A0A087YJD0_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 A0A087YJD0, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 449 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
1M64.3Low90.9Very high96 Ų9629.2 Ų29.247%0.47313%0.129SC..  0165.30-81.1179-91.800109.9E3 G45 N50M1-E3 HydrophobicContact CB-CG 4.42Å; M1-G45 WeakPolarHBondContact CE-O 3.37Å; M1-N50 HydrophobicContact SD-CB 3.72Å
2R78.8Confident91Very high127 Ų12728.7 Ų28.748%0.47913%0.134SC..  trans-125.164.6-172.7-80.3175.6172.3-175.8-4.1108.8T51 Q133 D251R2-T51 HydrophobicContact CB-CG2 4.26Å; R2-T51 WeakPolarHBondContact O-CB 3.35Å; R2-T51 VanDerWaalsContact O-CG2 3.24Å; R2-T51 WeakPolarHBondContact O-CG2 2.9Å; R2-Q133 VanDerWaalsContact CB-CD 3.45Å; R2-Q133 HydrophobicContact CB-CG 3.83Å; R2-Q133 HydrophobicContact CG-CG 4.15Å; R2-D251 WeakPolarHBondContact CD-OD1 3.31Å; R2-D251 VanDerWaalsContact CZ-CG 3.41Å; R2-D251 IonicContact CZ-OD1 3.74Å; R2-D251 IonicContact CZ-OD2 2.8Å; R2-D251 IonicContact NE-OD1 3.83Å; R2-D251 IonicContact NE-OD2 3.62Å; R2-D251 IonicContact NH1-OD1 3.71Å; R2-D251 PolarHBondContact NH1-OD1 2.94Å; R2-D251 IonicContact NH1-OD2 2.76Å; R2-D251 PolarHBondContact NH1-OD2 2.87Å; R2-D251 IonicContact NH2-OD2 2.66Å; R2-D251 PolarHBondContact NH2-OD2 3Å
3E90.4Very high91.2Very high2 Ų226.5 Ų26.51%0.00912%0.124CC..  trans-70.4142.3-172.3-57.693146.100111.8M1 T51 C129 T130 G131 L132 Q133M1-E3 HydrophobicContact CB-CG 4.42Å; E3-T51 WeakPolarHBondContact CA-O 3.46Å; E3-C129 HydrophobicContact CB-CB 3.94Å; E3-C129 HydrophobicContact CG-CB 4.15Å; E3-T130 PolarHBondContact OE1-N 3.34Å; E3-T130 PolarHBondContact OE1-OG1 3.38Å; E3-G131 PolarHBondContact N-O 3.02Å; E3-G131 VanDerWaalsContact OE2-CA 3.31Å; E3-G131 WeakPolarHBondContact OE2-CA 3.28Å; E3-G131 PolarHBondContact OE2-N 2.82Å; E3-L132 WeakPolarHBondContact O-CA 3.46Å; E3-Q133 PolarHBondContact O-N 3.09Å
4C92.3Very high91.5Very high0 Ų024.6 Ų24.60%012%0.115CC..EExtended strand (participates in β ladder)trans-125139.2176.2-63.70000109.3T51 F52 R64C4-T51 PolarHBondContact N-O 3.48Å; C4-F52 HydrophobicContact CB-CD2 4.48Å; C4-F52 HydrophobicContact CB-CE2 4.01Å; C4-F52 HydrophobicContact CB-CZ 4.29Å; C4-R64 WeakPolarHBondContact O-CB 3.29Å
5I95.8Very high91.6Very high0 Ų025.6 Ų25.60%012%0.12CC..EExtended strand (participates in β ladder)trans-106.4124.7175.3-64.4169.6000108.4M7 R64 L125 A126 L132 G134 F135 L136I5-M7 HydrophobicContact CG2-CG 4.21Å; I5-R64 WeakPolarHBondContact CA-O 3.42Å; I5-L125 HydrophobicContact CD1-CB 3.85Å; I5-L125 HydrophobicContact CG1-CB 4.44Å; I5-L125 HydrophobicContact CG2-CD1 4.36Å; I5-A126 HydrophobicContact CD1-CB 4.27Å; I5-L132 HydrophobicContact CB-CD1 4.46Å; I5-L132 HydrophobicContact CD1-CD1 3.72Å; I5-L132 HydrophobicContact CD1-CD2 4.29Å; I5-L132 HydrophobicContact CG1-CD1 3.77Å; I5-G134 PolarHBondContact N-O 3.37Å; I5-F135 HydrophobicContact CB-CD1 3.93Å; I5-F135 HydrophobicContact CB-CE1 4.2Å; I5-F135 HydrophobicContact CD1-CE1 4.06Å; I5-F135 HydrophobicContact CG2-CD1 4.21Å; I5-F135 HydrophobicContact CG2-CE1 4.47Å; I5-F135 CarbonylContact O-C 3.58Å; I5-F135 VanDerWaalsContact O-CA 3.3Å; I5-F135 WeakPolarHBondContact O-CA 3.48Å; I5-L136 PolarHBondContact O-N 2.73Å
6S96.7Very high91.7Very high1 Ų124.1 Ų24.11%0.00711%0.113CC..EExtended strand (participates in β ladder)trans-95.4127.1175.4-56.10000110.7H8 R64 A65 I66 L136S6-H8 WeakPolarHBondContact CB-NE2 3.2Å; S6-R64 PolarHBondContact N-O 2.94Å; S6-A65 CarbonylContact O-C 3.58Å; S6-A65 VanDerWaalsContact O-CA 3.22Å; S6-A65 WeakPolarHBondContact O-CA 3.03Å; S6-I66 PolarHBondContact O-N 3.05Å; S6-L136 CarbonylContact C-O 3.52Å; S6-L136 VanDerWaalsContact CA-O 3.31Å; S6-L136 WeakPolarHBondContact CA-O 3.36Å
7M97.6Very high91.9Very high0 Ų022.6 Ų22.60%011%0.106CC..EExtended strand (participates in β ladder)trans-115.9121.5178.5-56.4-169.273.200109.3I5 I66 V118 T122 F135 L136 I137 F138 L153 L157I5-M7 HydrophobicContact CG2-CG 4.21Å; M7-I66 CarbonylContact C-O 3.53Å; M7-I66 WeakPolarHBondContact CA-O 3.28Å; M7-I66 HydrophobicContact CE-CB 4.5Å; M7-I66 HydrophobicContact CE-CD1 4.19Å; M7-V118 HydrophobicContact CE-CG1 3.82Å; M7-T122 VanDerWaalsContact CE-OG1 3.27Å; M7-T122 WeakPolarHBondContact CE-OG1 3.42Å; M7-T122 HydrophobicContact SD-CG2 4.38Å; M7-F135 HydrophobicContact SD-CD1 4.06Å; M7-L136 PolarHBondContact N-O 2.88Å; M7-I137 HydrophobicContact CB-CG1 4.31Å; M7-I137 CarbonylContact O-C 3.53Å; M7-I137 WeakPolarHBondContact O-CA 3.18Å; M7-F138 PolarHBondContact O-N 2.84Å; M7-L153 HydrophobicContact CE-CD1 3.87Å; M7-L153 HydrophobicContact CE-CD2 3.61Å; M7-L153 HydrophobicContact CE-CG 4.31Å; M7-L153 HydrophobicContact SD-CD2 4.02Å; M7-L157 HydrophobicContact SD-CD1 3.89Å
8H97.9Very high92Very high1 Ų123.9 Ų23.91%0.00511%0.114CC..EExtended strand (participates in β ladder)trans-111.5111.9-175.2-60.1-80.9000108.5S6 G13 G17 W21 I66 F67 V68 F138S6-H8 WeakPolarHBondContact CB-NE2 3.2Å; H8-G13 PolarHBondContact ND1-O 2.94Å; H8-G17 WeakPolarHBondContact CE1-CA 3.4Å; H8-G17 WeakPolarHBondContact ND1-CA 3.45Å; H8-W21 AromaticContact NE2-CD1 3.98Å; H8-W21 AromaticContact NE2-NE1 3.23Å; H8-W21 PolarHBondContact NE2-NE1 3.44Å; H8-I66 PolarHBondContact N-O 3.08Å; H8-F67 HydrophobicContact CB-CD1 3.67Å; H8-F67 HydrophobicContact CB-CE1 3.9Å; H8-F67 HydrophobicContact CB-CG 4.15Å; H8-F67 AromaticContact CD2-CE1 3.98Å; H8-F67 AromaticContact CD2-CE2 3.9Å; H8-F67 AromaticContact CD2-CZ 3.77Å; H8-F67 AromaticContact CG-CE1 3.84Å; H8-V68 PolarHBondContact O-N 3.18Å; H8-F138 AromaticContact CE1-CD2 3.2Å; H8-F138 WeakPolarHBondContact CE1-CD2 3.47Å; H8-F138 AromaticContact CE1-CE2 3.55Å; H8-F138 AromaticContact CE1-CG 3.66Å; H8-F138 AromaticContact ND1-CD2 3.43Å; H8-F138 WeakPolarHBondContact ND1-CD2 3.49Å; H8-F138 AromaticContact ND1-CG 3.54Å; H8-F138 AromaticContact NE2-CD2 3.98Å
9V97.4Very high92.1Very high0 Ų023.3 Ų23.30%011%0.113CC..EExtended strand (participates in β ladder)trans-113.7124.6-169.7-177.70000111.5G13 V68 F138 H139 T145 F149 T150 L153V9-G13 PolarHBondContact O-N 3.08Å; V9-V68 WeakPolarHBondContact CA-O 3.46Å; V9-F138 PolarHBondContact N-O 2.99Å; V9-H139 HydrophobicContact CB-CB 4.28Å; V9-T145 HydrophobicContact CG1-CG2 4Å; V9-F149 HydrophobicContact CG1-CB 4.35Å; V9-F149 HydrophobicContact CG1-CD1 3.73Å; V9-T150 WeakPolarHBondContact CG1-OG1 3.35Å; V9-L153 HydrophobicContact CG2-CD2 4.11Å
10G95.3Very high92.2Very high2 Ų222.2 Ų22.22%0.02111%0.108CC..Hα-helixtrans69.9179-179.200000113.6A12 G13 A14 V68G10-A12 PolarHBondContact O-N 3.3Å; G10-G13 PolarHBondContact O-N 2.96Å; G10-A14 WeakPolarHBondContact O-CB 3.25Å; G10-A14 PolarHBondContact O-N 2.61Å; G10-V68 PolarHBondContact N-O 3.25Å
11Q93Very high92.4Very high92 Ų9221.2 Ų21.243%0.4310%0.103SC..Hα-helixtrans-50.5-51.6-178.6174173.8-15.500113.6A14 Q15 D69 V74Q11-A14 PolarHBondContact O-N 2.84Å; Q11-Q15 HydrophobicContact CG-CG 4.48Å; Q11-Q15 WeakPolarHBondContact O-CB 3.17Å; Q11-Q15 VanDerWaalsContact O-CG 3.3Å; Q11-Q15 WeakPolarHBondContact O-CG 3.36Å; Q11-Q15 PolarHBondContact O-N 3.44Å; Q11-D69 PolarHBondContact N-OD2 2.99Å; Q11-V74 HydrophobicContact CB-CG2 3.86Å; Q11-V74 HydrophobicContact CG-CG2 3.69Å
12A91.9Very high93.8Very high23 Ų2318.8 Ų18.819%0.199%0.09CC..Hα-helixtrans-63.4-47.3-177.500000111.5G10 A14 Q15 M16G10-A12 PolarHBondContact O-N 3.3Å; A12-A14 PolarHBondContact O-N 3.22Å; A12-Q15 PolarHBondContact O-N 2.94Å; A12-M16 WeakPolarHBondContact O-CB 3.32Å; A12-M16 VanDerWaalsContact O-CG 3.25Å; A12-M16 WeakPolarHBondContact O-CG 3.3Å; A12-M16 PolarHBondContact O-N 3.42Å
13G94.5Very high94.6Very high0 Ų012.8 Ų12.80%07%0.068CC..Hα-helixtrans-58.2-48.4176.500000111.9H8 V9 G10 M16 G17 F138H8-G13 PolarHBondContact ND1-O 2.94Å; V9-G13 PolarHBondContact O-N 3.08Å; G10-G13 PolarHBondContact O-N 2.96Å; G13-M16 PolarHBondContact O-N 3.38Å; G13-G17 PolarHBondContact O-N 3.46Å; G13-F138 WeakPolarHBondContact CA-O 3.46Å
14A94.6Very high94.8Very high0 Ų012.8 Ų12.80%07%0.068CC..Hα-helixtrans-63.4-43.5-179.700000113G10 Q11 A12 G17 N18 F67 V74G10-A14 WeakPolarHBondContact O-CB 3.25Å; G10-A14 PolarHBondContact O-N 2.61Å; Q11-A14 PolarHBondContact O-N 2.84Å; A12-A14 PolarHBondContact O-N 3.22Å; A14-G17 PolarHBondContact O-N 3.41Å; A14-N18 PolarHBondContact O-N 2.9Å; A14-N18 PolarHBondContact O-ND2 3.21Å; A14-F67 HydrophobicContact CB-CD1 3.95Å; A14-F67 HydrophobicContact CB-CE1 4.48Å; A14-V74 HydrophobicContact CB-CG1 3.79Å
15Q93.6Very high94.8Very high40 Ų4012.8 Ų12.819%0.1877%0.068CC..Hα-helixtrans-69-39179-69.4-178.8-15.400112.5Q11 A12 G17 A19 V74 N228Q11-Q15 HydrophobicContact CG-CG 4.48Å; Q11-Q15 WeakPolarHBondContact O-CB 3.17Å; Q11-Q15 VanDerWaalsContact O-CG 3.3Å; Q11-Q15 WeakPolarHBondContact O-CG 3.36Å; Q11-Q15 PolarHBondContact O-N 3.44Å; A12-Q15 PolarHBondContact O-N 2.94Å; Q15-G17 VanDerWaalsContact C-N 3.35Å; Q15-A19 PolarHBondContact O-N 3.18Å; Q15-V74 HydrophobicContact CG-CG1 3.84Å; Q15-N228 WeakPolarHBondContact CB-ND2 3.41Å
16M93.6Very high94.6Very high1 Ų115.6 Ų15.61%0.0058%0.082CC..Hα-helixtrans-63.4-43.5171.1-69.6-171.5-29.200111A12 G13 N18 A19 C20 F138 V171 I231A12-M16 WeakPolarHBondContact O-CB 3.32Å; A12-M16 VanDerWaalsContact O-CG 3.25Å; A12-M16 WeakPolarHBondContact O-CG 3.3Å; A12-M16 PolarHBondContact O-N 3.42Å; G13-M16 PolarHBondContact O-N 3.38Å; M16-N18 VanDerWaalsContact C-N 3.34Å; M16-N18 PolarHBondContact O-N 2.82Å; M16-A19 PolarHBondContact O-N 2.93Å; M16-C20 PolarHBondContact O-N 2.82Å; M16-C20 PolarHBondContact O-SG 3.35Å; M16-F138 HydrophobicContact CE-CB 3.82Å; M16-F138 HydrophobicContact CE-CD1 3.9Å; M16-F138 HydrophobicContact CE-CG 4.38Å; M16-V171 HydrophobicContact CE-CG2 3.99Å; M16-V171 HydrophobicContact SD-CG2 3.31Å; M16-V171 WeakPolarHBondContact SD-CG2 3.18Å; M16-I231 HydrophobicContact CG-CD1 4.3Å; M16-I231 HydrophobicContact CG-CG2 4.36Å; M16-I231 HydrophobicContact SD-CD1 3.92Å; M16-I231 HydrophobicContact SD-CG2 3.91Å
17G93.9Very high94.4Very high0 Ų016.4 Ų16.40%09%0.086CC..Hα-helixtrans-56.6-45.8176.900000112.6H8 G13 A14 Q15 A19 C20 W21H8-G17 WeakPolarHBondContact CE1-CA 3.4Å; H8-G17 WeakPolarHBondContact ND1-CA 3.45Å; G13-G17 PolarHBondContact O-N 3.46Å; A14-G17 PolarHBondContact O-N 3.41Å; Q15-G17 VanDerWaalsContact C-N 3.35Å; G17-A19 VanDerWaalsContact C-N 3.34Å; G17-A19 PolarHBondContact O-N 3.02Å; G17-C20 PolarHBondContact O-N 3.09Å; G17-W21 PolarHBondContact O-N 2.93Å
18N94.1Very high94Very high45 Ų4517.1 Ų17.124%0.2419%0.09CC..Hα-helixtrans-56.4-46.9175.7-75.4-27.2000112.4A14 M16 E22 V78A14-N18 PolarHBondContact O-N 2.9Å; A14-N18 PolarHBondContact O-ND2 3.21Å; M16-N18 VanDerWaalsContact C-N 3.34Å; M16-N18 PolarHBondContact O-N 2.82Å; N18-E22 WeakPolarHBondContact O-CB 3.46Å; N18-E22 PolarHBondContact O-N 2.88Å; N18-V78 VanDerWaalsContact ND2-CG2 3.33Å; N18-V78 WeakPolarHBondContact ND2-CG2 3.12Å; N18-V78 VanDerWaalsContact OD1-CG2 3.25Å; N18-V78 WeakPolarHBondContact OD1-CG2 3.23Å
19A93.8Very high93.6Very high12 Ų1219 Ų1910%0.09911%0.109CC..Hα-helixtrans-66.3-37.7178.600000112.2Q15 M16 G17 L23 N228Q15-A19 PolarHBondContact O-N 3.18Å; M16-A19 PolarHBondContact O-N 2.93Å; G17-A19 VanDerWaalsContact C-N 3.34Å; G17-A19 PolarHBondContact O-N 3.02Å; A19-L23 WeakPolarHBondContact O-CB 3.45Å; A19-L23 PolarHBondContact O-N 3.38Å; A19-N228 HydrophobicContact CB-CB 4.01Å; A19-N228 WeakPolarHBondContact CB-O 3.02Å
20C95.1Very high93.3Very high1 Ų119.4 Ų19.41%0.00711%0.111CC..Hα-helixtrans-66-48177-65.20000111.7M16 G17 L23 Y24M16-C20 PolarHBondContact O-N 2.82Å; M16-C20 PolarHBondContact O-SG 3.35Å; G17-C20 PolarHBondContact O-N 3.09Å; C20-L23 PolarHBondContact O-N 3.28Å; C20-Y24 HydrophobicContact CB-CE2 4.3Å; C20-Y24 WeakPolarHBondContact O-CD1 3.42Å; C20-Y24 PolarHBondContact O-N 3.11Å
21W95.4Very high93.1Very high3 Ų323.6 Ų23.61%0.01113%0.13CC..Hα-helixtrans-71.1-33.5-178.9-73.6109.2000113H8 G17 L23 Y24 C25 F52 F53 P63 A65 F67 F87H8-W21 AromaticContact NE2-CD1 3.98Å; H8-W21 AromaticContact NE2-NE1 3.23Å; H8-W21 PolarHBondContact NE2-NE1 3.44Å; G17-W21 PolarHBondContact O-N 2.93Å; W21-L23 VanDerWaalsContact C-N 3.31Å; W21-L23 PolarHBondContact O-N 2.83Å; W21-Y24 AromaticContact CD2-CD2 3.96Å; W21-Y24 HydrophobicContact CD2-CD2 3.96Å; W21-Y24 AromaticContact CE3-CD2 3.63Å; W21-Y24 HydrophobicContact CE3-CD2 3.63Å; W21-Y24 HydrophobicContact CE3-CE2 4.49Å; W21-Y24 HydrophobicContact CH2-CD2 4.41Å; W21-Y24 AromaticContact CZ3-CD2 3.88Å; W21-Y24 HydrophobicContact CZ3-CD2 3.88Å; W21-Y24 PolarHBondContact O-N 3.49Å; W21-C25 WeakPolarHBondContact O-CB 3.36Å; W21-C25 PolarHBondContact O-N 3.5Å; W21-C25 PolarHBondContact O-SG 3.36Å; W21-F52 HydrophobicContact CH2-CB 4.06Å; W21-F52 AromaticContact CH2-CD1 3.86Å; W21-F52 HydrophobicContact CH2-CD1 3.86Å; W21-F52 HydrophobicContact CH2-CG 4.44Å; W21-F52 WeakPolarHBondContact CH2-O 3.32Å; W21-F52 HydrophobicContact CZ2-CD1 4.48Å; W21-F52 HydrophobicContact CZ3-CB 4.22Å; W21-F52 HydrophobicContact CZ3-CD1 4.4Å; W21-F53 HydrophobicContact CE3-CE1 4.09Å; W21-F53 AromaticContact CE3-CZ 3.87Å; W21-F53 HydrophobicContact CE3-CZ 3.87Å; W21-F53 HydrophobicContact CZ3-CD1 4.44Å; W21-F53 AromaticContact CZ3-CE1 3.9Å; W21-F53 HydrophobicContact CZ3-CE1 3.9Å; W21-F53 HydrophobicContact CZ3-CE2 4.07Å; W21-F53 AromaticContact CZ3-CZ 3.68Å; W21-F53 HydrophobicContact CZ3-CZ 3.68Å; W21-P63 HydrophobicContact CD2-CB 3.98Å; W21-P63 HydrophobicContact CD2-CG 4.26Å; W21-P63 HydrophobicContact CE3-CB 3.7Å; W21-P63 HydrophobicContact CE3-CG 3.82Å; W21-P63 HydrophobicContact CH2-CB 3.72Å; W21-P63 HydrophobicContact CZ2-CB 3.98Å; W21-P63 HydrophobicContact CZ3-CB 3.57Å; W21-P63 HydrophobicContact CZ3-CG 4.05Å; W21-A65 HydrophobicContact CZ2-CB 3.6Å; W21-F67 AromaticContact CD1-CZ 3.81Å; W21-F87 HydrophobicContact CB-CE1 4.34Å; W21-F87 HydrophobicContact CB-CZ 3.88Å; W21-F87 AromaticContact CD1-CE1 3.9Å; W21-F87 AromaticContact CD1-CZ 3.97Å; W21-F87 HydrophobicContact CD2-CE1 4.29Å; W21-F87 AromaticContact CG-CE1 3.93Å; W21-F87 HydrophobicContact CG-CE1 3.93Å; W21-F87 AromaticContact CG-CZ 3.91Å; W21-F87 HydrophobicContact CG-CZ 3.91Å
22E94.9Very high93.1Very high44 Ų4421 Ų2121%0.20612%0.122CC..Hα-helixtrans-55.3-49.7168.2172.6175.5-142.100110.1N18 C25 L26 Y83 V363N18-E22 WeakPolarHBondContact O-CB 3.46Å; N18-E22 PolarHBondContact O-N 2.88Å; E22-C25 PolarHBondContact O-N 3.4Å; E22-L26 HydrophobicContact CG-CD1 4.31Å; E22-L26 WeakPolarHBondContact O-CG 3.36Å; E22-L26 PolarHBondContact O-N 3.38Å; E22-L26 VanDerWaalsContact O-N 3.12Å; E22-Y83 HydrophobicContact CB-CE2 3.78Å; E22-Y83 HydrophobicContact CG-CE2 3.81Å; E22-V363 HydrophobicContact CG-CG1 4.25Å; E22-V363 HydrophobicContact CG-CG2 4.43Å; E22-V363 WeakPolarHBondContact OE1-CG1 3.41Å
23L94Very high93Very high2 Ų222.6 Ų22.61%0.0113%0.127CC..Hα-helixtrans-65.9-42.5179.5-178.258.6000112.5A19 C20 W21 C25 L26 E27 G232 Q233 T361 V363A19-L23 WeakPolarHBondContact O-CB 3.45Å; A19-L23 PolarHBondContact O-N 3.38Å; C20-L23 PolarHBondContact O-N 3.28Å; W21-L23 VanDerWaalsContact C-N 3.31Å; W21-L23 PolarHBondContact O-N 2.83Å; L23-C25 VanDerWaalsContact C-N 3.31Å; L23-C25 PolarHBondContact O-N 3.08Å; L23-L26 PolarHBondContact O-N 2.93Å; L23-E27 HydrophobicContact CD1-CG 4.19Å; L23-E27 HydrophobicContact CG-CG 4.39Å; L23-E27 WeakPolarHBondContact O-CG 3.48Å; L23-E27 PolarHBondContact O-N 3.08Å; L23-G232 WeakPolarHBondContact CD2-O 3.3Å; L23-Q233 HydrophobicContact CD2-CG 4.31Å; L23-T361 HydrophobicContact CD1-CG2 4.34Å; L23-T361 WeakPolarHBondContact CD1-O 3.41Å; L23-V363 HydrophobicContact CD1-CG2 4.35Å
24Y94.4Very high92.7Very high1 Ų122.6 Ų22.60%0.00413%0.127CC..Hα-helixtrans-59.9-42.3176.1-64.3-20.7000111.9C20 W21 L26 E27 H28 F52 V235 T239 R243C20-Y24 HydrophobicContact CB-CE2 4.3Å; C20-Y24 WeakPolarHBondContact O-CD1 3.42Å; C20-Y24 PolarHBondContact O-N 3.11Å; W21-Y24 AromaticContact CD2-CD2 3.96Å; W21-Y24 HydrophobicContact CD2-CD2 3.96Å; W21-Y24 AromaticContact CE3-CD2 3.63Å; W21-Y24 HydrophobicContact CE3-CD2 3.63Å; W21-Y24 HydrophobicContact CE3-CE2 4.49Å; W21-Y24 HydrophobicContact CH2-CD2 4.41Å; W21-Y24 AromaticContact CZ3-CD2 3.88Å; W21-Y24 HydrophobicContact CZ3-CD2 3.88Å; W21-Y24 PolarHBondContact O-N 3.49Å; Y24-L26 VanDerWaalsContact C-N 3.32Å; Y24-L26 PolarHBondContact O-N 3.36Å; Y24-E27 PolarHBondContact O-N 2.99Å; Y24-H28 PolarHBondContact O-CD2 3.35Å; Y24-H28 PolarHBondContact O-N 2.87Å; Y24-F52 HydrophobicContact CD2-CD1 4.31Å; Y24-F52 AromaticContact CE2-CD1 3.9Å; Y24-F52 HydrophobicContact CE2-CD1 3.9Å; Y24-F52 AromaticContact CE2-CE1 3.94Å; Y24-F52 HydrophobicContact CE2-CE1 3.94Å; Y24-V235 WeakPolarHBondContact OH-CG1 3.45Å; Y24-T239 PolarHBondContact OH-OG1 2.99Å; Y24-R243 VanDerWaalsContact CD1-CZ 3.42Å; Y24-R243 VanDerWaalsContact CE1-CZ 3.48Å
25C93.3Very high92.5Very high0 Ų026.1 Ų26.10%014%0.143CC..Hα-helixtrans-60.8-44.1176.2-69.10000111.3W21 E22 L23 H28 G29 I30 Y83 L86W21-C25 WeakPolarHBondContact O-CB 3.36Å; W21-C25 PolarHBondContact O-N 3.5Å; W21-C25 PolarHBondContact O-SG 3.36Å; E22-C25 PolarHBondContact O-N 3.4Å; L23-C25 VanDerWaalsContact C-N 3.31Å; L23-C25 PolarHBondContact O-N 3.08Å; C25-H28 PolarHBondContact O-N 3.09Å; C25-G29 CarbonylContact O-C 3.57Å; C25-G29 WeakPolarHBondContact O-CA 3.48Å; C25-G29 PolarHBondContact O-N 3Å; C25-I30 HydrophobicContact CB-CB 4.24Å; C25-I30 WeakPolarHBondContact CB-O 3.35Å; C25-I30 PolarHBondContact O-N 3.12Å; C25-Y83 HydrophobicContact CB-CE1 3.99Å; C25-L86 WeakPolarHBondContact SG-CD2 3.37Å
26L92.7Very high92.1Very high59 Ų5925.4 Ų25.431%0.30914%0.14SC..Hα-helixtrans-65.3-40.1178-67.9170.3000112.8E22 L23 Y24 G29 T361 V363E22-L26 HydrophobicContact CG-CD1 4.31Å; E22-L26 WeakPolarHBondContact O-CG 3.36Å; E22-L26 PolarHBondContact O-N 3.38Å; E22-L26 VanDerWaalsContact O-N 3.12Å; L23-L26 PolarHBondContact O-N 2.93Å; Y24-L26 VanDerWaalsContact C-N 3.32Å; Y24-L26 PolarHBondContact O-N 3.36Å; L26-G29 PolarHBondContact O-N 3.1Å; L26-T361 HydrophobicContact CB-CG2 3.98Å; L26-V363 HydrophobicContact CD1-CB 4.26Å; L26-V363 HydrophobicContact CD1-CG1 4.23Å; L26-V363 HydrophobicContact CD1-CG2 4.08Å
27E90.9Very high91.5Very high18 Ų1829.9 Ų29.98%0.08417%0.169CC..Hα-helixtrans-67.4-35.2178.9-73.1-174.7174.200112.7L23 Y24 S236 R243 F244 R320 T361L23-E27 HydrophobicContact CD1-CG 4.19Å; L23-E27 HydrophobicContact CG-CG 4.39Å; L23-E27 WeakPolarHBondContact O-CG 3.48Å; L23-E27 PolarHBondContact O-N 3.08Å; Y24-E27 PolarHBondContact O-N 2.99Å; E27-S236 VanDerWaalsContact CD-OG 3.24Å; E27-S236 PolarHBondContact OE1-OG 3.36Å; E27-S236 PolarHBondContact OE2-OG 3.05Å; E27-R243 IonicContact OE2-CZ 3.23Å; E27-R243 IonicContact OE2-NH1 3.49Å; E27-R243 PolarHBondContact OE2-NH1 3.15Å; E27-R243 IonicContact OE2-NH2 3.7Å; E27-R243 PolarHBondContact OE2-NH2 3.43Å; E27-F244 HydrophobicContact CB-CZ 3.93Å; E27-F244 WeakPolarHBondContact OE2-CE2 3.33Å; E27-R320 IonicContact OE1-CZ 2.78Å; E27-R320 IonicContact OE1-NH1 3.6Å; E27-R320 PolarHBondContact OE1-NH1 3.12Å; E27-R320 IonicContact OE1-NH2 2.73Å; E27-R320 IonicContact OE2-NH1 3.53Å; E27-R320 PolarHBondContact OE2-NH1 3.45Å; E27-R320 IonicContact OE2-NH2 3.44Å; E27-T361 HydrophobicContact CG-CG2 4.28Å
28H89.5Confident90.4Very high16 Ų1633.5 Ų33.57%0.07419%0.194CC..Hα-helixtrans-93.2-2.9178.7-65.5-67.5000113.7Y24 C25 I30 M36 R243 F244Y24-H28 PolarHBondContact O-CD2 3.35Å; Y24-H28 PolarHBondContact O-N 2.87Å; C25-H28 PolarHBondContact O-N 3.09Å; H28-I30 VanDerWaalsContact C-N 3.28Å; H28-I30 HydrophobicContact CB-CD1 3.95Å; H28-I30 HydrophobicContact CB-CG1 4.02Å; H28-I30 PolarHBondContact O-N 2.93Å; H28-M36 WeakPolarHBondContact O-CE 3.39Å; H28-R243 PolarHBondContact CE1-O 3.26Å; H28-R243 PolarHBondContact NE2-NH1 3.07Å; H28-F244 AromaticContact CE1-CD1 3.92Å; H28-F244 AromaticContact CE1-CE1 3.18Å; H28-F244 WeakPolarHBondContact CE1-CE1 3.49Å; H28-F244 AromaticContact CE1-CZ 3.25Å; H28-F244 WeakPolarHBondContact CE1-CZ 3.41Å; H28-F244 AromaticContact ND1-CE1 3.45Å; H28-F244 WeakPolarHBondContact ND1-CE1 3.32Å; H28-F244 AromaticContact ND1-CZ 3.73Å; H28-F244 AromaticContact NE2-CZ 3.69Å
29G88.9Confident89.1Confident40 Ų4032.4 Ų32.441%0.41219%0.189SC..THydrogen-bonded Turntrans69.324.7-177.300000114.1C25 L26C25-G29 CarbonylContact O-C 3.57Å; C25-G29 WeakPolarHBondContact O-CA 3.48Å; C25-G29 PolarHBondContact O-N 3Å; L26-G29 PolarHBondContact O-N 3.1Å
30I91.2Very high87.7Confident8 Ų841.3 Ų41.34%0.04123%0.225CC..  trans-83.6129.6176.4-60170.6000108.6C25 H28 M36 F53 H61 L86C25-I30 HydrophobicContact CB-CB 4.24Å; C25-I30 WeakPolarHBondContact CB-O 3.35Å; C25-I30 PolarHBondContact O-N 3.12Å; H28-I30 VanDerWaalsContact C-N 3.28Å; H28-I30 HydrophobicContact CB-CD1 3.95Å; H28-I30 HydrophobicContact CB-CG1 4.02Å; H28-I30 PolarHBondContact O-N 2.93Å; I30-M36 HydrophobicContact CG1-CB 4.29Å; I30-M36 HydrophobicContact CG1-CG 4.34Å; I30-M36 HydrophobicContact CG1-SD 3.97Å; I30-F53 HydrophobicContact CD1-CD1 3.86Å; I30-F53 HydrophobicContact CD1-CD2 3.91Å; I30-F53 HydrophobicContact CD1-CE1 3.67Å; I30-F53 HydrophobicContact CD1-CE2 3.74Å; I30-F53 HydrophobicContact CD1-CG 3.98Å; I30-F53 HydrophobicContact CD1-CZ 3.61Å; I30-H61 HydrophobicContact CD1-CB 4.12Å; I30-H61 HydrophobicContact CG2-CB 4.42Å; I30-L86 HydrophobicContact CG2-CD1 4.32Å
31Q92.4Very high86.1Confident90 Ų9044.5 Ų44.542%0.42125%0.245SC..  trans-76.9160.7177.4-66.4-172.6900111.4D33 G34 Q35Q31-D33 WeakPolarHBondContact CB-OD1 3.41Å; Q31-D33 PolarHBondContact O-N 2.98Å; Q31-G34 WeakPolarHBondContact O-CA 3.25Å; Q31-G34 PolarHBondContact O-N 3.06Å; Q31-Q35 WeakPolarHBondContact CB-O 3.46Å; Q31-Q35 PolarHBondContact N-O 3.45Å
32P92.6Very high84.3Confident39 Ų3950.2 Ų50.225%0.25327%0.274SS..THydrogen-bonded Turntrans-61.1-16.9-179.8-24.434.5000115.7G34 M82 Y83P32-G34 VanDerWaalsContact C-N 3.33Å; P32-M82 HydrophobicContact CB-CE 4.47Å; P32-M82 HydrophobicContact CB-CG 4.16Å; P32-M82 HydrophobicContact CG-CE 3.49Å; P32-M82 VanDerWaalsContact CG-CE 3.49Å; P32-M82 HydrophobicContact CG-CG 4.17Å; P32-Y83 HydrophobicContact CB-CD1 3.82Å; P32-Y83 HydrophobicContact CB-CE1 3.88Å; P32-Y83 HydrophobicContact CB-CG 4.48Å; P32-Y83 HydrophobicContact CG-CD1 4.42Å; P32-Y83 HydrophobicContact CG-CE1 3.97Å
33D89.8Confident82.4Confident55 Ų5551.3 Ų51.329%0.29430%0.297SS..THydrogen-bonded Turntrans-86.5-3.4173.366.5-8.3000113.4Q31 Q35 K60Q31-D33 WeakPolarHBondContact CB-OD1 3.41Å; Q31-D33 PolarHBondContact O-N 2.98Å; D33-Q35 WeakPolarHBondContact OD1-CB 3.23Å; D33-Q35 PolarHBondContact OD1-N 2.85Å; D33-K60 WeakPolarHBondContact O-CE 3.35Å
34G89.1Confident80.4Confident0 Ų053 Ų530%032%0.315CS..SBendtrans864.9-177.600000114.3Q31 P32 K60 H61Q31-G34 WeakPolarHBondContact O-CA 3.25Å; Q31-G34 PolarHBondContact O-N 3.06Å; P32-G34 VanDerWaalsContact C-N 3.33Å; G34-K60 WeakPolarHBondContact O-CA 3.09Å; G34-H61 PolarHBondContact O-N 2.73Å
35Q89.1Confident78.5Confident75 Ų7554.3 Ų54.335%0.3533%0.329SS..BIsolated β-bridgetrans-79.6141.8175.9-68.9-70.6-24.200111.2Q31 D33 S58Q31-Q35 WeakPolarHBondContact CB-O 3.46Å; Q31-Q35 PolarHBondContact N-O 3.45Å; D33-Q35 WeakPolarHBondContact OD1-CB 3.23Å; D33-Q35 PolarHBondContact OD1-N 2.85Å; Q35-S58 PolarHBondContact NE2-O 2.89Å
36M85.8Confident76.7Confident25 Ų2561.3 Ų61.312%0.12337%0.366CS..  trans-12492176.3-174170.1169.400109.4H28 I30 S38 D39 F49H28-M36 WeakPolarHBondContact O-CE 3.39Å; I30-M36 HydrophobicContact CG1-CB 4.29Å; I30-M36 HydrophobicContact CG1-CG 4.34Å; I30-M36 HydrophobicContact CG1-SD 3.97Å; M36-S38 VanDerWaalsContact CE-OG 3.28Å; M36-S38 WeakPolarHBondContact CE-OG 3.44Å; M36-S38 VanDerWaalsContact CG-OG 3.31Å; M36-S38 WeakPolarHBondContact CG-OG 3.22Å; M36-S38 PolarHBondContact O-N 3.13Å; M36-S38 VanDerWaalsContact O-N 3.09Å; M36-D39 HydrophobicContact CB-CB 4.11Å; M36-D39 HydrophobicContact CG-CB 3.92Å; M36-D39 PolarHBondContact O-N 2.84Å; M36-D39 HydrophobicContact SD-CB 4.11Å; M36-F49 HydrophobicContact CE-CD1 4.49Å; M36-F49 HydrophobicContact CE-CE1 3.92Å; M36-F49 HydrophobicContact CE-CZ 4.19Å; M36-F49 HydrophobicContact SD-CE1 4.29Å; M36-F49 HydrophobicContact SD-CE2 4.31Å; M36-F49 HydrophobicContact SD-CZ 4.01Å
