 3.21Å; Y400-V406 HydrophobicContact CD2-CG2 4.05Å; Y400-V406 HydrophobicContact CE2-CG2 4.22Å; Y400-F419 HydrophobicContact CD2-CB 4.27Å; Y400-F419 HydrophobicContact CD2-CG 4.49Å; Y400-F419 HydrophobicContact CE2-CB 3.62Å; Y400-F419 HydrophobicContact CE2-CG 4.04Å
401A93.1Very high91.8Very high87 Ų8769.3 Ų69.372%0.71935%0.349SS*.THydrogen-bonded Turntrans-56.4-28.2172.600000113.2D397D397-A401 WeakPolarHBondContact O-CB 3.3Å; D397-A401 PolarHBondContact O-N 2.77Å
402K93.4Very high92Very high180 Ų18067.6 Ų67.678%0.78334%0.344SS*.THydrogen-bonded Turntrans-99.41175.5-64.6-174.9-178.9176.80113.5M399 Y400 A404M399-K402 PolarHBondContact O-N 3.45Å; M399-K402 VanDerWaalsContact O-N 3.17Å; Y400-K402 PolarHBondContact O-N 3.22Å; Y400-K402 VanDerWaalsContact O-N 3.09Å; K402-A404 PolarHBondContact O-N 2.95Å; K402-A404 VanDerWaalsContact O-N 3.15Å
403R90.9Very high92Very high148 Ų14870.1 Ų70.156%0.55837%0.371SS*.THydrogen-bonded Turntrans48.635.6-169.8-59.5-175.9172.9-139.2-9.5112.4M399 Y400 V406 E416M399-R403 PolarHBondContact O-N 2.83Å; Y400-R403 PolarHBondContact O-N 3.21Å; R403-V406 HydrophobicContact CB-CG2 4.22Å; R403-E416 IonicContact CZ-OE1 2.71Å; R403-E416 IonicContact CZ-OE2 3.46Å; R403-E416 IonicContact NE-OE1 3.76Å; R403-E416 IonicContact NH1-OE1 3.68Å; R403-E416 PolarHBondContact NH1-OE1 2.97Å; R403-E416 IonicContact NH1-OE2 3.26Å; R403-E416 PolarHBondContact NH1-OE2 2.83Å; R403-E416 IonicContact NH2-OE1 2.72Å; R403-E416 IonicContact NH2-OE2 2.99Å
404A91.6Very high92.1Very high31 Ų3170.1 Ų70.126%0.25637%0.371SS..  trans-66.4136.2179.400000109.2Y186 M399 K402 V406Y186-A404 VanDerWaalsContact CE2-O 3.25Å; Y186-A404 WeakPolarHBondContact CE2-O 3.36Å; Y186-A404 PolarHBondContact OH-O 2.91Å; M399-A404 PolarHBondContact O-N 2.7Å; M399-A404 VanDerWaalsContact O-N 3.14Å; K402-A404 PolarHBondContact O-N 2.95Å; K402-A404 VanDerWaalsContact O-N 3.15Å; A404-V406 PolarHBondContact O-N 3.49Å
405F92Very high92.2Very high82 Ų8271.5 Ų71.536%0.3638%0.378SS..SBendtrans60.5-5.4177.7-51.3-78.2000117.9V182 V183 Y186 H407 W408 Y409V182-F405 HydrophobicContact CG1-CE2 3.93Å; V182-F405 HydrophobicContact CG1-CZ 4.32Å; V183-F405 HydrophobicContact CG1-CB 3.69Å; V183-F405 HydrophobicContact CG1-CD1 4.19Å; V183-F405 HydrophobicContact CG1-CD2 3.98Å; V183-F405 HydrophobicContact CG1-CG 3.69Å; Y186-F405 HydrophobicContact CE2-CB 4.37Å; F405-H407 PolarHBondContact O-N 3.27Å; F405-H407 VanDerWaalsContact O-N 3.17Å; F405-W408 WeakPolarHBondContact O-CB 3.25Å; F405-W408 PolarHBondContact O-N 2.78Å; F405-W408 VanDerWaalsContact O-N 3.07Å; F405-Y409 WeakPolarHBondContact O-CD2 2.74Å
406V92.7Very high92.2Very high6 Ų671.3 Ų71.34%0.03638%0.378CS..Hα-helixtrans-55.3-36.8-179.6176.60000112.9Y400 R403 A404 W408 Y409 V410 E416 F419Y400-V406 HydrophobicContact CD2-CG2 4.05Å; Y400-V406 HydrophobicContact CE2-CG2 4.22Å; R403-V406 HydrophobicContact CB-CG2 4.22Å; A404-V406 PolarHBondContact O-N 3.49Å; V406-W408 PolarHBondContact O-N 3.48Å; V406-W408 VanDerWaalsContact O-N 3.16Å; V406-Y409 PolarHBondContact O-N 3.48Å; V406-V410 HydrophobicContact CG1-CG2 3.99Å; V406-V410 PolarHBondContact O-N 2.98Å; V406-V410 VanDerWaalsContact O-N 3.11Å; V406-E416 HydrophobicContact CG1-CG 4.12Å; V406-F419 HydrophobicContact CG1-CD2 4.46Å; V406-F419 HydrophobicContact CG1-CE2 4.17Å
407H91.9Very high92.2Very high123 Ų12373.4 Ų73.457%0.56940%0.4SS*.Hα-helixtrans-60.1-26.3179.765.1-84.1000114.1F405 Y409 G411F405-H407 PolarHBondContact O-N 3.27Å; F405-H407 VanDerWaalsContact O-N 3.17Å; H407-Y409 VanDerWaalsContact C-N 3.32Å; H407-G411 PolarHBondContact O-N 3.45Å