37P79.8Confident75.6Confident94 Ų9461.9 Ų61.961%0.6137%0.37SS*.THydrogen-bonded Turntrans-61.9-21.4-176.1-22.832.4000114.5
38S72.8Confident74.7Confident76 Ų7663.5 Ų63.553%0.53138%0.383SS..THydrogen-bonded Turntrans-78-21.2177.347.90000113.4M36 K40M36-S38 VanDerWaalsContact CE-OG 3.28Å; M36-S38 WeakPolarHBondContact CE-OG 3.44Å; M36-S38 VanDerWaalsContact CG-OG 3.31Å; M36-S38 WeakPolarHBondContact CG-OG 3.22Å; M36-S38 PolarHBondContact O-N 3.13Å; M36-S38 VanDerWaalsContact O-N 3.09Å; S38-K40 PolarHBondContact O-N 2.9Å
39D66.2Low74.1Confident23 Ų2363.3 Ų63.312%0.12338%0.382CS..  trans-78114.3177.6-177.411.7000109.4M36 T41 H61M36-D39 HydrophobicContact CB-CB 4.11Å; M36-D39 HydrophobicContact CG-CB 3.92Å; M36-D39 PolarHBondContact O-N 2.84Å; M36-D39 HydrophobicContact SD-CB 4.11Å; D39-T41 WeakPolarHBondContact OD1-CA 3.42Å; D39-T41 PolarHBondContact OD1-N 2.91Å; D39-T41 PolarHBondContact OD1-OG1 3.43Å; D39-H61 IonicContact OD2-CE1 2.82Å; D39-H61 PolarHBondContact OD2-CE1 3.19Å; D39-H61 IonicContact OD2-NE2 3.93Å; D39-H61 PolarHBondContact OD2-NE2 2.62Å
40K63.4Low73.9Confident198 Ų19861.9 Ų61.986%0.86137%0.365SS*.  trans-97.2-1.8179-65.9-175.3-179.1177.60112.1S38S38-K40 PolarHBondContact O-N 2.9Å
41T61.9Low73.7Confident69 Ų6962 Ų6242%0.42337%0.366SS..  trans-113.159.8-172.529.70000110D39 G43 G44D39-T41 WeakPolarHBondContact OD1-CA 3.42Å; D39-T41 PolarHBondContact OD1-N 2.91Å; D39-T41 PolarHBondContact OD1-OG1 3.43Å; T41-G43 PolarHBondContact O-N 3.33Å; T41-G44 PolarHBondContact O-N 3.19Å
42I58.7Low73.6Confident123 Ų12357.8 Ų57.863%0.63135%0.346SS*.THydrogen-bonded Turntrans-56.7112.3172.7-57.2172.5000108.7E55I42-E55 WeakPolarHBondContact CA-OE1 3.35Å
43G54.6Low73.6Confident67 Ų6755.9 Ų55.969%0.69133%0.334SS*.THydrogen-bonded Turntrans82.710.8-176.400000115.9T41 E55T41-G43 PolarHBondContact O-N 3.33Å; G43-E55 WeakPolarHBondContact CA-OE2 3.45Å; G43-E55 VanDerWaalsContact N-CD 3.33Å; G43-E55 PolarHBondContact N-OE1 3.4Å; G43-E55 PolarHBondContact N-OE2 3.12Å; G43-E55 VanDerWaalsContact N-OE2 3.09Å
44G51.8Low73.6Confident36 Ų3654.1 Ų54.137%0.37133%0.326SS..  trans-101.181176.400000111.5T41 D46T41-G44 PolarHBondContact O-N 3.19Å; G44-D46 PolarHBondContact O-N 3.45Å
45G53.1Low73.5Confident30 Ų3056.3 Ų56.331%0.30934%0.336SS..  trans-78.338.6-163.200000119M1 N50M1-G45 WeakPolarHBondContact CE-O 3.37Å; G45-N50 WeakPolarHBondContact CA-ND2 3.38Å; G45-N50 PolarHBondContact O-ND2 3.19Å
46D57.3Low73.3Confident146 Ų14655 Ų5578%0.78133%0.334SS*.  trans-114.110.5-176.2-88-18.6000116.1G44G44-D46 PolarHBondContact O-N 3.45Å
47D68.8Low73Confident71 Ų7158 Ų5838%0.3837%0.371SS..SBendtrans-78.7147176.4-77.4-21.7000113.5F49 N50D47-F49 HydrophobicContact CB-CD1 3.68Å; D47-F49 HydrophobicContact CB-CE1 3.2Å; D47-F49 HydrophobicContact CB-CE2 4.26Å; D47-F49 HydrophobicContact CB-CG 4.4Å; D47-F49 HydrophobicContact CB-CZ 3.53Å; D47-F49 PolarHBondContact O-N 3.41Å; D47-F49 VanDerWaalsContact OD2-CE1 3.3Å; D47-F49 WeakPolarHBondContact OD2-CE1 3.38Å; D47-N50 WeakPolarHBondContact O-CB 3.37Å; D47-N50 PolarHBondContact O-N 3.34Å
48S72.2Confident73.1Confident52 Ų5257.5 Ų57.536%0.36437%0.369SS..G310 helixtrans-56.2-20.6-176.354.20000115.6T51 R243S48-T51 WeakPolarHBondContact O-CG2 3.24Å; S48-T51 PolarHBondContact O-OG1 3.37Å; S48-R243 CarbonylContact C-O 3.55Å; S48-R243 WeakPolarHBondContact CB-O 3.39Å; S48-R243 PolarHBondContact OG-O 3.05Å
49F76.7Confident73.6Confident13 Ų1354.2 Ų54.26%0.05735%0.348CS..G310 helixtrans-82.2-14.217858.7-101.3000114.1M36 D47 T51 F52 F53 H61M36-F49 HydrophobicContact CE-CD1 4.49Å; M36-F49 HydrophobicContact CE-CE1 3.92Å; M36-F49 HydrophobicContact CE-CZ 4.19Å; M36-F49 HydrophobicContact SD-CE1 4.29Å; M36-F49 HydrophobicContact SD-CE2 4.31Å; M36-F49 HydrophobicContact SD-CZ 4.01Å; D47-F49 HydrophobicContact CB-CD1 3.68Å; D47-F49 HydrophobicContact CB-CE1 3.2Å; D47-F49 HydrophobicContact CB-CE2 4.26Å; D47-F49 HydrophobicContact CB-CG 4.4Å; D47-F49 HydrophobicContact CB-CZ 3.53Å; D47-F49 PolarHBondContact O-N 3.41Å; D47-F49 VanDerWaalsContact OD2-CE1 3.3Å; D47-F49 WeakPolarHBondContact OD2-CE1 3.38Å; F49-T51 PolarHBondContact O-N 2.95Å; F49-T51 VanDerWaalsContact O-N 3.08Å; F49-F52 PolarHBondContact O-N 2.8Å; F49-F53 PolarHBondContact O-N 3.31Å; F49-F53 VanDerWaalsContact O-N 3.1Å; F49-H61 AromaticContact CE2-CD2 3.68Å; F49-H61 AromaticContact CE2-NE2 3.52Å
50N84.3Confident74.7Confident9 Ų955.6 Ų55.65%0.04835%0.352CS..G310 helixtrans-65.9-9.6175.5-72.4-23.2000113.2M1 G45 D47 F52 F53 R64M1-N50 HydrophobicContact SD-CB 3.72Å; G45-N50 WeakPolarHBondContact CA-ND2 3.38Å; G45-N50 PolarHBondContact O-ND2 3.19Å; D47-N50 WeakPolarHBondContact O-CB 3.37Å; D47-N50 PolarHBondContact O-N 3.34Å; N50-F52 VanDerWaalsContact C-N 3.27Å; N50-F52 PolarHBondContact O-N 3.24Å; N50-F53 CarbonylContact C-O 3.59Å; N50-F53 WeakPolarHBondContact CA-O 3.33Å; N50-R64 PolarHBondContact O-NE 3.5Å; N50-R64 PolarHBondContact O-NH2 2.86Å
51T86.5Confident76Confident12 Ų1246.2 Ų46.27%0.07431%0.312CS..G310 helixtrans-61.1-36.7169.354.20000111.8R2 E3 C4 S48 F49 L242R2-T51 HydrophobicContact CB-CG2 4.26Å; R2-T51 WeakPolarHBondContact O-CB 3.35Å; R2-T51 VanDerWaalsContact O-CG2 3.24Å; R2-T51 WeakPolarHBondContact O-CG2 2.9Å; E3-T51 WeakPolarHBondContact CA-O 3.46Å; C4-T51 PolarHBondContact N-O 3.48Å; S48-T51 WeakPolarHBondContact O-CG2 3.24Å; S48-T51 PolarHBondContact O-OG1 3.37Å; F49-T51 PolarHBondContact O-N 2.95Å; F49-T51 VanDerWaalsContact O-N 3.08Å; T51-L242 WeakPolarHBondContact CB-O 3.41Å; T51-L242 WeakPolarHBondContact CG2-O 3.3Å; T51-L242 PolarHBondContact OG1-O 3.36Å
52F91.3Very high77.5Confident0 Ų043.4 Ų43.40%030%0.295CS..THydrogen-bonded Turntrans-110.5-20.8-177.4-83-117.7000113.4C4 W21 Y24 F49 N50 R64 L136 T239 L242 R243C4-F52 HydrophobicContact CB-CD2 4.48Å; C4-F52 HydrophobicContact CB-CE2 4.01Å; C4-F52 HydrophobicContact CB-CZ 4.29Å; W21-F52 HydrophobicContact CH2-CB 4.06Å; W21-F52 AromaticContact CH2-CD1 3.86Å; W21-F52 HydrophobicContact CH2-CD1 3.86Å; W21-F52 HydrophobicContact CH2-CG 4.44Å; W21-F52 WeakPolarHBondContact CH2-O 3.32Å; W21-F52 HydrophobicContact CZ2-CD1 4.48Å; W21-F52 HydrophobicContact CZ3-CB 4.22Å; W21-F52 HydrophobicContact CZ3-CD1 4.4Å; Y24-F52 HydrophobicContact CD2-CD1 4.31Å; Y24-F52 AromaticContact CE2-CD1 3.9Å; Y24-F52 HydrophobicContact CE2-CD1 3.9Å; Y24-F52 AromaticContact CE2-CE1 3.94Å; Y24-F52 HydrophobicContact CE2-CE1 3.94Å; F49-F52 PolarHBondContact O-N 2.8Å; N50-F52 VanDerWaalsContact C-N 3.27Å; N50-F52 PolarHBondContact O-N 3.24Å; F52-R64 WeakPolarHBondContact O-CB 3.47Å; F52-R64 WeakPolarHBondContact O-CG 3.32Å; F52-R64 PolarHBondContact O-N 2.71Å; F52-L136 HydrophobicContact CE1-CD1 3.82Å; F52-L136 HydrophobicContact CZ-CD1 3.61Å; F52-T239 HydrophobicContact CE1-CG2 4.4Å; F52-T239 HydrophobicContact CZ-CG2 4.01Å; F52-L242 HydrophobicContact CE2-CB 3.85Å; F52-L242 HydrophobicContact CE2-CD1 4.08Å; F52-L242 HydrophobicContact CZ-CD1 4.15Å; F52-R243 HydrophobicContact CB-CG 4.46Å; F52-R243 HydrophobicContact CD1-CG 4.41Å; F52-R243 HydrophobicContact CD2-CG 3.46Å; F52-R243 VanDerWaalsContact CD2-CG 3.46Å; F52-R243 HydrophobicContact CE2-CG 3.67Å; F52-R243 HydrophobicContact CG-CG 3.87Å; F52-R243 HydrophobicContact CZ-CG 4.22Å
53F91.9Very high79.3Confident0 Ų037.6 Ų37.60%027%0.265CS..EExtended strand (participates in β ladder)trans-114.2148.4178.1-63.7-91.2000111.4W21 I30 F49 N50 H61 V62 P63 R64W21-F53 HydrophobicContact CE3-CE1 4.09Å; W21-F53 AromaticContact CE3-CZ 3.87Å; W21-F53 HydrophobicContact CE3-CZ 3.87Å; W21-F53 HydrophobicContact CZ3-CD1 4.44Å; W21-F53 AromaticContact CZ3-CE1 3.9Å; W21-F53 HydrophobicContact CZ3-CE1 3.9Å; W21-F53 HydrophobicContact CZ3-CE2 4.07Å; W21-F53 AromaticContact CZ3-CZ 3.68Å; W21-F53 HydrophobicContact CZ3-CZ 3.68Å; I30-F53 HydrophobicContact CD1-CD1 3.86Å; I30-F53 HydrophobicContact CD1-CD2 3.91Å; I30-F53 HydrophobicContact CD1-CE1 3.67Å; I30-F53 HydrophobicContact CD1-CE2 3.74Å; I30-F53 HydrophobicContact CD1-CG 3.98Å; I30-F53 HydrophobicContact CD1-CZ 3.61Å; F49-F53 PolarHBondContact O-N 3.31Å; F49-F53 VanDerWaalsContact O-N 3.1Å; N50-F53 CarbonylContact C-O 3.59Å; N50-F53 WeakPolarHBondContact CA-O 3.33Å; F53-H61 HydrophobicContact CB-CB 4.34Å; F53-H61 HydrophobicContact CD1-CB 4.19Å; F53-V62 CarbonylContact C-O 3.44Å; F53-V62 WeakPolarHBondContact CA-O 3.12Å; F53-P63 HydrophobicContact CD1-CG 4.2Å; F53-P63 HydrophobicContact CE1-CG 3.89Å; F53-R64 PolarHBondContact O-NE 2.92Å; F53-R64 PolarHBondContact O-NH2 2.8Å
54S90.4Very high81.2Confident17 Ų1735.2 Ų35.212%0.11924%0.235CC..EExtended strand (participates in β ladder)trans-106.3138.216460.20000109.6H61 V62S54-H61 CarbonylContact O-C 3.58Å; S54-H61 WeakPolarHBondContact O-CA 3.34Å; S54-V62 PolarHBondContact N-O 2.94Å; S54-V62 PolarHBondContact O-N 2.85Å; S54-V62 PolarHBondContact OG-O 2.77Å
55E86.9Confident83.3Confident46 Ų4633.5 Ų33.522%0.21522%0.217CC..EExtended strand (participates in β ladder)trans-92.3132.3176.7-159.7-162.2160.800109.9I42 G43I42-E55 WeakPolarHBondContact CA-OE1 3.35Å; G43-E55 WeakPolarHBondContact CA-OE2 3.45Å; G43-E55 VanDerWaalsContact N-CD 3.33Å; G43-E55 PolarHBondContact N-OE1 3.4Å; G43-E55 PolarHBondContact N-OE2 3.12Å; G43-E55 VanDerWaalsContact N-OE2 3.09Å
56T85.8Confident85.4Confident49 Ų4932.1 Ų32.130%0.30120%0.203SC..  trans-92.8157.2169.667.90000110S58 G59 K60 V62T56-S58 PolarHBondContact O-N 3.37Å; T56-S58 PolarHBondContact OG1-OG 2.97Å; T56-G59 PolarHBondContact O-N 2.73Å; T56-K60 PolarHBondContact N-O 2.94Å; T56-K60 WeakPolarHBondContact OG1-CB 3.43Å; T56-K60 PolarHBondContact OG1-N 3.47Å; T56-K60 PolarHBondContact OG1-O 2.99Å; T56-V62 HydrophobicContact CG2-CG2 3.94Å
57G79.3Confident87.4Confident88 Ų8825.1 Ų25.191%0.90717%0.165SC*.THydrogen-bonded Turntrans-61-2.7176.100000115.8
58S81.8Confident88.7Confident82 Ų8221.8 Ų21.857%0.57315%0.147SC*.THydrogen-bonded Turntrans-95.56.217366.90000114Q35 T56 K60Q35-S58 PolarHBondContact NE2-O 2.89Å; T56-S58 PolarHBondContact O-N 3.37Å; T56-S58 PolarHBondContact OG1-OG 2.97Å; S58-K60 PolarHBondContact O-N 2.8Å
59G82.5Confident89.9Confident7 Ų719.5 Ų19.57%0.07213%0.131CC..SBendtrans74.47.7-174.100000113.8T56 H61T56-G59 PolarHBondContact O-N 2.73Å; G59-H61 PolarHBondContact O-ND1 3.14Å
60K89.8Confident90.7Very high52 Ų5218.9 Ų18.923%0.22613%0.129CC..BIsolated β-bridgetrans-83.8127.9176.8-177-173.1178.8-172.80110.3D33 G34 T56 S58 V62 Q85D33-K60 WeakPolarHBondContact O-CE 3.35Å; G34-K60 WeakPolarHBondContact O-CA 3.09Å; T56-K60 PolarHBondContact N-O 2.94Å; T56-K60 WeakPolarHBondContact OG1-CB 3.43Å; T56-K60 PolarHBondContact OG1-N 3.47Å; T56-K60 PolarHBondContact OG1-O 2.99Å; S58-K60 PolarHBondContact O-N 2.8Å; K60-V62 HydrophobicContact CD-CG2 4.31Å; K60-V62 HydrophobicContact CG-CG2 4.31Å; K60-Q85 WeakPolarHBondContact CE-O 3.42Å; K60-Q85 PolarHBondContact NZ-O 3.18Å
61H90.9Very high91Very high1 Ų120.9 Ų20.91%0.00514%0.137CC..EExtended strand (participates in β ladder)trans-92.7119.1175.7-64.673.4000109.6I30 G34 D39 F49 F53 S54 G59I30-H61 HydrophobicContact CD1-CB 4.12Å; I30-H61 HydrophobicContact CG2-CB 4.42Å; G34-H61 PolarHBondContact O-N 2.73Å; D39-H61 IonicContact OD2-CE1 2.82Å; D39-H61 PolarHBondContact OD2-CE1 3.19Å; D39-H61 IonicContact OD2-NE2 3.93Å; D39-H61 PolarHBondContact OD2-NE2 2.62Å; F49-H61 AromaticContact CE2-CD2 3.68Å; F49-H61 AromaticContact CE2-NE2 3.52Å; F53-H61 HydrophobicContact CB-CB 4.34Å; F53-H61 HydrophobicContact CD1-CB 4.19Å; S54-H61 CarbonylContact O-C 3.58Å; S54-H61 WeakPolarHBondContact O-CA 3.34Å; G59-H61 PolarHBondContact O-ND1 3.14Å
62V93.3Very high91.3Very high11 Ų1122.4 Ų22.47%0.06715%0.148CC..EExtended strand (participates in β ladder)trans-111.4127.7-177.5-179.30000109.1F53 S54 T56 K60 H88F53-V62 CarbonylContact C-O 3.44Å; F53-V62 WeakPolarHBondContact CA-O 3.12Å; S54-V62 PolarHBondContact N-O 2.94Å; S54-V62 PolarHBondContact O-N 2.85Å; S54-V62 PolarHBondContact OG-O 2.77Å; T56-V62 HydrophobicContact CG2-CG2 3.94Å; K60-V62 HydrophobicContact CD-CG2 4.31Å; K60-V62 HydrophobicContact CG-CG2 4.31Å; V62-H88 HydrophobicContact CG1-CB 4.26Å
63P95.3Very high91.4Very high0 Ų026.1 Ų26.10%017%0.17CC..EExtended strand (participates in β ladder)trans-56138.5174.3-30.838.7000113.3W21 F53 A65 L86 F87 Q91W21-P63 HydrophobicContact CD2-CB 3.98Å; W21-P63 HydrophobicContact CD2-CG 4.26Å; W21-P63 HydrophobicContact CE3-CB 3.7Å; W21-P63 HydrophobicContact CE3-CG 3.82Å; W21-P63 HydrophobicContact CH2-CB 3.72Å; W21-P63 HydrophobicContact CZ2-CB 3.98Å; W21-P63 HydrophobicContact CZ3-CB 3.57Å; W21-P63 HydrophobicContact CZ3-CG 4.05Å; F53-P63 HydrophobicContact CD1-CG 4.2Å; F53-P63 HydrophobicContact CE1-CG 3.89Å; P63-A65 HydrophobicContact CB-CB 3.94Å; P63-A65 PolarHBondContact O-N 3.1Å; P63-L86 WeakPolarHBondContact CD-O 3.47Å; P63-L86 HydrophobicContact CG-CD1 4.19Å; P63-L86 HydrophobicContact CG-CD2 3.69Å; P63-L86 HydrophobicContact CG-CG 3.6Å; P63-F87 HydrophobicContact CB-CD1 3.89Å; P63-F87 HydrophobicContact CB-CE1 3.79Å; P63-F87 HydrophobicContact CG-CD1 3.8Å; P63-F87 HydrophobicContact CG-CE1 3.65Å; P63-Q91 PolarHBondContact O-NE2 3.49Å; P63-Q91 VanDerWaalsContact O-NE2 3.1Å
64R95.5Very high91.4Very high18 Ų1826.3 Ų26.37%0.06817%0.172CC..  trans-79.961.3165.1-60.8179.8-169-85.9-1.4109.3C4 I5 S6 N50 F52 F53 Q128 C129C4-R64 WeakPolarHBondContact O-CB 3.29Å; I5-R64 WeakPolarHBondContact CA-O 3.42Å; S6-R64 PolarHBondContact N-O 2.94Å; N50-R64 PolarHBondContact O-NE 3.5Å; N50-R64 PolarHBondContact O-NH2 2.86Å; F52-R64 WeakPolarHBondContact O-CB 3.47Å; F52-R64 WeakPolarHBondContact O-CG 3.32Å; F52-R64 PolarHBondContact O-N 2.71Å; F53-R64 PolarHBondContact O-NE 2.92Å; F53-R64 PolarHBondContact O-NH2 2.8Å; R64-Q128 PolarHBondContact NH1-O 3Å; R64-C129 PolarHBondContact NH1-SG 3.03Å
65A96.4Very high91.6Very high0 Ų025.5 Ų25.50%017%0.166CC..EExtended strand (participates in β ladder)trans-121.7147.9-175.800000111.2S6 W21 P63 F67 F87 Q91S6-A65 CarbonylContact O-C 3.58Å; S6-A65 VanDerWaalsContact O-CA 3.22Å; S6-A65 WeakPolarHBondContact O-CA 3.03Å; W21-A65 HydrophobicContact CZ2-CB 3.6Å; P63-A65 HydrophobicContact CB-CB 3.94Å; P63-A65 PolarHBondContact O-N 3.1Å; A65-F67 HydrophobicContact CB-CD2 4.37Å; A65-F67 HydrophobicContact CB-CE2 3.86Å; A65-F87 HydrophobicContact CB-CD1 4.31Å; A65-F87 HydrophobicContact CB-CE1 4.17Å; A65-Q91 VanDerWaalsContact O-CB 3.27Å; A65-Q91 WeakPolarHBondContact O-CB 3.48Å; A65-Q91 VanDerWaalsContact O-CG 3.26Å; A65-Q91 WeakPolarHBondContact O-CG 3.44Å; A65-Q91 PolarHBondContact O-NE2 2.86Å; A65-Q91 PolarHBondContact O-OE1 3.23Å
66I97.2Very high91.9Very high0 Ų026.3 Ų26.30%017%0.172CC..EExtended strand (participates in β ladder)trans-126.9129.3167.2-59.1177.3000107.1S6 M7 H8 V68 I93 R121 T122 L125S6-I66 PolarHBondContact O-N 3.05Å; M7-I66 CarbonylContact C-O 3.53Å; M7-I66 WeakPolarHBondContact CA-O 3.28Å; M7-I66 HydrophobicContact CE-CB 4.5Å; M7-I66 HydrophobicContact CE-CD1 4.19Å; H8-I66 PolarHBondContact N-O 3.08Å; I66-V68 HydrophobicContact CG2-CG2 3.67Å; I66-I93 HydrophobicContact CG2-CD1 3.88Å; I66-R121 HydrophobicContact CD1-CB 4.45Å; I66-T122 HydrophobicContact CD1-CG2 4.49Å; I66-T122 VanDerWaalsContact CD1-OG1 3.25Å; I66-T122 WeakPolarHBondContact CD1-OG1 3.49Å; I66-L125 HydrophobicContact CD1-CD1 3.8Å; I66-L125 HydrophobicContact CG1-CD1 3.54Å
67F97.8Very high92.3Very high0 Ų029.1 Ų29.10%018%0.182CC..EExtended strand (participates in β ladder)trans-109.1126.8172.3-69.9-104.3000107.9H8 A14 W21 A65 I75 F87 Q91 L92 I93H8-F67 HydrophobicContact CB-CD1 3.67Å; H8-F67 HydrophobicContact CB-CE1 3.9Å; H8-F67 HydrophobicContact CB-CG 4.15Å; H8-F67 AromaticContact CD2-CE1 3.98Å; H8-F67 AromaticContact CD2-CE2 3.9Å; H8-F67 AromaticContact CD2-CZ 3.77Å; H8-F67 AromaticContact CG-CE1 3.84Å; A14-F67 HydrophobicContact CB-CD1 3.95Å; A14-F67 HydrophobicContact CB-CE1 4.48Å; W21-F67 AromaticContact CD1-CZ 3.81Å; A65-F67 HydrophobicContact CB-CD2 4.37Å; A65-F67 HydrophobicContact CB-CE2 3.86Å; F67-I75 HydrophobicContact CB-CD1 4.14Å; F67-I75 HydrophobicContact CB-CG1 4.42Å; F67-F87 AromaticContact CE2-CD1 3.85Å; F67-F87 HydrophobicContact CE2-CD1 3.85Å; F67-F87 AromaticContact CE2-CE1 3.49Å; F67-F87 HydrophobicContact CE2-CE1 3.49Å; F67-F87 VanDerWaalsContact CE2-CE1 3.49Å; F67-F87 HydrophobicContact CE2-CE2 4.46Å; F67-F87 HydrophobicContact CE2-CG 4.48Å; F67-F87 AromaticContact CE2-CZ 3.83Å; F67-F87 HydrophobicContact CE2-CZ 3.83Å; F67-F87 HydrophobicContact CZ-CE1 4.03Å; F67-F87 AromaticContact CZ-CZ 3.93Å; F67-F87 HydrophobicContact CZ-CZ 3.93Å; F67-Q91 PolarHBondContact N-O 3.41Å; F67-L92 HydrophobicContact CB-CD2 3.77Å; F67-L92 HydrophobicContact CD2-CD2 3.67Å; F67-L92 HydrophobicContact CG-CD2 3.89Å; F67-I93 PolarHBondContact O-N 3.5Å
68V97Very high92.9Very high0 Ų025.2 Ų25.20%014%0.14CC..EExtended strand (participates in β ladder)trans-130127-179.8-170.20000109.2H8 V9 G10 I66 I93 V118 F149H8-V68 PolarHBondContact O-N 3.18Å; V9-V68 WeakPolarHBondContact CA-O 3.46Å; G10-V68 PolarHBondContact N-O 3.25Å; I66-V68 HydrophobicContact CG2-CG2 3.67Å; V68-I93 WeakPolarHBondContact CA-O 3.43Å; V68-I93 HydrophobicContact CG2-CB 4.4Å; V68-I93 HydrophobicContact CG2-CD1 4.36Å; V68-V118 HydrophobicContact CB-CG2 4.42Å; V68-V118 HydrophobicContact CG1-CG2 3.72Å; V68-V118 HydrophobicContact CG2-CB 4.49Å; V68-V118 HydrophobicContact CG2-CG1 3.86Å; V68-V118 HydrophobicContact CG2-CG2 3.76Å; V68-F149 HydrophobicContact CB-CE1 4.25Å; V68-F149 HydrophobicContact CG1-CD1 4.26Å; V68-F149 HydrophobicContact CG1-CE1 3.65Å; V68-F149 HydrophobicContact CG1-CZ 4.06Å
69D96.8Very high93.4Very high4 Ų425.6 Ų25.62%0.02113%0.129CC..EExtended strand (participates in β ladder)trans-142.5148.6167.5-156.5-12.3000109.6Q11 E71 I75 I93 T94 G95Q11-D69 PolarHBondContact N-OD2 2.99Å; D69-E71 VanDerWaalsContact C-N 3.26Å; D69-E71 WeakPolarHBondContact CB-O 3.1Å; D69-I75 HydrophobicContact CB-CD1 3.63Å; D69-I75 HydrophobicContact CB-CG1 4.08Å; D69-I75 VanDerWaalsContact N-CD1 3.3Å; D69-I93 PolarHBondContact N-O 3.25Å; D69-I93 VanDerWaalsContact N-O 3.11Å; D69-T94 CarbonylContact O-C 2.98Å; D69-T94 VanDerWaalsContact O-CA 3.3Å; D69-T94 WeakPolarHBondContact O-CA 3.44Å; D69-G95 PolarHBondContact O-N 3.18Å
70L94.3Very high94Very high1 Ų130.4 Ų30.41%0.00516%0.157CC..SBendtrans-79.6-16.7179.4-62.7179.5000111.4G95 K96 E97 A99 V110 I114 T145L70-G95 CarbonylContact O-C 3.49Å; L70-G95 WeakPolarHBondContact O-CA 3.36Å; L70-K96 PolarHBondContact O-N 2.82Å; L70-K96 VanDerWaalsContact O-N 3.16Å; L70-E97 CarbonylContact C-O 3.53Å; L70-E97 WeakPolarHBondContact CB-O 3.4Å; L70-E97 CarbonylContact O-C 3.54Å; L70-E97 PolarHBondContact O-N 3.28Å; L70-A99 HydrophobicContact CD1-CB 3.97Å; L70-V110 HydrophobicContact CB-CG1 4.4Å; L70-V110 HydrophobicContact CD1-CB 4.31Å; L70-V110 HydrophobicContact CD1-CG1 4.01Å; L70-V110 HydrophobicContact CD2-CG1 4.15Å; L70-V110 HydrophobicContact CG-CG1 4.41Å; L70-I114 HydrophobicContact CD2-CG2 3.63Å; L70-T145 HydrophobicContact CB-CG2 4.46Å; L70-T145 HydrophobicContact CD1-CG2 4.1Å; L70-T145 HydrophobicContact CG-CG2 3.79Å
71E91.3Very high94Very high50 Ų5029.4 Ų29.423%0.23416%0.161CC..SBendtrans-114.1154.316757.9158.7-148.400112.9D69 D98D69-E71 VanDerWaalsContact C-N 3.26Å; D69-E71 WeakPolarHBondContact CB-O 3.1Å; E71-D98 HydrophobicContact CB-CB 4.06Å; E71-D98 HydrophobicContact CG-CB 4.18Å
72P92.8Very high94Very high45 Ų4535.9 Ų35.929%0.29219%0.193SC..SBendtrans-81.7-20.9-174.731.6-36.1000114.6V74 I75 D76 T94P72-V74 PolarHBondContact O-N 3.29Å; P72-I75 PolarHBondContact O-N 2.93Å; P72-D76 WeakPolarHBondContact O-CB 3.46Å; P72-D76 PolarHBondContact O-N 2.8Å; P72-T94 HydrophobicContact CB-CG2 4.25Å
73T92.9Very high94Very high77 Ų7736.7 Ų36.747%0.47220%0.196SC..Hα-helixtrans-50.5-55.1-164.7-49.20000113.3D76 E77T73-D76 PolarHBondContact O-N 2.88Å; T73-E77 PolarHBondContact O-N 3.42Å
74V92.2Very high93.8Very high4 Ų444 Ų442%0.02422%0.223CC..Hα-helixtrans-73.6-35.1-173.3-1770000111.7Q11 A14 Q15 P72 E77 V78Q11-V74 HydrophobicContact CB-CG2 3.86Å; Q11-V74 HydrophobicContact CG-CG2 3.69Å; A14-V74 HydrophobicContact CB-CG1 3.79Å; Q15-V74 HydrophobicContact CG-CG1 3.84Å; P72-V74 PolarHBondContact O-N 3.29Å; V74-E77 WeakPolarHBondContact O-CB 3.4Å; V74-E77 PolarHBondContact O-N 2.85Å; V74-V78 PolarHBondContact O-N 2.84Å
75I94.2Very high93.7Very high0 Ų048.1 Ų48.10%024%0.243CC..Hα-helixtrans-75.1-30.4178-66.5-178.9000111F67 D69 P72 E77 V78 R79 L92 I93 T94F67-I75 HydrophobicContact CB-CD1 4.14Å; F67-I75 HydrophobicContact CB-CG1 4.42Å; D69-I75 HydrophobicContact CB-CD1 3.63Å; D69-I75 HydrophobicContact CB-CG1 4.08Å; D69-I75 VanDerWaalsContact N-CD1 3.3Å; P72-I75 PolarHBondContact O-N 2.93Å; I75-E77 VanDerWaalsContact C-N 3.26Å; I75-E77 PolarHBondContact O-N 3.3Å; I75-V78 WeakPolarHBondContact O-CA 3.46Å; I75-V78 VanDerWaalsContact O-CB 3.29Å; I75-V78 WeakPolarHBondContact O-CB 3.4Å; I75-V78 PolarHBondContact O-N 3.17Å; I75-R79 HydrophobicContact CG2-CG 4.49Å; I75-R79 WeakPolarHBondContact O-CG 3.47Å; I75-R79 PolarHBondContact O-N 3.18Å; I75-L92 HydrophobicContact CG2-CB 3.76Å; I75-L92 HydrophobicContact CG2-CD2 4.49Å; I75-I93 WeakPolarHBondContact CD1-O 3.41Å; I75-T94 HydrophobicContact CB-CG2 3.48Å; I75-T94 VanDerWaalsContact CB-CG2 3.48Å; I75-T94 HydrophobicContact CD1-CG2 3.73Å; I75-T94 HydrophobicContact CG1-CG2 4.1Å; I75-T94 HydrophobicContact CG2-CG2 3.55Å
76D93.7Very high93.5Very high64 Ų6448.1 Ų48.134%0.34224%0.243SC..Hα-helixtrans-65.4-30.9173.6-77.5-14.1000112P72 T73 V78 R79 T80P72-D76 WeakPolarHBondContact O-CB 3.46Å; P72-D76 PolarHBondContact O-N 2.8Å; T73-D76 PolarHBondContact O-N 2.88Å; D76-V78 VanDerWaalsContact C-N 3.31Å; D76-V78 PolarHBondContact O-N 3.19Å; D76-R79 PolarHBondContact O-N 3.02Å; D76-R79 WeakPolarHBondContact OD1-CD 3.38Å; D76-R79 IonicContact OD1-CZ 2.77Å; D76-R79 IonicContact OD1-NE 3.17Å; D76-R79 IonicContact OD1-NH1 3.94Å; D76-R79 PolarHBondContact OD1-NH1 3.38Å; D76-T80 WeakPolarHBondContact O-CB 3.47Å; D76-T80 WeakPolarHBondContact O-CG2 3.41Å; D76-T80 PolarHBondContact O-N 2.89Å; D76-T80 PolarHBondContact O-OG1 3.26Å
77E93.3Very high93.3Very high108 Ų10848.4 Ų48.451%0.50524%0.244SC..Hα-helixtrans-62-38.5168-64.3-179.3172.300111.5T73 V74 I75 T80 G81T73-E77 PolarHBondContact O-N 3.42Å; V74-E77 WeakPolarHBondContact O-CB 3.4Å; V74-E77 PolarHBondContact O-N 2.85Å; I75-E77 VanDerWaalsContact C-N 3.26Å; I75-E77 PolarHBondContact O-N 3.3Å; E77-T80 PolarHBondContact O-N 3.45Å; E77-G81 WeakPolarHBondContact O-CA 3.47Å; E77-G81 PolarHBondContact O-N 2.94Å
78V92.4Very high93.1Very high6 Ų652.5 Ų52.54%0.03626%0.263CS..Hα-helixtrans-65.3-42.4174-171.50000111.2N18 V74 I75 D76 T80 F87 L92N18-V78 VanDerWaalsContact ND2-CG2 3.33Å; N18-V78 WeakPolarHBondContact ND2-CG2 3.12Å; N18-V78 VanDerWaalsContact OD1-CG2 3.25Å; N18-V78 WeakPolarHBondContact OD1-CG2 3.23Å; V74-V78 PolarHBondContact O-N 2.84Å; I75-V78 WeakPolarHBondContact O-CA 3.46Å; I75-V78 VanDerWaalsContact O-CB 3.29Å; I75-V78 WeakPolarHBondContact O-CB 3.4Å; I75-V78 PolarHBondContact O-N 3.17Å; D76-V78 VanDerWaalsContact C-N 3.31Å; D76-V78 PolarHBondContact O-N 3.19Å; V78-T80 PolarHBondContact O-N 2.63Å; V78-F87 HydrophobicContact CG1-CD2 3.73Å; V78-F87 HydrophobicContact CG1-CE2 3.79Å; V78-L92 HydrophobicContact CG1-CD1 4.36Å; V78-L92 HydrophobicContact CG1-CD2 4.17Å
79R92.8Very high92.8Very high89 Ų8957.2 Ų57.234%0.33629%0.294SS..Hα-helixtrans-67.1-23.6179.1-68.2172179.6162.10.3113.2I75 D76 R84 L92 T94I75-R79 HydrophobicContact CG2-CG 4.49Å; I75-R79 WeakPolarHBondContact O-CG 3.47Å; I75-R79 PolarHBondContact O-N 3.18Å; D76-R79 PolarHBondContact O-N 3.02Å; D76-R79 WeakPolarHBondContact OD1-CD 3.38Å; D76-R79 IonicContact OD1-CZ 2.77Å; D76-R79 IonicContact OD1-NE 3.17Å; D76-R79 IonicContact OD1-NH1 3.94Å; D76-R79 PolarHBondContact OD1-NH1 3.38Å; R79-R84 WeakPolarHBondContact O-CB 3.38Å; R79-L92 HydrophobicContact CG-CD1 3.58Å; R79-L92 PolarHBondContact NH2-O 2.88Å; R79-T94 PolarHBondContact NH2-OG1 3.01Å
80T93.4Very high92.6Very high108 Ų10861.4 Ų61.466%0.66331%0.313SS*.Hα-helixtrans-110.4-12.9-177.457.20000113.8D76 E77 V78D76-T80 WeakPolarHBondContact O-CB 3.47Å; D76-T80 WeakPolarHBondContact O-CG2 3.41Å; D76-T80 PolarHBondContact O-N 2.89Å; D76-T80 PolarHBondContact O-OG1 3.26Å; E77-T80 PolarHBondContact O-N 3.45Å; V78-T80 PolarHBondContact O-N 2.63Å
81G91.3Very high92.5Very high31 Ų3161.7 Ų61.732%0.3232%0.315SS..SBendtrans-72.6-174.4-177.800000114.8E77 Y83 R84E77-G81 WeakPolarHBondContact O-CA 3.47Å; E77-G81 PolarHBondContact O-N 2.94Å; G81-Y83 VanDerWaalsContact C-N 3.27Å; G81-Y83 PolarHBondContact O-N 2.76Å; G81-R84 VanDerWaalsContact O-CB 3.29Å; G81-R84 WeakPolarHBondContact O-CB 3.36Å; G81-R84 WeakPolarHBondContact O-CG 3.4Å; G81-R84 PolarHBondContact O-N 2.92Å
82M90.3Very high92.8Very high137 Ų13759.8 Ų59.868%0.67531%0.306SS*.THydrogen-bonded Turntrans-58.5-38.5-178.1-180167.8170.900112.7P32 R84P32-M82 HydrophobicContact CB-CE 4.47Å; P32-M82 HydrophobicContact CB-CG 4.16Å; P32-M82 HydrophobicContact CG-CE 3.49Å; P32-M82 VanDerWaalsContact CG-CE 3.49Å; P32-M82 HydrophobicContact CG-CG 4.17Å; M82-R84 VanDerWaalsContact C-N 3.34Å; M82-R84 PolarHBondContact O-N 3.46Å
83Y92.4Very high92.9Very high29 Ų2958.1 Ų58.111%0.11430%0.295CS..THydrogen-bonded Turntrans-93.219.8-178.8-67.4-82.1000113.8E22 C25 P32 G81 Q85 L86E22-Y83 HydrophobicContact CB-CE2 3.78Å; E22-Y83 HydrophobicContact CG-CE2 3.81Å; C25-Y83 HydrophobicContact CB-CE1 3.99Å; P32-Y83 HydrophobicContact CB-CD1 3.82Å; P32-Y83 HydrophobicContact CB-CE1 3.88Å; P32-Y83 HydrophobicContact CB-CG 4.48Å; P32-Y83 HydrophobicContact CG-CD1 4.42Å; P32-Y83 HydrophobicContact CG-CE1 3.97Å; G81-Y83 VanDerWaalsContact C-N 3.27Å; G81-Y83 PolarHBondContact O-N 2.76Å; Y83-Q85 PolarHBondContact O-N 3.49Å; Y83-L86 HydrophobicContact CD1-CB 4.3Å; Y83-L86 HydrophobicContact CD1-CD2 3.78Å; Y83-L86 HydrophobicContact CG-CD2 4.41Å; Y83-L86 VanDerWaalsContact O-CB 3.28Å; Y83-L86 WeakPolarHBondContact O-CB 3.39Å; Y83-L86 PolarHBondContact O-N 3.3Å
84R92.3Very high93.1Very high153 Ų15356.3 Ų56.358%0.57728%0.284SS*.THydrogen-bonded Turntrans-54.8-26.318065.2-176.9-175168.6-0.3114.9R79 G81 M82R79-R84 WeakPolarHBondContact O-CB 3.38Å; G81-R84 VanDerWaalsContact O-CB 3.29Å; G81-R84 WeakPolarHBondContact O-CB 3.36Å; G81-R84 WeakPolarHBondContact O-CG 3.4Å; G81-R84 PolarHBondContact O-N 2.92Å; M82-R84 VanDerWaalsContact C-N 3.34Å; M82-R84 PolarHBondContact O-N 3.46Å
85Q92.3Very high93.1Very high104 Ų10457 Ų5749%0.48629%0.291SS..THydrogen-bonded Turntrans-91.4-11.5179.6-70-176.9-1.500112.4K60 Y83K60-Q85 WeakPolarHBondContact CE-O 3.42Å; K60-Q85 PolarHBondContact NZ-O 3.18Å; Y83-Q85 PolarHBondContact O-N 3.49Å
86L93.2Very high92.9Very high0 Ų067 Ų670%033%0.334CS..THydrogen-bonded Turntrans-73.4-49.4-174.4-175.467.7000111.7C25 I30 P63 Y83C25-L86 WeakPolarHBondContact SG-CD2 3.37Å; I30-L86 HydrophobicContact CG2-CD1 4.32Å; P63-L86 WeakPolarHBondContact CD-O 3.47Å; P63-L86 HydrophobicContact CG-CD1 4.19Å; P63-L86 HydrophobicContact CG-CD2 3.69Å; P63-L86 HydrophobicContact CG-CG 3.6Å; Y83-L86 HydrophobicContact CD1-CB 4.3Å; Y83-L86 HydrophobicContact CD1-CD2 3.78Å; Y83-L86 HydrophobicContact CG-CD2 4.41Å; Y83-L86 VanDerWaalsContact O-CB 3.28Å; Y83-L86 WeakPolarHBondContact O-CB 3.39Å; Y83-L86 PolarHBondContact O-N 3.3Å
87F93.6Very high92.7Very high7 Ų769.2 Ų69.23%0.03134%0.343CS..SBendtrans-80.9151.1-175-56.4-74.7000112.6W21 P63 A65 F67 V78 L92W21-F87 HydrophobicContact CB-CE1 4.34Å; W21-F87 HydrophobicContact CB-CZ 3.88Å; W21-F87 AromaticContact CD1-CE1 3.9Å; W21-F87 AromaticContact CD1-CZ 3.97Å; W21-F87 HydrophobicContact CD2-CE1 4.29Å; W21-F87 AromaticContact CG-CE1 3.93Å; W21-F87 HydrophobicContact CG-CE1 3.93Å; W21-F87 AromaticContact CG-CZ 3.91Å; W21-F87 HydrophobicContact CG-CZ 3.91Å; P63-F87 HydrophobicContact CB-CD1 3.89Å; P63-F87 HydrophobicContact CB-CE1 3.79Å; P63-F87 HydrophobicContact CG-CD1 3.8Å; P63-F87 HydrophobicContact CG-CE1 3.65Å; A65-F87 HydrophobicContact CB-CD1 4.31Å; A65-F87 HydrophobicContact CB-CE1 4.17Å; F67-F87 AromaticContact CE2-CD1 3.85Å; F67-F87 HydrophobicContact CE2-CD1 3.85Å; F67-F87 AromaticContact CE2-CE1 3.49Å; F67-F87 HydrophobicContact CE2-CE1 3.49Å; F67-F87 VanDerWaalsContact CE2-CE1 3.49Å; F67-F87 HydrophobicContact CE2-CE2 4.46Å; F67-F87 HydrophobicContact CE2-CG 4.48Å; F67-F87 AromaticContact CE2-CZ 3.83Å; F67-F87 HydrophobicContact CE2-CZ 3.83Å; F67-F87 HydrophobicContact CZ-CE1 4.03Å; F67-F87 AromaticContact CZ-CZ 3.93Å; F67-F87 HydrophobicContact CZ-CZ 3.93Å; V78-F87 HydrophobicContact CG1-CD2 3.73Å; V78-F87 HydrophobicContact CG1-CE2 3.79Å; F87-L92 HydrophobicContact CB-CD1 4.36Å; F87-L92 HydrophobicContact CB-CD2 4.19Å; F87-L92 HydrophobicContact CB-CG 4.34Å; F87-L92 HydrophobicContact CG-CD2 4.41Å
88H92.3Very high92.6Very high85 Ų8567.1 Ų67.139%0.39434%0.335SS..  trans-73.2129.8169.9-165.3-90000109V62 E90 Q91V62-H88 HydrophobicContact CG1-CB 4.26Å; H88-E90 IonicContact CE1-OE2 2.94Å; H88-E90 PolarHBondContact CE1-OE2 2.63Å; H88-E90 WeakPolarHBondContact ND1-CB 3.13Å; H88-E90 PolarHBondContact ND1-N 3.03Å; H88-E90 IonicContact ND1-OE2 3.19Å; H88-E90 PolarHBondContact O-N 3.33Å; H88-Q91 HydrophobicContact CB-CB 4.46Å; H88-Q91 HydrophobicContact CB-CG 3.89Å; H88-Q91 VanDerWaalsContact CB-OE1 3.32Å; H88-Q91 VanDerWaalsContact O-CB 3.3Å; H88-Q91 WeakPolarHBondContact O-CB 3.37Å; H88-Q91 PolarHBondContact O-N 2.91Å
89P91.5Very high92.5Very high100 Ų10066.9 Ų66.965%0.64933%0.334SS*.G310 helixtrans-56.4-30.8-175.9-27.634.8000113.9Q91 L92P89-Q91 VanDerWaalsContact C-N 3.27Å; P89-Q91 PolarHBondContact O-N 2.97Å; P89-L92 PolarHBondContact O-N 3.18Å
90E92.1Very high92.5Very high91 Ų9165.4 Ų65.443%0.42534%0.341SS..G310 helixtrans-75.6-12.1178.1-57.2-167.4117.800114.8H88 L92 R121H88-E90 IonicContact CE1-OE2 2.94Å; H88-E90 PolarHBondContact CE1-OE2 2.63Å; H88-E90 WeakPolarHBondContact ND1-CB 3.13Å; H88-E90 PolarHBondContact ND1-N 3.03Å; H88-E90 IonicContact ND1-OE2 3.19Å; H88-E90 PolarHBondContact O-N 3.33Å; E90-L92 VanDerWaalsContact C-N 3.33Å; E90-R121 IonicContact OE1-CZ 3.71Å; E90-R121 IonicContact OE1-NH1 2.82Å; E90-R121 PolarHBondContact OE1-NH1 2.79Å; E90-R121 IonicContact OE1-NH2 2.63Å; E90-R121 PolarHBondContact OE1-NH2 2.89Å; E90-R121 IonicContact OE2-CZ 2.73Å; E90-R121 IonicContact OE2-NH1 2.94Å; E90-R121 PolarHBondContact OE2-NH1 2.72Å
91Q93.2Very high92.5Very high8 Ų863.3 Ų63.34%0.03733%0.325CS..G310 helixtrans-84.3-11.2172.1-68.9167.8-28.400112.1P63 A65 F67 H88 P89 L125P63-Q91 PolarHBondContact O-NE2 3.49Å; P63-Q91 VanDerWaalsContact O-NE2 3.1Å; A65-Q91 VanDerWaalsContact O-CB 3.27Å; A65-Q91 WeakPolarHBondContact O-CB 3.48Å; A65-Q91 VanDerWaalsContact O-CG 3.26Å; A65-Q91 WeakPolarHBondContact O-CG 3.44Å; A65-Q91 PolarHBondContact O-NE2 2.86Å; A65-Q91 PolarHBondContact O-OE1 3.23Å; F67-Q91 PolarHBondContact N-O 3.41Å; H88-Q91 HydrophobicContact CB-CB 4.46Å; H88-Q91 HydrophobicContact CB-CG 3.89Å; H88-Q91 VanDerWaalsContact CB-OE1 3.32Å; H88-Q91 VanDerWaalsContact O-CB 3.3Å; H88-Q91 WeakPolarHBondContact O-CB 3.37Å; H88-Q91 PolarHBondContact O-N 2.91Å; P89-Q91 VanDerWaalsContact C-N 3.27Å; P89-Q91 PolarHBondContact O-N 2.97Å; Q91-L125 HydrophobicContact CG-CD1 4.26Å; Q91-L125 VanDerWaalsContact NE2-CD2 3.28Å
92L96Very high92.7Very high10 Ų1062.3 Ų62.35%0.05231%0.313CS..EExtended strand (participates in β ladder)trans-99.288.4180-58.4-177.6000109.1F67 I75 V78 R79 F87 P89 E90F67-L92 HydrophobicContact CB-CD2 3.77Å; F67-L92 HydrophobicContact CD2-CD2 3.67Å; F67-L92 HydrophobicContact CG-CD2 3.89Å; I75-L92 HydrophobicContact CG2-CB 3.76Å; I75-L92 HydrophobicContact CG2-CD2 4.49Å; V78-L92 HydrophobicContact CG1-CD1 4.36Å; V78-L92 HydrophobicContact CG1-CD2 4.17Å; R79-L92 HydrophobicContact CG-CD1 3.58Å; R79-L92 PolarHBondContact NH2-O 2.88Å; F87-L92 HydrophobicContact CB-CD1 4.36Å; F87-L92 HydrophobicContact CB-CD2 4.19Å; F87-L92 HydrophobicContact CB-CG 4.34Å; F87-L92 HydrophobicContact CG-CD2 4.41Å; P89-L92 PolarHBondContact O-N 3.18Å; E90-L92 VanDerWaalsContact C-N 3.33Å
93I96.4Very high93Very high9 Ų955.8 Ų55.85%0.04628%0.281CS..EExtended strand (participates in β ladder)trans-100.2123-169.2-54.8170.5000109.4I66 F67 V68 D69 I75 I114 L117 V118 R121I66-I93 HydrophobicContact CG2-CD1 3.88Å; F67-I93 PolarHBondContact O-N 3.5Å; V68-I93 WeakPolarHBondContact CA-O 3.43Å; V68-I93 HydrophobicContact CG2-CB 4.4Å; V68-I93 HydrophobicContact CG2-CD1 4.36Å; D69-I93 PolarHBondContact N-O 3.25Å; D69-I93 VanDerWaalsContact N-O 3.11Å; I75-I93 WeakPolarHBondContact CD1-O 3.41Å; I93-I114 HydrophobicContact CG2-CD1 3.67Å; I93-I114 HydrophobicContact CG2-CG1 3.92Å; I93-L117 HydrophobicContact CG2-CD2 3.85Å; I93-L117 HydrophobicContact CG2-CG 4.32Å; I93-V118 HydrophobicContact CD1-CB 4.32Å; I93-V118 HydrophobicContact CD1-CG2 3.84Å; I93-V118 HydrophobicContact CG2-CG2 4.06Å; I93-R121 HydrophobicContact CD1-CB 3.88Å; I93-R121 HydrophobicContact CD1-CG 3.58Å; I93-R121 HydrophobicContact CG1-CG 4.3Å
94T95.8Very high93.2Very high40 Ų4054.4 Ų54.425%0.24528%0.275CS..EExtended strand (participates in β ladder)trans-127.2132.5-176.649.80000110.7D69 P72 I75 R79D69-T94 CarbonylContact O-C 2.98Å; D69-T94 VanDerWaalsContact O-CA 3.3Å; D69-T94 WeakPolarHBondContact O-CA 3.44Å; P72-T94 HydrophobicContact CB-CG2 4.25Å; I75-T94 HydrophobicContact CB-CG2 3.48Å; I75-T94 VanDerWaalsContact CB-CG2 3.48Å; I75-T94 HydrophobicContact CD1-CG2 3.73Å; I75-T94 HydrophobicContact CG1-CG2 4.1Å; I75-T94 HydrophobicContact CG2-CG2 3.55Å; R79-T94 PolarHBondContact NH2-OG1 3.01Å
95G92.8Very high93.4Very high17 Ų1748.7 Ų48.718%0.17525%0.254CS..  trans-78.2-169.5164.800000112.4D69 L70D69-G95 PolarHBondContact O-N 3.18Å; L70-G95 CarbonylContact O-C 3.49Å; L70-G95 WeakPolarHBondContact O-CA 3.36Å
96K89.6Confident93.6Very high210 Ų21043.8 Ų43.891%0.91323%0.23SC*.SBendtrans-112.9-23.4176.3-67.2-178.7-178.6173.80113.4L70L70-K96 PolarHBondContact O-N 2.82Å; L70-K96 VanDerWaalsContact O-N 3.16Å
97E89.9Confident93.7Very high112 Ų11244.2 Ų44.252%0.52323%0.232SC..SBendtrans-134.2131.1-170.8-168.4176.2169.100107.4L70 R105 V110L70-E97 CarbonylContact C-O 3.53Å; L70-E97 WeakPolarHBondContact CB-O 3.4Å; L70-E97 CarbonylContact O-C 3.54Å; L70-E97 PolarHBondContact O-N 3.28Å; E97-R105 IonicContact OE1-CZ 2.65Å; E97-R105 IonicContact OE1-NH1 3.77Å; E97-R105 IonicContact OE1-NH2 3.62Å; E97-R105 PolarHBondContact OE1-NH2 2.75Å; E97-V110 WeakPolarHBondContact O-CG1 3.35Å
98D90.4Very high93.8Very high64 Ų6446.4 Ų46.434%0.34224%0.241SC..  trans-79.2169.3-177.275.7-27.7000112E71 A100 R105E71-D98 HydrophobicContact CB-CB 4.06Å; E71-D98 HydrophobicContact CG-CB 4.18Å; D98-A100 VanDerWaalsContact CG-N 3.31Å; D98-A100 PolarHBondContact O-N 3.26Å; D98-A100 WeakPolarHBondContact OD2-CA 3.41Å; D98-A100 PolarHBondContact OD2-N 3.36Å; D98-R105 PolarHBondContact O-NE 2.96Å; D98-R105 PolarHBondContact O-NH2 2.96Å; D98-R105 VanDerWaalsContact O-NH2 3.13Å
99A91.1Very high93.9Very high1 Ų144.6 Ų44.61%0.00824%0.236CC..  trans-79.4-3.1171.400000113L70 N101 N102 R105 G144L70-A99 HydrophobicContact CD1-CB 3.97Å; A99-N101 VanDerWaalsContact C-N 3.26Å; A99-N101 PolarHBondContact O-N 2.91Å; A99-N101 VanDerWaalsContact O-N 3.12Å; A99-N102 WeakPolarHBondContact O-CA 3.5Å; A99-N102 VanDerWaalsContact O-CB 3.29Å; A99-N102 WeakPolarHBondContact O-CB 3.36Å; A99-N102 PolarHBondContact O-N 3.18Å; A99-R105 HydrophobicContact CB-CB 4.06Å; A99-G144 VanDerWaalsContact CB-C 3.42Å
100A92.3Very high94Very high58 Ų5840.7 Ų40.748%0.47921%0.21SC..THydrogen-bonded Turntrans47.941.8176.700000114.5D98 N102D98-A100 VanDerWaalsContact CG-N 3.31Å; D98-A100 PolarHBondContact O-N 3.26Å; D98-A100 WeakPolarHBondContact OD2-CA 3.41Å; D98-A100 PolarHBondContact OD2-N 3.36Å; A100-N102 PolarHBondContact O-N 3.47Å
101N93.7Very high94.1Very high63 Ų6336.3 Ų36.334%0.33719%0.19SC..THydrogen-bonded Turntrans58.126.4-173.9-59.9-51.8000115.2A99 A180 V182 N186A99-N101 VanDerWaalsContact C-N 3.26Å; A99-N101 PolarHBondContact O-N 2.91Å; A99-N101 VanDerWaalsContact O-N 3.12Å; N101-A180 HydrophobicContact CB-CB 3.78Å; N101-V182 HydrophobicContact CB-CG2 4.3Å; N101-V182 WeakPolarHBondContact O-CG2 3.39Å; N101-N186 PolarHBondContact O-ND2 3.46Å
102N95.6Very high94.1Very high10 Ų1041.1 Ų41.15%0.05321%0.211CC..  trans-114.7115.2178.5-174.4-17.5000110.6A99 A100 A104 R105 G106 W407 Y408A99-N102 WeakPolarHBondContact O-CA 3.5Å; A99-N102 VanDerWaalsContact O-CB 3.29Å; A99-N102 WeakPolarHBondContact O-CB 3.36Å; A99-N102 PolarHBondContact O-N 3.18Å; A100-N102 PolarHBondContact O-N 3.47Å; N102-A104 VanDerWaalsContact C-N 3.27Å; N102-A104 PolarHBondContact O-N 2.86Å; N102-A104 WeakPolarHBondContact OD1-CB 3.39Å; N102-A104 PolarHBondContact OD1-N 3.31Å; N102-R105 HydrophobicContact CB-CB 4.31Å; N102-R105 HydrophobicContact CB-CG 4.1Å; N102-R105 PolarHBondContact O-N 3.37Å; N102-G106 PolarHBondContact O-N 3.47Å; N102-W407 PolarHBondContact ND2-O 3.49Å; N102-Y408 VanDerWaalsContact OD1-CD1 3.28Å; N102-Y408 WeakPolarHBondContact OD1-CD1 3.38Å
103Y97Very high94Very high1 Ų148.7 Ų48.70%0.00425%0.246CC..Hα-helixtrans-50.5-46.4174.6175.3-91.9000112.3R105 G106 H107 Y108 G148 S151 N186 L189 T193 M413Y103-R105 PolarHBondContact O-N 2.94Å; Y103-G106 PolarHBondContact O-N 3.44Å; Y103-H107 HydrophobicContact CD1-CB 4.31Å; Y103-H107 HydrophobicContact CE1-CB 3.85Å; Y103-H107 AromaticContact CZ-CG 3.95Å; Y103-H107 AromaticContact CZ-ND1 3.92Å; Y103-H107 WeakPolarHBondContact O-CB 3.33Å; Y103-H107 PolarHBondContact O-N 2.89Å; Y103-H107 PolarHBondContact OH-ND1 3.33Å; Y103-Y108 HydrophobicContact CE1-CE2 4.42Å; Y103-G148 VanDerWaalsContact CE2-CA 3.45Å; Y103-S151 WeakPolarHBondContact OH-CB 3.34Å; Y103-N186 WeakPolarHBondContact CB-OD1 3.3Å; Y103-N186 PolarHBondContact N-OD1 3.32Å; Y103-N186 VanDerWaalsContact N-OD1 3.14Å; Y103-L189 HydrophobicContact CD1-CB 3.92Å; Y103-L189 HydrophobicContact CD1-CD1 3.76Å; Y103-L189 HydrophobicContact CD1-CG 4.42Å; Y103-L189 HydrophobicContact CD2-CB 3.85Å; Y103-L189 HydrophobicContact CE1-CB 4.04Å; Y103-L189 HydrophobicContact CE1-CD1 4.5Å; Y103-L189 HydrophobicContact CE2-CB 3.97Å; Y103-L189 HydrophobicContact CG-CB 3.84Å; Y103-L189 HydrophobicContact CG-CD1 3.9Å; Y103-T193 WeakPolarHBondContact OH-CG2 3.43Å; Y103-T193 PolarHBondContact OH-OG1 3.34Å; Y103-M413 HydrophobicContact CD1-SD 4.27Å
104A96.8Very high94Very high0 Ų049 Ų490%025%0.247CC..Hα-helixtrans-63.1-32.9-17500000112N102 H107 Y108 T109 Y408 E411 M413N102-A104 VanDerWaalsContact C-N 3.27Å; N102-A104 PolarHBondContact O-N 2.86Å; N102-A104 WeakPolarHBondContact OD1-CB 3.39Å; N102-A104 PolarHBondContact OD1-N 3.31Å; A104-H107 PolarHBondContact O-N 2.73Å; A104-Y108 HydrophobicContact CB-CD2 4.21Å; A104-Y108 WeakPolarHBondContact O-CA 3.48Å; A104-Y108 WeakPolarHBondContact O-CB 3.24Å; A104-Y108 PolarHBondContact O-N 2.83Å; A104-T109 PolarHBondContact O-N 3.3Å; A104-Y408 HydrophobicContact CB-CD1 4.22Å; A104-E411 HydrophobicContact CB-CB 3.75Å; A104-M413 HydrophobicContact CB-CB 3.79Å; A104-M413 HydrophobicContact CB-SD 4.21Å
105R96.3Very high94Very high33 Ų3347.5 Ų47.513%0.12524%0.238CC..Hα-helixtrans-66.7-45.2173.1-71.1-178.861.994-2.1112.4E97 D98 A99 N102 Y103 H107 T109 V110 G111 E411E97-R105 IonicContact OE1-CZ 2.65Å; E97-R105 IonicContact OE1-NH1 3.77Å; E97-R105 IonicContact OE1-NH2 3.62Å; E97-R105 PolarHBondContact OE1-NH2 2.75Å; D98-R105 PolarHBondContact O-NE 2.96Å; D98-R105 PolarHBondContact O-NH2 2.96Å; D98-R105 VanDerWaalsContact O-NH2 3.13Å; A99-R105 HydrophobicContact CB-CB 4.06Å; N102-R105 HydrophobicContact CB-CB 4.31Å; N102-R105 HydrophobicContact CB-CG 4.1Å; N102-R105 PolarHBondContact O-N 3.37Å; Y103-R105 PolarHBondContact O-N 2.94Å; R105-H107 VanDerWaalsContact C-N 3.27Å; R105-H107 PolarHBondContact O-N 2.83Å; R105-T109 WeakPolarHBondContact CA-OG1 3.42Å; R105-V110 HydrophobicContact CB-CG2 4.36Å; R105-V110 PolarHBondContact O-N 3.34Å; R105-G111 PolarHBondContact O-N 2.78Å; R105-G111 VanDerWaalsContact O-N 3.14Å; R105-E411 WeakPolarHBondContact CD-OE1 3.43Å; R105-E411 HydrophobicContact CG-CB 4.14Å; R105-E411 HydrophobicContact CG-CG 3.53Å; R105-E411 WeakPolarHBondContact CG-OE1 3.36Å; R105-E411 IonicContact CZ-OE1 3.35Å; R105-E411 IonicContact NE-OE1 2.9Å; R105-E411 IonicContact NH1-OE1 2.75Å; R105-E411 PolarHBondContact NH1-OE1 2.98Å; R105-E411 IonicContact NH1-OE2 2.91Å
106G95.6Very high94.2Very high0 Ų052.4 Ų52.40%026%0.26CS..Hα-helixtrans-64.4-31.4177.500000113N102 Y103 G111 G148 F149N102-G106 PolarHBondContact O-N 3.47Å; Y103-G106 PolarHBondContact O-N 3.44Å; G106-G111 VanDerWaalsContact O-CA 3.28Å; G106-G111 WeakPolarHBondContact O-CA 3.31Å; G106-G148 VanDerWaalsContact C-C 3.48Å; G106-G148 CarbonylContact O-C 3.52Å; G106-F149 VanDerWaalsContact O-CA 3.28Å; G106-F149 WeakPolarHBondContact O-CA 3.3Å; G106-F149 PolarHBondContact O-N 3.03Å
107H96.8Very high94.5Very high9 Ų946.1 Ų46.14%0.04224%0.236CC..Hα-helixtrans-98.8-46.6-174-167.788.5000113.7Y103 A104 R105 G148 L152 E155Y103-H107 HydrophobicContact CD1-CB 4.31Å; Y103-H107 HydrophobicContact CE1-CB 3.85Å; Y103-H107 AromaticContact CZ-CG 3.95Å; Y103-H107 AromaticContact CZ-ND1 3.92Å; Y103-H107 WeakPolarHBondContact O-CB 3.33Å; Y103-H107 PolarHBondContact O-N 2.89Å; Y103-H107 PolarHBondContact OH-ND1 3.33Å; A104-H107 PolarHBondContact O-N 2.73Å; R105-H107 VanDerWaalsContact C-N 3.27Å; R105-H107 PolarHBondContact O-N 2.83Å; H107-G148 WeakPolarHBondContact CB-O 3.32Å; H107-G148 PolarHBondContact ND1-O 2.86Å; H107-L152 PolarHBondContact ND1-N 3.04Å; H107-E155 IonicContact CE1-OE1 3.9Å; H107-E155 PolarHBondContact CE1-OE1 2.79Å; H107-E155 VanDerWaalsContact CE1-OE1 3.26Å; H107-E155 IonicContact CE1-OE2 3.35Å; H107-E155 IonicContact NE2-OE1 2.72Å
108Y94.7Very high94.8Very high53 Ų5340.8 Ų40.821%0.20821%0.211CC..THydrogen-bonded Turntrans-103.2-35.3-167.5-68.1-69.3000115.3Y103 A104 K112 M413 E417Y103-Y108 HydrophobicContact CE1-CE2 4.42Å; A104-Y108 HydrophobicContact CB-CD2 4.21Å; A104-Y108 WeakPolarHBondContact O-CA 3.48Å; A104-Y108 WeakPolarHBondContact O-CB 3.24Å; A104-Y108 PolarHBondContact O-N 2.83Å; Y108-K112 WeakPolarHBondContact O-CD 3.43Å; Y108-K112 WeakPolarHBondContact O-CE 3.47Å; Y108-K112 WeakPolarHBondContact O-CG 3.44Å; Y108-K112 PolarHBondContact O-NZ 2.92Å; Y108-M413 HydrophobicContact CD2-CB 3.88Å; Y108-M413 HydrophobicContact CD2-CG 4.36Å; Y108-M413 HydrophobicContact CE2-CB 3.79Å; Y108-M413 HydrophobicContact CE2-CG 3.78Å; Y108-E417 PolarHBondContact OH-OE1 3.48Å; Y108-E417 VanDerWaalsContact OH-OE1 3.05Å; Y108-E417 PolarHBondContact OH-OE2 3.48Å
109T93.8Very high95.1Very high47 Ų4738.5 Ų38.529%0.28820%0.199SC..SBendtrans-106.9-85.2-17556.90000111.6A104 R105 G111 K112 E411A104-T109 PolarHBondContact O-N 3.3Å; R105-T109 WeakPolarHBondContact CA-OG1 3.42Å; T109-G111 VanDerWaalsContact C-N 3.35Å; T109-G111 PolarHBondContact O-N 3.15Å; T109-K112 PolarHBondContact O-N 3.06Å; T109-E411 HydrophobicContact CG2-CB 4.39Å; T109-E411 VanDerWaalsContact CG2-O 3.31Å; T109-E411 WeakPolarHBondContact CG2-O 3.41Å; T109-E411 WeakPolarHBondContact CG2-OE2 3.15Å; T109-E411 PolarHBondContact OG1-OE2 2.8Å
110V94.6Very high95.3Very high18 Ų1841.5 Ų41.511%0.10922%0.215CC..Hα-helixtrans-61.2-41.9-174.1-174.40000111.9L70 E97 R105 K112 E113L70-V110 HydrophobicContact CB-CG1 4.4Å; L70-V110 HydrophobicContact CD1-CB 4.31Å; L70-V110 HydrophobicContact CD1-CG1 4.01Å; L70-V110 HydrophobicContact CD2-CG1 4.15Å; L70-V110 HydrophobicContact CG-CG1 4.41Å; E97-V110 WeakPolarHBondContact O-CG1 3.35Å; R105-V110 HydrophobicContact CB-CG2 4.36Å; R105-V110 PolarHBondContact O-N 3.34Å; V110-K112 VanDerWaalsContact C-N 3.27Å; V110-K112 PolarHBondContact O-N 2.79Å; V110-E113 WeakPolarHBondContact O-CB 3.5Å; V110-E113 PolarHBondContact O-N 2.84Å; V110-E113 VanDerWaalsContact O-N 3.12Å
111G93.7Very high95.5Very high0 Ų040.8 Ų40.80%020%0.2CC..Hα-helixtrans-61.2-32.8-179.500000114.4R105 G106 T109 E113 I114 I115R105-G111 PolarHBondContact O-N 2.78Å; R105-G111 VanDerWaalsContact O-N 3.14Å; G106-G111 VanDerWaalsContact O-CA 3.28Å; G106-G111 WeakPolarHBondContact O-CA 3.31Å; T109-G111 VanDerWaalsContact C-N 3.35Å; T109-G111 PolarHBondContact O-N 3.15Å; G111-E113 PolarHBondContact O-N 3.28Å; G111-I114 PolarHBondContact O-N 3.1Å; G111-I115 PolarHBondContact O-N 3.45Å
112K93.6Very high95.6Very high108 Ų10837.8 Ų37.847%0.4718%0.184SC..Hα-helixtrans-67.5-23.8178.3-69.5-168.4-173.6143.30113.1Y108 T109 V110 I114 L152Y108-K112 WeakPolarHBondContact O-CD 3.43Å; Y108-K112 WeakPolarHBondContact O-CE 3.47Å; Y108-K112 WeakPolarHBondContact O-CG 3.44Å; Y108-K112 PolarHBondContact O-NZ 2.92Å; T109-K112 PolarHBondContact O-N 3.06Å; V110-K112 VanDerWaalsContact C-N 3.27Å; V110-K112 PolarHBondContact O-N 2.79Å; K112-I114 VanDerWaalsContact C-N 3.31Å; K112-L152 HydrophobicContact CG-CD2 4.33Å
113E94.3Very high95.6Very high170 Ų17042.8 Ų42.879%0.79420%0.201SC*.Hα-helixtrans-72.6-27.2178.2-58.6-170.5170.700112.4V110 G111V110-E113 WeakPolarHBondContact O-CB 3.5Å; V110-E113 PolarHBondContact O-N 2.84Å; V110-E113 VanDerWaalsContact O-N 3.12Å; G111-E113 PolarHBondContact O-N 3.28Å
114I95.1Very high95.5Very high15 Ų1546.9 Ų46.98%0.07722%0.22CC..Hα-helixtrans-108.8-17.8-173.6-151.2167.8000113.9L70 I93 G111 K112 D116 L117 V118 F149L70-I114 HydrophobicContact CD2-CG2 3.63Å; I93-I114 HydrophobicContact CG2-CD1 3.67Å; I93-I114 HydrophobicContact CG2-CG1 3.92Å; G111-I114 PolarHBondContact O-N 3.1Å; K112-I114 VanDerWaalsContact C-N 3.31Å; I114-D116 VanDerWaalsContact C-N 3.34Å; I114-D116 PolarHBondContact O-N 2.91Å; I114-L117 HydrophobicContact CG1-CD2 4.4Å; I114-L117 WeakPolarHBondContact O-CB 3.43Å; I114-L117 PolarHBondContact O-N 2.87Å; I114-L117 VanDerWaalsContact O-N 3.12Å; I114-V118 HydrophobicContact CG1-CG2 4.48Å; I114-V118 PolarHBondContact O-N 3.46Å; I114-F149 HydrophobicContact CG2-CD2 4.1Å; I114-F149 HydrophobicContact CG2-CE2 3.37Å; I114-F149 HydrophobicContact CG2-CZ 3.85Å
115I96.3Very high95.4Very high8 Ų847.5 Ų47.54%0.04122%0.223CC..Hα-helixtrans-56.8-43.3-174-172.759.7000112.9G111 L117 V118 L119 F149 L152 L153 R156G111-I115 PolarHBondContact O-N 3.45Å; I115-L117 VanDerWaalsContact C-N 3.3Å; I115-L117 PolarHBondContact O-N 3.38Å; I115-V118 PolarHBondContact O-N 3.22Å; I115-V118 VanDerWaalsContact O-N 3.15Å; I115-L119 HydrophobicContact CD1-CD1 4.39Å; I115-L119 HydrophobicContact CD1-CG 4.24Å; I115-L119 HydrophobicContact CG1-CD1 3.99Å; I115-L119 HydrophobicContact CG1-CG 4.3Å; I115-L119 WeakPolarHBondContact O-CG 3.26Å; I115-L119 PolarHBondContact O-N 2.94Å; I115-F149 HydrophobicContact CB-CE2 4.14Å; I115-F149 HydrophobicContact CD1-CE2 4.02Å; I115-F149 HydrophobicContact CD1-CZ 3.86Å; I115-L152 HydrophobicContact CB-CD2 3.91Å; I115-L152 HydrophobicContact CD1-CD2 4.39Å; I115-L152 HydrophobicContact CD1-CG 4.24Å; I115-L152 HydrophobicContact CG1-CD2 4.04Å; I115-L152 HydrophobicContact CG1-CG 4.1Å; I115-L152 HydrophobicContact CG2-CD2 4.24Å; I115-L153 HydrophobicContact CD1-CB 4.3Å; I115-L153 HydrophobicContact CD1-CD1 4.06Å; I115-R156 HydrophobicContact CD1-CG 4.41Å; I115-R156 HydrophobicContact CG1-CG 4.09Å
116D96.1Very high95.3Very high121 Ų12146.5 Ų46.565%0.64722%0.222SC*.Hα-helixtrans-63.6-37.4-179.5-70.9-25.2000111.9I114 D120I114-D116 VanDerWaalsContact C-N 3.34Å; I114-D116 PolarHBondContact O-N 2.91Å; D116-D120 PolarHBondContact O-N 2.88Å
117L96.1Very high95.2Very high77 Ų7752.6 Ų52.640%0.40325%0.254SS..Hα-helixtrans-64.8-45.7174.8175.462.6000110.6I93 I114 I115 L119 D120 R121I93-L117 HydrophobicContact CG2-CD2 3.85Å; I93-L117 HydrophobicContact CG2-CG 4.32Å; I114-L117 HydrophobicContact CG1-CD2 4.4Å; I114-L117 WeakPolarHBondContact O-CB 3.43Å; I114-L117 PolarHBondContact O-N 2.87Å; I114-L117 VanDerWaalsContact O-N 3.12Å; I115-L117 VanDerWaalsContact C-N 3.3Å; I115-L117 PolarHBondContact O-N 3.38Å; L117-L119 VanDerWaalsContact C-N 3.35Å; L117-L119 PolarHBondContact O-N 3.23Å; L117-D120 PolarHBondContact O-N 3.43Å; L117-R121 HydrophobicContact CD1-CG 4.47Å; L117-R121 WeakPolarHBondContact O-CG 3.24Å; L117-R121 PolarHBondContact O-N 3.45Å