408W92.3Very high92.2Very high151 Ų15172.4 Ų72.457%0.57239%0.393SS*.Hα-helixtrans-68.5-32.9175.2-70.1105.3000112.2N103 F405 V406 E412N103-W408 PolarHBondContact ND2-O 3.16Å; F405-W408 WeakPolarHBondContact O-CB 3.25Å; F405-W408 PolarHBondContact O-N 2.78Å; F405-W408 VanDerWaalsContact O-N 3.07Å; V406-W408 PolarHBondContact O-N 3.48Å; V406-W408 VanDerWaalsContact O-N 3.16Å; W408-E412 WeakPolarHBondContact O-CG 3.36Å
409Y93.8Very high92.2Very high2 Ų267.4 Ų67.41%0.00837%0.367CS..Hα-helixtrans-79.8-46.7179.3-64.9-103.7000110.5N103 A105 V183 Y186 N187 L190 F405 V406 H407 G411 E412 M414 F419N103-Y409 WeakPolarHBondContact OD1-CD1 3.45Å; N103-Y409 WeakPolarHBondContact OD1-CE1 3.45Å; A105-Y409 HydrophobicContact CB-CD1 4.19Å; V183-Y409 WeakPolarHBondContact CB-OH 3.4Å; Y186-Y409 WeakPolarHBondContact CB-OH 3.44Å; Y186-Y409 AromaticContact CD2-CE2 3.95Å; Y186-Y409 HydrophobicContact CD2-CE2 3.95Å; N187-Y409 WeakPolarHBondContact OD1-CE1 3.47Å; N187-Y409 PolarHBondContact OD1-OH 3.43Å; L190-Y409 HydrophobicContact CD1-CD1 4.14Å; L190-Y409 HydrophobicContact CD1-CE1 4.09Å; F405-Y409 WeakPolarHBondContact O-CD2 2.74Å; V406-Y409 PolarHBondContact O-N 3.48Å; H407-Y409 VanDerWaalsContact C-N 3.32Å; Y409-G411 VanDerWaalsContact C-N 3.27Å; Y409-G411 PolarHBondContact O-N 3.3Å; Y409-E412 PolarHBondContact O-N 3.45Å; Y409-M414 HydrophobicContact CD1-SD 4.06Å; Y409-M414 HydrophobicContact CG-SD 4.48Å; Y409-M414 WeakPolarHBondContact O-CB 3.34Å; Y409-M414 PolarHBondContact O-N 3.18Å; Y409-F419 AromaticContact CD1-CZ 3.79Å; Y409-F419 HydrophobicContact CD1-CZ 3.79Å; Y409-F419 AromaticContact CD2-CZ 3.83Å; Y409-F419 HydrophobicContact CD2-CZ 3.83Å; Y409-F419 HydrophobicContact CE1-CZ 4.39Å; Y409-F419 HydrophobicContact CE2-CZ 4.45Å; Y409-F419 HydrophobicContact CG-CE1 4.49Å; Y409-F419 HydrophobicContact CG-CE2 4.21Å; Y409-F419 AromaticContact CG-CZ 3.5Å; Y409-F419 HydrophobicContact CG-CZ 3.5Å; Y409-F419 VanDerWaalsContact CG-CZ 3.5Å
410V93.3Very high92.3Very high64 Ų6467.7 Ų67.739%0.38837%0.374SS..Hα-helixtrans-63.2-35.2177.8179.60000111.9V406 E412 G413 M414 E416V406-V410 HydrophobicContact CG1-CG2 3.99Å; V406-V410 PolarHBondContact O-N 2.98Å; V406-V410 VanDerWaalsContact O-N 3.11Å; V410-E412 PolarHBondContact O-N 3.1Å; V410-G413 PolarHBondContact O-N 2.94Å; V410-M414 WeakPolarHBondContact CA-O 3.48Å; V410-E416 HydrophobicContact CG2-CB 4.15Å
411G91.8Very high92.3Very high67 Ų6770.7 Ų70.769%0.69139%0.39SS*.THydrogen-bonded Turntrans-63.9-17.9175.500000114.4H407 Y409H407-G411 PolarHBondContact O-N 3.45Å; Y409-G411 VanDerWaalsContact C-N 3.27Å; Y409-G411 PolarHBondContact O-N 3.3Å
412E91.8Very high92.4Very high39 Ų3966.5 Ų66.518%0.18236%0.356CS..THydrogen-bonded Turntrans-104.316.1-179-64.7-78177.200111.7A105 R106 T110 W408 Y409 V410A105-E412 HydrophobicContact CB-CB 3.76Å; R106-E412 WeakPolarHBondContact CD-OE1 3.39Å; R106-E412 HydrophobicContact CG-CB 4.28Å; R106-E412 HydrophobicContact CG-CG 3.6Å; R106-E412 WeakPolarHBondContact CG-OE1 3.3Å; R106-E412 WeakPolarHBondContact CG-OE2 3.33Å; R106-E412 IonicContact CZ-OE1 3.33Å; R106-E412 IonicContact NE-OE1 2.96Å; R106-E412 IonicContact NH1-OE1 3.51Å; R106-E412 PolarHBondContact NH1-OE1 3.25Å; R106-E412 IonicContact NH1-OE2 3.19Å; T110-E412 HydrophobicContact CG2-CB 4.36Å; T110-E412 VanDerWaalsContact CG2-O 3.31Å; T110-E412 WeakPolarHBondContact CG2-O 3.26Å; T110-E412 VanDerWaalsContact CG2-OE2 3.3Å; T110-E412 WeakPolarHBondContact CG2-OE2 3.39Å; T110-E412 PolarHBondContact OG1-OE2 3.36Å; W408-E412 WeakPolarHBondContact O-CG 3.36Å; Y409-E412 PolarHBondContact O-N 3.45Å; V410-E412 PolarHBondContact O-N 3.1Å