118V96.6Very high94.9Very high0 Ų057.4 Ų57.40%028%0.277CS..Hα-helixtrans-61.2-45.4178.5175.30000110.7M7 V68 I93 I114 I115 D120 R121 T122 F149 L153M7-V118 HydrophobicContact CE-CG1 3.82Å; V68-V118 HydrophobicContact CB-CG2 4.42Å; V68-V118 HydrophobicContact CG1-CG2 3.72Å; V68-V118 HydrophobicContact CG2-CB 4.49Å; V68-V118 HydrophobicContact CG2-CG1 3.86Å; V68-V118 HydrophobicContact CG2-CG2 3.76Å; I93-V118 HydrophobicContact CD1-CB 4.32Å; I93-V118 HydrophobicContact CD1-CG2 3.84Å; I93-V118 HydrophobicContact CG2-CG2 4.06Å; I114-V118 HydrophobicContact CG1-CG2 4.48Å; I114-V118 PolarHBondContact O-N 3.46Å; I115-V118 PolarHBondContact O-N 3.22Å; I115-V118 VanDerWaalsContact O-N 3.15Å; V118-D120 PolarHBondContact O-N 3.24Å; V118-R121 PolarHBondContact O-N 2.93Å; V118-T122 PolarHBondContact O-N 2.86Å; V118-T122 PolarHBondContact O-OG1 2.78Å; V118-F149 HydrophobicContact CB-CZ 4.18Å; V118-F149 HydrophobicContact CG1-CZ 4.39Å; V118-F149 HydrophobicContact CG2-CE1 4.31Å; V118-F149 HydrophobicContact CG2-CZ 3.78Å; V118-L153 HydrophobicContact CG1-CD1 4.14Å
119L96.4Very high94.7Very high16 Ų1655.8 Ų55.88%0.08427%0.273CS..Hα-helixtrans-63.3-39.9177.8-68.1172.3000112.6I115 L117 R121 T122 R123 L153 R156 L157I115-L119 HydrophobicContact CD1-CD1 4.39Å; I115-L119 HydrophobicContact CD1-CG 4.24Å; I115-L119 HydrophobicContact CG1-CD1 3.99Å; I115-L119 HydrophobicContact CG1-CG 4.3Å; I115-L119 WeakPolarHBondContact O-CG 3.26Å; I115-L119 PolarHBondContact O-N 2.94Å; L117-L119 VanDerWaalsContact C-N 3.35Å; L117-L119 PolarHBondContact O-N 3.23Å; L119-R121 VanDerWaalsContact C-N 3.33Å; L119-R121 PolarHBondContact O-N 3.45Å; L119-T122 PolarHBondContact O-N 3.42Å; L119-R123 WeakPolarHBondContact O-CB 3.48Å; L119-R123 PolarHBondContact O-N 3.24Å; L119-L153 HydrophobicContact CD2-CD1 4.23Å; L119-R156 HydrophobicContact CD1-CB 3.78Å; L119-R156 HydrophobicContact CD1-CG 4.05Å; L119-R156 HydrophobicContact CD2-CB 3.9Å; L119-R156 HydrophobicContact CG-CB 4.41Å; L119-L157 HydrophobicContact CD2-CD2 4.36Å
120D96.6Very high94.5Very high65 Ų6558.7 Ų58.735%0.34829%0.291SS..Hα-helixtrans-60.9-41.8173.6179.869.5000111.6D116 L117 V118 R123 K124D116-D120 PolarHBondContact O-N 2.88Å; L117-D120 PolarHBondContact O-N 3.43Å; V118-D120 PolarHBondContact O-N 3.24Å; D120-R123 PolarHBondContact O-N 2.75Å; D120-K124 WeakPolarHBondContact O-CG 3.28Å; D120-K124 PolarHBondContact O-N 2.76Å; D120-K124 VanDerWaalsContact OD2-CE 3.22Å; D120-K124 WeakPolarHBondContact OD2-CE 3.34Å; D120-K124 IonicContact OD2-NZ 2.75Å; D120-K124 PolarHBondContact OD2-NZ 2.77Å
121R95.6Very high94.2Very high43 Ų4359.2 Ų59.216%0.16230%0.3CS..Hα-helixtrans-67.4-41.7176.2-61.4-41-173157.21.4112.1I66 E90 I93 L117 V118 L119 R123 K124 L125I66-R121 HydrophobicContact CD1-CB 4.45Å; E90-R121 IonicContact OE1-CZ 3.71Å; E90-R121 IonicContact OE1-NH1 2.82Å; E90-R121 PolarHBondContact OE1-NH1 2.79Å; E90-R121 IonicContact OE1-NH2 2.63Å; E90-R121 PolarHBondContact OE1-NH2 2.89Å; E90-R121 IonicContact OE2-CZ 2.73Å; E90-R121 IonicContact OE2-NH1 2.94Å; E90-R121 PolarHBondContact OE2-NH1 2.72Å; I93-R121 HydrophobicContact CD1-CB 3.88Å; I93-R121 HydrophobicContact CD1-CG 3.58Å; I93-R121 HydrophobicContact CG1-CG 4.3Å; L117-R121 HydrophobicContact CD1-CG 4.47Å; L117-R121 WeakPolarHBondContact O-CG 3.24Å; L117-R121 PolarHBondContact O-N 3.45Å; V118-R121 PolarHBondContact O-N 2.93Å; L119-R121 VanDerWaalsContact C-N 3.33Å; L119-R121 PolarHBondContact O-N 3.45Å; R121-R123 VanDerWaalsContact C-N 3.31Å; R121-R123 PolarHBondContact O-N 2.87Å; R121-K124 PolarHBondContact O-N 2.9Å; R121-L125 PolarHBondContact O-N 3.49Å
122T95.7Very high94.1Very high0 Ų059.9 Ų59.90%030%0.303CS..Hα-helixtrans-59.5-43.5173.9-57.20000111.3M7 I66 V118 L119 K124 L125 A126 F135 L157 Y161M7-T122 VanDerWaalsContact CE-OG1 3.27Å; M7-T122 WeakPolarHBondContact CE-OG1 3.42Å; M7-T122 HydrophobicContact SD-CG2 4.38Å; I66-T122 HydrophobicContact CD1-CG2 4.49Å; I66-T122 VanDerWaalsContact CD1-OG1 3.25Å; I66-T122 WeakPolarHBondContact CD1-OG1 3.49Å; V118-T122 PolarHBondContact O-N 2.86Å; V118-T122 PolarHBondContact O-OG1 2.78Å; L119-T122 PolarHBondContact O-N 3.42Å; T122-K124 PolarHBondContact O-N 3.4Å; T122-L125 PolarHBondContact O-N 2.98Å; T122-A126 WeakPolarHBondContact O-CB 3.26Å; T122-A126 PolarHBondContact O-N 2.9Å; T122-F135 HydrophobicContact CG2-CD1 4.4Å; T122-F135 HydrophobicContact CG2-CE1 3.54Å; T122-F135 HydrophobicContact CG2-CZ 4.14Å; T122-L157 HydrophobicContact CG2-CD2 4.09Å; T122-Y161 HydrophobicContact CG2-CE2 4.46Å
123R96Very high93.9Very high114 Ų11456 Ų5643%0.4329%0.287SS..Hα-helixtrans-60.6-45.8177.3-171.8174-62.9166.91.8112.2L119 D120 R121 L125 A126 D127 D160 Y161L119-R123 WeakPolarHBondContact O-CB 3.48Å; L119-R123 PolarHBondContact O-N 3.24Å; D120-R123 PolarHBondContact O-N 2.75Å; R121-R123 VanDerWaalsContact C-N 3.31Å; R121-R123 PolarHBondContact O-N 2.87Å; R123-L125 VanDerWaalsContact C-N 3.27Å; R123-L125 PolarHBondContact O-N 3.09Å; R123-A126 PolarHBondContact O-N 3.37Å; R123-A126 VanDerWaalsContact O-N 3.12Å; R123-D127 VanDerWaalsContact O-CG 3.24Å; R123-D127 PolarHBondContact O-N 2.85Å; R123-D160 IonicContact NH2-OD2 3.59Å; R123-D160 PolarHBondContact NH2-OD2 2.65Å; R123-Y161 WeakPolarHBondContact CA-OH 3.45Å
124K95.2Very high93.9Very high88 Ų8848 Ų4838%0.38325%0.249SC..Hα-helixtrans-58.4-37.3176.1-73171.4-178.21600113D120 R121 T122 Q128D120-K124 WeakPolarHBondContact O-CG 3.28Å; D120-K124 PolarHBondContact O-N 2.76Å; D120-K124 VanDerWaalsContact OD2-CE 3.22Å; D120-K124 WeakPolarHBondContact OD2-CE 3.34Å; D120-K124 IonicContact OD2-NZ 2.75Å; D120-K124 PolarHBondContact OD2-NZ 2.77Å; R121-K124 PolarHBondContact O-N 2.9Å; T122-K124 PolarHBondContact O-N 3.4Å; K124-Q128 WeakPolarHBondContact O-CG 3.43Å; K124-Q128 PolarHBondContact O-N 3.48Å
125L94.1Very high93.9Very high13 Ų1347.2 Ų47.27%0.06825%0.245CC..Hα-helixtrans-74.3-38.3175-65.1-174.6000112.4I5 I66 Q91 R121 T122 R123 D127 Q128 C129I5-L125 HydrophobicContact CD1-CB 3.85Å; I5-L125 HydrophobicContact CG1-CB 4.44Å; I5-L125 HydrophobicContact CG2-CD1 4.36Å; I66-L125 HydrophobicContact CD1-CD1 3.8Å; I66-L125 HydrophobicContact CG1-CD1 3.54Å; Q91-L125 HydrophobicContact CG-CD1 4.26Å; Q91-L125 VanDerWaalsContact NE2-CD2 3.28Å; R121-L125 PolarHBondContact O-N 3.49Å; T122-L125 PolarHBondContact O-N 2.98Å; R123-L125 VanDerWaalsContact C-N 3.27Å; R123-L125 PolarHBondContact O-N 3.09Å; L125-D127 VanDerWaalsContact C-N 3.32Å; L125-D127 PolarHBondContact O-N 3.34Å; L125-Q128 WeakPolarHBondContact O-CB 3.29Å; L125-Q128 PolarHBondContact O-N 3.17Å; L125-C129 PolarHBondContact O-N 3.45Å; L125-C129 PolarHBondContact O-SG 2.98Å
126A94.2Very high93.9Very high12 Ų1247 Ų4710%0.09924%0.244CC..Hα-helixtrans-62.7-39.9175.500000111.6I5 T122 R123 Q128 C129 L132 Y161I5-A126 HydrophobicContact CD1-CB 4.27Å; T122-A126 WeakPolarHBondContact O-CB 3.26Å; T122-A126 PolarHBondContact O-N 2.9Å; R123-A126 PolarHBondContact O-N 3.37Å; R123-A126 VanDerWaalsContact O-N 3.12Å; A126-Q128 PolarHBondContact O-N 3.39Å; A126-C129 WeakPolarHBondContact O-CB 3.33Å; A126-C129 PolarHBondContact O-N 2.85Å; A126-L132 HydrophobicContact CB-CD2 4.02Å; A126-Y161 HydrophobicContact CB-CE1 3.98Å
127D93.6Very high93.9Very high127 Ų12741.2 Ų41.268%0.67921%0.213SC*.Hα-helixtrans-65.6-24.7176.7-68.7-17.8000112.6R123 L125 C129R123-D127 VanDerWaalsContact O-CG 3.24Å; R123-D127 PolarHBondContact O-N 2.85Å; L125-D127 VanDerWaalsContact C-N 3.32Å; L125-D127 PolarHBondContact O-N 3.34Å; D127-C129 VanDerWaalsContact C-N 3.28Å
128Q90.1Very high94Very high111 Ų11137.6 Ų37.652%0.51919%0.194SC..THydrogen-bonded Turntrans-81.9-3.8172.6-68.8173.27.800113.4R64 K124 L125 A126R64-Q128 PolarHBondContact NH1-O 3Å; K124-Q128 WeakPolarHBondContact O-CG 3.43Å; K124-Q128 PolarHBondContact O-N 3.48Å; L125-Q128 WeakPolarHBondContact O-CB 3.29Å; L125-Q128 PolarHBondContact O-N 3.17Å; A126-Q128 PolarHBondContact O-N 3.39Å
129C91.3Very high94Very high18 Ų1837.6 Ų37.612%0.12219%0.194CC..  trans-97.7133.9178.9-61.30000110.2E3 R64 L125 A126 D127 L132E3-C129 HydrophobicContact CB-CB 3.94Å; E3-C129 HydrophobicContact CG-CB 4.15Å; R64-C129 PolarHBondContact NH1-SG 3.03Å; L125-C129 PolarHBondContact O-N 3.45Å; L125-C129 PolarHBondContact O-SG 2.98Å; A126-C129 WeakPolarHBondContact O-CB 3.33Å; A126-C129 PolarHBondContact O-N 2.85Å; D127-C129 VanDerWaalsContact C-N 3.28Å; C129-L132 HydrophobicContact CB-CB 4.01Å
130T89.8Confident93.9Very high109 Ų10937.7 Ų37.767%0.66920%0.196SC*.SBendtrans-78.9-31.417461.50000112.1E3E3-T130 PolarHBondContact OE1-N 3.34Å; E3-T130 PolarHBondContact OE1-OG1 3.38Å
131G88.1Confident93.7Very high29 Ų2934.7 Ų34.730%0.29918%0.18SC..SBendtrans-151.262-176.500000112.6E3 Q133E3-G131 PolarHBondContact N-O 3.02Å; E3-G131 VanDerWaalsContact OE2-CA 3.31Å; E3-G131 WeakPolarHBondContact OE2-CA 3.28Å; E3-G131 PolarHBondContact OE2-N 2.82Å; G131-Q133 PolarHBondContact O-N 3.27Å; G131-Q133 VanDerWaalsContact O-N 3.14Å
132L91.9Very high93.4Very high14 Ų1432.9 Ų32.97%0.07318%0.175CC..  trans-52.1119.1176.7-179.866.5000110.9E3 I5 A126 C129 F135 Y161 K164E3-L132 WeakPolarHBondContact O-CA 3.46Å; I5-L132 HydrophobicContact CB-CD1 4.46Å; I5-L132 HydrophobicContact CD1-CD1 3.72Å; I5-L132 HydrophobicContact CD1-CD2 4.29Å; I5-L132 HydrophobicContact CG1-CD1 3.77Å; A126-L132 HydrophobicContact CB-CD2 4.02Å; C129-L132 HydrophobicContact CB-CB 4.01Å; L132-F135 HydrophobicContact CD2-CE1 4.33Å; L132-F135 HydrophobicContact CD2-CE2 4.45Å; L132-F135 HydrophobicContact CD2-CZ 3.89Å; L132-Y161 HydrophobicContact CD2-CD1 4.49Å; L132-K164 WeakPolarHBondContact O-CD 3.43Å; L132-K164 WeakPolarHBondContact O-CE 3.36Å; L132-K164 PolarHBondContact O-NZ 2.94Å
133Q89.8Confident93.2Very high27 Ų2733.6 Ų33.613%0.12618%0.182CC..  trans-79.5-46.7174.3-69-166.6-4200111.3R2 E3 G131 S165 D251 L252R2-Q133 VanDerWaalsContact CB-CD 3.45Å; R2-Q133 HydrophobicContact CB-CG 3.83Å; R2-Q133 HydrophobicContact CG-CG 4.15Å; E3-Q133 PolarHBondContact O-N 3.09Å; G131-Q133 PolarHBondContact O-N 3.27Å; G131-Q133 VanDerWaalsContact O-N 3.14Å; Q133-S165 PolarHBondContact O-N 3.43Å; Q133-D251 PolarHBondContact NE2-OD1 2.78Å; Q133-L252 HydrophobicContact CB-CD1 3.86Å; Q133-L252 HydrophobicContact CB-CG 4.28Å
134G92.9Very high93.2Very high0 Ų028.2 Ų28.20%016%0.163CC..EExtended strand (participates in β ladder)trans175-171.3-168.800000115I5 S165I5-G134 PolarHBondContact N-O 3.37Å; G134-S165 CarbonylContact C-O 3.56Å; G134-S165 WeakPolarHBondContact CA-O 3.43Å
135F95.6Very high93.2Very high0 Ų024.7 Ų24.70%015%0.148CC..EExtended strand (participates in β ladder)trans-116.4137.5-179.1-55.6-82.3000110.3I5 M7 T122 L132 I137 L157 Y161 K164 S165 K166 L167I5-F135 HydrophobicContact CB-CD1 3.93Å; I5-F135 HydrophobicContact CB-CE1 4.2Å; I5-F135 HydrophobicContact CD1-CE1 4.06Å; I5-F135 HydrophobicContact CG2-CD1 4.21Å; I5-F135 HydrophobicContact CG2-CE1 4.47Å; I5-F135 CarbonylContact O-C 3.58Å; I5-F135 VanDerWaalsContact O-CA 3.3Å; I5-F135 WeakPolarHBondContact O-CA 3.48Å; M7-F135 HydrophobicContact SD-CD1 4.06Å; T122-F135 HydrophobicContact CG2-CD1 4.4Å; T122-F135 HydrophobicContact CG2-CE1 3.54Å; T122-F135 HydrophobicContact CG2-CZ 4.14Å; L132-F135 HydrophobicContact CD2-CE1 4.33Å; L132-F135 HydrophobicContact CD2-CE2 4.45Å; L132-F135 HydrophobicContact CD2-CZ 3.89Å; F135-I137 HydrophobicContact CB-CD1 4.38Å; F135-I137 HydrophobicContact CB-CG1 4.28Å; F135-L157 HydrophobicContact CD2-CD1 4.35Å; F135-L157 HydrophobicContact CE1-CD2 4.22Å; F135-L157 HydrophobicContact CE2-CD2 4.16Å; F135-L157 HydrophobicContact CG-CD1 4.25Å; F135-L157 HydrophobicContact CZ-CD2 3.99Å; F135-Y161 AromaticContact CE2-CD2 3.96Å; F135-Y161 HydrophobicContact CE2-CD2 3.96Å; F135-Y161 AromaticContact CE2-CG 3.84Å; F135-Y161 HydrophobicContact CE2-CG 3.84Å; F135-Y161 HydrophobicContact CZ-CD1 4.25Å; F135-Y161 AromaticContact CZ-CD2 3.69Å; F135-Y161 HydrophobicContact CZ-CD2 3.69Å; F135-Y161 HydrophobicContact CZ-CE2 4.05Å; F135-Y161 AromaticContact CZ-CG 3.81Å; F135-Y161 HydrophobicContact CZ-CG 3.81Å; F135-K164 HydrophobicContact CE2-CB 4.27Å; F135-S165 PolarHBondContact N-O 3.21Å; F135-K166 HydrophobicContact CD2-CG 4.11Å; F135-L167 PolarHBondContact O-N 3.45Å
136L95.4Very high93.2Very high2 Ų224.1 Ų24.11%0.0115%0.145CC..EExtended strand (participates in β ladder)trans-108.3114.1169.7-57.2178.9000107.8I5 S6 M7 F52 F138 L167 F169 T239 L252I5-L136 PolarHBondContact O-N 2.73Å; S6-L136 CarbonylContact C-O 3.52Å; S6-L136 VanDerWaalsContact CA-O 3.31Å; S6-L136 WeakPolarHBondContact CA-O 3.36Å; M7-L136 PolarHBondContact N-O 2.88Å; F52-L136 HydrophobicContact CE1-CD1 3.82Å; F52-L136 HydrophobicContact CZ-CD1 3.61Å; L136-F138 HydrophobicContact CB-CE2 3.72Å; L136-F138 HydrophobicContact CB-CZ 4.24Å; L136-L167 CarbonylContact C-O 3.49Å; L136-L167 WeakPolarHBondContact CA-O 3.34Å; L136-L167 HydrophobicContact CD2-CB 3.86Å; L136-L167 HydrophobicContact CD2-CD1 3.82Å; L136-F169 HydrophobicContact CD2-CE2 4.43Å; L136-T239 HydrophobicContact CD1-CG2 3.91Å; L136-L252 HydrophobicContact CD2-CD2 4.17Å
137I97.2Very high93.3Very high0 Ų023.5 Ų23.50%014%0.141CC..EExtended strand (participates in β ladder)trans-111.3120.8-170.1-62.8167.1000109M7 F135 T150 M154 L157 L167 E168 F169M7-I137 HydrophobicContact CB-CG1 4.31Å; M7-I137 CarbonylContact O-C 3.53Å; M7-I137 WeakPolarHBondContact O-CA 3.18Å; F135-I137 HydrophobicContact CB-CD1 4.38Å; F135-I137 HydrophobicContact CB-CG1 4.28Å; I137-T150 HydrophobicContact CG2-CG2 3.79Å; I137-M154 HydrophobicContact CD1-CE 4.35Å; I137-M154 HydrophobicContact CD1-CG 4.15Å; I137-M154 HydrophobicContact CD1-SD 3.11Å; I137-M154 WeakPolarHBondContact CD1-SD 3.34Å; I137-L157 HydrophobicContact CD1-CD1 4.03Å; I137-L167 PolarHBondContact N-O 3.11Å; I137-E168 HydrophobicContact CB-CG 4.31Å; I137-E168 CarbonylContact O-C 3.46Å; I137-E168 WeakPolarHBondContact O-CA 3.22Å; I137-F169 PolarHBondContact O-N 3.24Å
138F97.4Very high93.5Very high1 Ų117.5 Ų17.50%0.00411%0.108CC..EExtended strand (participates in β ladder)trans-111.1119-177.1-61.1-96.4000108.6M7 H8 V9 G13 M16 L136 F169 V235M7-F138 PolarHBondContact O-N 2.84Å; H8-F138 AromaticContact CE1-CD2 3.2Å; H8-F138 WeakPolarHBondContact CE1-CD2 3.47Å; H8-F138 AromaticContact CE1-CE2 3.55Å; H8-F138 AromaticContact CE1-CG 3.66Å; H8-F138 AromaticContact ND1-CD2 3.43Å; H8-F138 WeakPolarHBondContact ND1-CD2 3.49Å; H8-F138 AromaticContact ND1-CG 3.54Å; H8-F138 AromaticContact NE2-CD2 3.98Å; V9-F138 PolarHBondContact N-O 2.99Å; G13-F138 WeakPolarHBondContact CA-O 3.46Å; M16-F138 HydrophobicContact CE-CB 3.82Å; M16-F138 HydrophobicContact CE-CD1 3.9Å; M16-F138 HydrophobicContact CE-CG 4.38Å; L136-F138 HydrophobicContact CB-CE2 3.72Å; L136-F138 HydrophobicContact CB-CZ 4.24Å; F138-F169 HydrophobicContact CD1-CB 3.49Å; F138-F169 VanDerWaalsContact CD1-CB 3.49Å; F138-F169 AromaticContact CD1-CD2 3.71Å; F138-F169 HydrophobicContact CD1-CD2 3.71Å; F138-F169 AromaticContact CD1-CG 3.78Å; F138-F169 HydrophobicContact CD1-CG 3.78Å; F138-F169 HydrophobicContact CE1-CB 3.81Å; F138-F169 HydrophobicContact CE1-CD1 4.36Å; F138-F169 AromaticContact CE1-CD2 3.2Å; F138-F169 HydrophobicContact CE1-CD2 3.2Å; F138-F169 AromaticContact CE1-CE2 3.8Å; F138-F169 HydrophobicContact CE1-CE2 3.8Å; F138-F169 AromaticContact CE1-CG 3.53Å; F138-F169 HydrophobicContact CE1-CG 3.53Å; F138-F169 HydrophobicContact CE2-CD2 4.16Å; F138-F169 HydrophobicContact CG-CB 4.25Å; F138-F169 HydrophobicContact CG-CD2 4.37Å; F138-F169 AromaticContact CZ-CD2 3.47Å; F138-F169 HydrophobicContact CZ-CD2 3.47Å; F138-F169 VanDerWaalsContact CZ-CD2 3.47Å; F138-F169 AromaticContact CZ-CE2 3.73Å; F138-F169 HydrophobicContact CZ-CE2 3.73Å; F138-F169 HydrophobicContact CZ-CG 4.27Å; F138-V235 HydrophobicContact CE1-CG1 3.63Å; F138-V235 HydrophobicContact CE1-CG2 4.02Å; F138-V235 HydrophobicContact CZ-CG1 3.85Å
139H96.8Very high93.8Very high0 Ų012.2 Ų12.20%08%0.084CC..EExtended strand (participates in β ladder)trans-155.8175.5-175.174.8116.5000111.8V9 F141 G146 T150 E168 F169 A170 V171V9-H139 HydrophobicContact CB-CB 4.28Å; H139-F141 AromaticContact CE1-CD1 3.7Å; H139-F141 AromaticContact CE1-CE1 3.68Å; H139-G146 WeakPolarHBondContact CB-O 3.39Å; H139-G146 PolarHBondContact ND1-O 2.91Å; H139-T150 HydrophobicContact CB-CG2 4.26Å; H139-T150 WeakPolarHBondContact CB-OG1 3.34Å; H139-E168 IonicContact NE2-OE1 2.65Å; H139-F169 PolarHBondContact N-O 3.43Å; H139-F169 VanDerWaalsContact N-O 3.11Å; H139-A170 WeakPolarHBondContact NE2-CB 3.48Å; H139-V171 PolarHBondContact O-N 3.45Å
140S94.4Very high94.1Very high19 Ų1911.3 Ų11.313%0.1338%0.078CC..EExtended strand (participates in β ladder)trans-115.8145.6170.460.60000111.2G143 G146 S147S140-G143 PolarHBondContact OG-N 3.33Å; S140-G146 CarbonylContact O-C 3.55Å; S140-G146 WeakPolarHBondContact O-CA 3.38Å; S140-S147 PolarHBondContact O-N 3.2Å
141F93Very high94.5Very high1 Ų16.1 Ų6.10%0.0045%0.046CC..SBendtrans-73.2-29.9172.7-71.5-29.2000112.7H139 A170 V171 Y172 N186 S187 T190 M203 W388H139-F141 AromaticContact CE1-CD1 3.7Å; H139-F141 AromaticContact CE1-CE1 3.68Å; F141-A170 HydrophobicContact CD1-CB 4.07Å; F141-A170 HydrophobicContact CD2-CB 4.41Å; F141-A170 HydrophobicContact CE1-CB 3.52Å; F141-A170 HydrophobicContact CE2-CB 3.89Å; F141-A170 HydrophobicContact CG-CB 4.5Å; F141-A170 HydrophobicContact CZ-CB 3.42Å; F141-A170 VanDerWaalsContact CZ-CB 3.42Å; F141-V171 PolarHBondContact N-O 3.49Å; F141-Y172 HydrophobicContact CD2-CD2 4.41Å; F141-N186 CarbonylContact O-C 3.52Å; F141-N186 VanDerWaalsContact O-CB 3.3Å; F141-N186 WeakPolarHBondContact O-CB 3.41Å; F141-S187 WeakPolarHBondContact CB-OG 3.44Å; F141-S187 PolarHBondContact O-N 3.43Å; F141-T190 HydrophobicContact CB-CG2 4.37Å; F141-T190 HydrophobicContact CD1-CG2 3.48Å; F141-T190 VanDerWaalsContact CD1-CG2 3.48Å; F141-T190 HydrophobicContact CE1-CG2 4.1Å; F141-T190 HydrophobicContact CG-CG2 4.25Å; F141-M203 HydrophobicContact CE2-CG 4.22Å; F141-W388 HydrophobicContact CE2-CH2 4.01Å; F141-W388 HydrophobicContact CZ-CH2 4.2Å
142G89.3Confident94.9Very high5 Ų55 Ų55%0.0523%0.033CC..SBendtrans-79.4-30.2-174.900000115.5N186G142-N186 PolarHBondContact O-ND2 3.47Å
143G92.1Very high95.1Very high15 Ų154.3 Ų4.316%0.1553%0.029CC..SBendtrans-81.6147.1-173.900000112.8S140 T145 G146 S147S140-G143 PolarHBondContact OG-N 3.33Å; G143-T145 PolarHBondContact O-N 3.42Å; G143-G146 PolarHBondContact O-N 3.16Å; G143-S147 VanDerWaalsContact O-CB 3.23Å; G143-S147 WeakPolarHBondContact O-CB 3.33Å; G143-S147 PolarHBondContact O-N 2.81Å; G143-S147 PolarHBondContact O-OG 3.48Å
144G94.3Very high95.4Very high2 Ų23 Ų32%0.0212%0.023CC..Hα-helixtrans-63.1-42.2179.900000113A99 S147 G148A99-G144 VanDerWaalsContact CB-C 3.42Å; G144-S147 PolarHBondContact O-OG 2.94Å; G144-G148 PolarHBondContact O-N 2.94Å
145T95.8Very high95.6Very high13 Ų135.5 Ų5.58%0.084%0.035CC..Iπ-helixtrans-70.4-48.8174.2-51.30000110.7V9 L70 G143 S147 F149V9-T145 HydrophobicContact CG1-CG2 4Å; L70-T145 HydrophobicContact CB-CG2 4.46Å; L70-T145 HydrophobicContact CD1-CG2 4.1Å; L70-T145 HydrophobicContact CG-CG2 3.79Å; G143-T145 PolarHBondContact O-N 3.42Å; T145-S147 PolarHBondContact O-N 3.2Å; T145-F149 HydrophobicContact CG2-CB 4.1Å; T145-F149 WeakPolarHBondContact O-CB 3.27Å; T145-F149 PolarHBondContact O-N 3.4Å; T145-F149 VanDerWaalsContact O-N 3.11Å
146G95.3Very high95.6Very high1 Ų111 Ų111%0.016%0.056CC..Iπ-helixtrans-62-29.1-177.800000113.8H139 S140 G143 T150H139-G146 WeakPolarHBondContact CB-O 3.39Å; H139-G146 PolarHBondContact ND1-O 2.91Å; S140-G146 CarbonylContact O-C 3.55Å; S140-G146 WeakPolarHBondContact O-CA 3.38Å; G143-G146 PolarHBondContact O-N 3.16Å; G146-T150 WeakPolarHBondContact O-CB 3.49Å; G146-T150 PolarHBondContact O-OG1 3.27Å
147S95.8Very high95.6Very high0 Ų011 Ų110%06%0.055CC..Iπ-helixtrans-89.8-70.8175.459.40000110.9S140 G143 G144 T145 F149 T150 S151 T190S140-S147 PolarHBondContact O-N 3.2Å; G143-S147 VanDerWaalsContact O-CB 3.23Å; G143-S147 WeakPolarHBondContact O-CB 3.33Å; G143-S147 PolarHBondContact O-N 2.81Å; G143-S147 PolarHBondContact O-OG 3.48Å; G144-S147 PolarHBondContact O-OG 2.94Å; T145-S147 PolarHBondContact O-N 3.2Å; S147-F149 PolarHBondContact O-N 3.26Å; S147-T150 PolarHBondContact O-N 3.19Å; S147-S151 PolarHBondContact O-N 3.18Å; S147-S151 PolarHBondContact O-OG 3.41Å; S147-T190 PolarHBondContact O-OG1 2.99Å
148G96.4Very high95.5Very high0 Ų012.2 Ų12.20%06%0.064CC..Iπ-helixtrans-63-46.1-170.700000114.7Y103 G106 H107 G144 T150 S151 L152Y103-G148 VanDerWaalsContact CE2-CA 3.45Å; G106-G148 VanDerWaalsContact C-C 3.48Å; G106-G148 CarbonylContact O-C 3.52Å; H107-G148 WeakPolarHBondContact CB-O 3.32Å; H107-G148 PolarHBondContact ND1-O 2.86Å; G144-G148 PolarHBondContact O-N 2.94Å; G148-T150 VanDerWaalsContact C-N 3.35Å; G148-S151 PolarHBondContact O-N 3.3Å; G148-L152 PolarHBondContact O-N 2.87Å; G148-L152 VanDerWaalsContact O-N 3.09Å
149F97.6Very high95.5Very high0 Ų017.5 Ų17.50%010%0.096CC..Iπ-helixtrans-71-34.2-179.8-173.5-97.3000111.5V9 V68 G106 I114 I115 V118 T145 S147 L152 L153V9-F149 HydrophobicContact CG1-CB 4.35Å; V9-F149 HydrophobicContact CG1-CD1 3.73Å; V68-F149 HydrophobicContact CB-CE1 4.25Å; V68-F149 HydrophobicContact CG1-CD1 4.26Å; V68-F149 HydrophobicContact CG1-CE1 3.65Å; V68-F149 HydrophobicContact CG1-CZ 4.06Å; G106-F149 VanDerWaalsContact O-CA 3.28Å; G106-F149 WeakPolarHBondContact O-CA 3.3Å; G106-F149 PolarHBondContact O-N 3.03Å; I114-F149 HydrophobicContact CG2-CD2 4.1Å; I114-F149 HydrophobicContact CG2-CE2 3.37Å; I114-F149 HydrophobicContact CG2-CZ 3.85Å; I115-F149 HydrophobicContact CB-CE2 4.14Å; I115-F149 HydrophobicContact CD1-CE2 4.02Å; I115-F149 HydrophobicContact CD1-CZ 3.86Å; V118-F149 HydrophobicContact CB-CZ 4.18Å; V118-F149 HydrophobicContact CG1-CZ 4.39Å; V118-F149 HydrophobicContact CG2-CE1 4.31Å; V118-F149 HydrophobicContact CG2-CZ 3.78Å; T145-F149 HydrophobicContact CG2-CB 4.1Å; T145-F149 WeakPolarHBondContact O-CB 3.27Å; T145-F149 PolarHBondContact O-N 3.4Å; T145-F149 VanDerWaalsContact O-N 3.11Å; S147-F149 PolarHBondContact O-N 3.26Å; F149-L152 PolarHBondContact O-N 2.88Å; F149-L153 HydrophobicContact CE1-CB 4.44Å; F149-L153 VanDerWaalsContact O-CB 3.24Å; F149-L153 WeakPolarHBondContact O-CB 3.06Å; F149-L153 PolarHBondContact O-N 3.04Å
150T97.7Very high95.4Very high0 Ų021 Ų210%012%0.115CC..Hα-helixtrans-64-45.9174.7-57.40000111.3V9 I137 H139 G146 S147 G148 L152 L153 M154V9-T150 WeakPolarHBondContact CG1-OG1 3.35Å; I137-T150 HydrophobicContact CG2-CG2 3.79Å; H139-T150 HydrophobicContact CB-CG2 4.26Å; H139-T150 WeakPolarHBondContact CB-OG1 3.34Å; G146-T150 WeakPolarHBondContact O-CB 3.49Å; G146-T150 PolarHBondContact O-OG1 3.27Å; S147-T150 PolarHBondContact O-N 3.19Å; G148-T150 VanDerWaalsContact C-N 3.35Å; T150-L152 VanDerWaalsContact C-N 3.35Å; T150-L152 PolarHBondContact O-N 3.27Å; T150-L153 WeakPolarHBondContact O-CB 3.33Å; T150-L153 PolarHBondContact O-N 3.46Å; T150-L153 VanDerWaalsContact O-N 3.17Å; T150-M154 HydrophobicContact CG2-CG 4.25Å; T150-M154 WeakPolarHBondContact O-CB 3.38Å; T150-M154 VanDerWaalsContact O-CG 3.3Å; T150-M154 WeakPolarHBondContact O-CG 3.4Å; T150-M154 PolarHBondContact O-N 3.33Å
151S96.8Very high95.4Very high0 Ų021.8 Ų21.80%012%0.115CC..Hα-helixtrans-56.3-48.5174.6-66.60000112Y103 S147 G148 L153 M154 E155 T190 T193Y103-S151 WeakPolarHBondContact OH-CB 3.34Å; S147-S151 PolarHBondContact O-N 3.18Å; S147-S151 PolarHBondContact O-OG 3.41Å; G148-S151 PolarHBondContact O-N 3.3Å; S151-L153 VanDerWaalsContact C-N 3.33Å; S151-L153 PolarHBondContact O-N 3.23Å; S151-M154 PolarHBondContact O-N 2.81Å; S151-E155 WeakPolarHBondContact O-CG 3.22Å; S151-E155 PolarHBondContact O-N 3.32Å; S151-E155 VanDerWaalsContact O-N 3.11Å; S151-T190 WeakPolarHBondContact OG-CA 3.43Å; S151-T190 PolarHBondContact OG-OG1 3.42Å; S151-T193 WeakPolarHBondContact CB-OG1 3.46Å; S151-T193 PolarHBondContact OG-OG1 3.35Å
152L96.9Very high95.2Very high4 Ų424.3 Ų24.32%0.02114%0.141CC..Hα-helixtrans-60.8-42176.4178.265.1000111.9H107 K112 I115 G148 F149 T150 R156H107-L152 PolarHBondContact ND1-N 3.04Å; K112-L152 HydrophobicContact CG-CD2 4.33Å; I115-L152 HydrophobicContact CB-CD2 3.91Å; I115-L152 HydrophobicContact CD1-CD2 4.39Å; I115-L152 HydrophobicContact CD1-CG 4.24Å; I115-L152 HydrophobicContact CG1-CD2 4.04Å; I115-L152 HydrophobicContact CG1-CG 4.1Å; I115-L152 HydrophobicContact CG2-CD2 4.24Å; G148-L152 PolarHBondContact O-N 2.87Å; G148-L152 VanDerWaalsContact O-N 3.09Å; F149-L152 PolarHBondContact O-N 2.88Å; T150-L152 VanDerWaalsContact C-N 3.35Å; T150-L152 PolarHBondContact O-N 3.27Å; L152-R156 VanDerWaalsContact O-CG 3.26Å; L152-R156 WeakPolarHBondContact O-CG 3.49Å; L152-R156 PolarHBondContact O-N 2.92Å
153L97.1Very high95.3Very high0 Ų034 Ų340%018%0.182CC..Hα-helixtrans-64.4-42.6178.2176.764.1000111.4M7 V9 I115 V118 L119 F149 T150 S151 R156 L157M7-L153 HydrophobicContact CE-CD1 3.87Å; M7-L153 HydrophobicContact CE-CD2 3.61Å; M7-L153 HydrophobicContact CE-CG 4.31Å; M7-L153 HydrophobicContact SD-CD2 4.02Å; V9-L153 HydrophobicContact CG2-CD2 4.11Å; I115-L153 HydrophobicContact CD1-CB 4.3Å; I115-L153 HydrophobicContact CD1-CD1 4.06Å; V118-L153 HydrophobicContact CG1-CD1 4.14Å; L119-L153 HydrophobicContact CD2-CD1 4.23Å; F149-L153 HydrophobicContact CE1-CB 4.44Å; F149-L153 VanDerWaalsContact O-CB 3.24Å; F149-L153 WeakPolarHBondContact O-CB 3.06Å; F149-L153 PolarHBondContact O-N 3.04Å; T150-L153 WeakPolarHBondContact O-CB 3.33Å; T150-L153 PolarHBondContact O-N 3.46Å; T150-L153 VanDerWaalsContact O-N 3.17Å; S151-L153 VanDerWaalsContact C-N 3.33Å; S151-L153 PolarHBondContact O-N 3.23Å; L153-R156 PolarHBondContact O-N 2.83Å; L153-L157 HydrophobicContact CD1-CD1 4.06Å; L153-L157 HydrophobicContact CD1-CD2 4.44Å; L153-L157 HydrophobicContact CD1-CG 3.96Å; L153-L157 HydrophobicContact CD2-CD1 4.42Å; L153-L157 HydrophobicContact CG-CD1 3.85Å; L153-L157 HydrophobicContact CG-CG 4.18Å; L153-L157 WeakPolarHBondContact O-CB 3.44Å; L153-L157 VanDerWaalsContact O-CG 3.27Å; L153-L157 WeakPolarHBondContact O-CG 3.49Å; L153-L157 PolarHBondContact O-N 2.79Å
154M96.3Very high95.3Very high0 Ų036.8 Ų36.80%019%0.19CC..Hα-helixtrans-63.7-41.9-179.6-78.9-67.3-89.200112.8I137 T150 S151 L157 S158 K166 E168 T194 H197I137-M154 HydrophobicContact CD1-CE 4.35Å; I137-M154 HydrophobicContact CD1-CG 4.15Å; I137-M154 HydrophobicContact CD1-SD 3.11Å; I137-M154 WeakPolarHBondContact CD1-SD 3.34Å; T150-M154 HydrophobicContact CG2-CG 4.25Å; T150-M154 WeakPolarHBondContact O-CB 3.38Å; T150-M154 VanDerWaalsContact O-CG 3.3Å; T150-M154 WeakPolarHBondContact O-CG 3.4Å; T150-M154 PolarHBondContact O-N 3.33Å; S151-M154 PolarHBondContact O-N 2.81Å; M154-L157 PolarHBondContact O-N 3.35Å; M154-S158 WeakPolarHBondContact O-CB 3.38Å; M154-S158 PolarHBondContact O-N 2.69Å; M154-S158 PolarHBondContact O-OG 2.9Å; M154-K166 HydrophobicContact CE-CB 3.97Å; M154-K166 HydrophobicContact CE-CD 4.36Å; M154-K166 HydrophobicContact SD-CB 4.21Å; M154-K166 HydrophobicContact SD-CD 4.11Å; M154-K166 HydrophobicContact SD-CG 4.46Å; M154-E168 HydrophobicContact CE-CG 4.23Å; M154-T194 HydrophobicContact CB-CG2 4.23Å; M154-T194 HydrophobicContact CG-CG2 4.11Å; M154-H197 HydrophobicContact CB-CB 3.99Å; M154-H197 HydrophobicContact CE-CB 4.12Å; M154-H197 VanDerWaalsContact CE-O 3.32Å; M154-H197 WeakPolarHBondContact CE-O 3.2Å
155E95.8Very high95.3Very high52 Ų5237.2 Ų37.224%0.24319%0.192CC..Hα-helixtrans-57.1-50171.9-73.5171.3-164.300111H107 S151 S158 V159 H197H107-E155 IonicContact CE1-OE1 3.9Å; H107-E155 PolarHBondContact CE1-OE1 2.79Å; H107-E155 VanDerWaalsContact CE1-OE1 3.26Å; H107-E155 IonicContact CE1-OE2 3.35Å; H107-E155 IonicContact NE2-OE1 2.72Å; S151-E155 WeakPolarHBondContact O-CG 3.22Å; S151-E155 PolarHBondContact O-N 3.32Å; S151-E155 VanDerWaalsContact O-N 3.11Å; E155-S158 PolarHBondContact O-N 3.43Å; E155-V159 WeakPolarHBondContact O-CG2 3.26Å; E155-V159 PolarHBondContact O-N 2.91Å; E155-V159 VanDerWaalsContact O-N 3.09Å; E155-H197 WeakPolarHBondContact CG-NE2 3.46Å
156R96.5Very high95.2Very high117 Ų11737 Ų3744%0.44219%0.19SC..Hα-helixtrans-68-40.2-177.6-63.2-65.5176.2-167.7-4.4112.6I115 L119 L152 L153 S158 V159 D160I115-R156 HydrophobicContact CD1-CG 4.41Å; I115-R156 HydrophobicContact CG1-CG 4.09Å; L119-R156 HydrophobicContact CD1-CB 3.78Å; L119-R156 HydrophobicContact CD1-CG 4.05Å; L119-R156 HydrophobicContact CD2-CB 3.9Å; L119-R156 HydrophobicContact CG-CB 4.41Å; L152-R156 VanDerWaalsContact O-CG 3.26Å; L152-R156 WeakPolarHBondContact O-CG 3.49Å; L152-R156 PolarHBondContact O-N 2.92Å; L153-R156 PolarHBondContact O-N 2.83Å; R156-S158 VanDerWaalsContact C-N 3.28Å; R156-S158 PolarHBondContact O-N 3.1Å; R156-V159 PolarHBondContact O-N 2.8Å; R156-D160 PolarHBondContact O-N 2.76Å
157L95.9Very high95.1Very high0 Ų037.1 Ų37.10%019%0.191CC..Hα-helixtrans-64.2-34.6174.4-72177.6000111.6M7 L119 T122 F135 I137 L153 M154 V159 Y161 K166M7-L157 HydrophobicContact SD-CD1 3.89Å; L119-L157 HydrophobicContact CD2-CD2 4.36Å; T122-L157 HydrophobicContact CG2-CD2 4.09Å; F135-L157 HydrophobicContact CD2-CD1 4.35Å; F135-L157 HydrophobicContact CE1-CD2 4.22Å; F135-L157 HydrophobicContact CE2-CD2 4.16Å; F135-L157 HydrophobicContact CG-CD1 4.25Å; F135-L157 HydrophobicContact CZ-CD2 3.99Å; I137-L157 HydrophobicContact CD1-CD1 4.03Å; L153-L157 HydrophobicContact CD1-CD1 4.06Å; L153-L157 HydrophobicContact CD1-CD2 4.44Å; L153-L157 HydrophobicContact CD1-CG 3.96Å; L153-L157 HydrophobicContact CD2-CD1 4.42Å; L153-L157 HydrophobicContact CG-CD1 3.85Å; L153-L157 HydrophobicContact CG-CG 4.18Å; L153-L157 WeakPolarHBondContact O-CB 3.44Å; L153-L157 VanDerWaalsContact O-CG 3.27Å; L153-L157 WeakPolarHBondContact O-CG 3.49Å; L153-L157 PolarHBondContact O-N 2.79Å; M154-L157 PolarHBondContact O-N 3.35Å; L157-V159 VanDerWaalsContact C-N 3.35Å; L157-Y161 HydrophobicContact CD2-CD2 3.94Å; L157-Y161 HydrophobicContact CD2-CE2 4.28Å; L157-Y161 CarbonylContact O-C 3.5Å; L157-Y161 VanDerWaalsContact O-CA 3.24Å; L157-Y161 WeakPolarHBondContact O-CA 3.44Å; L157-Y161 VanDerWaalsContact O-CB 3.31Å; L157-Y161 WeakPolarHBondContact O-CB 3.34Å; L157-Y161 PolarHBondContact O-N 3.04Å; L157-K166 HydrophobicContact CB-CD 4.3Å
158S95.4Very high95.1Very high26 Ų2637.1 Ų37.118%0.18219%0.191CC..Hα-helixtrans-69.6-33.2176.2-62.30000112.3M154 E155 R156 G162 K166 H197M154-S158 WeakPolarHBondContact O-CB 3.38Å; M154-S158 PolarHBondContact O-N 2.69Å; M154-S158 PolarHBondContact O-OG 2.9Å; E155-S158 PolarHBondContact O-N 3.43Å; R156-S158 VanDerWaalsContact C-N 3.28Å; R156-S158 PolarHBondContact O-N 3.1Å; S158-G162 WeakPolarHBondContact O-CA 3.38Å; S158-G162 PolarHBondContact O-N 2.96Å; S158-G162 VanDerWaalsContact O-N 3.12Å; S158-K166 WeakPolarHBondContact OG-CE 3.33Å; S158-H197 PolarHBondContact OG-ND1 3.05Å
159V96.1Very high95Very high113 Ų11337.2 Ų37.269%0.68519%0.191SC*.Hα-helixtrans-69.2-51.5173174.30000111.5E155 R156 L157E155-V159 WeakPolarHBondContact O-CG2 3.26Å; E155-V159 PolarHBondContact O-N 2.91Å; E155-V159 VanDerWaalsContact O-N 3.09Å; R156-V159 PolarHBondContact O-N 2.8Å; L157-V159 VanDerWaalsContact C-N 3.35Å
160D94.8Very high94.8Very high72 Ų7237.2 Ų37.239%0.38519%0.191SC..Hα-helixtrans-77.1-33.7-174.7-81.814.7000112.4R123 R156R123-D160 IonicContact NH2-OD2 3.59Å; R123-D160 PolarHBondContact NH2-OD2 2.65Å; R156-D160 PolarHBondContact O-N 2.76Å
161Y94.4Very high94.6Very high37 Ų3737.7 Ų37.715%0.14519%0.194CC..SBendtrans-130.639.3-171.4-57.9-80.9000113.3T122 R123 A126 L132 F135 L157 K163 K164T122-Y161 HydrophobicContact CG2-CE2 4.46Å; R123-Y161 WeakPolarHBondContact CA-OH 3.45Å; A126-Y161 HydrophobicContact CB-CE1 3.98Å; L132-Y161 HydrophobicContact CD2-CD1 4.49Å; F135-Y161 AromaticContact CE2-CD2 3.96Å; F135-Y161 HydrophobicContact CE2-CD2 3.96Å; F135-Y161 AromaticContact CE2-CG 3.84Å; F135-Y161 HydrophobicContact CE2-CG 3.84Å; F135-Y161 HydrophobicContact CZ-CD1 4.25Å; F135-Y161 AromaticContact CZ-CD2 3.69Å; F135-Y161 HydrophobicContact CZ-CD2 3.69Å; F135-Y161 HydrophobicContact CZ-CE2 4.05Å; F135-Y161 AromaticContact CZ-CG 3.81Å; F135-Y161 HydrophobicContact CZ-CG 3.81Å; L157-Y161 HydrophobicContact CD2-CD2 3.94Å; L157-Y161 HydrophobicContact CD2-CE2 4.28Å; L157-Y161 CarbonylContact O-C 3.5Å; L157-Y161 VanDerWaalsContact O-CA 3.24Å; L157-Y161 WeakPolarHBondContact O-CA 3.44Å; L157-Y161 VanDerWaalsContact O-CB 3.31Å; L157-Y161 WeakPolarHBondContact O-CB 3.34Å; L157-Y161 PolarHBondContact O-N 3.04Å; Y161-K163 PolarHBondContact O-N 3.19Å; Y161-K164 HydrophobicContact CD1-CG 4.42Å; Y161-K164 WeakPolarHBondContact O-CB 3.47Å; Y161-K164 PolarHBondContact O-N 3.2Å
162G90.1Very high94.2Very high53 Ų5337.9 Ų37.955%0.54620%0.195SC..THydrogen-bonded Turntrans-55.4-22.5-171.900000117.3S158S158-G162 WeakPolarHBondContact O-CA 3.38Å; S158-G162 PolarHBondContact O-N 2.96Å; S158-G162 VanDerWaalsContact O-N 3.12Å
163K90.4Very high93.6Very high209 Ų20938.2 Ų38.291%0.90920%0.197SC*.THydrogen-bonded Turntrans-88.8-4.5176.4-65.1-174179.4-178.80114.5Y161Y161-K163 PolarHBondContact O-N 3.19Å
164K92.9Very high92.5Very high74 Ų7438.3 Ų38.332%0.32220%0.198SC..SBendtrans-95.1139.7-175.8-57.6-56.9-174.8177.30109.9L132 F135 Y161 K166L132-K164 WeakPolarHBondContact O-CD 3.43Å; L132-K164 WeakPolarHBondContact O-CE 3.36Å; L132-K164 PolarHBondContact O-NZ 2.94Å; F135-K164 HydrophobicContact CE2-CB 4.27Å; Y161-K164 HydrophobicContact CD1-CG 4.42Å; Y161-K164 WeakPolarHBondContact O-CB 3.47Å; Y161-K164 PolarHBondContact O-N 3.2Å; K164-K166 PolarHBondContact O-NZ 3.21Å
165S92.5Very high91Very high10 Ų1042.1 Ų42.17%0.0722%0.222CC..EExtended strand (participates in β ladder)trans-69.7141.5-179.7-61.50000110.8Q133 G134 F135 D199Q133-S165 PolarHBondContact O-N 3.43Å; G134-S165 CarbonylContact C-O 3.56Å; G134-S165 WeakPolarHBondContact CA-O 3.43Å; F135-S165 PolarHBondContact N-O 3.21Å; S165-D199 WeakPolarHBondContact CA-OD2 3.3Å
166K94.8Very high89.4Confident8 Ų845.6 Ų45.64%0.03524%0.239CC..EExtended strand (participates in β ladder)trans-126.3116.2177.3-65.2161-64.8-69.40107.9F135 M154 L157 S158 K164 H197 D199F135-K166 HydrophobicContact CD2-CG 4.11Å; M154-K166 HydrophobicContact CE-CB 3.97Å; M154-K166 HydrophobicContact CE-CD 4.36Å; M154-K166 HydrophobicContact SD-CB 4.21Å; M154-K166 HydrophobicContact SD-CD 4.11Å; M154-K166 HydrophobicContact SD-CG 4.46Å; L157-K166 HydrophobicContact CB-CD 4.3Å; S158-K166 WeakPolarHBondContact OG-CE 3.33Å; K164-K166 PolarHBondContact O-NZ 3.21Å; K166-H197 WeakPolarHBondContact CE-O 3.39Å; K166-D199 PolarHBondContact N-OD2 3.29Å; K166-D199 IonicContact NZ-OD2 2.87Å; K166-D199 WeakPolarHBondContact O-CB 3.34Å; K166-D199 PolarHBondContact O-N 3.32Å
167L93.9Very high88Confident4 Ų441.5 Ų41.52%0.02123%0.227CC..EExtended strand (participates in β ladder)trans-114.2136.7178.8-72.4142.2000109.6F135 L136 I137 C200 F202 L252 F255F135-L167 PolarHBondContact O-N 3.45Å; L136-L167 CarbonylContact C-O 3.49Å; L136-L167 WeakPolarHBondContact CA-O 3.34Å; L136-L167 HydrophobicContact CD2-CB 3.86Å; L136-L167 HydrophobicContact CD2-CD1 3.82Å; I137-L167 PolarHBondContact N-O 3.11Å; L167-C200 CarbonylContact C-O 3.39Å; L167-C200 VanDerWaalsContact CA-O 3.25Å; L167-C200 WeakPolarHBondContact CA-O 3.38Å; L167-C200 HydrophobicContact CD2-CB 3.48Å; L167-C200 VanDerWaalsContact CD2-CB 3.48Å; L167-F202 HydrophobicContact CD2-CE2 3.8Å; L167-F202 HydrophobicContact CD2-CZ 4.28Å; L167-L252 HydrophobicContact CD1-CB 3.96Å; L167-L252 HydrophobicContact CD1-CD1 4.14Å; L167-L252 HydrophobicContact CD1-CD2 3.47Å; L167-L252 VanDerWaalsContact CD1-CD2 3.47Å; L167-L252 HydrophobicContact CD1-CG 4.04Å; L167-F255 HydrophobicContact CD2-CB 4.43Å
168E95.1Very high86.7Confident0 Ų043.6 Ų43.60%024%0.241CC..EExtended strand (participates in β ladder)trans-109.1143.5-178.9-67.4172.8128.500111.4I137 H139 M154 S198 C200 A201 F202I137-E168 HydrophobicContact CB-CG 4.31Å; I137-E168 CarbonylContact O-C 3.46Å; I137-E168 WeakPolarHBondContact O-CA 3.22Å; H139-E168 IonicContact NE2-OE1 2.65Å; M154-E168 HydrophobicContact CE-CG 4.23Å; E168-S198 VanDerWaalsContact CD-OG 3.31Å; E168-S198 WeakPolarHBondContact OE2-CB 3.33Å; E168-S198 PolarHBondContact OE2-OG 2.88Å; E168-C200 PolarHBondContact N-O 3.45Å; E168-A201 HydrophobicContact CB-CB 3.93Å; E168-F202 WeakPolarHBondContact O-CD2 3.34Å; E168-F202 PolarHBondContact O-N 3.14Å
169F94.9Very high85.7Confident3 Ų347.8 Ų47.81%0.01327%0.266CS..EExtended strand (participates in β ladder)trans-11794.9164.4-68.6-83.5000106.6L136 I137 F138 H139 F202 V235 I238L136-F169 HydrophobicContact CD2-CE2 4.43Å; I137-F169 PolarHBondContact O-N 3.24Å; F138-F169 HydrophobicContact CD1-CB 3.49Å; F138-F169 VanDerWaalsContact CD1-CB 3.49Å; F138-F169 AromaticContact CD1-CD2 3.71Å; F138-F169 HydrophobicContact CD1-CD2 3.71Å; F138-F169 AromaticContact CD1-CG 3.78Å; F138-F169 HydrophobicContact CD1-CG 3.78Å; F138-F169 HydrophobicContact CE1-CB 3.81Å; F138-F169 HydrophobicContact CE1-CD1 4.36Å; F138-F169 AromaticContact CE1-CD2 3.2Å; F138-F169 HydrophobicContact CE1-CD2 3.2Å; F138-F169 AromaticContact CE1-CE2 3.8Å; F138-F169 HydrophobicContact CE1-CE2 3.8Å; F138-F169 AromaticContact CE1-CG 3.53Å; F138-F169 HydrophobicContact CE1-CG 3.53Å; F138-F169 HydrophobicContact CE2-CD2 4.16Å; F138-F169 HydrophobicContact CG-CB 4.25Å; F138-F169 HydrophobicContact CG-CD2 4.37Å; F138-F169 AromaticContact CZ-CD2 3.47Å; F138-F169 HydrophobicContact CZ-CD2 3.47Å; F138-F169 VanDerWaalsContact CZ-CD2 3.47Å; F138-F169 AromaticContact CZ-CE2 3.73Å; F138-F169 HydrophobicContact CZ-CE2 3.73Å; F138-F169 HydrophobicContact CZ-CG 4.27Å; H139-F169 PolarHBondContact N-O 3.43Å; H139-F169 VanDerWaalsContact N-O 3.11Å; F169-F202 HydrophobicContact CD1-CB 3.83Å; F169-F202 AromaticContact CD1-CD2 3.92Å; F169-F202 HydrophobicContact CD1-CD2 3.92Å; F169-F202 HydrophobicContact CD1-CG 4.22Å; F169-F202 HydrophobicContact CE1-CB 4.07Å; F169-F202 AromaticContact CE1-CD2 3.48Å; F169-F202 HydrophobicContact CE1-CD2 3.48Å; F169-F202 VanDerWaalsContact CE1-CD2 3.48Å; F169-F202 HydrophobicContact CE1-CE2 4.19Å; F169-F202 AromaticContact CE1-CG 3.96Å; F169-F202 HydrophobicContact CE1-CG 3.96Å; F169-F202 HydrophobicContact CE2-CD2 4.37Å; F169-F202 AromaticContact CZ-CD2 3.74Å; F169-F202 HydrophobicContact CZ-CD2 3.74Å; F169-F202 HydrophobicContact CZ-CE2 4.09Å; F169-V235 HydrophobicContact CD1-CG2 3.83Å; F169-V235 HydrophobicContact CE1-CB 4.49Å; F169-V235 HydrophobicContact CE1-CG1 4.44Å; F169-V235 HydrophobicContact CE1-CG2 3.9Å; F169-V235 HydrophobicContact CE2-CG1 4.48Å; F169-V235 HydrophobicContact CG-CG2 4.36Å; F169-V235 HydrophobicContact CZ-CG1 4.23Å; F169-V235 HydrophobicContact CZ-CG2 4.49Å; F169-I238 HydrophobicContact CE1-CD1 3.79Å; F169-I238 HydrophobicContact CZ-CD1 4.47Å; F169-I238 HydrophobicContact CZ-CG2 4.16Å
170A93.3Very high85.1Confident0 Ų042.9 Ų42.90%024%0.237CC..EExtended strand (participates in β ladder)trans-104.4119.3-169.500000110.7H139 F141 Y172 F202 V204H139-A170 WeakPolarHBondContact NE2-CB 3.48Å; F141-A170 HydrophobicContact CD1-CB 4.07Å; F141-A170 HydrophobicContact CD2-CB 4.41Å; F141-A170 HydrophobicContact CE1-CB 3.52Å; F141-A170 HydrophobicContact CE2-CB 3.89Å; F141-A170 HydrophobicContact CG-CB 4.5Å; F141-A170 HydrophobicContact CZ-CB 3.42Å; F141-A170 VanDerWaalsContact CZ-CB 3.42Å; A170-Y172 PolarHBondContact O-N 3.2Å; A170-F202 PolarHBondContact N-O 3.12Å; A170-V204 PolarHBondContact O-N 3.44Å
171V92.3Very high84.8Confident9 Ų944.4 Ų44.46%0.05525%0.249CC..EExtended strand (participates in β ladder)trans-76.9111.6174-176.70000109.5M16 H139 F141 V204 N206M16-V171 HydrophobicContact CE-CG2 3.99Å; M16-V171 HydrophobicContact SD-CG2 3.31Å; M16-V171 WeakPolarHBondContact SD-CG2 3.18Å; H139-V171 PolarHBondContact O-N 3.45Å; F141-V171 PolarHBondContact N-O 3.49Å; V171-V204 CarbonylContact C-O 3.53Å; V171-V204 WeakPolarHBondContact CA-O 3.12Å; V171-N206 WeakPolarHBondContact CG1-ND2 3.44Å; V171-N206 WeakPolarHBondContact CG1-OD1 3.46Å
172Y89.6Confident84.8Confident5 Ų543.6 Ų43.62%0.0225%0.248CC..EExtended strand (participates in β ladder)trans-76135.4175.6179.2-84.9000110.5F141 A170 M203 V204 D205 A387 L391F141-Y172 HydrophobicContact CD2-CD2 4.41Å; A170-Y172 PolarHBondContact O-N 3.2Å; Y172-M203 HydrophobicContact CD2-CE 3.54Å; Y172-M203 HydrophobicContact CE2-CE 4.08Å; Y172-M203 HydrophobicContact CG-CE 4.17Å; Y172-V204 PolarHBondContact N-O 2.98Å; Y172-D205 HydrophobicContact CD1-CB 4.28Å; Y172-A387 HydrophobicContact CE2-CB 4.11Å; Y172-A387 PolarHBondContact OH-O 3.22Å; Y172-L391 HydrophobicContact CD2-CD1 3.96Å; Y172-L391 HydrophobicContact CE2-CD1 3.29Å; Y172-L391 HydrophobicContact CE2-CD2 4.28Å; Y172-L391 HydrophobicContact CE2-CG 3.59Å
173P83.5Confident85Confident11 Ų1141.9 Ų41.97%0.07123%0.226CC..  trans-74.6130.6-174.831.4-37000112E183 S187 L391P173-E183 HydrophobicContact CB-CB 4.03Å; P173-E183 WeakPolarHBondContact CB-OE2 3.47Å; P173-S187 WeakPolarHBondContact CG-OG 3.44Å; P173-L391 HydrophobicContact CG-CD2 3.82Å
174A73.6Confident85.1Confident2 Ų232.5 Ų32.52%0.01719%0.186CC..  trans-109.3126.8177.900000110.6Q176 V177 S178 N206 E207A174-Q176 PolarHBondContact O-N 3.17Å; A174-V177 HydrophobicContact CB-CG2 4.39Å; A174-V177 CarbonylContact O-C 3.38Å; A174-V177 PolarHBondContact O-N 3.29Å; A174-S178 WeakPolarHBondContact O-CA 3.38Å; A174-S178 WeakPolarHBondContact O-CB 3.43Å; A174-S178 PolarHBondContact O-N 3.32Å; A174-N206 HydrophobicContact CB-CB 3.83Å; A174-E207 HydrophobicContact CB-CB 3.64Å; A174-E207 HydrophobicContact CB-CG 4.4Å
175P64.9Low85.3Confident79 Ų7929 Ų2951%0.51317%0.171SC..THydrogen-bonded Turntrans-59.3-23.8-176.619.3-28.4000114.6
176Q63.3Low85.5Confident125 Ų12528.5 Ų28.558%0.58417%0.168SC*.THydrogen-bonded Turntrans-77.9-26.1178.5-58.2-176.318.600113.6A174 E207A174-Q176 PolarHBondContact O-N 3.17Å; Q176-E207 HydrophobicContact CG-CG 4.42Å; Q176-E207 PolarHBondContact NE2-OE1 3.25Å
177V66.3Low85.5Confident31 Ų3128.1 Ų28.119%0.18817%0.166CC..THydrogen-bonded Turntrans-116.9-1.3-175-155.70000111.3A174 T179 N206 Y210 Y224A174-V177 HydrophobicContact CB-CG2 4.39Å; A174-V177 CarbonylContact O-C 3.38Å; A174-V177 PolarHBondContact O-N 3.29Å; V177-T179 PolarHBondContact O-N 2.88Å; V177-N206 HydrophobicContact CG2-CB 4.48Å; V177-Y210 HydrophobicContact CG2-CD2 4.46Å; V177-Y224 HydrophobicContact CG1-CE1 4.14Å
178S69.1Low85.6Confident44 Ų4428 Ų2831%0.30817%0.165SC..  trans-66.2126.6-179.8179.60000110.4A174 A180 E183A174-S178 WeakPolarHBondContact O-CA 3.38Å; A174-S178 WeakPolarHBondContact O-CB 3.43Å; A174-S178 PolarHBondContact O-N 3.32Å; S178-A180 PolarHBondContact OG-O 2.84Å; S178-A180 VanDerWaalsContact OG-O 3.13Å; S178-E183 VanDerWaalsContact CB-OE2 3.27Å; S178-E183 WeakPolarHBondContact CB-OE2 3.19Å; S178-E183 PolarHBondContact OG-OE1 3.19Å; S178-E183 PolarHBondContact OG-OE2 3.43Å
179T73Confident85.7Confident115 Ų11528.1 Ų28.171%0.70617%0.166SC*.  trans-98.2-13.2176.850.70000112.1V177 E183V177-T179 PolarHBondContact O-N 2.88Å; T179-E183 PolarHBondContact N-OE1 3.31Å; T179-E183 VanDerWaalsContact N-OE1 3.15Å
180A84Confident85.8Confident9 Ų928 Ų287%0.07417%0.165CC..  trans-126.7131.5-176.500000113N101 S178 V182 E183N101-A180 HydrophobicContact CB-CB 3.78Å; S178-A180 PolarHBondContact OG-O 2.84Å; S178-A180 VanDerWaalsContact OG-O 3.13Å; A180-V182 PolarHBondContact O-N 2.74Å; A180-E183 HydrophobicContact CB-CG 3.77Å; A180-E183 PolarHBondContact N-OE1 2.97Å; A180-E183 VanDerWaalsContact N-OE1 3.08Å; A180-E183 WeakPolarHBondContact O-CG 3.19Å; A180-E183 PolarHBondContact O-N 3.14Å
181V90Very high85.9Confident104 Ų10428 Ų2863%0.6317%0.165SC*.THydrogen-bonded Turntrans-66.8-28.9179.5-179.20000111.9P184 F404V181-P184 WeakPolarHBondContact O-CD 3.41Å; V181-F404 HydrophobicContact CG1-CE2 3.9Å; V181-F404 HydrophobicContact CG1-CZ 4.26Å
182V94.1Very high86.1Confident21 Ų2130 Ų3013%0.12717%0.174CC..THydrogen-bonded Turntrans-91.48.1-175.1-60.50000113.9N101 A180 P184 Y185 N186 F404 Y408N101-V182 HydrophobicContact CB-CG2 4.3Å; N101-V182 WeakPolarHBondContact O-CG2 3.39Å; A180-V182 PolarHBondContact O-N 2.74Å; V182-P184 VanDerWaalsContact C-N 3.3Å; V182-Y185 HydrophobicContact CB-CD2 4.45Å; V182-Y185 WeakPolarHBondContact O-CB 3.37Å; V182-Y185 PolarHBondContact O-N 2.89Å; V182-N186 PolarHBondContact O-N 2.87Å; V182-F404 HydrophobicContact CG1-CB 3.67Å; V182-F404 HydrophobicContact CG1-CD1 4.22Å; V182-F404 HydrophobicContact CG1-CD2 3.96Å; V182-F404 HydrophobicContact CG1-CG 3.69Å; V182-Y408 WeakPolarHBondContact CB-OH 3.3Å
183E92.6Very high86.3Confident16 Ų1631 Ų318%0.07518%0.181CC..Hα-helixtrans-53.1-38.3177.2-70.8176-16600113.9P173 S178 T179 A180 Y185 N186 S187P173-E183 HydrophobicContact CB-CB 4.03Å; P173-E183 WeakPolarHBondContact CB-OE2 3.47Å; S178-E183 VanDerWaalsContact CB-OE2 3.27Å; S178-E183 WeakPolarHBondContact CB-OE2 3.19Å; S178-E183 PolarHBondContact OG-OE1 3.19Å; S178-E183 PolarHBondContact OG-OE2 3.43Å; T179-E183 PolarHBondContact N-OE1 3.31Å; T179-E183 VanDerWaalsContact N-OE1 3.15Å; A180-E183 HydrophobicContact CB-CG 3.77Å; A180-E183 PolarHBondContact N-OE1 2.97Å; A180-E183 VanDerWaalsContact N-OE1 3.08Å; A180-E183 WeakPolarHBondContact O-CG 3.19Å; A180-E183 PolarHBondContact O-N 3.14Å; E183-Y185 VanDerWaalsContact C-N 3.31Å; E183-Y185 PolarHBondContact O-N 2.82Å; E183-N186 PolarHBondContact O-N 3.3Å; E183-S187 WeakPolarHBondContact O-CB 3.43Å; E183-S187 PolarHBondContact O-N 3Å; E183-S187 PolarHBondContact O-OG 2.83Å
184P94.5Very high86.9Confident13 Ų1330.6 Ų30.68%0.08418%0.178CC..Hα-helixtrans-61-36.9175.7-22.732.6000113.4V181 V182 I188 K394 M398V181-P184 WeakPolarHBondContact O-CD 3.41Å; V182-P184 VanDerWaalsContact C-N 3.3Å; P184-I188 VanDerWaalsContact O-CG1 3.26Å; P184-I188 WeakPolarHBondContact O-CG1 3.38Å; P184-I188 PolarHBondContact O-N 2.85Å; P184-I188 VanDerWaalsContact O-N 3.16Å; P184-K394 HydrophobicContact CB-CB 3.98Å; P184-K394 HydrophobicContact CG-CB 3.81Å; P184-K394 HydrophobicContact CG-CD 4.13Å; P184-M398 HydrophobicContact CB-CE 3.58Å; P184-M398 HydrophobicContact CG-CE 3.61Å
185Y96.3Very high87.8Confident0 Ų030.8 Ų30.80%018%0.178CC..Hα-helixtrans-65-49.6175-71.9-18.6000111.6V182 E183 S187 I188 L189 F395 M398 Y399 A403 F404 V405 Y408 F418V182-Y185 HydrophobicContact CB-CD2 4.45Å; V182-Y185 WeakPolarHBondContact O-CB 3.37Å; V182-Y185 PolarHBondContact O-N 2.89Å; E183-Y185 VanDerWaalsContact C-N 3.31Å; E183-Y185 PolarHBondContact O-N 2.82Å; Y185-S187 PolarHBondContact O-N 3.2Å; Y185-I188 PolarHBondContact O-N 3.16Å; Y185-L189 WeakPolarHBondContact O-CB 3.49Å; Y185-L189 VanDerWaalsContact O-CG 3.24Å; Y185-L189 WeakPolarHBondContact O-CG 3.39Å; Y185-L189 PolarHBondContact O-N 3.35Å; Y185-F395 AromaticContact CD1-CD2 3.46Å; Y185-F395 HydrophobicContact CD1-CD2 3.46Å; Y185-F395 VanDerWaalsContact CD1-CD2 3.46Å; Y185-F395 AromaticContact CD1-CE2 3.58Å; Y185-F395 HydrophobicContact CD1-CE2 3.58Å; Y185-F395 HydrophobicContact CD1-CG 4.21Å; Y185-F395 HydrophobicContact CD1-CZ 4.42Å; Y185-F395 AromaticContact CE1-CD2 3.99Å; Y185-F395 HydrophobicContact CE1-CD2 3.99Å; Y185-F395 HydrophobicContact CE1-CE2 4.05Å; Y185-F395 HydrophobicContact CE1-CG 4.37Å; Y185-F395 HydrophobicContact CE1-CZ 4.5Å; Y185-M398 HydrophobicContact CD1-CE 3.92Å; Y185-M398 HydrophobicContact CE1-CB 3.89Å; Y185-M398 HydrophobicContact CE1-CE 3.94Å; Y185-M398 HydrophobicContact CG-CE 4.28Å; Y185-M398 WeakPolarHBondContact OH-CB 3.09Å; Y185-M398 PolarHBondContact OH-O 2.96Å; Y185-Y399 VanDerWaalsContact OH-CA 3.3Å; Y185-Y399 WeakPolarHBondContact OH-CA 3.25Å; Y185-Y399 PolarHBondContact OH-N 3.39Å; Y185-Y399 VanDerWaalsContact OH-N 3.17Å; Y185-A403 WeakPolarHBondContact CE2-O 3.37Å; Y185-A403 PolarHBondContact OH-O 2.76Å; Y185-F404 HydrophobicContact CE2-CB 4.29Å; Y185-V405 HydrophobicContact CE2-CG2 4.37Å; Y185-Y408 AromaticContact CD2-CE2 3.77Å; Y185-Y408 HydrophobicContact CD2-CE2 3.77Å; Y185-F418 HydrophobicContact CD1-CD1 4.38Å; Y185-F418 AromaticContact CD1-CE1 4Å; Y185-F418 HydrophobicContact CD1-CE1 4Å; Y185-F418 AromaticContact CD2-CE1 3.93Å; Y185-F418 HydrophobicContact CD2-CE1 3.93Å; Y185-F418 HydrophobicContact CD2-CZ 4.44Å; Y185-F418 HydrophobicContact CE1-CE1 4.4Å; Y185-F418 HydrophobicContact CE2-CE1 4.32Å; Y185-F418 AromaticContact CG-CE1 3.74Å; Y185-F418 HydrophobicContact CG-CE1 3.74Å