413G88.5Confident92.4Very high58 Ų5860.2 Ų60.260%0.59833%0.327SS*.THydrogen-bonded Turntrans89.510.1171.200000115.6V410V410-G413 PolarHBondContact O-N 2.94Å
414M93.9Very high92.5Very high3 Ų359.6 Ų59.62%0.01533%0.33CS..  trans-83.4139.1171.4-176.2-179.116800110.9Y104 A105 Y109 L190 Y409 V410 E418 F419Y104-M414 HydrophobicContact CD1-SD 4.32Å; A105-M414 HydrophobicContact CB-CB 3.85Å; A105-M414 HydrophobicContact CB-SD 4.24Å; Y109-M414 HydrophobicContact CD2-CB 3.98Å; Y109-M414 HydrophobicContact CD2-CG 4.47Å; Y109-M414 HydrophobicContact CE2-CB 3.83Å; Y109-M414 HydrophobicContact CE2-CG 3.85Å; L190-M414 HydrophobicContact CD1-CE 3.59Å; L190-M414 HydrophobicContact CD1-SD 3.97Å; L190-M414 HydrophobicContact CD2-CE 3.36Å; L190-M414 HydrophobicContact CG-CE 4.11Å; Y409-M414 HydrophobicContact CD1-SD 4.06Å; Y409-M414 HydrophobicContact CG-SD 4.48Å; Y409-M414 WeakPolarHBondContact O-CB 3.34Å; Y409-M414 PolarHBondContact O-N 3.18Å; V410-M414 WeakPolarHBondContact CA-O 3.48Å; M414-E418 HydrophobicContact CE-CB 3.46Å; M414-E418 VanDerWaalsContact CE-CB 3.46Å; M414-E418 HydrophobicContact CE-CG 4.44Å; M414-E418 HydrophobicContact CG-CB 4.43Å; M414-E418 WeakPolarHBondContact CG-OE2 3.08Å; M414-F419 HydrophobicContact CE-CD2 3.81Å; M414-F419 HydrophobicContact CE-CE1 4.44Å; M414-F419 HydrophobicContact CE-CE2 3.66Å; M414-F419 HydrophobicContact CE-CG 4.28Å; M414-F419 HydrophobicContact CE-CZ 4Å; M414-F419 HydrophobicContact SD-CE2 3.99Å; M414-F419 HydrophobicContact SD-CZ 4.2Å
415E92.9Very high92.6Very high144 Ų14459.4 Ų59.467%0.67333%0.325SS*.  trans-77.9142.7175.2-66.2-167.7177.900111.4G417 E418E415-G417 PolarHBondContact O-N 3.24Å; E415-E418 PolarHBondContact N-OE1 3.3Å; E415-E418 VanDerWaalsContact N-OE1 3.15Å; E415-E418 PolarHBondContact O-N 3.34Å
416E90.7Very high92.5Very high64 Ų6455.6 Ų55.630%0.29931%0.308SS..THydrogen-bonded Turntrans-62.2-27.5178.2-171.2175-158.900111.9R403 V406 V410 E418 F419R403-E416 IonicContact CZ-OE1 2.71Å; R403-E416 IonicContact CZ-OE2 3.46Å; R403-E416 IonicContact NE-OE1 3.76Å; R403-E416 IonicContact NH1-OE1 3.68Å; R403-E416 PolarHBondContact NH1-OE1 2.97Å; R403-E416 IonicContact NH1-OE2 3.26Å; R403-E416 PolarHBondContact NH1-OE2 2.83Å; R403-E416 IonicContact NH2-OE1 2.72Å; R403-E416 IonicContact NH2-OE2 2.99Å; V406-E416 HydrophobicContact CG1-CG 4.12Å; V410-E416 HydrophobicContact CG2-CB 4.15Å; E416-E418 VanDerWaalsContact C-N 3.28Å; E416-E418 PolarHBondContact O-N 3.41Å; E416-F419 PolarHBondContact O-N 2.99Å
417G91.1Very high92.4Very high45 Ų4556.6 Ų56.646%0.46432%0.317SS..Hα-helixtrans-61.8-30.9178.400000114.2E415 F419 A420 E421E415-G417 PolarHBondContact O-N 3.24Å; G417-F419 PolarHBondContact O-N 3.49Å; G417-A420 PolarHBondContact O-N 3.27Å; G417-E421 PolarHBondContact O-N 2.81Å; G417-E421 VanDerWaalsContact O-N 3.08Å
418E93.1Very high92.4Very high39 Ų3953.5 Ų53.518%0.18231%0.308CS..Hα-helixtrans-61.6-30-179.5-72174.4-131.300112.3Y109 M414 E415 E416 A420 A422Y109-E418 PolarHBondContact OH-OE1 3.33Å; Y109-E418 PolarHBondContact OH-OE2 2.82Å; M414-E418 HydrophobicContact CE-CB 3.46Å; M414-E418 VanDerWaalsContact CE-CB 3.46Å; M414-E418 HydrophobicContact CE-CG 4.44Å; M414-E418 HydrophobicContact CG-CB 4.43Å; M414-E418 WeakPolarHBondContact CG-OE2 3.08Å; E415-E418 PolarHBondContact N-OE1 3.3Å; E415-E418 VanDerWaalsContact N-OE1 3.15Å; E415-E418 PolarHBondContact O-N 3.34Å; E416-E418 VanDerWaalsContact C-N 3.28Å; E416-E418 PolarHBondContact O-N 3.41Å; E418-A420 VanDerWaalsContact C-N 3.34Å; E418-A420 PolarHBondContact O-N 3.2Å; E418-A422 VanDerWaalsContact O-CB 3.27Å; E418-A422 WeakPolarHBondContact O-CB 3.33Å; E418-A422 PolarHBondContact O-N 2.95Å
419F93.3Very high92.4Very high0 Ų046.4 Ų46.40%028%0.282CS..Hα-helixtrans-63.8-40.6174.3-77.1-80.9000112.4Y186 L190 F396 Y400 V406 Y409 M414 E416 G417 R423Y186-F419 HydrophobicContact CD1-CD1 4.25Å; Y186-F419 AromaticContact CD1-CE1 3.97Å; Y186-F419 HydrophobicContact CD1-CE1 3.97Å; Y186-F419 HydrophobicContact CD2-CE1 4.46Å; Y186-F419 HydrophobicContact CE1-CE1 4.46Å; Y186-F419 AromaticContact CG-CE1 3.98Å; Y186-F419 HydrophobicContact CG-CE1 3.98Å; L190-F419 HydrophobicContact CD1-CD1 4.41Å; L190-F419 HydrophobicContact CD1-CE1 3.84Å; L190-F419 HydrophobicContact CD1-CZ 4.18Å; L190-F419 HydrophobicContact CD2-CD1 4.34Å; L190-F419 HydrophobicContact CG-CE1 4.48Å; F396-F419 AromaticContact CE2-CD1 3.91Å; F396-F419 HydrophobicContact CE2-CD1 3.91Å; F396-F419 HydrophobicContact CZ-CB 4.15Å; F396-F419 AromaticContact CZ-CD1 3.94Å; F396-F419 HydrophobicContact CZ-CD1 3.94Å; F396-F419 WeakPolarHBondContact CZ-O 3.46Å; Y400-F419 HydrophobicContact CD2-CB 4.27Å; Y400-F419 HydrophobicContact CD2-CG 4.49Å; Y400-F419 HydrophobicContact CE2-CB 3.62Å; Y400-F419 HydrophobicContact CE2-CG 4.04Å; V406-F419 HydrophobicContact CG1-CD2 4.46Å; V406-F419 HydrophobicContact CG1-CE2 4.17Å; Y409-F419 AromaticContact CD1-CZ 3.79Å; Y409-F419 HydrophobicContact CD1-CZ 3.79Å; Y409-F419 AromaticContact CD2-CZ 3.83Å; Y409-F419 HydrophobicContact CD2-CZ 3.83Å; Y409-F419 HydrophobicContact CE1-CZ 4.39Å; Y409-F419 HydrophobicContact CE2-CZ 4.45Å; Y409-F419 HydrophobicContact CG-CE1 4.49Å; Y409-F419 HydrophobicContact CG-CE2 4.21Å; Y409-F419 AromaticContact CG-CZ 3.5Å; Y409-F419 HydrophobicContact CG-CZ 3.5Å; Y409-F419 VanDerWaalsContact CG-CZ 3.5Å; M414-F419 HydrophobicContact CE-CD2 3.81Å; M414-F419 HydrophobicContact CE-CE1 4.44Å; M414-F419 HydrophobicContact CE-CE2 3.66Å; M414-F419 HydrophobicContact CE-CG 4.28Å; M414-F419 HydrophobicContact CE-CZ 4Å; M414-F419 HydrophobicContact SD-CE2 3.99Å; M414-F419 HydrophobicContact SD-CZ 4.2Å; E416-F419 PolarHBondContact O-N 2.99Å; G417-F419 PolarHBondContact O-N 3.49Å; F419-R423 VanDerWaalsContact O-CB 3.26Å; F419-R423 WeakPolarHBondContact O-CB 3.46Å; F419-R423 PolarHBondContact O-N 3.44Å
420A92.6Very high92.2Very high35 Ų3548 Ų4829%0.28929%0.289SS..Hα-helixtrans-71.9-43179.600000110.6G417 E418 R423 E424G417-A420 PolarHBondContact O-N 3.27Å; E418-A420 VanDerWaalsContact C-N 3.34Å; E418-A420 PolarHBondContact O-N 3.2Å; A420-R423 PolarHBondContact O-N 2.96Å; A420-E424 WeakPolarHBondContact O-CB 3.46Å; A420-E424 WeakPolarHBondContact O-CG 3.44Å; A420-E424 PolarHBondContact O-N 3.26Å
421E94.1Very high92.1Very high116 Ų11650.7 Ų50.754%0.54230%0.296SS..Hα-helixtrans-60.3-50177.3-176.4173.2-170.100111.8G417 R423 E424 D425G417-E421 PolarHBondContact O-N 2.81Å; G417-E421 VanDerWaalsContact O-N 3.08Å; E421-R423 VanDerWaalsContact C-N 3.26Å; E421-R423 PolarHBondContact O-N 3.07Å; E421-E424 PolarHBondContact O-N 2.86Å; E421-E424 VanDerWaalsContact O-N 3.16Å; E421-D425 PolarHBondContact O-N 3.18Å