186N96.1Very high89.1Confident0 Ų035 Ų350%019%0.191CC..Hα-helixtrans-59.2-39.1179.8-64.5-17.1000111.6N101 Y103 F141 G142 V182 E183 T190 Y408N101-N186 PolarHBondContact O-ND2 3.46Å; Y103-N186 WeakPolarHBondContact CB-OD1 3.3Å; Y103-N186 PolarHBondContact N-OD1 3.32Å; Y103-N186 VanDerWaalsContact N-OD1 3.14Å; F141-N186 CarbonylContact O-C 3.52Å; F141-N186 VanDerWaalsContact O-CB 3.3Å; F141-N186 WeakPolarHBondContact O-CB 3.41Å; G142-N186 PolarHBondContact O-ND2 3.47Å; V182-N186 PolarHBondContact O-N 2.87Å; E183-N186 PolarHBondContact O-N 3.3Å; N186-T190 WeakPolarHBondContact O-CB 3.25Å; N186-T190 WeakPolarHBondContact O-CG2 3.44Å; N186-T190 PolarHBondContact O-N 2.93Å; N186-Y408 WeakPolarHBondContact OD1-CE1 3.39Å; N186-Y408 PolarHBondContact OD1-OH 3Å
187S95Very high90.6Very high0 Ų031.1 Ų31.10%017%0.173CC..Hα-helixtrans-66.5-43-179.2-54.10000112.5F141 P173 E183 Y185 T190 T191F141-S187 WeakPolarHBondContact CB-OG 3.44Å; F141-S187 PolarHBondContact O-N 3.43Å; P173-S187 WeakPolarHBondContact CG-OG 3.44Å; E183-S187 WeakPolarHBondContact O-CB 3.43Å; E183-S187 PolarHBondContact O-N 3Å; E183-S187 PolarHBondContact O-OG 2.83Å; Y185-S187 PolarHBondContact O-N 3.2Å; S187-T190 WeakPolarHBondContact O-CG2 3.31Å; S187-T191 VanDerWaalsContact O-CB 3.32Å; S187-T191 WeakPolarHBondContact O-CB 3.42Å; S187-T191 PolarHBondContact O-N 3.45Å; S187-T191 PolarHBondContact O-OG1 3.05Å
188I96Very high91.9Very high0 Ų030 Ų300%017%0.167CC..Hα-helixtrans-69.3-45.2178.8-64.8-64.7000110.8P184 Y185 T190 T191 H192 L391 D392 F395 A421 M425P184-I188 VanDerWaalsContact O-CG1 3.26Å; P184-I188 WeakPolarHBondContact O-CG1 3.38Å; P184-I188 PolarHBondContact O-N 2.85Å; P184-I188 VanDerWaalsContact O-N 3.16Å; Y185-I188 PolarHBondContact O-N 3.16Å; I188-T190 PolarHBondContact O-N 3.25Å; I188-T191 PolarHBondContact O-N 3.34Å; I188-H192 WeakPolarHBondContact O-CB 3.23Å; I188-H192 PolarHBondContact O-N 2.82Å; I188-L391 HydrophobicContact CD1-CB 4.23Å; I188-D392 WeakPolarHBondContact CD1-OD1 3.27Å; I188-F395 HydrophobicContact CB-CD2 3.8Å; I188-F395 HydrophobicContact CB-CE2 4.05Å; I188-F395 HydrophobicContact CG1-CB 4.16Å; I188-F395 HydrophobicContact CG1-CD2 3.65Å; I188-F395 HydrophobicContact CG1-CE2 4.39Å; I188-F395 HydrophobicContact CG1-CG 4.14Å; I188-F395 HydrophobicContact CG2-CD2 4.02Å; I188-F395 HydrophobicContact CG2-CE2 3.92Å; I188-A421 HydrophobicContact CG2-CB 3.93Å; I188-M425 HydrophobicContact CD1-CB 4.38Å; I188-M425 HydrophobicContact CD1-CE 4.33Å; I188-M425 HydrophobicContact CD1-CG 3.81Å; I188-M425 HydrophobicContact CG2-CG 3.94Å
189L96.9Very high93Very high4 Ų429.4 Ų29.42%0.02116%0.16CC..Hα-helixtrans-64.5-42.2-179.7-66.1171.2000112.6Y103 Y185 T193 Y408 M413 F418 A421Y103-L189 HydrophobicContact CD1-CB 3.92Å; Y103-L189 HydrophobicContact CD1-CD1 3.76Å; Y103-L189 HydrophobicContact CD1-CG 4.42Å; Y103-L189 HydrophobicContact CD2-CB 3.85Å; Y103-L189 HydrophobicContact CE1-CB 4.04Å; Y103-L189 HydrophobicContact CE1-CD1 4.5Å; Y103-L189 HydrophobicContact CE2-CB 3.97Å; Y103-L189 HydrophobicContact CG-CB 3.84Å; Y103-L189 HydrophobicContact CG-CD1 3.9Å; Y185-L189 WeakPolarHBondContact O-CB 3.49Å; Y185-L189 VanDerWaalsContact O-CG 3.24Å; Y185-L189 WeakPolarHBondContact O-CG 3.39Å; Y185-L189 PolarHBondContact O-N 3.35Å; L189-T193 PolarHBondContact O-N 3.49Å; L189-T193 PolarHBondContact O-OG1 2.95Å; L189-Y408 HydrophobicContact CD1-CD1 4.01Å; L189-Y408 HydrophobicContact CD1-CE1 3.95Å; L189-M413 HydrophobicContact CD1-CE 3.64Å; L189-M413 HydrophobicContact CD1-SD 3.97Å; L189-M413 HydrophobicContact CD2-CE 3.35Å; L189-M413 HydrophobicContact CG-CE 4.13Å; L189-F418 HydrophobicContact CD1-CE1 3.96Å; L189-F418 HydrophobicContact CD1-CZ 4.14Å; L189-F418 HydrophobicContact CD2-CD1 4.45Å; L189-A421 HydrophobicContact CD2-CB 3.88Å
190T96.6Very high93.9Very high0 Ų024 Ų240%013%0.127CC..Hα-helixtrans-69.7-41.4177.5-166.10000111.9F141 S147 S151 N186 S187 I188 H192 T193 T194F141-T190 HydrophobicContact CB-CG2 4.37Å; F141-T190 HydrophobicContact CD1-CG2 3.48Å; F141-T190 VanDerWaalsContact CD1-CG2 3.48Å; F141-T190 HydrophobicContact CE1-CG2 4.1Å; F141-T190 HydrophobicContact CG-CG2 4.25Å; S147-T190 PolarHBondContact O-OG1 2.99Å; S151-T190 WeakPolarHBondContact OG-CA 3.43Å; S151-T190 PolarHBondContact OG-OG1 3.42Å; N186-T190 WeakPolarHBondContact O-CB 3.25Å; N186-T190 WeakPolarHBondContact O-CG2 3.44Å; N186-T190 PolarHBondContact O-N 2.93Å; S187-T190 WeakPolarHBondContact O-CG2 3.31Å; I188-T190 PolarHBondContact O-N 3.25Å; T190-H192 PolarHBondContact O-N 3.42Å; T190-T193 PolarHBondContact O-N 3.42Å; T190-T193 PolarHBondContact O-OG1 3.37Å; T190-T193 VanDerWaalsContact O-OG1 3.09Å; T190-T194 WeakPolarHBondContact O-CB 3.43Å; T190-T194 WeakPolarHBondContact O-CG2 3.37Å; T190-T194 PolarHBondContact O-N 2.97Å; T190-T194 PolarHBondContact O-OG1 3.13Å
191T95.8Very high94.3Very high0 Ų023.5 Ų23.50%012%0.123CC..Hα-helixtrans-61.3-47.5178.4-55.20000110.5S187 I188 T193 T194 L195 F267 W388 M425S187-T191 VanDerWaalsContact O-CB 3.32Å; S187-T191 WeakPolarHBondContact O-CB 3.42Å; S187-T191 PolarHBondContact O-N 3.45Å; S187-T191 PolarHBondContact O-OG1 3.05Å; I188-T191 PolarHBondContact O-N 3.34Å; T191-T193 PolarHBondContact O-N 3.41Å; T191-T194 PolarHBondContact O-N 2.75Å; T191-L195 VanDerWaalsContact O-CB 3.28Å; T191-L195 WeakPolarHBondContact O-CB 3.18Å; T191-L195 PolarHBondContact O-N 3.48Å; T191-F267 HydrophobicContact CG2-CZ 4.08Å; T191-W388 HydrophobicContact CG2-CH2 3.53Å; T191-W388 HydrophobicContact CG2-CZ2 4.23Å; T191-W388 HydrophobicContact CG2-CZ3 3.82Å; T191-W388 WeakPolarHBondContact OG1-CZ3 3.26Å; T191-M425 HydrophobicContact CG2-CE 4.01Å; T191-M425 HydrophobicContact CG2-SD 3.55Å; T191-M425 VanDerWaalsContact CG2-SD 3.55Å
192H95.9Very high94.4Very high52 Ų5218.7 Ų18.724%0.2419%0.094CC..Hα-helixtrans-54.2-49.5177.417154.3000112.6I188 T190 A421 D424I188-H192 WeakPolarHBondContact O-CB 3.23Å; I188-H192 PolarHBondContact O-N 2.82Å; T190-H192 PolarHBondContact O-N 3.42Å; H192-A421 HydrophobicContact CB-CB 3.6Å; H192-D424 IonicContact CE1-OD2 3.96Å; H192-D424 IonicContact CG-OD2 2.64Å; H192-D424 WeakPolarHBondContact ND1-CB 3.38Å; H192-D424 IonicContact ND1-OD2 3.74Å; H192-D424 PolarHBondContact ND1-OD2 3.02Å
193T94.7Very high94.3Very high26 Ų2617.7 Ų17.716%0.169%0.088CC..Hα-helixtrans-75.7-31.3-176.448.30000113.6Y103 S151 L189 T190 T191 H197Y103-T193 WeakPolarHBondContact OH-CG2 3.43Å; Y103-T193 PolarHBondContact OH-OG1 3.34Å; S151-T193 WeakPolarHBondContact CB-OG1 3.46Å; S151-T193 PolarHBondContact OG-OG1 3.35Å; L189-T193 PolarHBondContact O-N 3.49Å; L189-T193 PolarHBondContact O-OG1 2.95Å; T190-T193 PolarHBondContact O-N 3.42Å; T190-T193 PolarHBondContact O-OG1 3.37Å; T190-T193 VanDerWaalsContact O-OG1 3.09Å; T191-T193 PolarHBondContact O-N 3.41Å; T193-H197 PolarHBondContact O-CD2 2.82Å; T193-H197 VanDerWaalsContact O-CD2 3.28Å
194T95.5Very high94.1Very high1 Ų117.4 Ų17.41%0.0069%0.087CC..Hα-helixtrans-86-15.2178.362.80000113.5M154 T190 T191 E196 H197 S198M154-T194 HydrophobicContact CB-CG2 4.23Å; M154-T194 HydrophobicContact CG-CG2 4.11Å; T190-T194 WeakPolarHBondContact O-CB 3.43Å; T190-T194 WeakPolarHBondContact O-CG2 3.37Å; T190-T194 PolarHBondContact O-N 2.97Å; T190-T194 PolarHBondContact O-OG1 3.13Å; T191-T194 PolarHBondContact O-N 2.75Å; T194-E196 VanDerWaalsContact C-N 3.28Å; T194-E196 PolarHBondContact O-N 3.5Å; T194-H197 CarbonylContact O-C 3.56Å; T194-H197 PolarHBondContact O-N 2.99Å; T194-S198 PolarHBondContact O-N 3.43Å
195L93.6Very high93.9Very high6 Ų617 Ų173%0.0318%0.084CC..THydrogen-bonded Turntrans-57.3-36.9-175.1-161.368.9000113.3T191 H197 R264 H266 F267 L428T191-L195 VanDerWaalsContact O-CB 3.28Å; T191-L195 WeakPolarHBondContact O-CB 3.18Å; T191-L195 PolarHBondContact O-N 3.48Å; L195-H197 VanDerWaalsContact C-N 3.32Å; L195-R264 VanDerWaalsContact CD2-NH1 3.32Å; L195-H266 PolarHBondContact O-CE1 2.7Å; L195-H266 VanDerWaalsContact O-CE1 3.22Å; L195-F267 HydrophobicContact CD1-CE2 3.59Å; L195-F267 HydrophobicContact CD1-CZ 3.64Å; L195-L428 HydrophobicContact CD1-CD2 4.32Å
196E91.6Very high93.4Very high168 Ų16818 Ų1879%0.7859%0.089SC*.THydrogen-bonded Turntrans-83.3-12.2178.3-60.8-167.9162.800113.4T194T194-E196 VanDerWaalsContact C-N 3.28Å; T194-E196 PolarHBondContact O-N 3.5Å
197H94.3Very high93Very high43 Ų4319.3 Ų19.320%0.19910%0.096CC..THydrogen-bonded Turntrans-109.6-18.9-172.5-62.4-33.6000112.9M154 E155 S158 K166 T193 T194 L195M154-H197 HydrophobicContact CB-CB 3.99Å; M154-H197 HydrophobicContact CE-CB 4.12Å; M154-H197 VanDerWaalsContact CE-O 3.32Å; M154-H197 WeakPolarHBondContact CE-O 3.2Å; E155-H197 WeakPolarHBondContact CG-NE2 3.46Å; S158-H197 PolarHBondContact OG-ND1 3.05Å; K166-H197 WeakPolarHBondContact CE-O 3.39Å; T193-H197 PolarHBondContact O-CD2 2.82Å; T193-H197 VanDerWaalsContact O-CD2 3.28Å; T194-H197 CarbonylContact O-C 3.56Å; T194-H197 PolarHBondContact O-N 2.99Å; L195-H197 VanDerWaalsContact C-N 3.32Å
198S93.5Very high92.7Very high8 Ų819.6 Ų19.66%0.05610%0.098CC..  trans-90.4135.2177.6-161.40000111.2E168 T194E168-S198 VanDerWaalsContact CD-OG 3.31Å; E168-S198 WeakPolarHBondContact OE2-CB 3.33Å; E168-S198 PolarHBondContact OE2-OG 2.88Å; T194-S198 PolarHBondContact O-N 3.43Å
199D92.6Very high92.4Very high32 Ų3219.6 Ų19.617%0.17110%0.098CC..SBendtrans-85.8-29.3173.4-66-74.6000111.5S165 K166 Q256S165-D199 WeakPolarHBondContact CA-OD2 3.3Å; K166-D199 PolarHBondContact N-OD2 3.29Å; K166-D199 IonicContact NZ-OD2 2.87Å; K166-D199 WeakPolarHBondContact O-CB 3.34Å; K166-D199 PolarHBondContact O-N 3.32Å; D199-Q256 PolarHBondContact OD1-NE2 2.89Å
200C91.9Very high92Very high0 Ų021.6 Ų21.60%011%0.105CC..EExtended strand (participates in β ladder)trans-168.9131.1178.7169.40000111L167 E168 V260 H266 P268L167-C200 CarbonylContact C-O 3.39Å; L167-C200 VanDerWaalsContact CA-O 3.25Å; L167-C200 WeakPolarHBondContact CA-O 3.38Å; L167-C200 HydrophobicContact CD2-CB 3.48Å; L167-C200 VanDerWaalsContact CD2-CB 3.48Å; E168-C200 PolarHBondContact N-O 3.45Å; C200-V260 HydrophobicContact CB-CG2 3.99Å; C200-H266 WeakPolarHBondContact CA-O 3.36Å; C200-P268 WeakPolarHBondContact SG-CG 3.43Å
201A93.4Very high91.8Very high0 Ų024.2 Ų24.20%012%0.12CC..EExtended strand (participates in β ladder)trans-123.2112.5-174.600000111.4E168 M203 H266 F267 P268E168-A201 HydrophobicContact CB-CB 3.93Å; A201-M203 PolarHBondContact O-N 2.82Å; A201-H266 PolarHBondContact N-O 3.47Å; A201-F267 HydrophobicContact CB-CD1 3.66Å; A201-F267 HydrophobicContact CB-CE1 3.7Å; A201-F267 WeakPolarHBondContact O-CA 3.35Å; A201-P268 WeakPolarHBondContact O-CD 3.15Å
202F92.4Very high91.5Very high3 Ų324.3 Ų24.31%0.01312%0.12CC..EExtended strand (participates in β ladder)trans-81.5108.7174-58.7-72.4000109.7L167 E168 F169 A170 I238 F255 L259 P268 L378L167-F202 HydrophobicContact CD2-CE2 3.8Å; L167-F202 HydrophobicContact CD2-CZ 4.28Å; E168-F202 WeakPolarHBondContact O-CD2 3.34Å; E168-F202 PolarHBondContact O-N 3.14Å; F169-F202 HydrophobicContact CD1-CB 3.83Å; F169-F202 AromaticContact CD1-CD2 3.92Å; F169-F202 HydrophobicContact CD1-CD2 3.92Å; F169-F202 HydrophobicContact CD1-CG 4.22Å; F169-F202 HydrophobicContact CE1-CB 4.07Å; F169-F202 AromaticContact CE1-CD2 3.48Å; F169-F202 HydrophobicContact CE1-CD2 3.48Å; F169-F202 VanDerWaalsContact CE1-CD2 3.48Å; F169-F202 HydrophobicContact CE1-CE2 4.19Å; F169-F202 AromaticContact CE1-CG 3.96Å; F169-F202 HydrophobicContact CE1-CG 3.96Å; F169-F202 HydrophobicContact CE2-CD2 4.37Å; F169-F202 AromaticContact CZ-CD2 3.74Å; F169-F202 HydrophobicContact CZ-CD2 3.74Å; F169-F202 HydrophobicContact CZ-CE2 4.09Å; A170-F202 PolarHBondContact N-O 3.12Å; F202-I238 HydrophobicContact CD1-CD1 4.37Å; F202-I238 HydrophobicContact CE2-CG2 4.07Å; F202-I238 HydrophobicContact CG-CD1 4.45Å; F202-I238 HydrophobicContact CZ-CG2 4.03Å; F202-F255 HydrophobicContact CZ-CD1 4.35Å; F202-L259 HydrophobicContact CE1-CD1 4.35Å; F202-P268 HydrophobicContact CD1-CB 4.49Å; F202-P268 HydrophobicContact CD1-CG 3.61Å; F202-P268 HydrophobicContact CE1-CB 4.34Å; F202-P268 HydrophobicContact CE1-CG 3.47Å; F202-P268 VanDerWaalsContact CE1-CG 3.47Å; F202-P268 HydrophobicContact CZ-CG 4.39Å; F202-L378 HydrophobicContact CD1-CD2 3.92Å; F202-L378 HydrophobicContact CE1-CD1 3.78Å; F202-L378 HydrophobicContact CE1-CD2 3.68Å; F202-L378 HydrophobicContact CE1-CG 4.25Å; F202-L378 HydrophobicContact CZ-CD1 4.14Å
203M90.8Very high91.3Very high0 Ų021.9 Ų21.90%011%0.109CC..EExtended strand (participates in β ladder)trans-79.7136.5175.1-74.3177.343.800111.6F141 Y172 A201 F267 V303 I384 A387 W388F141-M203 HydrophobicContact CE2-CG 4.22Å; Y172-M203 HydrophobicContact CD2-CE 3.54Å; Y172-M203 HydrophobicContact CE2-CE 4.08Å; Y172-M203 HydrophobicContact CG-CE 4.17Å; A201-M203 PolarHBondContact O-N 2.82Å; M203-F267 HydrophobicContact CG-CD1 4.2Å; M203-F267 HydrophobicContact SD-CB 4.31Å; M203-F267 HydrophobicContact SD-CD1 4.02Å; M203-F267 HydrophobicContact SD-CG 4.42Å; M203-V303 HydrophobicContact CB-CG2 3.8Å; M203-V303 HydrophobicContact CE-CG1 4.2Å; M203-V303 HydrophobicContact CE-CG2 4.4Å; M203-V303 WeakPolarHBondContact O-CG2 3.25Å; M203-I384 HydrophobicContact CB-CD1 4.48Å; M203-I384 HydrophobicContact CE-CD1 4.16Å; M203-I384 HydrophobicContact CE-CG1 4.24Å; M203-I384 HydrophobicContact SD-CD1 3.76Å; M203-I384 HydrophobicContact SD-CG1 4.28Å; M203-A387 HydrophobicContact CE-CB 4.05Å; M203-W388 HydrophobicContact SD-CH2 4.02Å; M203-W388 HydrophobicContact SD-CZ2 3.46Å; M203-W388 WeakPolarHBondContact SD-CZ2 3.31Å
204V89.3Confident91.1Very high10 Ų1027.8 Ų27.86%0.06113%0.128CC..EExtended strand (participates in β ladder)trans-129.4104.6-177.9-178.10000109A170 V171 Y172 I209 I231A170-V204 PolarHBondContact O-N 3.44Å; V171-V204 CarbonylContact C-O 3.53Å; V171-V204 WeakPolarHBondContact CA-O 3.12Å; Y172-V204 PolarHBondContact N-O 2.98Å; V204-I209 HydrophobicContact CG1-CD1 3.17Å; V204-I209 HydrophobicContact CG1-CG1 4.35Å; V204-I231 HydrophobicContact CG1-CD1 3.81Å; V204-I231 HydrophobicContact CG1-CG1 3.88Å
205D89.6Confident90.8Very high3 Ų333.6 Ų33.62%0.01615%0.15CC..EExtended strand (participates in β ladder)trans-84.9117.8-179.7-174.9-8.4000110.8Y172 E207 A208 I209 M302 V303 K304Y172-D205 HydrophobicContact CD1-CB 4.28Å; D205-E207 PolarHBondContact O-N 3.3Å; D205-E207 WeakPolarHBondContact OD1-CB 3.48Å; D205-E207 PolarHBondContact OD1-N 3.36Å; D205-A208 HydrophobicContact CB-CB 3.95Å; D205-A208 PolarHBondContact O-N 2.92Å; D205-I209 WeakPolarHBondContact O-CG1 3.49Å; D205-I209 PolarHBondContact O-N 3.37Å; D205-I209 VanDerWaalsContact O-N 3.13Å; D205-M302 WeakPolarHBondContact CA-O 3.3Å; D205-M302 WeakPolarHBondContact CB-O 3.47Å; D205-M302 PolarHBondContact N-O 3.37Å; D205-V303 HydrophobicContact CB-CB 4.37Å; D205-V303 HydrophobicContact CB-CG1 4.4Å; D205-V303 HydrophobicContact CB-CG2 4.42Å; D205-K304 PolarHBondContact OD2-N 2.84Å
206N85.1Confident90.6Very high21 Ų2135 Ų3511%0.11216%0.157CC..Hα-helixtrans-57.4-33.4176.5-82.2-26.8000112.6V171 A174 V177 Y210V171-N206 WeakPolarHBondContact CG1-ND2 3.44Å; V171-N206 WeakPolarHBondContact CG1-OD1 3.46Å; A174-N206 HydrophobicContact CB-CB 3.83Å; V177-N206 HydrophobicContact CG2-CB 4.48Å; N206-Y210 WeakPolarHBondContact O-CB 3.22Å; N206-Y210 PolarHBondContact O-N 3.28Å
207E87.6Confident90.4Very high29 Ų2927.4 Ų27.414%0.13612%0.122CC..Hα-helixtrans-70-41.5179.7-150.3176.7134.100111.3A174 Q176 D205 Y210 D211 K304A174-E207 HydrophobicContact CB-CB 3.64Å; A174-E207 HydrophobicContact CB-CG 4.4Å; Q176-E207 HydrophobicContact CG-CG 4.42Å; Q176-E207 PolarHBondContact NE2-OE1 3.25Å; D205-E207 PolarHBondContact O-N 3.3Å; D205-E207 WeakPolarHBondContact OD1-CB 3.48Å; D205-E207 PolarHBondContact OD1-N 3.36Å; E207-Y210 PolarHBondContact O-N 3.43Å; E207-D211 PolarHBondContact O-N 2.83Å; E207-K304 HydrophobicContact CB-CD 4.22Å; E207-K304 HydrophobicContact CG-CD 4.29Å; E207-K304 IonicContact OE1-NZ 3.78Å; E207-K304 PolarHBondContact OE1-NZ 3.01Å
208A89.6Confident90.1Very high6 Ų629.2 Ų29.25%0.0513%0.133CC..Hα-helixtrans-63.7-46179.100000110.9D205 Y210 D211 I212 Q301 K304D205-A208 HydrophobicContact CB-CB 3.95Å; D205-A208 PolarHBondContact O-N 2.92Å; A208-Y210 PolarHBondContact O-N 2.89Å; A208-D211 PolarHBondContact O-N 2.8Å; A208-I212 VanDerWaalsContact O-CG1 3.27Å; A208-I212 WeakPolarHBondContact O-CG1 3.46Å; A208-I212 PolarHBondContact O-N 3.14Å; A208-Q301 WeakPolarHBondContact CB-O 3.27Å; A208-K304 HydrophobicContact CB-CG 4.07Å
209I89.9Confident89.9Confident0 Ų030.2 Ų30.20%014%0.138CC..Hα-helixtrans-65.9-40.4177.3-59.9173.6000110.8V204 D205 D211 I212 C213 L227 L230 I231 M302V204-I209 HydrophobicContact CG1-CD1 3.17Å; V204-I209 HydrophobicContact CG1-CG1 4.35Å; D205-I209 WeakPolarHBondContact O-CG1 3.49Å; D205-I209 PolarHBondContact O-N 3.37Å; D205-I209 VanDerWaalsContact O-N 3.13Å; I209-D211 VanDerWaalsContact C-N 3.32Å; I209-D211 PolarHBondContact O-N 2.82Å; I209-I212 PolarHBondContact O-N 2.91Å; I209-C213 WeakPolarHBondContact O-CB 3.25Å; I209-C213 PolarHBondContact O-N 2.83Å; I209-C213 PolarHBondContact O-SG 2.89Å; I209-C213 VanDerWaalsContact O-SG 3.34Å; I209-L227 HydrophobicContact CB-CD2 3.73Å; I209-L227 HydrophobicContact CG2-CB 4.18Å; I209-L227 HydrophobicContact CG2-CD2 3.34Å; I209-L227 HydrophobicContact CG2-CG 4.34Å; I209-L230 HydrophobicContact CG2-CB 4.27Å; I209-L230 HydrophobicContact CG2-CD2 3.78Å; I209-L230 HydrophobicContact CG2-CG 4.3Å; I209-I231 HydrophobicContact CD1-CD1 3.67Å; I209-I231 HydrophobicContact CD1-CG1 3.39Å; I209-M302 HydrophobicContact CG1-SD 3.89Å
210Y89.3Confident89.6Confident45 Ų4536.6 Ų36.618%0.17617%0.166CC..Hα-helixtrans-58.3-45.7176.3-169.1-84.2000111.6V177 N206 E207 A208 C213 R214 P222V177-Y210 HydrophobicContact CG2-CD2 4.46Å; N206-Y210 WeakPolarHBondContact O-CB 3.22Å; N206-Y210 PolarHBondContact O-N 3.28Å; E207-Y210 PolarHBondContact O-N 3.43Å; A208-Y210 PolarHBondContact O-N 2.89Å; Y210-C213 PolarHBondContact O-N 2.76Å; Y210-R214 WeakPolarHBondContact O-CB 3.24Å; Y210-R214 PolarHBondContact O-N 2.78Å; Y210-P222 HydrophobicContact CD1-CG 4.45Å; Y210-P222 HydrophobicContact CD2-CB 3.85Å; Y210-P222 HydrophobicContact CD2-CG 4Å; Y210-P222 HydrophobicContact CE1-CG 4.41Å; Y210-P222 HydrophobicContact CE2-CB 3.91Å; Y210-P222 HydrophobicContact CE2-CG 3.96Å; Y210-P222 HydrophobicContact CG-CB 4.49Å; Y210-P222 HydrophobicContact CG-CG 4.25Å; Y210-P222 VanDerWaalsContact CZ-CD 3.5Å
211D90.4Very high89.4Confident56 Ų5646.4 Ų46.430%0.29920%0.204SC..Hα-helixtrans-65.4-40177.3-76.5-14.8000112.3E207 A208 I209 R214 R215 K304E207-D211 PolarHBondContact O-N 2.83Å; A208-D211 PolarHBondContact O-N 2.8Å; I209-D211 VanDerWaalsContact C-N 3.32Å; I209-D211 PolarHBondContact O-N 2.82Å; D211-R214 PolarHBondContact O-N 2.8Å; D211-R215 VanDerWaalsContact O-CB 3.28Å; D211-R215 WeakPolarHBondContact O-CB 3.23Å; D211-R215 PolarHBondContact O-N 2.93Å; D211-K304 WeakPolarHBondContact OD2-CE 3.43Å; D211-K304 IonicContact OD2-NZ 3.58Å; D211-K304 PolarHBondContact OD2-NZ 2.86Å
212I91.3Very high89.1Confident2 Ų247 Ų471%0.0121%0.208CC..Hα-helixtrans-61.9-48.2174.6-69.7165.3000110.3A208 I209 R214 R215 N216 L230 V275 A299 M302A208-I212 VanDerWaalsContact O-CG1 3.27Å; A208-I212 WeakPolarHBondContact O-CG1 3.46Å; A208-I212 PolarHBondContact O-N 3.14Å; I209-I212 PolarHBondContact O-N 2.91Å; I212-R214 VanDerWaalsContact C-N 3.3Å; I212-R214 PolarHBondContact O-N 2.75Å; I212-R215 PolarHBondContact O-N 3.41Å; I212-N216 HydrophobicContact CG2-CB 4.49Å; I212-N216 VanDerWaalsContact O-CB 3.26Å; I212-N216 WeakPolarHBondContact O-CB 3.43Å; I212-N216 PolarHBondContact O-N 2.9Å; I212-L230 HydrophobicContact CB-CD2 4.27Å; I212-L230 HydrophobicContact CG2-CD2 3.67Å; I212-V275 HydrophobicContact CG2-CB 4.17Å; I212-V275 HydrophobicContact CG2-CG1 3.74Å; I212-V275 HydrophobicContact CG2-CG2 4.1Å; I212-A299 WeakPolarHBondContact CG1-O 2.95Å; I212-M302 HydrophobicContact CD1-CE 4.02Å; I212-M302 HydrophobicContact CD1-SD 4.08Å
213C90.3Very high89Confident0 Ų050.4 Ų50.40%023%0.228CC..Hα-helixtrans-59.5-42.4177-71.10000111.4I209 Y210 L217 D218 I219 P222I209-C213 WeakPolarHBondContact O-CB 3.25Å; I209-C213 PolarHBondContact O-N 2.83Å; I209-C213 PolarHBondContact O-SG 2.89Å; I209-C213 VanDerWaalsContact O-SG 3.34Å; Y210-C213 PolarHBondContact O-N 2.76Å; C213-L217 HydrophobicContact CB-CD1 4.34Å; C213-L217 CarbonylContact O-C 3.48Å; C213-L217 WeakPolarHBondContact O-CA 3.18Å; C213-L217 VanDerWaalsContact O-CB 3.24Å; C213-L217 WeakPolarHBondContact O-CB 3.36Å; C213-L217 PolarHBondContact O-N 2.72Å; C213-L217 VanDerWaalsContact O-N 3.17Å; C213-D218 PolarHBondContact O-N 3.06Å; C213-I219 PolarHBondContact O-N 3.46Å; C213-P222 HydrophobicContact CB-CB 3.86Å; C213-P222 HydrophobicContact CB-CG 3.56Å
214R90.6Very high88.9Confident150 Ų15054.6 Ų54.657%0.56625%0.245SC*.Hα-helixtrans-69.4-42.5-178.6-173.6175.9175.7-171.3-0.1113.2Y210 D211 I212 I219 P222Y210-R214 WeakPolarHBondContact O-CB 3.24Å; Y210-R214 PolarHBondContact O-N 2.78Å; D211-R214 PolarHBondContact O-N 2.8Å; I212-R214 VanDerWaalsContact C-N 3.3Å; I212-R214 PolarHBondContact O-N 2.75Å; R214-I219 VanDerWaalsContact CA-O 3.3Å; R214-I219 WeakPolarHBondContact CA-O 3.2Å; R214-P222 HydrophobicContact CB-CG 4.46Å
215R90.6Very high88.9Confident124 Ų12457.9 Ų57.947%0.46827%0.265SS..Hα-helixtrans-83.7-42.8-175.3-174.8-173.960.5-147-19.2113D211 I212 A299D211-R215 VanDerWaalsContact O-CB 3.28Å; D211-R215 WeakPolarHBondContact O-CB 3.23Å; D211-R215 PolarHBondContact O-N 2.93Å; I212-R215 PolarHBondContact O-N 3.41Å; R215-A299 PolarHBondContact NH2-O 3.5Å
216N88.6Confident88.9Confident34 Ų3458.7 Ų58.718%0.18227%0.27CS..Hα-helixtrans-95.1-30.5-171.1-66.447.9000112.7I212 V275 S277I212-N216 HydrophobicContact CG2-CB 4.49Å; I212-N216 VanDerWaalsContact O-CB 3.26Å; I212-N216 WeakPolarHBondContact O-CB 3.43Å; I212-N216 PolarHBondContact O-N 2.9Å; N216-V275 HydrophobicContact CB-CB 4.19Å; N216-V275 HydrophobicContact CB-CG1 3.82Å; N216-V275 WeakPolarHBondContact CB-O 3.25Å; N216-V275 PolarHBondContact ND2-O 3.39Å; N216-S277 PolarHBondContact O-N 3.44Å
217L87.4Confident89.2Confident10 Ų1057.8 Ų57.85%0.05227%0.265CS..SBendtrans-99.9-1.9179.2-50.3176.6000113C213 I219 V275 D367 L368C213-L217 HydrophobicContact CB-CD1 4.34Å; C213-L217 CarbonylContact O-C 3.48Å; C213-L217 WeakPolarHBondContact O-CA 3.18Å; C213-L217 VanDerWaalsContact O-CB 3.24Å; C213-L217 WeakPolarHBondContact O-CB 3.36Å; C213-L217 PolarHBondContact O-N 2.72Å; C213-L217 VanDerWaalsContact O-N 3.17Å; L217-I219 HydrophobicContact CB-CD1 3.84Å; L217-I219 HydrophobicContact CB-CG1 3.88Å; L217-I219 HydrophobicContact CD1-CD1 4.13Å; L217-I219 PolarHBondContact O-N 3.33Å; L217-V275 HydrophobicContact CD2-CG1 3.69Å; L217-V275 HydrophobicContact CG-CG1 4.03Å; L217-D367 HydrophobicContact CD1-CB 4.06Å; L217-L368 HydrophobicContact CD2-CD2 3.73Å; L217-L368 HydrophobicContact CD2-CG 4.44Å
218D88.2Confident89.4Confident80 Ų8057.1 Ų57.143%0.42826%0.262SS..  trans56.629.4-177.3-51.3-67.1000113.8C213 K280C213-D218 PolarHBondContact O-N 3.06Å; D218-K280 IonicContact OD1-NZ 3.47Å; D218-K280 PolarHBondContact OD1-NZ 2.97Å; D218-K280 WeakPolarHBondContact OD2-CE 3.26Å; D218-K280 IonicContact OD2-NZ 3.74Å; D218-K280 PolarHBondContact OD2-NZ 3.48Å
219I88.2Confident89.5Confident30 Ų3059.5 Ų59.515%0.15427%0.27CS..  trans-89.1110.5178.7-55.8172.8000108.9C213 R214 L217 R221 P222 N226 D367C213-I219 PolarHBondContact O-N 3.46Å; R214-I219 VanDerWaalsContact CA-O 3.3Å; R214-I219 WeakPolarHBondContact CA-O 3.2Å; L217-I219 HydrophobicContact CB-CD1 3.84Å; L217-I219 HydrophobicContact CB-CG1 3.88Å; L217-I219 HydrophobicContact CD1-CD1 4.13Å; L217-I219 PolarHBondContact O-N 3.33Å; I219-R221 VanDerWaalsContact C-N 3.32Å; I219-R221 PolarHBondContact O-N 3.39Å; I219-P222 HydrophobicContact CB-CG 4.33Å; I219-P222 HydrophobicContact CG2-CB 4.47Å; I219-P222 HydrophobicContact CG2-CG 4.15Å; I219-P222 WeakPolarHBondContact O-CD 3.41Å; I219-N226 HydrophobicContact CD1-CB 4.19Å; I219-D367 HydrophobicContact CD1-CB 3.98Å