422A94Very high92.1Very high0 Ų049.7 Ų49.70%028%0.275CS..Hα-helixtrans-61.7-36.6178.700000112.2I189 L190 H193 E418 L426I189-A422 HydrophobicContact CG2-CB 3.72Å; L190-A422 HydrophobicContact CD2-CB 3.88Å; H193-A422 HydrophobicContact CB-CB 3.58Å; E418-A422 VanDerWaalsContact O-CB 3.27Å; E418-A422 WeakPolarHBondContact O-CB 3.33Å; E418-A422 PolarHBondContact O-N 2.95Å; A422-L426 WeakPolarHBondContact O-CD1 3.25Å; A422-L426 PolarHBondContact O-N 3.18Å; A422-L426 VanDerWaalsContact O-N 3.12Å
423R93.8Very high92Very high48 Ų4848 Ų4818%0.18127%0.267CS..Hα-helixtrans-69-38.6176.417660.9-173.8103.9-9.8112.6D393 F396 D397 F419 A420 E421 A427D393-R423 IonicContact OD2-CZ 2.92Å; D393-R423 VanDerWaalsContact OD2-CZ 3.24Å; D393-R423 IonicContact OD2-NE 3.75Å; D393-R423 IonicContact OD2-NH1 2.77Å; D393-R423 PolarHBondContact OD2-NH1 3.11Å; D393-R423 IonicContact OD2-NH2 3.96Å; F396-R423 HydrophobicContact CD1-CB 4.42Å; F396-R423 HydrophobicContact CD1-CG 4.21Å; F396-R423 HydrophobicContact CE1-CB 3.77Å; F396-R423 HydrophobicContact CE1-CG 3.91Å; F396-R423 HydrophobicContact CZ-CB 4.12Å; D397-R423 IonicContact OD1-CZ 3.99Å; D397-R423 IonicContact OD1-NE 3.68Å; D397-R423 PolarHBondContact OD1-NE 2.85Å; D397-R423 IonicContact OD1-NH2 3.74Å; D397-R423 IonicContact OD2-CZ 2.89Å; D397-R423 IonicContact OD2-NE 3.79Å; D397-R423 PolarHBondContact OD2-NE 2.97Å; D397-R423 IonicContact OD2-NH2 2.75Å; D397-R423 PolarHBondContact OD2-NH2 2.9Å; F419-R423 VanDerWaalsContact O-CB 3.26Å; F419-R423 WeakPolarHBondContact O-CB 3.46Å; F419-R423 PolarHBondContact O-N 3.44Å; A420-R423 PolarHBondContact O-N 2.96Å; E421-R423 VanDerWaalsContact C-N 3.26Å; E421-R423 PolarHBondContact O-N 3.07Å; R423-A427 PolarHBondContact O-N 3.04Å
424E93.4Very high91.9Very high135 Ų13550.1 Ų50.163%0.63126%0.261SS*.Hα-helixtrans-67.5-40.2176.3-76.3179.3-17000111.4A420 E421 A427 C428A420-E424 WeakPolarHBondContact O-CB 3.46Å; A420-E424 WeakPolarHBondContact O-CG 3.44Å; A420-E424 PolarHBondContact O-N 3.26Å; E421-E424 PolarHBondContact O-N 2.86Å; E421-E424 VanDerWaalsContact O-N 3.16Å; E424-A427 WeakPolarHBondContact O-CB 3.26Å; E424-A427 PolarHBondContact O-N 3.07Å; E424-C428 PolarHBondContact O-N 3.48Å; E424-C428 PolarHBondContact O-SG 3.07Å; E424-C428 VanDerWaalsContact O-SG 3.38Å
425D93.2Very high91.7Very high27 Ų2755.7 Ų55.714%0.14429%0.287CS..Hα-helixtrans-66.3-39.8177.1-172.939.1000112.3H193 R265 E421 C428 L429H193-D425 IonicContact CE1-OD2 3.62Å; H193-D425 IonicContact CG-OD2 2.71Å; H193-D425 WeakPolarHBondContact ND1-CB 3.39Å; H193-D425 IonicContact ND1-OD2 2.88Å; H193-D425 PolarHBondContact ND1-OD2 2.91Å; R265-D425 IonicContact CZ-OD1 3.91Å; R265-D425 IonicContact NH1-OD1 3.35Å; R265-D425 PolarHBondContact NH1-OD1 2.8Å; R265-D425 PolarHBondContact NH2-O 3.4Å; R265-D425 IonicContact NH2-OD1 2.89Å; R265-D425 PolarHBondContact NH2-OD1 2.95Å; E421-D425 PolarHBondContact O-N 3.18Å; D425-C428 WeakPolarHBondContact O-CB 3.47Å; D425-C428 PolarHBondContact O-N 2.78Å; D425-L429 PolarHBondContact O-N 2.88Å
426L90.3Very high91.3Very high2 Ų249.5 Ų49.51%0.0126%0.258CS..Hα-helixtrans-65.5-38171.9-96.670.3000112.2I189 T192 H193 W389 D393 A422 C428 L429 E430I189-L426 HydrophobicContact CB-CD2 4.17Å; I189-L426 HydrophobicContact CD1-CD2 3.93Å; I189-L426 HydrophobicContact CG1-CD2 3.73Å; I189-L426 HydrophobicContact CG2-CD1 4.33Å; I189-L426 HydrophobicContact CG2-CD2 4.09Å; T192-L426 HydrophobicContact CG2-CD1 4.05Å; H193-L426 HydrophobicContact CB-CD1 4.37Å; W389-L426 HydrophobicContact CE3-CD2 4.13Å; W389-L426 HydrophobicContact CZ3-CD2 4.43Å; D393-L426 WeakPolarHBondContact OD1-CD2 3.37Å; A422-L426 WeakPolarHBondContact O-CD1 3.25Å; A422-L426 PolarHBondContact O-N 3.18Å; A422-L426 VanDerWaalsContact O-N 3.12Å; L426-C428 VanDerWaalsContact C-N 3.27Å; L426-C428 PolarHBondContact O-N 2.73Å; L426-L429 WeakPolarHBondContact O-CB 3.49Å; L426-L429 PolarHBondContact O-N 2.71Å; L426-L429 VanDerWaalsContact O-N 3.12Å; L426-E430 PolarHBondContact O-N 2.96Å
427A91.1Very high90.7Very high27 Ų2747.3 Ų47.322%0.22325%0.253CS..Hα-helixtrans-61.8-36.1172.600000112.2R423 E424 K431R423-A427 PolarHBondContact O-N 3.04Å; E424-A427 WeakPolarHBondContact O-CB 3.26Å; E424-A427 PolarHBondContact O-N 3.07Å; A427-K431 WeakPolarHBondContact O-CG 3.35Å; A427-K431 PolarHBondContact O-N 2.84Å
428C92.1Very high90Very high57 Ų5752.2 Ų52.239%0.38526%0.258SS..Hα-helixtrans-66.6-42.1172.6-710000111.2E424 D425 L426 E430 K431 D432E424-C428 PolarHBondContact O-N 3.48Å; E424-C428 PolarHBondContact O-SG 3.07Å; E424-C428 VanDerWaalsContact O-SG 3.38Å; D425-C428 WeakPolarHBondContact O-CB 3.47Å; D425-C428 PolarHBondContact O-N 2.78Å; L426-C428 VanDerWaalsContact C-N 3.27Å; L426-C428 PolarHBondContact O-N 2.73Å; C428-E430 VanDerWaalsContact C-N 3.34Å; C428-E430 PolarHBondContact O-N 3.35Å; C428-K431 WeakPolarHBondContact O-CB 3.37Å; C428-K431 PolarHBondContact O-N 3.01Å; C428-D432 VanDerWaalsContact O-CG 3.27Å; C428-D432 PolarHBondContact O-N 2.94Å
429L91.2Very high88.4Confident2 Ų256.5 Ų56.51%0.0128%0.279CS..Hα-helixtrans-60.5-41.5175.4-176.565.3000112.2L196 R265 F268 D425 L426 K431 D432 Y433L196-L429 HydrophobicContact CD1-CD2 4.33Å; R265-L429 HydrophobicContact CB-CD1 4.25Å; R265-L429 WeakPolarHBondContact O-CD1 3.38Å; F268-L429 HydrophobicContact CE2-CD2 4.07Å; D425-L429 PolarHBondContact O-N 2.88Å; L426-L429 WeakPolarHBondContact O-CB 3.49Å; L426-L429 PolarHBondContact O-N 2.71Å; L426-L429 VanDerWaalsContact O-N 3.12Å; L429-K431 VanDerWaalsContact C-N 3.33Å; L429-K431 PolarHBondContact O-N 3.5Å; L429-D432 WeakPolarHBondContact O-CB 3.42Å; L429-D432 PolarHBondContact O-N 3.16Å; L429-Y433 HydrophobicContact CD1-CD2 4.37Å; L429-Y433 HydrophobicContact CD1-CE2 3.92Å; L429-Y433 HydrophobicContact CD2-CE2 4.41Å; L429-Y433 HydrophobicContact CG-CD2 4.18Å; L429-Y433 HydrophobicContact CG-CE2 3.89Å; L429-Y433 WeakPolarHBondContact O-CD2 3.38Å; L429-Y433 PolarHBondContact O-N 2.95Å; L429-Y433 VanDerWaalsContact O-N 3.12Å
430E90.2Very high86.5Confident35 Ų3557.1 Ų57.116%0.16428%0.284CS..Hα-helixtrans-60.5-43.3174.4-70.8-171.6159.300111.9W389 S390 L426 C428 Y433 E434W389-E430 HydrophobicContact CB-CG 4.32Å; S390-E430 WeakPolarHBondContact CA-OE1 3.14Å; S390-E430 PolarHBondContact N-OE1 2.95Å; L426-E430 PolarHBondContact O-N 2.96Å; C428-E430 VanDerWaalsContact C-N 3.34Å; C428-E430 PolarHBondContact O-N 3.35Å; E430-Y433 PolarHBondContact O-N 3.35Å; E430-E434 PolarHBondContact O-N 3.08Å
431K91Very high84.3Confident122 Ų12257.9 Ų57.953%0.5329%0.287SS..Hα-helixtrans-63-40.9175.2-71.5174-175172.40112.1A427 C428 L429 Y433 E434 E435A427-K431 WeakPolarHBondContact O-CG 3.35Å; A427-K431 PolarHBondContact O-N 2.84Å; C428-K431 WeakPolarHBondContact O-CB 3.37Å; C428-K431 PolarHBondContact O-N 3.01Å; L429-K431 VanDerWaalsContact C-N 3.33Å; L429-K431 PolarHBondContact O-N 3.5Å; K431-Y433 VanDerWaalsContact C-N 3.26Å; K431-Y433 PolarHBondContact O-N 3.22Å; K431-E434 PolarHBondContact O-N 3.38Å; K431-E434 VanDerWaalsContact O-N 3.11Å; K431-E435 WeakPolarHBondContact O-CB 3.46Å; K431-E435 WeakPolarHBondContact O-CG 3.11Å; K431-E435 PolarHBondContact O-N 3.15Å