220E86.9Confident89.6Confident165 Ų16559.6 Ų59.677%0.77127%0.27SS*.SBendtrans-60.7-38.6-177.7-69.5-170.9168.200113.7
221R87.4Confident89.7Confident207 Ų20757.5 Ų57.578%0.78126%0.262SS*.SBendtrans-134.783.7-179.5-66.2-175.9-178.6-176.8-0.1110.7I219 T223I219-R221 VanDerWaalsContact C-N 3.32Å; I219-R221 PolarHBondContact O-N 3.39Å; R221-T223 PolarHBondContact O-N 2.85Å
222P88.4Confident89.8Confident13 Ų1354.9 Ų54.98%0.08425%0.248CC..  trans-55.4134.5175.4-25.733.1000112.3Y210 C213 R214 I219Y210-P222 HydrophobicContact CD1-CG 4.45Å; Y210-P222 HydrophobicContact CD2-CB 3.85Å; Y210-P222 HydrophobicContact CD2-CG 4Å; Y210-P222 HydrophobicContact CE1-CG 4.41Å; Y210-P222 HydrophobicContact CE2-CB 3.91Å; Y210-P222 HydrophobicContact CE2-CG 3.96Å; Y210-P222 HydrophobicContact CG-CB 4.49Å; Y210-P222 HydrophobicContact CG-CG 4.25Å; Y210-P222 VanDerWaalsContact CZ-CD 3.5Å; C213-P222 HydrophobicContact CB-CB 3.86Å; C213-P222 HydrophobicContact CB-CG 3.56Å; R214-P222 HydrophobicContact CB-CG 4.46Å; I219-P222 HydrophobicContact CB-CG 4.33Å; I219-P222 HydrophobicContact CG2-CB 4.47Å; I219-P222 HydrophobicContact CG2-CG 4.15Å; I219-P222 WeakPolarHBondContact O-CD 3.41Å
223T90.3Very high89.8Confident73 Ų7355.1 Ų55.145%0.44825%0.249SC..  trans-97.4167.5172.367.10000110.6R221 T225 N226 L227R221-T223 PolarHBondContact O-N 2.85Å; T223-T225 PolarHBondContact O-N 2.87Å; T223-T225 PolarHBondContact OG1-N 3.33Å; T223-N226 PolarHBondContact N-OD1 3.12Å; T223-N226 WeakPolarHBondContact O-CB 3.09Å; T223-N226 PolarHBondContact O-N 2.77Å; T223-N226 PolarHBondContact OG1-OD1 3.24Å; T223-L227 WeakPolarHBondContact O-CG 3.31Å; T223-L227 PolarHBondContact O-N 3.47Å
224Y87.1Confident89.9Confident88 Ų8855.5 Ų55.535%0.34525%0.251SS..Hα-helixtrans-56.8-30.9172.9-72.3-65.6000113.1V177 N226 L227 N228V177-Y224 HydrophobicContact CG1-CE1 4.14Å; Y224-N226 PolarHBondContact O-N 3.39Å; Y224-L227 HydrophobicContact CD1-CD1 3.95Å; Y224-L227 HydrophobicContact CE1-CD1 4.39Å; Y224-L227 PolarHBondContact O-N 3.05Å; Y224-N228 WeakPolarHBondContact O-CB 3.44Å; Y224-N228 PolarHBondContact O-N 2.86Å; Y224-N228 PolarHBondContact O-ND2 2.93Å; Y224-N228 VanDerWaalsContact O-ND2 3.16Å
225T90.1Very high90Very high80 Ų8048.4 Ų48.449%0.49123%0.225SC..Hα-helixtrans-63.4-40.9173.7-52.20000111.9T223 R229T223-T225 PolarHBondContact O-N 2.87Å; T223-T225 PolarHBondContact OG1-N 3.33Å; T225-R229 WeakPolarHBondContact O-CB 3.23Å; T225-R229 VanDerWaalsContact O-CG 3.26Å; T225-R229 WeakPolarHBondContact O-CG 3.2Å; T225-R229 PolarHBondContact O-N 3.44Å; T225-R229 VanDerWaalsContact O-N 3.09Å
226N89.8Confident90.1Very high20 Ų2042.5 Ų42.511%0.10720%0.202CC..Hα-helixtrans-68.2-45.5177.7-52.8115.7000110.8I219 T223 Y224 R229 L230 D367I219-N226 HydrophobicContact CD1-CB 4.19Å; T223-N226 PolarHBondContact N-OD1 3.12Å; T223-N226 WeakPolarHBondContact O-CB 3.09Å; T223-N226 PolarHBondContact O-N 2.77Å; T223-N226 PolarHBondContact OG1-OD1 3.24Å; Y224-N226 PolarHBondContact O-N 3.39Å; N226-R229 PolarHBondContact O-N 3.49Å; N226-L230 PolarHBondContact O-N 2.64Å; N226-D367 PolarHBondContact ND2-OD1 2.92Å; N226-D367 PolarHBondContact ND2-OD2 2.88Å
227L90.4Very high90.2Very high2 Ų241.1 Ų41.11%0.0120%0.195CC..Hα-helixtrans-58.5-52.5177.2-64.8163.8000110.5I209 T223 Y224 R229 L230 I231I209-L227 HydrophobicContact CB-CD2 3.73Å; I209-L227 HydrophobicContact CG2-CB 4.18Å; I209-L227 HydrophobicContact CG2-CD2 3.34Å; I209-L227 HydrophobicContact CG2-CG 4.34Å; T223-L227 WeakPolarHBondContact O-CG 3.31Å; T223-L227 PolarHBondContact O-N 3.47Å; Y224-L227 HydrophobicContact CD1-CD1 3.95Å; Y224-L227 HydrophobicContact CE1-CD1 4.39Å; Y224-L227 PolarHBondContact O-N 3.05Å; L227-R229 VanDerWaalsContact C-N 3.32Å; L227-R229 PolarHBondContact O-N 3.23Å; L227-L230 PolarHBondContact O-N 3.21Å; L227-L230 VanDerWaalsContact O-N 3.11Å; L227-I231 WeakPolarHBondContact O-CG1 3.39Å; L227-I231 PolarHBondContact O-N 3.49Å
228N92Very high90.3Very high14 Ų1440.9 Ų40.98%0.07519%0.194CC..Hα-helixtrans-66.1-30.8-176.7-68.2-21.1000113Q15 A19 Y224 I231 G232Q15-N228 WeakPolarHBondContact CB-ND2 3.41Å; A19-N228 HydrophobicContact CB-CB 4.01Å; A19-N228 WeakPolarHBondContact CB-O 3.02Å; Y224-N228 WeakPolarHBondContact O-CB 3.44Å; Y224-N228 PolarHBondContact O-N 2.86Å; Y224-N228 PolarHBondContact O-ND2 2.93Å; Y224-N228 VanDerWaalsContact O-ND2 3.16Å; N228-I231 PolarHBondContact O-N 2.89Å; N228-G232 PolarHBondContact O-N 2.91Å
229R91.7Very high90.4Very high57 Ų5737.1 Ų37.122%0.21517%0.174CC..Hα-helixtrans-66.9-39.3172.8-78.8174.1174.3175.8-6.2112.1T225 N226 L227 G232 Q233 G365T225-R229 WeakPolarHBondContact O-CB 3.23Å; T225-R229 VanDerWaalsContact O-CG 3.26Å; T225-R229 WeakPolarHBondContact O-CG 3.2Å; T225-R229 PolarHBondContact O-N 3.44Å; T225-R229 VanDerWaalsContact O-N 3.09Å; N226-R229 PolarHBondContact O-N 3.49Å; L227-R229 VanDerWaalsContact C-N 3.32Å; L227-R229 PolarHBondContact O-N 3.23Å; R229-G232 PolarHBondContact O-N 3.32Å; R229-Q233 WeakPolarHBondContact O-CG 3.23Å; R229-Q233 PolarHBondContact O-N 3.09Å; R229-G365 PolarHBondContact NH1-O 3.29Å
230L91.6Very high90.3Very high1 Ų135.9 Ų35.91%0.00517%0.168CC..Hα-helixtrans-67.9-43.4174.5-178.554.9000110.9I209 I212 N226 L227 G232 Q233 I234 V275 L368I209-L230 HydrophobicContact CG2-CB 4.27Å; I209-L230 HydrophobicContact CG2-CD2 3.78Å; I209-L230 HydrophobicContact CG2-CG 4.3Å; I212-L230 HydrophobicContact CB-CD2 4.27Å; I212-L230 HydrophobicContact CG2-CD2 3.67Å; N226-L230 PolarHBondContact O-N 2.64Å; L227-L230 PolarHBondContact O-N 3.21Å; L227-L230 VanDerWaalsContact O-N 3.11Å; L230-G232 VanDerWaalsContact C-N 3.31Å; L230-G232 PolarHBondContact O-N 3.42Å; L230-Q233 WeakPolarHBondContact O-CB 3.12Å; L230-Q233 PolarHBondContact O-N 2.87Å; L230-I234 HydrophobicContact CG-CD1 4.31Å; L230-I234 WeakPolarHBondContact O-CD1 3.43Å; L230-I234 WeakPolarHBondContact O-CG1 3.36Å; L230-I234 PolarHBondContact O-N 3.11Å; L230-V275 HydrophobicContact CD1-CG2 4.12Å; L230-L368 HydrophobicContact CD1-CD1 4.42Å
231I92.1Very high90.1Very high2 Ų228.8 Ų28.81%0.0114%0.137CC..Hα-helixtrans-56.5-46.7172.4-63.3170.9000110.6M16 V204 I209 L227 N228 Q233 I234 V235M16-I231 HydrophobicContact CG-CD1 4.3Å; M16-I231 HydrophobicContact CG-CG2 4.36Å; M16-I231 HydrophobicContact SD-CD1 3.92Å; M16-I231 HydrophobicContact SD-CG2 3.91Å; V204-I231 HydrophobicContact CG1-CD1 3.81Å; V204-I231 HydrophobicContact CG1-CG1 3.88Å; I209-I231 HydrophobicContact CD1-CD1 3.67Å; I209-I231 HydrophobicContact CD1-CG1 3.39Å; L227-I231 WeakPolarHBondContact O-CG1 3.39Å; L227-I231 PolarHBondContact O-N 3.49Å; N228-I231 PolarHBondContact O-N 2.89Å; I231-Q233 VanDerWaalsContact C-N 3.27Å; I231-Q233 PolarHBondContact O-N 3.19Å; I231-I234 WeakPolarHBondContact O-CB 3.46Å; I231-I234 PolarHBondContact O-N 3.27Å; I231-V235 HydrophobicContact CG2-CG2 3.89Å; I231-V235 WeakPolarHBondContact O-CG2 3.37Å; I231-V235 PolarHBondContact O-N 2.96Å
232G92.7Very high89.9Confident1 Ų119.6 Ų19.61%0.0110%0.103CC..Hα-helixtrans-56.1-38.2178.100000113.3L23 N228 R229 L230 S236L23-G232 WeakPolarHBondContact CD2-O 3.3Å; N228-G232 PolarHBondContact O-N 2.91Å; R229-G232 PolarHBondContact O-N 3.32Å; L230-G232 VanDerWaalsContact C-N 3.31Å; L230-G232 PolarHBondContact O-N 3.42Å; G232-S236 WeakPolarHBondContact O-CB 3.39Å; G232-S236 PolarHBondContact O-N 3.23Å
233Q92.4Very high89.7Confident6 Ų619 Ų193%0.02810%0.099CC..Hα-helixtrans-66.5-38.3175.8-69.5-69-30.100112.9L23 R229 L230 I231 S237 T361 L368L23-Q233 HydrophobicContact CD2-CG 4.31Å; R229-Q233 WeakPolarHBondContact O-CG 3.23Å; R229-Q233 PolarHBondContact O-N 3.09Å; L230-Q233 WeakPolarHBondContact O-CB 3.12Å; L230-Q233 PolarHBondContact O-N 2.87Å; I231-Q233 VanDerWaalsContact C-N 3.27Å; I231-Q233 PolarHBondContact O-N 3.19Å; Q233-S237 WeakPolarHBondContact O-CB 3.44Å; Q233-S237 PolarHBondContact O-N 3.28Å; Q233-S237 PolarHBondContact O-OG 3.12Å; Q233-T361 PolarHBondContact NE2-O 3.49Å; Q233-T361 PolarHBondContact OE1-O 3.3Å; Q233-L368 HydrophobicContact CB-CD1 4.49Å; Q233-L368 HydrophobicContact CG-CD1 3.61Å
234I91.3Very high89.4Confident8 Ų815.9 Ų15.94%0.0418%0.08CC..Hα-helixtrans-70.5-51.2179.4-59.9155.1000109.5L230 I231 S236 S237 I238 A270 Y272 M302L230-I234 HydrophobicContact CG-CD1 4.31Å; L230-I234 WeakPolarHBondContact O-CD1 3.43Å; L230-I234 WeakPolarHBondContact O-CG1 3.36Å; L230-I234 PolarHBondContact O-N 3.11Å; I231-I234 WeakPolarHBondContact O-CB 3.46Å; I231-I234 PolarHBondContact O-N 3.27Å; I234-S236 PolarHBondContact O-N 3.49Å; I234-S237 WeakPolarHBondContact O-CA 3.38Å; I234-S237 WeakPolarHBondContact O-CB 3.38Å; I234-S237 PolarHBondContact O-N 3.04Å; I234-I238 HydrophobicContact CG2-CD1 3.87Å; I234-I238 WeakPolarHBondContact O-CG1 3.34Å; I234-I238 PolarHBondContact O-N 3.18Å; I234-A270 HydrophobicContact CG2-CB 4.18Å; I234-Y272 HydrophobicContact CG1-CD2 4.41Å; I234-Y272 HydrophobicContact CG1-CG 4.11Å; I234-M302 HydrophobicContact CD1-CE 3.22Å; I234-M302 HydrophobicContact CD1-CG 3.89Å; I234-M302 HydrophobicContact CD1-SD 3.34Å; I234-M302 WeakPolarHBondContact CD1-SD 3.15Å; I234-M302 HydrophobicContact CG1-CE 3.97Å
235V92.8Very high88.8Confident2 Ų217.8 Ų17.81%0.01210%0.096CC..Hα-helixtrans-56.6-42.1175175.30000110.1Y24 F138 F169 I231 S237 I238 T239Y24-V235 WeakPolarHBondContact OH-CG1 3.45Å; F138-V235 HydrophobicContact CE1-CG1 3.63Å; F138-V235 HydrophobicContact CE1-CG2 4.02Å; F138-V235 HydrophobicContact CZ-CG1 3.85Å; F169-V235 HydrophobicContact CD1-CG2 3.83Å; F169-V235 HydrophobicContact CE1-CB 4.49Å; F169-V235 HydrophobicContact CE1-CG1 4.44Å; F169-V235 HydrophobicContact CE1-CG2 3.9Å; F169-V235 HydrophobicContact CE2-CG1 4.48Å; F169-V235 HydrophobicContact CG-CG2 4.36Å; F169-V235 HydrophobicContact CZ-CG1 4.23Å; F169-V235 HydrophobicContact CZ-CG2 4.49Å; I231-V235 HydrophobicContact CG2-CG2 3.89Å; I231-V235 WeakPolarHBondContact O-CG2 3.37Å; I231-V235 PolarHBondContact O-N 2.96Å; V235-S237 VanDerWaalsContact C-N 3.33Å; V235-S237 PolarHBondContact O-N 2.97Å; V235-I238 PolarHBondContact O-N 3.26Å; V235-T239 HydrophobicContact CG1-CG2 4.34Å; V235-T239 WeakPolarHBondContact O-CB 3.41Å; V235-T239 WeakPolarHBondContact O-CG2 3.23Å; V235-T239 PolarHBondContact O-N 3.31Å; V235-T239 PolarHBondContact O-OG1 2.85Å
236S92.8Very high87.7Confident0 Ų014.8 Ų14.80%08%0.081CC..Hα-helixtrans-60.4-42.2174.4176.60000112.5E27 G232 I234 T239 A240 R243 R320E27-S236 VanDerWaalsContact CD-OG 3.24Å; E27-S236 PolarHBondContact OE1-OG 3.36Å; E27-S236 PolarHBondContact OE2-OG 3.05Å; G232-S236 WeakPolarHBondContact O-CB 3.39Å; G232-S236 PolarHBondContact O-N 3.23Å; I234-S236 PolarHBondContact O-N 3.49Å; S236-T239 PolarHBondContact O-N 2.93Å; S236-T239 PolarHBondContact O-OG1 2.78Å; S236-A240 WeakPolarHBondContact O-CA 3.2Å; S236-A240 VanDerWaalsContact O-CB 3.23Å; S236-A240 WeakPolarHBondContact O-CB 3.42Å; S236-A240 PolarHBondContact O-N 2.78Å; S236-R243 PolarHBondContact O-NH2 3.06Å; S236-R243 PolarHBondContact OG-NH2 3.34Å; S236-R320 PolarHBondContact OG-NH1 3.24Å
237S90.8Very high86.4Confident5 Ų516.8 Ų16.84%0.03510%0.1CC..Hα-helixtrans-66.8-37.9177.8-59.50000112.8Q233 I234 V235 Y272Q233-S237 WeakPolarHBondContact O-CB 3.44Å; Q233-S237 PolarHBondContact O-N 3.28Å; Q233-S237 PolarHBondContact O-OG 3.12Å; I234-S237 WeakPolarHBondContact O-CA 3.38Å; I234-S237 WeakPolarHBondContact O-CB 3.38Å; I234-S237 PolarHBondContact O-N 3.04Å; V235-S237 VanDerWaalsContact C-N 3.33Å; V235-S237 PolarHBondContact O-N 2.97Å; S237-Y272 WeakPolarHBondContact OG-CE2 3.27Å
238I88.9Confident85.1Confident4 Ų421.5 Ų21.52%0.02112%0.124CC..Hα-helixtrans-68.9-43.2177.1-63.9166.8000110.7F169 F202 I234 V235 A240 F255 L378F169-I238 HydrophobicContact CE1-CD1 3.79Å; F169-I238 HydrophobicContact CZ-CD1 4.47Å; F169-I238 HydrophobicContact CZ-CG2 4.16Å; F202-I238 HydrophobicContact CD1-CD1 4.37Å; F202-I238 HydrophobicContact CE2-CG2 4.07Å; F202-I238 HydrophobicContact CG-CD1 4.45Å; F202-I238 HydrophobicContact CZ-CG2 4.03Å; I234-I238 HydrophobicContact CG2-CD1 3.87Å; I234-I238 WeakPolarHBondContact O-CG1 3.34Å; I234-I238 PolarHBondContact O-N 3.18Å; V235-I238 PolarHBondContact O-N 3.26Å; I238-A240 VanDerWaalsContact C-N 3.35Å; I238-F255 HydrophobicContact CG2-CE1 4.2Å; I238-F255 HydrophobicContact CG2-CZ 3.98Å; I238-F255 WeakPolarHBondContact O-CZ 3.41Å; I238-L378 HydrophobicContact CD1-CD2 3.83Å; I238-L378 HydrophobicContact CG1-CD1 4.2Å; I238-L378 HydrophobicContact CG1-CD2 4Å; I238-L378 HydrophobicContact CG1-CG 4.47Å; I238-L378 HydrophobicContact CG2-CD1 4.37Å
239T89.6Confident83.8Confident2 Ų223.3 Ų23.31%0.01213%0.134CC..Hα-helixtrans-85.4-4.9-178.657.40000113.8Y24 F52 L136 V235 S236 S241 L242 R243Y24-T239 PolarHBondContact OH-OG1 2.99Å; F52-T239 HydrophobicContact CE1-CG2 4.4Å; F52-T239 HydrophobicContact CZ-CG2 4.01Å; L136-T239 HydrophobicContact CD1-CG2 3.91Å; V235-T239 HydrophobicContact CG1-CG2 4.34Å; V235-T239 WeakPolarHBondContact O-CB 3.41Å; V235-T239 WeakPolarHBondContact O-CG2 3.23Å; V235-T239 PolarHBondContact O-N 3.31Å; V235-T239 PolarHBondContact O-OG1 2.85Å; S236-T239 PolarHBondContact O-N 2.93Å; S236-T239 PolarHBondContact O-OG1 2.78Å; T239-S241 VanDerWaalsContact C-N 3.27Å; T239-S241 PolarHBondContact O-N 2.86Å; T239-L242 WeakPolarHBondContact O-CB 3.5Å; T239-L242 PolarHBondContact O-N 2.85Å; T239-R243 PolarHBondContact O-N 2.85Å; T239-R243 PolarHBondContact OG1-NE 3.03Å
240A87.8Confident82.7Confident3 Ų320.8 Ų20.83%0.02513%0.125CC..Hα-helixtrans-61.6-34.7-176.200000112.5S236 I238 L242 R243 F244S236-A240 WeakPolarHBondContact O-CA 3.2Å; S236-A240 VanDerWaalsContact O-CB 3.23Å; S236-A240 WeakPolarHBondContact O-CB 3.42Å; S236-A240 PolarHBondContact O-N 2.78Å; I238-A240 VanDerWaalsContact C-N 3.35Å; A240-L242 PolarHBondContact O-N 3.11Å; A240-R243 PolarHBondContact O-N 2.94Å; A240-F244 HydrophobicContact CB-CD2 4.32Å; A240-F244 PolarHBondContact O-N 3.5Å
241S82.1Confident81.7Confident17 Ų1721.7 Ų21.712%0.11913%0.13CC..Hα-helixtrans-66.7-18.6177.757.50000113.8T239 V250T239-S241 VanDerWaalsContact C-N 3.27Å; T239-S241 PolarHBondContact O-N 2.86Å; S241-V250 WeakPolarHBondContact CB-O 3.26Å; S241-V250 PolarHBondContact OG-O 2.77Å
242L82.6Confident80.9Confident14 Ų1421.7 Ų21.77%0.07313%0.13CC..Hα-helixtrans-92.4-25.6178.6-52.6168000112T51 F52 T239 A240 L252T51-L242 WeakPolarHBondContact CB-O 3.41Å; T51-L242 WeakPolarHBondContact CG2-O 3.3Å; T51-L242 PolarHBondContact OG1-O 3.36Å; F52-L242 HydrophobicContact CE2-CB 3.85Å; F52-L242 HydrophobicContact CE2-CD1 4.08Å; F52-L242 HydrophobicContact CZ-CD1 4.15Å; T239-L242 WeakPolarHBondContact O-CB 3.5Å; T239-L242 PolarHBondContact O-N 2.85Å; A240-L242 PolarHBondContact O-N 3.11Å; L242-L252 HydrophobicContact CD1-CD2 3.35Å; L242-L252 HydrophobicContact CD1-CG 4.38Å; L242-L252 HydrophobicContact CD2-CD2 3.9Å; L242-L252 HydrophobicContact CD2-CG 4.3Å; L242-L252 HydrophobicContact CG-CD2 4.23Å
243R85.6Confident80.3Confident0 Ų025.3 Ų25.30%015%0.152CC..Hα-helixtrans-101.4-22.1-172.8-67.3-174.8-61.3107.8-0.8113.8Y24 E27 H28 S48 F52 S236 T239 A240Y24-R243 VanDerWaalsContact CD1-CZ 3.42Å; Y24-R243 VanDerWaalsContact CE1-CZ 3.48Å; E27-R243 IonicContact OE2-CZ 3.23Å; E27-R243 IonicContact OE2-NH1 3.49Å; E27-R243 PolarHBondContact OE2-NH1 3.15Å; E27-R243 IonicContact OE2-NH2 3.7Å; E27-R243 PolarHBondContact OE2-NH2 3.43Å; H28-R243 PolarHBondContact CE1-O 3.26Å; H28-R243 PolarHBondContact NE2-NH1 3.07Å; S48-R243 CarbonylContact C-O 3.55Å; S48-R243 WeakPolarHBondContact CB-O 3.39Å; S48-R243 PolarHBondContact OG-O 3.05Å; F52-R243 HydrophobicContact CB-CG 4.46Å; F52-R243 HydrophobicContact CD1-CG 4.41Å; F52-R243 HydrophobicContact CD2-CG 3.46Å; F52-R243 VanDerWaalsContact CD2-CG 3.46Å; F52-R243 HydrophobicContact CE2-CG 3.67Å; F52-R243 HydrophobicContact CG-CG 3.87Å; F52-R243 HydrophobicContact CZ-CG 4.22Å; S236-R243 PolarHBondContact O-NH2 3.06Å; S236-R243 PolarHBondContact OG-NH2 3.34Å; T239-R243 PolarHBondContact O-N 2.85Å; T239-R243 PolarHBondContact OG1-NE 3.03Å; A240-R243 PolarHBondContact O-N 2.94Å
244F83.9Confident79.7Confident8 Ų828.8 Ų28.84%0.03517%0.168CC..SBendtrans-127.3150.8-179.4-62.5-66.8000110.4E27 H28 A240 N356 Q358E27-F244 HydrophobicContact CB-CZ 3.93Å; E27-F244 WeakPolarHBondContact OE2-CE2 3.33Å; H28-F244 AromaticContact CE1-CD1 3.92Å; H28-F244 AromaticContact CE1-CE1 3.18Å; H28-F244 WeakPolarHBondContact CE1-CE1 3.49Å; H28-F244 AromaticContact CE1-CZ 3.25Å; H28-F244 WeakPolarHBondContact CE1-CZ 3.41Å; H28-F244 AromaticContact ND1-CE1 3.45Å; H28-F244 WeakPolarHBondContact ND1-CE1 3.32Å; H28-F244 AromaticContact ND1-CZ 3.73Å; H28-F244 AromaticContact NE2-CZ 3.69Å; A240-F244 HydrophobicContact CB-CD2 4.32Å; A240-F244 PolarHBondContact O-N 3.5Å; F244-N356 WeakPolarHBondContact CB-ND2 3.27Å; F244-N356 WeakPolarHBondContact CD2-ND2 3.11Å; F244-Q358 VanDerWaalsContact CD1-CD 3.43Å; F244-Q358 VanDerWaalsContact CD1-NE2 3.33Å; F244-Q358 VanDerWaalsContact CZ-OE1 3.28Å
245D74.6Confident79Confident128 Ų12828.5 Ų28.568%0.68417%0.167SC*.  trans-73.9140.9165.2-160.819.8000110.5N249D245-N249 PolarHBondContact OD1-ND2 2.99Å; D245-N249 VanDerWaalsContact OD1-ND2 3.08Å
246G67Low78.5Confident17 Ų1731.3 Ų31.318%0.17518%0.18CC..  trans-149.7162.7-171.500000110.9L248 N249G246-L248 PolarHBondContact O-N 3.19Å; G246-N249 WeakPolarHBondContact CA-OD1 2.98Å; G246-N249 PolarHBondContact N-OD1 2.86Å; G246-N249 PolarHBondContact O-OD1 3.47Å
247A61.9Low78.1Confident62 Ų6236.4 Ų36.451%0.51221%0.211SC..SBendtrans-69.4-26.5-17800000112.6I355 Y357A247-I355 PolarHBondContact N-O 2.76Å; A247-I355 VanDerWaalsContact N-O 3.12Å; A247-Y357 HydrophobicContact CB-CE2 3.87Å
248L63.6Low77.8Confident100 Ų10037.8 Ų37.852%0.52422%0.218SC..SBendtrans-141.696.2172.6-151.185.4000108.5G246 V353G246-L248 PolarHBondContact O-N 3.19Å; L248-V353 WeakPolarHBondContact CB-O 3.48Å; L248-V353 WeakPolarHBondContact CD2-O 3.28Å
249N64.1Low77.6Confident52 Ų5237.6 Ų37.628%0.27822%0.217SC..PPolyproline II helixtrans-85.5131.1178.7-63.5-25.2000109.5D245 G246D245-N249 PolarHBondContact OD1-ND2 2.99Å; D245-N249 VanDerWaalsContact OD1-ND2 3.08Å; G246-N249 WeakPolarHBondContact CA-OD1 2.98Å; G246-N249 PolarHBondContact N-OD1 2.86Å; G246-N249 PolarHBondContact O-OD1 3.47Å
250V67.8Low77.5Confident5 Ų538.3 Ų38.33%0.0322%0.221CC..PPolyproline II helixtrans-103.4121.5174.4-175.10000108.5S241 E254 F255 L318S241-V250 WeakPolarHBondContact CB-O 3.26Å; S241-V250 PolarHBondContact OG-O 2.77Å; V250-E254 WeakPolarHBondContact CA-OE2 3.39Å; V250-E254 HydrophobicContact CG1-CB 3.7Å; V250-F255 HydrophobicContact CB-CE2 4.38Å; V250-F255 HydrophobicContact CB-CZ 4.36Å; V250-F255 HydrophobicContact CG1-CD1 4.27Å; V250-F255 HydrophobicContact CG1-CD2 4Å; V250-F255 HydrophobicContact CG1-CE1 4.2Å; V250-F255 HydrophobicContact CG1-CE2 3.96Å; V250-F255 HydrophobicContact CG1-CG 4.17Å; V250-F255 HydrophobicContact CG1-CZ 4.06Å; V250-L318 HydrophobicContact CG2-CD2 4.35Å
251D71.3Confident77.4Confident19 Ų1940.6 Ų40.610%0.10224%0.236CC..PPolyproline II helixtrans-81.1164.8173.1-77.7-35.4000112.7R2 Q133 T253 E254 F255R2-D251 WeakPolarHBondContact CD-OD1 3.31Å; R2-D251 VanDerWaalsContact CZ-CG 3.41Å; R2-D251 IonicContact CZ-OD1 3.74Å; R2-D251 IonicContact CZ-OD2 2.8Å; R2-D251 IonicContact NE-OD1 3.83Å; R2-D251 IonicContact NE-OD2 3.62Å; R2-D251 IonicContact NH1-OD1 3.71Å; R2-D251 PolarHBondContact NH1-OD1 2.94Å; R2-D251 IonicContact NH1-OD2 2.76Å; R2-D251 PolarHBondContact NH1-OD2 2.87Å; R2-D251 IonicContact NH2-OD2 2.66Å; R2-D251 PolarHBondContact NH2-OD2 3Å; Q133-D251 PolarHBondContact NE2-OD1 2.78Å; D251-T253 VanDerWaalsContact C-N 3.3Å; D251-T253 PolarHBondContact O-N 3.18Å; D251-E254 HydrophobicContact CB-CB 4.38Å; D251-E254 HydrophobicContact CB-CG 4.17Å; D251-E254 CarbonylContact O-C 3.49Å; D251-E254 WeakPolarHBondContact O-CA 3.45Å; D251-E254 WeakPolarHBondContact O-CB 3.35Å; D251-E254 PolarHBondContact O-N 2.83Å; D251-F255 VanDerWaalsContact O-CD2 3.3Å; D251-F255 WeakPolarHBondContact O-CD2 3.4Å; D251-F255 PolarHBondContact O-N 2.98Å
252L74.9Confident77.7Confident3 Ų344.9 Ų44.92%0.01625%0.25CC..Hα-helixtrans-53.1-45.1173.5-58.3-166.9000112.9Q133 L136 L167 L242 E254 F255 Q256Q133-L252 HydrophobicContact CB-CD1 3.86Å; Q133-L252 HydrophobicContact CB-CG 4.28Å; L136-L252 HydrophobicContact CD2-CD2 4.17Å; L167-L252 HydrophobicContact CD1-CB 3.96Å; L167-L252 HydrophobicContact CD1-CD1 4.14Å; L167-L252 HydrophobicContact CD1-CD2 3.47Å; L167-L252 VanDerWaalsContact CD1-CD2 3.47Å; L167-L252 HydrophobicContact CD1-CG 4.04Å; L242-L252 HydrophobicContact CD1-CD2 3.35Å; L242-L252 HydrophobicContact CD1-CG 4.38Å; L242-L252 HydrophobicContact CD2-CD2 3.9Å; L242-L252 HydrophobicContact CD2-CG 4.3Å; L242-L252 HydrophobicContact CG-CD2 4.23Å; L252-E254 VanDerWaalsContact C-N 3.25Å; L252-E254 PolarHBondContact O-N 2.94Å; L252-F255 WeakPolarHBondContact O-CB 3.41Å; L252-F255 PolarHBondContact O-N 2.86Å; L252-Q256 PolarHBondContact O-N 3.18Å
253T79.7Confident78Confident76 Ų7649.5 Ų49.547%0.46628%0.281SS..Hα-helixtrans-67.8-28.6177.9-48.40000112.1D251 Q256 T257D251-T253 VanDerWaalsContact C-N 3.3Å; D251-T253 PolarHBondContact O-N 3.18Å; T253-Q256 PolarHBondContact O-N 3.01Å; T253-T257 PolarHBondContact O-N 2.94Å; T253-T257 PolarHBondContact O-OG1 3.36Å
254E80.4Confident78.3Confident79 Ų7952.9 Ų52.937%0.36929%0.294SS..Hα-helixtrans-74.4-28.6174.7-69.6-173.1-17600112V250 D251 L252 Q256 T257 N258V250-E254 WeakPolarHBondContact CA-OE2 3.39Å; V250-E254 HydrophobicContact CG1-CB 3.7Å; D251-E254 HydrophobicContact CB-CB 4.38Å; D251-E254 HydrophobicContact CB-CG 4.17Å; D251-E254 CarbonylContact O-C 3.49Å; D251-E254 WeakPolarHBondContact O-CA 3.45Å; D251-E254 WeakPolarHBondContact O-CB 3.35Å; D251-E254 PolarHBondContact O-N 2.83Å; L252-E254 VanDerWaalsContact C-N 3.25Å; L252-E254 PolarHBondContact O-N 2.94Å; E254-Q256 VanDerWaalsContact C-N 3.35Å; E254-T257 PolarHBondContact O-N 3.46Å; E254-N258 WeakPolarHBondContact O-CB 3.27Å; E254-N258 PolarHBondContact O-N 2.99Å; E254-N258 PolarHBondContact O-ND2 2.75Å
255F76.9Confident78.7Confident3 Ų352.7 Ų52.71%0.01329%0.293CS..Hα-helixtrans-59.4-47.7170.2-78.8-73.6000111L167 F202 I238 V250 D251 L252 N258 L259 L318 L378L167-F255 HydrophobicContact CD2-CB 4.43Å; F202-F255 HydrophobicContact CZ-CD1 4.35Å; I238-F255 HydrophobicContact CG2-CE1 4.2Å; I238-F255 HydrophobicContact CG2-CZ 3.98Å; I238-F255 WeakPolarHBondContact O-CZ 3.41Å; V250-F255 HydrophobicContact CB-CE2 4.38Å; V250-F255 HydrophobicContact CB-CZ 4.36Å; V250-F255 HydrophobicContact CG1-CD1 4.27Å; V250-F255 HydrophobicContact CG1-CD2 4Å; V250-F255 HydrophobicContact CG1-CE1 4.2Å; V250-F255 HydrophobicContact CG1-CE2 3.96Å; V250-F255 HydrophobicContact CG1-CG 4.17Å; V250-F255 HydrophobicContact CG1-CZ 4.06Å; D251-F255 VanDerWaalsContact O-CD2 3.3Å; D251-F255 WeakPolarHBondContact O-CD2 3.4Å; D251-F255 PolarHBondContact O-N 2.98Å; L252-F255 WeakPolarHBondContact O-CB 3.41Å; L252-F255 PolarHBondContact O-N 2.86Å; F255-N258 PolarHBondContact O-N 2.83Å; F255-L259 HydrophobicContact CD1-CD1 3.83Å; F255-L259 VanDerWaalsContact O-CB 3.24Å; F255-L259 WeakPolarHBondContact O-CB 3.47Å; F255-L259 PolarHBondContact O-N 3.02Å; F255-L318 HydrophobicContact CE1-CD1 4.24Å; F255-L318 HydrophobicContact CZ-CD1 4.34Å; F255-L378 HydrophobicContact CD1-CD1 3.97Å; F255-L378 HydrophobicContact CE1-CD1 3.48Å; F255-L378 VanDerWaalsContact CE1-CD1 3.48Å
256Q81.3Confident79.6Confident60 Ų6046.6 Ų46.628%0.2826%0.26SS..Hα-helixtrans-59.1-53.2175.2-175177.122.300111D199 L252 T253 E254 N258 L259 V260D199-Q256 PolarHBondContact OD1-NE2 2.89Å; L252-Q256 PolarHBondContact O-N 3.18Å; T253-Q256 PolarHBondContact O-N 3.01Å; E254-Q256 VanDerWaalsContact C-N 3.35Å; Q256-N258 VanDerWaalsContact C-N 3.27Å; Q256-N258 PolarHBondContact O-N 2.88Å; Q256-L259 PolarHBondContact O-N 2.77Å; Q256-V260 HydrophobicContact CG-CB 4.4Å; Q256-V260 WeakPolarHBondContact O-CA 3.05Å; Q256-V260 VanDerWaalsContact O-CB 3.31Å; Q256-V260 WeakPolarHBondContact O-CB 3.31Å; Q256-V260 PolarHBondContact O-N 3Å