432D91Very high81.9Confident46 Ų4657.4 Ų57.425%0.24629%0.288CS..Hα-helixtrans-56-44.3175.2-65.3-25.5000110.2R265 C428 L429 L436R265-D432 IonicContact CZ-OD2 3.04Å; R265-D432 IonicContact NE-OD2 3.93Å; R265-D432 PolarHBondContact NE-OD2 2.91Å; R265-D432 IonicContact NH2-OD2 3.7Å; C428-D432 VanDerWaalsContact O-CG 3.27Å; C428-D432 PolarHBondContact O-N 2.94Å; L429-D432 WeakPolarHBondContact O-CB 3.42Å; L429-D432 PolarHBondContact O-N 3.16Å; D432-L436 WeakPolarHBondContact O-CB 3.38Å; D432-L436 WeakPolarHBondContact O-CG 3.39Å; D432-L436 PolarHBondContact O-N 2.96Å; D432-L436 VanDerWaalsContact O-N 3.09Å
433Y90.2Very high79.3Confident3 Ų360.4 Ų60.41%0.01231%0.309CS..Hα-helixtrans-66.5-38.9175.5-80-71.2000113.6V266 M314 T383 I385 A386 L429 E430 K431 G437V266-Y433 HydrophobicContact CG1-CD1 4.09Å; V266-Y433 HydrophobicContact CG1-CE1 3.39Å; M314-Y433 HydrophobicContact CE-CE1 4.27Å; T383-Y433 HydrophobicContact CG2-CD1 4.29Å; I385-Y433 HydrophobicContact CG2-CD1 4.44Å; I385-Y433 HydrophobicContact CG2-CE1 3.61Å; I385-Y433 HydrophobicContact CG2-CE2 4.27Å; A386-Y433 HydrophobicContact CB-CD2 4.26Å; A386-Y433 HydrophobicContact CB-CG 4.03Å; L429-Y433 HydrophobicContact CD1-CD2 4.37Å; L429-Y433 HydrophobicContact CD1-CE2 3.92Å; L429-Y433 HydrophobicContact CD2-CE2 4.41Å; L429-Y433 HydrophobicContact CG-CD2 4.18Å; L429-Y433 HydrophobicContact CG-CE2 3.89Å; L429-Y433 WeakPolarHBondContact O-CD2 3.38Å; L429-Y433 PolarHBondContact O-N 2.95Å; L429-Y433 VanDerWaalsContact O-N 3.12Å; E430-Y433 PolarHBondContact O-N 3.35Å; K431-Y433 VanDerWaalsContact C-N 3.26Å; K431-Y433 PolarHBondContact O-N 3.22Å; Y433-G437 PolarHBondContact O-N 3.48Å; Y433-G437 VanDerWaalsContact O-N 3.08Å
434E87.9Confident76.7Confident103 Ų10365.8 Ų65.848%0.48134%0.336SS..Hα-helixtrans-64.8-45.5176.5-74.8-168.7-173.400112E430 K431 G437 R438E430-E434 PolarHBondContact O-N 3.08Å; K431-E434 PolarHBondContact O-N 3.38Å; K431-E434 VanDerWaalsContact O-N 3.11Å; E434-G437 WeakPolarHBondContact O-CA 3.31Å; E434-G437 PolarHBondContact O-N 3.2Å; E434-G437 VanDerWaalsContact O-N 3.12Å; E434-R438 WeakPolarHBondContact O-CG 3.4Å; E434-R438 PolarHBondContact O-N 3.34Å; E434-R438 IonicContact OE2-CZ 3.92Å; E434-R438 IonicContact OE2-NH2 3.78Å; E434-R438 PolarHBondContact OE2-NH2 3.23Å
435E87.8Confident74.1Confident120 Ų12065.9 Ų65.956%0.56134%0.341SS*.Hα-helixtrans-61.6-44.5178.4-73-177.1-174.500110.8K431 G437 R438 M439K431-E435 WeakPolarHBondContact O-CB 3.46Å; K431-E435 WeakPolarHBondContact O-CG 3.11Å; K431-E435 PolarHBondContact O-N 3.15Å; E435-G437 PolarHBondContact O-N 3.19Å; E435-R438 PolarHBondContact O-N 3.04Å; E435-M439 WeakPolarHBondContact O-CG 3.33Å; E435-M439 PolarHBondContact O-N 3.45Å
436L84.5Confident71.5Confident13 Ų1372.8 Ų72.87%0.06837%0.373CS..Hα-helixtrans-62.5-30.7174.7-70.1173.3000113F263 V266 M314 T383 D432F263-L436 HydrophobicContact CD2-CD1 4.01Å; F263-L436 HydrophobicContact CD2-CD2 3.9Å; F263-L436 HydrophobicContact CE2-CD1 4.34Å; F263-L436 HydrophobicContact CE2-CD2 3.4Å; F263-L436 HydrophobicContact CZ-CD2 4.08Å; V266-L436 HydrophobicContact CG1-CD1 4.27Å; V266-L436 HydrophobicContact CG2-CD1 3.81Å; M314-L436 HydrophobicContact SD-CD1 4.02Å; T383-L436 HydrophobicContact CG2-CB 4.21Å; D432-L436 WeakPolarHBondContact O-CB 3.38Å; D432-L436 WeakPolarHBondContact O-CG 3.39Å; D432-L436 PolarHBondContact O-N 2.96Å; D432-L436 VanDerWaalsContact O-N 3.09Å
437G78.6Confident68.9Low19 Ų1981.4 Ų81.420%0.19641%0.413CS..Hα-helixtrans-69.1-37.517200000113.3K312 Y433 E434 E435K312-G437 WeakPolarHBondContact CE-O 3.37Å; K312-G437 PolarHBondContact NZ-O 3.19Å; Y433-G437 PolarHBondContact O-N 3.48Å; Y433-G437 VanDerWaalsContact O-N 3.08Å; E434-G437 WeakPolarHBondContact O-CA 3.31Å; E434-G437 PolarHBondContact O-N 3.2Å; E434-G437 VanDerWaalsContact O-N 3.12Å; E435-G437 PolarHBondContact O-N 3.19Å
438R76.9Confident66.5Low148 Ų14886.7 Ų86.756%0.55844%0.442SS*.Hα-helixtrans-84-30.4-176.3-70.3-177.9-167.6168.614114.7E434 E435 S440 S441E434-R438 WeakPolarHBondContact O-CG 3.4Å; E434-R438 PolarHBondContact O-N 3.34Å; E434-R438 IonicContact OE2-CZ 3.92Å; E434-R438 IonicContact OE2-NH2 3.78Å; E434-R438 PolarHBondContact OE2-NH2 3.23Å; E435-R438 PolarHBondContact O-N 3.04Å; R438-S440 PolarHBondContact O-N 3.02Å; R438-S441 PolarHBondContact O-N 2.71Å; R438-S441 PolarHBondContact O-OG 3.1Å
439M59.9Low64Low128 Ų12886.5 Ų86.563%0.63145%0.449SS*.THydrogen-bonded Turntrans-57-5.8179.5-78.8-176.183.700115.2E435E435-M439 WeakPolarHBondContact O-CG 3.33Å; E435-M439 PolarHBondContact O-N 3.45Å
440S51.9Low61.5Low13 Ų1395.6 Ų95.69%0.09149%0.491CS..THydrogen-bonded Turntrans-116.40.9177.7150.80000113.2K312 D346 R438 S443K312-S440 PolarHBondContact NZ-OG 3.02Å; D346-S440 VanDerWaalsContact CG-CB 3.48Å; D346-S440 VanDerWaalsContact CG-OG 3.31Å; D346-S440 WeakPolarHBondContact OD1-CB 2.95Å; D346-S440 PolarHBondContact OD1-OG 3.43Å; D346-S440 WeakPolarHBondContact OD2-CA 3.11Å; D346-S440 WeakPolarHBondContact OD2-CB 3.48Å; D346-S440 PolarHBondContact OD2-OG 3.01Å; R438-S440 PolarHBondContact O-N 3.02Å; S440-S443 PolarHBondContact O-OG 3.35Å
441S46.5Very low59Low51 Ų51102.6 Ų102.636%0.35752%0.524SS..THydrogen-bonded Turntrans-90.4-32.3168.253.50000112.7R438 S443 E444R438-S441 PolarHBondContact O-N 2.71Å; R438-S441 PolarHBondContact O-OG 3.1Å; S441-S443 PolarHBondContact O-N 3.06Å; S441-E444 PolarHBondContact O-N 3.3Å
442D43.4Very low56.4Low106 Ų106110.8 Ų110.857%0.56756%0.56SS**Hα-helixtrans-76.8-10.3-172.6-65.2-2.1000113.1
443S40.7Very low54.7Low63 Ų63114 Ų11444%0.44158%0.576SS.*Hα-helixtrans-78.2-19.5175.445.70000113.8D346 S440 S441D346-S443 PolarHBondContact OD2-OG 3.2Å; S440-S443 PolarHBondContact O-OG 3.35Å; S441-S443 PolarHBondContact O-N 3.06Å
444E39Very low52.8Low162 Ų162119.8 Ų119.876%0.75761%0.606SS**Hα-helixtrans-97.1-21.4179-69.8-168161.700113.6S441S441-E444 PolarHBondContact O-N 3.3Å
445D38.8Very low50.9Low136 Ų136120.8 Ų120.873%0.72761%0.612SS**Hα-helixtrans-95-12.6-174.2-80.7-23.8000114.7
446E38.1Very low48.7Very low173 Ų173120.8 Ų120.881%0.80862%0.615SS**SBendtrans-89.8-11.6179.8-73.1-163.5160.800115.3
447E37.1Very low46.5Very low182 Ų182127.6 Ų127.685%0.8565%0.65SS**THydrogen-bonded Turntrans-89.4-5.7-178.8-81.5-164.916400115.5
448V39.1Very low44.3Very low139 Ų139134.8 Ų134.884%0.84268%0.68SS**THydrogen-bonded Turntrans-94.38.8-177.9-1660000113
449G40.4Very low42Very low52 Ų52133.9 Ų133.954%0.53669%0.689SS.*SBendtrans-110.213-164.400000118.5
450H39Very low40.6Very low193 Ų193134.3 Ų134.389%0.89469%0.693SS**  trans-160.671.6175.4-101.8-58.4000115.1
451E36.8Very low39.7Very low182 Ų182144.4 Ų144.485%0.8574%0.743SS**  trans-151.698.7149.8-93-167171.300109.8
452F37.3Very low39.1Very low294 Ų294152.9 Ų152.9100%1.28978%0.778SS**  trans-155.60147.9-84.4-64.1000110.2

Retrieved 452 of 452 residues in 645 ms (Link to these results)

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