257T84.9Confident80.9Confident107 Ų10745.8 Ų45.866%0.65625%0.252SS*.Hα-helixtrans-61.7-33.8-177.3-52.60000113T253 E254T253-T257 PolarHBondContact O-N 2.94Å; T253-T257 PolarHBondContact O-OG1 3.36Å; E254-T257 PolarHBondContact O-N 3.46Å
258N84.3Confident82.4Confident35 Ų3542.9 Ų42.919%0.18723%0.228CC..Hα-helixtrans-91.1-30.6-175.7-69.9-46.2000113.7E254 F255 Q256 A314 K352E254-N258 WeakPolarHBondContact O-CB 3.27Å; E254-N258 PolarHBondContact O-N 2.99Å; E254-N258 PolarHBondContact O-ND2 2.75Å; F255-N258 PolarHBondContact O-N 2.83Å; Q256-N258 VanDerWaalsContact C-N 3.27Å; Q256-N258 PolarHBondContact O-N 2.88Å; N258-A314 WeakPolarHBondContact O-CB 3.31Å; N258-K352 HydrophobicContact CB-CG 4.19Å; N258-K352 WeakPolarHBondContact OD1-CE 3.24Å
259L84.9Confident83.7Confident0 Ų038.1 Ų38.10%020%0.203CC..Hα-helixtrans-108.3-21.7-173.2-64175.3000113.6F202 F255 Q256 P261 P268 A314 C316 L378 N380F202-L259 HydrophobicContact CE1-CD1 4.35Å; F255-L259 HydrophobicContact CD1-CD1 3.83Å; F255-L259 VanDerWaalsContact O-CB 3.24Å; F255-L259 WeakPolarHBondContact O-CB 3.47Å; F255-L259 PolarHBondContact O-N 3.02Å; Q256-L259 PolarHBondContact O-N 2.77Å; L259-P261 VanDerWaalsContact O-CD 3.23Å; L259-P261 WeakPolarHBondContact O-CD 3.37Å; L259-P268 HydrophobicContact CD1-CB 4.17Å; L259-P268 HydrophobicContact CD1-CG 4.21Å; L259-A314 HydrophobicContact CD2-CB 4.28Å; L259-C316 HydrophobicContact CD2-CB 3.91Å; L259-L378 HydrophobicContact CD1-CB 3.81Å; L259-L378 HydrophobicContact CD1-CD1 3.89Å; L259-L378 HydrophobicContact CD2-CB 4.1Å; L259-L378 WeakPolarHBondContact CD2-O 3.18Å; L259-N380 VanDerWaalsContact O-CB 3.25Å; L259-N380 WeakPolarHBondContact O-CB 3.2Å; L259-N380 PolarHBondContact O-ND2 2.85Å
260V88.2Confident85Confident17 Ų1735.8 Ų35.810%0.10319%0.191CC..  trans-114.890.6-170.6-175.20000109.5C200 Q256 Y262 H266C200-V260 HydrophobicContact CB-CG2 3.99Å; Q256-V260 HydrophobicContact CG-CB 4.4Å; Q256-V260 WeakPolarHBondContact O-CA 3.05Å; Q256-V260 VanDerWaalsContact O-CB 3.31Å; Q256-V260 WeakPolarHBondContact O-CB 3.31Å; Q256-V260 PolarHBondContact O-N 3Å; V260-Y262 WeakPolarHBondContact CG1-O 3.47Å; V260-H266 HydrophobicContact CB-CB 4.37Å; V260-H266 HydrophobicContact CG1-CB 3.58Å; V260-H266 HydrophobicContact CG2-CB 3.83Å
261P86.1Confident86.3Confident50 Ų5035.5 Ų35.533%0.32519%0.189SC..SBendtrans-71.5-34.4179.129.6-35.6000112.2L259 M313 W346L259-P261 VanDerWaalsContact O-CD 3.23Å; L259-P261 WeakPolarHBondContact O-CD 3.37Å; P261-M313 HydrophobicContact CG-CB 4.08Å; P261-M313 HydrophobicContact CG-CG 4.41Å; P261-M313 HydrophobicContact CG-SD 3.87Å; P261-W346 HydrophobicContact CB-CH2 3.53Å; P261-W346 HydrophobicContact CB-CZ3 3.91Å; P261-W346 HydrophobicContact CG-CH2 3.85Å
262Y87.9Confident87.4Confident107 Ų10734.9 Ų34.942%0.4219%0.186SC..SBendtrans-125.8136.6179.3-62.3-71.8000109.5V260 R264 I265 W346 V435V260-Y262 WeakPolarHBondContact CG1-O 3.47Å; Y262-R264 VanDerWaalsContact C-N 3.25Å; Y262-R264 PolarHBondContact O-N 3.44Å; Y262-R264 VanDerWaalsContact O-N 3.12Å; Y262-I265 HydrophobicContact CD2-CD1 4.12Å; Y262-I265 CarbonylContact O-C 3.39Å; Y262-I265 PolarHBondContact O-N 3.03Å; Y262-W346 HydrophobicContact CE2-CH2 4.16Å; Y262-W346 AromaticContact CE2-CZ2 3.82Å; Y262-W346 HydrophobicContact CE2-CZ2 3.82Å; Y262-V435 HydrophobicContact CD2-CG2 4.03Å; Y262-V435 HydrophobicContact CE2-CG2 3.81Å
263P88.1Confident88.3Confident111 Ų11134.8 Ų34.872%0.72119%0.185SC*.THydrogen-bonded Turntrans-54.8-33.9-175.1-29.635.9000115.2H266P263-H266 PolarHBondContact O-ND1 2.99Å
264R92.2Very high88.9Confident71 Ų7131.8 Ų31.827%0.26817%0.167SC..THydrogen-bonded Turntrans-79.7-25.4178.3-69.7176.659.987.7-0.6113.7L195 Y262 H266 D424 L428 D431L195-R264 VanDerWaalsContact CD2-NH1 3.32Å; Y262-R264 VanDerWaalsContact C-N 3.25Å; Y262-R264 PolarHBondContact O-N 3.44Å; Y262-R264 VanDerWaalsContact O-N 3.12Å; R264-H266 PolarHBondContact O-N 3.04Å; R264-D424 IonicContact CZ-OD1 3.65Å; R264-D424 VanDerWaalsContact CZ-OD1 3.23Å; R264-D424 IonicContact NH1-OD1 3.9Å; R264-D424 PolarHBondContact NH1-OD1 3.39Å; R264-D424 PolarHBondContact NH2-O 2.81Å; R264-D424 IonicContact NH2-OD1 3.75Å; R264-D424 PolarHBondContact NH2-OD1 3.47Å; R264-L428 HydrophobicContact CB-CD1 4.27Å; R264-L428 WeakPolarHBondContact O-CD1 3.1Å; R264-D431 IonicContact CZ-OD2 2.75Å; R264-D431 IonicContact NE-OD2 2.8Å; R264-D431 PolarHBondContact NE-OD2 3.13Å; R264-D431 IonicContact NH2-OD2 3.68Å
265I93.1Very high89.4Confident4 Ų428.5 Ų28.52%0.02115%0.152CC..  trans-97.266.3-178.1-61.8164.8000109Y262 M313 N380 D431 Y432 V435Y262-I265 HydrophobicContact CD2-CD1 4.12Å; Y262-I265 CarbonylContact O-C 3.39Å; Y262-I265 PolarHBondContact O-N 3.03Å; I265-M313 HydrophobicContact CG2-CE 3.62Å; I265-M313 HydrophobicContact CG2-SD 3.73Å; I265-N380 PolarHBondContact O-ND2 2.96Å; I265-D431 HydrophobicContact CD1-CB 4.19Å; I265-D431 HydrophobicContact CG1-CB 4.41Å; I265-Y432 HydrophobicContact CB-CE1 4.35Å; I265-Y432 HydrophobicContact CG1-CD1 4.47Å; I265-Y432 HydrophobicContact CG1-CE1 4.24Å; I265-Y432 HydrophobicContact CG2-CD1 4.13Å; I265-Y432 HydrophobicContact CG2-CE1 3.36Å; I265-V435 HydrophobicContact CD1-CB 4.36Å; I265-V435 HydrophobicContact CD1-CG2 3.61Å
266H93.8Very high90Very high0 Ų029.8 Ų29.80%016%0.159CC..  trans-112.126.4-173.963.1-120.2000113.9L195 C200 A201 V260 P263 R264 P268L195-H266 PolarHBondContact O-CE1 2.7Å; L195-H266 VanDerWaalsContact O-CE1 3.22Å; C200-H266 WeakPolarHBondContact CA-O 3.36Å; A201-H266 PolarHBondContact N-O 3.47Å; V260-H266 HydrophobicContact CB-CB 4.37Å; V260-H266 HydrophobicContact CG1-CB 3.58Å; V260-H266 HydrophobicContact CG2-CB 3.83Å; P263-H266 PolarHBondContact O-ND1 2.99Å; R264-H266 PolarHBondContact O-N 3.04Å; H266-P268 WeakPolarHBondContact O-CD 3.22Å
267F94.4Very high90.3Very high1 Ų127.3 Ų27.30%0.00415%0.148CC..  trans-108.275.9-177.6-57.3-85.4000112.2T191 L195 A201 M203 I384 W388 L428T191-F267 HydrophobicContact CG2-CZ 4.08Å; L195-F267 HydrophobicContact CD1-CE2 3.59Å; L195-F267 HydrophobicContact CD1-CZ 3.64Å; A201-F267 HydrophobicContact CB-CD1 3.66Å; A201-F267 HydrophobicContact CB-CE1 3.7Å; A201-F267 WeakPolarHBondContact O-CA 3.35Å; M203-F267 HydrophobicContact CG-CD1 4.2Å; M203-F267 HydrophobicContact SD-CB 4.31Å; M203-F267 HydrophobicContact SD-CD1 4.02Å; M203-F267 HydrophobicContact SD-CG 4.42Å; F267-I384 HydrophobicContact CB-CD1 3.98Å; F267-I384 VanDerWaalsContact O-CD1 3.3Å; F267-I384 WeakPolarHBondContact O-CD1 3.37Å; F267-W388 AromaticContact CD1-CZ2 3.75Å; F267-W388 HydrophobicContact CD1-CZ2 3.75Å; F267-W388 HydrophobicContact CD2-CZ2 4.18Å; F267-W388 HydrophobicContact CE1-CH2 4.11Å; F267-W388 AromaticContact CE1-CZ2 3.67Å; F267-W388 HydrophobicContact CE1-CZ2 3.67Å; F267-W388 HydrophobicContact CE2-CZ2 4.1Å; F267-W388 HydrophobicContact CG-CZ2 4Å; F267-W388 HydrophobicContact CZ-CH2 4.35Å; F267-W388 AromaticContact CZ-CZ2 3.85Å; F267-W388 HydrophobicContact CZ-CZ2 3.85Å; F267-L428 HydrophobicContact CE2-CD2 4.09Å
268P92.3Very high90.2Very high0 Ų024.5 Ų24.50%014%0.136CC..PPolyproline II helixtrans-68.5138.4176.529-35.2000111.7C200 A201 F202 L259 H266C200-P268 WeakPolarHBondContact SG-CG 3.43Å; A201-P268 WeakPolarHBondContact O-CD 3.15Å; F202-P268 HydrophobicContact CD1-CB 4.49Å; F202-P268 HydrophobicContact CD1-CG 3.61Å; F202-P268 HydrophobicContact CE1-CB 4.34Å; F202-P268 HydrophobicContact CE1-CG 3.47Å; F202-P268 VanDerWaalsContact CE1-CG 3.47Å; F202-P268 HydrophobicContact CZ-CG 4.39Å; L259-P268 HydrophobicContact CD1-CB 4.17Å; L259-P268 HydrophobicContact CD1-CG 4.21Å; H266-P268 WeakPolarHBondContact O-CD 3.22Å
269L91Very high90Very high0 Ų030.6 Ų30.60%016%0.163CC..EExtended strand (participates in β ladder)trans-76.4129.3170.4-178.165.4000110.2Q301 V303 L378 S379 T381L269-Q301 HydrophobicContact CD2-CB 4.35Å; L269-Q301 HydrophobicContact CD2-CG 4.3Å; L269-Q301 VanDerWaalsContact CD2-NE2 3.28Å; L269-V303 HydrophobicContact CD1-CB 3.45Å; L269-V303 VanDerWaalsContact CD1-CB 3.45Å; L269-V303 HydrophobicContact CD1-CG2 3.66Å; L269-L378 CarbonylContact O-C 3.54Å; L269-L378 WeakPolarHBondContact O-CA 3.15Å; L269-S379 WeakPolarHBondContact CB-O 3.39Å; L269-S379 PolarHBondContact N-O 2.7Å; L269-S379 PolarHBondContact O-N 3.16Å; L269-T381 HydrophobicContact CB-CG2 4.33Å; L269-T381 HydrophobicContact CD2-CG2 4.22Å
270A92.6Very high89.7Confident3 Ų335.2 Ų35.23%0.02518%0.183CC..EExtended strand (participates in β ladder)trans-93.4139169.500000111.2I234 M302 M377 L378I234-A270 HydrophobicContact CG2-CB 4.18Å; A270-M302 HydrophobicContact CB-CB 4.34Å; A270-M302 HydrophobicContact CB-CG 4.11Å; A270-M302 VanDerWaalsContact O-CB 3.23Å; A270-M302 WeakPolarHBondContact O-CB 3.4Å; A270-M302 WeakPolarHBondContact O-CG 3.06Å; A270-M302 PolarHBondContact O-N 2.95Å; A270-M377 CarbonylContact C-O 3.38Å; A270-M377 WeakPolarHBondContact CA-O 3.32Å; A270-L378 HydrophobicContact CB-CD2 3.9Å
271T94.5Very high88.7Confident0 Ų036.1 Ų36.10%019%0.192CC..EExtended strand (participates in β ladder)trans-134.3139.1170.9-53.90000108.6C295 N300 Q301 C376 M377T271-C295 HydrophobicContact CG2-CB 4.32Å; T271-C295 VanDerWaalsContact CG2-O 3.32Å; T271-C295 WeakPolarHBondContact CG2-O 3.46Å; T271-N300 HydrophobicContact CG2-CB 3.86Å; T271-N300 WeakPolarHBondContact CG2-O 3.3Å; T271-Q301 HydrophobicContact CG2-CG 4.31Å; T271-C376 CarbonylContact O-C 3.56Å; T271-C376 WeakPolarHBondContact O-CA 3.49Å; T271-M377 PolarHBondContact N-O 3.09Å; T271-M377 PolarHBondContact O-N 2.81Å
272Y94.3Very high87.7Confident6 Ų643.8 Ų43.82%0.02422%0.216CC..EExtended strand (participates in β ladder)trans-128.9134.7-179.3-177-96.4000111.7I234 S237 V275 A374 C376I234-Y272 HydrophobicContact CG1-CD2 4.41Å; I234-Y272 HydrophobicContact CG1-CG 4.11Å; S237-Y272 WeakPolarHBondContact OG-CE2 3.27Å; Y272-V275 HydrophobicContact CD1-CG2 3.77Å; Y272-V275 HydrophobicContact CE1-CG2 4.36Å; Y272-A374 HydrophobicContact CE2-CB 4.05Å; Y272-A374 WeakPolarHBondContact OH-CB 3.36Å; Y272-C376 HydrophobicContact CD2-CB 4.11Å
273A94.1Very high86.5Confident1 Ų146.4 Ų46.41%0.00823%0.232CC..EExtended strand (participates in β ladder)trans-146.1145.9175.900000111.3A294 A374 V375A273-A294 HydrophobicContact CB-CB 3.78Å; A273-A374 CarbonylContact O-C 3.58Å; A273-A374 WeakPolarHBondContact O-CA 3.15Å; A273-V375 HydrophobicContact CB-CG1 4.25Å; A273-V375 PolarHBondContact N-O 2.85Å; A273-V375 PolarHBondContact O-N 3.19Å; A273-V375 VanDerWaalsContact O-O 3.13Å
274P92.8Very high85.4Confident13 Ų1347.5 Ų47.58%0.08423%0.228CC..  cis-89.2152-3.537.7-35.2000112I276 L286 I291 V371 R373P274-I276 HydrophobicContact CB-CD1 3.97Å; P274-I276 HydrophobicContact CB-CG1 3.98Å; P274-I276 HydrophobicContact CG-CD1 4.17Å; P274-I276 HydrophobicContact CG-CG1 4.48Å; P274-L286 HydrophobicContact CB-CD1 3.4Å; P274-L286 HydrophobicContact CG-CD1 3.97Å; P274-I291 HydrophobicContact CB-CG2 4.34Å; P274-I291 HydrophobicContact CG-CG2 4.19Å; P274-V371 HydrophobicContact CG-CB 4.48Å; P274-V371 HydrophobicContact CG-CG1 4.1Å; P274-R373 WeakPolarHBondContact CD-O 3.12Å
275V90.8Very high84.5Confident9 Ų953.2 Ų53.26%0.05526%0.257CS..  trans-109.8105.6169.2179.60000107.1I212 N216 L217 L230 Y272 L368I212-V275 HydrophobicContact CG2-CB 4.17Å; I212-V275 HydrophobicContact CG2-CG1 3.74Å; I212-V275 HydrophobicContact CG2-CG2 4.1Å; N216-V275 HydrophobicContact CB-CB 4.19Å; N216-V275 HydrophobicContact CB-CG1 3.82Å; N216-V275 WeakPolarHBondContact CB-O 3.25Å; N216-V275 PolarHBondContact ND2-O 3.39Å; L217-V275 HydrophobicContact CD2-CG1 3.69Å; L217-V275 HydrophobicContact CG-CG1 4.03Å; L230-V275 HydrophobicContact CD1-CG2 4.12Å; Y272-V275 HydrophobicContact CD1-CG2 3.77Å; Y272-V275 HydrophobicContact CE1-CG2 4.36Å; V275-L368 HydrophobicContact CG1-CD2 3.94Å
276I89.3Confident84.1Confident30 Ų3055.5 Ų55.515%0.15427%0.269CS..  trans-129133.5-174.9-52.7176.2000109P274 K280 L286 A369 V371P274-I276 HydrophobicContact CB-CD1 3.97Å; P274-I276 HydrophobicContact CB-CG1 3.98Å; P274-I276 HydrophobicContact CG-CD1 4.17Å; P274-I276 HydrophobicContact CG-CG1 4.48Å; I276-K280 HydrophobicContact CG2-CB 3.94Å; I276-L286 HydrophobicContact CD1-CD1 3.91Å; I276-A369 HydrophobicContact CB-CB 4.2Å; I276-A369 HydrophobicContact CG2-CB 4.27Å; I276-A369 PolarHBondContact O-N 3.13Å; I276-V371 HydrophobicContact CD1-CG1 4.4Å
277S87.4Confident84.1Confident9 Ų957.5 Ų57.56%0.06328%0.284CS..BIsolated β-bridgetrans-58.8141.3171.3176.80000111.9N216 E279 K280 A281N216-S277 PolarHBondContact O-N 3.44Å; S277-E279 PolarHBondContact O-N 3.02Å; S277-E279 PolarHBondContact OG-N 3.28Å; S277-K280 PolarHBondContact O-N 2.73Å; S277-A281 PolarHBondContact O-N 3.26Å
278A83Confident84.1Confident47 Ų4757.6 Ų57.639%0.38828%0.284SS..THydrogen-bonded Turntrans-52.1-28.2173.900000113.6D367A278-D367 PolarHBondContact N-O 3.31Å
279E79.5Confident84.2Confident163 Ų16359.5 Ų59.576%0.76230%0.3SS*.THydrogen-bonded Turntrans-75.4-30.9178.8-59.9-172.7168.400113.2S277S277-E279 PolarHBondContact O-N 3.02Å; S277-E279 PolarHBondContact OG-N 3.28Å
280K77.8Confident84.3Confident97 Ų9763.1 Ų63.142%0.42232%0.319SS..THydrogen-bonded Turntrans-90.8-3.1-175.6-70.1175.3175.8164.80113.5D218 I276 S277 Y282 H283D218-K280 IonicContact OD1-NZ 3.47Å; D218-K280 PolarHBondContact OD1-NZ 2.97Å; D218-K280 WeakPolarHBondContact OD2-CE 3.26Å; D218-K280 IonicContact OD2-NZ 3.74Å; D218-K280 PolarHBondContact OD2-NZ 3.48Å; I276-K280 HydrophobicContact CG2-CB 3.94Å; S277-K280 PolarHBondContact O-N 2.73Å; K280-Y282 PolarHBondContact O-N 3.32Å; K280-Y282 VanDerWaalsContact O-N 3.08Å; K280-H283 PolarHBondContact O-N 3.29Å
281A68.4Low84.4Confident36 Ų3663 Ų6330%0.29832%0.318SS..THydrogen-bonded Turntrans-56-28.9-172.300000115.5S277 A369S277-A281 PolarHBondContact O-N 3.26Å; A281-A369 HydrophobicContact CB-CB 3.49Å; A281-A369 VanDerWaalsContact CB-CB 3.49Å
282Y64.3Low84.4Confident212 Ų21263 Ų6383%0.83132%0.318SS*.THydrogen-bonded Turntrans-84.1-11.3-173.5-65-79.2000114.3K280K280-Y282 PolarHBondContact O-N 3.32Å; K280-Y282 VanDerWaalsContact O-N 3.08Å
283H63.5Low84.4Confident161 Ų16164.9 Ų64.975%0.74533%0.329SS*.THydrogen-bonded Turntrans-94.4-24.3-168.3-69.3-64.3000114K280K280-H283 PolarHBondContact O-N 3.29Å
284E65.1Low84.3Confident135 Ų13565.8 Ų65.863%0.63134%0.336SS*.  trans-143121-172.5-65.1-178.5-178.900112.2
285Q72.1Confident84.3Confident190 Ų19065.2 Ų65.289%0.88833%0.332SS*.  trans-97.2108.8163.7-70.9-172.2-8.300108.4
286L86.3Confident84.3Confident52 Ų5265.9 Ų65.927%0.27233%0.334SS..  trans-77.6134.4-179.7-63.8170.5000110.7P274 I276 D290 I291 R373P274-L286 HydrophobicContact CB-CD1 3.4Å; P274-L286 HydrophobicContact CG-CD1 3.97Å; I276-L286 HydrophobicContact CD1-CD1 3.91Å; L286-D290 HydrophobicContact CB-CB 4.28Å; L286-D290 HydrophobicContact CD2-CB 4.1Å; L286-I291 HydrophobicContact CB-CG2 3.66Å; L286-I291 HydrophobicContact CD1-CG2 4.11Å; L286-R373 WeakPolarHBondContact O-CD 3.5Å
287S92.9Very high84.4Confident43 Ų4369.3 Ų69.330%0.30135%0.35SS..  trans-74.8168.5174.775.40000111.2A289 D290 I291S287-A289 PolarHBondContact O-N 3.25Å; S287-A289 PolarHBondContact OG-N 2.64Å; S287-D290 VanDerWaalsContact CB-OD2 3.25Å; S287-D290 WeakPolarHBondContact CB-OD2 3.43Å; S287-D290 PolarHBondContact N-OD2 3.11Å; S287-D290 PolarHBondContact O-N 3.06Å; S287-D290 PolarHBondContact OG-N 2.76Å; S287-D290 PolarHBondContact OG-OD2 2.9Å; S287-I291 PolarHBondContact O-N 3.12Å
288V93.9Very high84.4Confident3 Ų371.1 Ų71.12%0.01836%0.361CS..Hα-helixtrans-57.6-42.2173177.90000110D290 I291 T292 Y319 V323 D327 V328V288-D290 VanDerWaalsContact C-N 3.34Å; V288-D290 PolarHBondContact O-N 3.13Å; V288-I291 VanDerWaalsContact O-CG1 3.22Å; V288-I291 WeakPolarHBondContact O-CG1 3.42Å; V288-I291 PolarHBondContact O-N 3.29Å; V288-T292 WeakPolarHBondContact O-CB 3.24Å; V288-T292 PolarHBondContact O-N 3.24Å; V288-T292 PolarHBondContact O-OG1 2.89Å; V288-Y319 HydrophobicContact CG1-CE1 3.94Å; V288-V323 HydrophobicContact CG1-CG1 4.39Å; V288-V323 HydrophobicContact CG2-CG1 4.08Å; V288-D327 HydrophobicContact CB-CB 4.11Å; V288-D327 HydrophobicContact CG1-CB 4.39Å; V288-D327 HydrophobicContact CG2-CB 4.17Å; V288-V328 HydrophobicContact CG1-CG2 3.79Å
289A94.5Very high84.8Confident39 Ų3970.4 Ų70.432%0.32236%0.356SS..Hα-helixtrans-62.8-39.2179.300000112.6S287 T292 N293 A331S287-A289 PolarHBondContact O-N 3.25Å; S287-A289 PolarHBondContact OG-N 2.64Å; A289-T292 PolarHBondContact O-N 3.2Å; A289-N293 WeakPolarHBondContact O-CB 3.4Å; A289-N293 VanDerWaalsContact O-CG 3.24Å; A289-N293 PolarHBondContact O-N 3.13Å; A289-N293 PolarHBondContact O-ND2 3.2Å; A289-A331 HydrophobicContact CB-CB 4.31Å
290D93.6Very high85.3Confident77 Ų7763.2 Ų63.241%0.41232%0.322SS..Hα-helixtrans-66.4-47.7-179.3-56.7-42.3000111.3L286 S287 V288 T292 N293 A294L286-D290 HydrophobicContact CB-CB 4.28Å; L286-D290 HydrophobicContact CD2-CB 4.1Å; S287-D290 VanDerWaalsContact CB-OD2 3.25Å; S287-D290 WeakPolarHBondContact CB-OD2 3.43Å; S287-D290 PolarHBondContact N-OD2 3.11Å; S287-D290 PolarHBondContact O-N 3.06Å; S287-D290 PolarHBondContact OG-N 2.76Å; S287-D290 PolarHBondContact OG-OD2 2.9Å; V288-D290 VanDerWaalsContact C-N 3.34Å; V288-D290 PolarHBondContact O-N 3.13Å; D290-T292 VanDerWaalsContact C-N 3.35Å; D290-T292 PolarHBondContact O-N 3.3Å; D290-N293 PolarHBondContact O-N 3.36Å; D290-A294 PolarHBondContact O-N 3.17Å
291I94.4Very high86Confident1 Ų158.8 Ų58.81%0.00530%0.303CS..Hα-helixtrans-67.2-35.917968176.2000111.6P274 L286 S287 V288 A294 C295 Y319 R373 V375P274-I291 HydrophobicContact CB-CG2 4.34Å; P274-I291 HydrophobicContact CG-CG2 4.19Å; L286-I291 HydrophobicContact CB-CG2 3.66Å; L286-I291 HydrophobicContact CD1-CG2 4.11Å; S287-I291 PolarHBondContact O-N 3.12Å; V288-I291 VanDerWaalsContact O-CG1 3.22Å; V288-I291 WeakPolarHBondContact O-CG1 3.42Å; V288-I291 PolarHBondContact O-N 3.29Å; I291-A294 PolarHBondContact O-N 3.43Å; I291-C295 PolarHBondContact O-N 3.44Å; I291-Y319 HydrophobicContact CD1-CD1 4.28Å; I291-Y319 HydrophobicContact CD1-CE1 4.3Å; I291-R373 HydrophobicContact CD1-CB 4.3Å; I291-R373 HydrophobicContact CD1-CG 4.02Å; I291-V375 HydrophobicContact CB-CG1 3.85Å; I291-V375 HydrophobicContact CD1-CB 4.25Å; I291-V375 HydrophobicContact CD1-CG1 3.92Å; I291-V375 HydrophobicContact CG1-CG1 3.76Å
292T94.9Very high86.9Confident0 Ų057.1 Ų57.10%029%0.289CS..Hα-helixtrans-65.6-40.6174.5-51.90000111.2V288 A289 D290 A294 C295 F296 L317 Y319 A331 I335V288-T292 WeakPolarHBondContact O-CB 3.24Å; V288-T292 PolarHBondContact O-N 3.24Å; V288-T292 PolarHBondContact O-OG1 2.89Å; A289-T292 PolarHBondContact O-N 3.2Å; D290-T292 VanDerWaalsContact C-N 3.35Å; D290-T292 PolarHBondContact O-N 3.3Å; T292-A294 VanDerWaalsContact C-N 3.34Å; T292-C295 WeakPolarHBondContact O-CB 3.34Å; T292-C295 PolarHBondContact O-N 2.83Å; T292-F296 WeakPolarHBondContact O-CD2 3.24Å; T292-L317 HydrophobicContact CG2-CD1 4.27Å; T292-Y319 WeakPolarHBondContact CG2-OH 3.5Å; T292-Y319 PolarHBondContact OG1-OH 3.05Å; T292-A331 HydrophobicContact CG2-CB 4.15Å; T292-I335 HydrophobicContact CG2-CG1 4.02Å
293N93Very high88.1Confident45 Ų4547 Ų4724%0.24125%0.25CC..Hα-helixtrans-63.2-41.8175.6-78.2-48.4000111.6A289 D290 C295 F296 I335 K338A289-N293 WeakPolarHBondContact O-CB 3.4Å; A289-N293 VanDerWaalsContact O-CG 3.24Å; A289-N293 PolarHBondContact O-N 3.13Å; A289-N293 PolarHBondContact O-ND2 3.2Å; D290-N293 PolarHBondContact O-N 3.36Å; N293-C295 PolarHBondContact O-N 2.94Å; N293-F296 PolarHBondContact O-N 2.85Å; N293-I335 WeakPolarHBondContact OD1-CD1 3.23Å; N293-K338 PolarHBondContact OD1-NZ 3.39Å
294A93.2Very high89.3Confident20 Ų2042.5 Ų42.517%0.16523%0.228CC..Hα-helixtrans-61.1-28.1178.300000113A273 D290 I291 T292 F296 E297 N300A273-A294 HydrophobicContact CB-CB 3.78Å; D290-A294 PolarHBondContact O-N 3.17Å; I291-A294 PolarHBondContact O-N 3.43Å; T292-A294 VanDerWaalsContact C-N 3.34Å; A294-F296 PolarHBondContact O-N 3.45Å; A294-E297 PolarHBondContact O-N 2.6Å; A294-N300 PolarHBondContact O-ND2 3.11Å
295C92.9Very high90.4Very high0 Ų036.7 Ų36.70%020%0.202CC..THydrogen-bonded Turntrans-64.7-22.7173.9-70.60000114.2T271 I291 T292 N293 V375 M377T271-C295 HydrophobicContact CG2-CB 4.32Å; T271-C295 VanDerWaalsContact CG2-O 3.32Å; T271-C295 WeakPolarHBondContact CG2-O 3.46Å; I291-C295 PolarHBondContact O-N 3.44Å; T292-C295 WeakPolarHBondContact O-CB 3.34Å; T292-C295 PolarHBondContact O-N 2.83Å; N293-C295 PolarHBondContact O-N 2.94Å; C295-V375 WeakPolarHBondContact SG-CG1 3.24Å; C295-M377 HydrophobicContact CB-CB 3.83Å; C295-M377 HydrophobicContact CB-CE 4.23Å; C295-M377 HydrophobicContact CB-CG 4.45Å; C295-M377 HydrophobicContact CB-SD 3.82Å; C295-M377 WeakPolarHBondContact O-CE 3.38Å
296F90.8Very high91.2Very high23 Ų2329.6 Ų29.610%0.10117%0.17CC..THydrogen-bonded Turntrans-975.6177.9-69.5-81.4000112.8T292 N293 A294 I335 I341 F351 M377T292-F296 WeakPolarHBondContact O-CD2 3.24Å; N293-F296 PolarHBondContact O-N 2.85Å; A294-F296 PolarHBondContact O-N 3.45Å; F296-I335 HydrophobicContact CD2-CD1 3.72Å; F296-I335 HydrophobicContact CD2-CG1 4.16Å; F296-I335 HydrophobicContact CD2-CG2 4Å; F296-I335 HydrophobicContact CE1-CG2 4.34Å; F296-I335 HydrophobicContact CE2-CB 4.46Å; F296-I335 HydrophobicContact CE2-CD1 4.16Å; F296-I335 HydrophobicContact CE2-CG1 4.08Å; F296-I335 HydrophobicContact CE2-CG2 3.54Å; F296-I335 HydrophobicContact CG-CD1 4.49Å; F296-I335 HydrophobicContact CZ-CG2 3.74Å; F296-I341 HydrophobicContact CB-CD1 4.18Å; F296-I341 HydrophobicContact CD1-CD1 3.49Å; F296-I341 VanDerWaalsContact CD1-CD1 3.49Å; F296-I341 HydrophobicContact CD1-CG1 4.04Å; F296-I341 HydrophobicContact CD2-CD1 4.25Å; F296-I341 HydrophobicContact CE1-CD1 3.9Å; F296-I341 HydrophobicContact CE1-CG2 4.22Å; F296-I341 HydrophobicContact CG-CD1 3.69Å; F296-I341 HydrophobicContact CZ-CD1 4.45Å; F296-F351 HydrophobicContact CE2-CE1 4.29Å; F296-F351 AromaticContact CZ-CE1 3.66Å; F296-F351 HydrophobicContact CZ-CE1 3.66Å; F296-F351 AromaticContact CZ-CZ 3.77Å; F296-F351 HydrophobicContact CZ-CZ 3.77Å; F296-M377 HydrophobicContact CD1-CE 4.32Å; F296-M377 HydrophobicContact CD1-SD 4.28Å; F296-M377 HydrophobicContact CD2-SD 4.33Å; F296-M377 HydrophobicContact CE1-CE 4.15Å; F296-M377 HydrophobicContact CE1-SD 3.71Å; F296-M377 HydrophobicContact CE2-SD 3.74Å; F296-M377 HydrophobicContact CZ-CE 4.41Å; F296-M377 HydrophobicContact CZ-SD 3.38Å; F296-M377 WeakPolarHBondContact CZ-SD 3.44Å
297E90.5Very high91.2Very high103 Ų10327.4 Ų27.448%0.48116%0.159SC..SBendtrans-87.6125172.6-64-172.9168.600109.8A294 A299 N300A294-E297 PolarHBondContact O-N 2.6Å; E297-A299 HydrophobicContact CB-CB 4.37Å; E297-A299 PolarHBondContact O-N 2.83Å; E297-N300 PolarHBondContact O-N 3.25Å
298P88.4Confident90.9Very high46 Ų4632.8 Ų32.830%0.29917%0.173SC..G310 helixtrans-54.8-26.1178.1-26.934.8000113.3N300 Q301P298-N300 PolarHBondContact O-N 3.25Å; P298-Q301 PolarHBondContact O-N 3.25Å
299A90.1Very high90.6Very high33 Ų3339.4 Ų39.427%0.27320%0.203SC..G310 helixtrans-53.8-35.1175.100000114.4I212 R215 E297I212-A299 WeakPolarHBondContact CG1-O 2.95Å; R215-A299 PolarHBondContact NH2-O 3.5Å; E297-A299 HydrophobicContact CB-CB 4.37Å; E297-A299 PolarHBondContact O-N 2.83Å
300N91.1Very high90.3Very high11 Ų1137.9 Ų37.96%0.05919%0.191CC..G310 helixtrans-100.23.3-171.5-60.4-45000113.1T271 A294 E297 P298T271-N300 HydrophobicContact CG2-CB 3.86Å; T271-N300 WeakPolarHBondContact CG2-O 3.3Å; A294-N300 PolarHBondContact O-ND2 3.11Å; E297-N300 PolarHBondContact O-N 3.25Å; P298-N300 PolarHBondContact O-N 3.25Å
301Q91.1Very high90.2Very high4 Ų435.3 Ų35.32%0.01918%0.176CC..BIsolated β-bridgetrans-78.4146.9-174.3-57.6-168.9-51.600111.5A208 L269 T271 P298 V303 C305 P307A208-Q301 WeakPolarHBondContact CB-O 3.27Å; L269-Q301 HydrophobicContact CD2-CB 4.35Å; L269-Q301 HydrophobicContact CD2-CG 4.3Å; L269-Q301 VanDerWaalsContact CD2-NE2 3.28Å; T271-Q301 HydrophobicContact CG2-CG 4.31Å; P298-Q301 PolarHBondContact O-N 3.25Å; Q301-V303 VanDerWaalsContact C-N 3.32Å; Q301-C305 PolarHBondContact OE1-O 2.86Å; Q301-P307 VanDerWaalsContact OE1-CD 3.32Å; Q301-P307 VanDerWaalsContact OE1-CG 3.28Å
302M87.8Confident90Very high1 Ų135.5 Ų35.51%0.00518%0.177CC..SBendtrans-86.2-4.4-179.1-59.9-59.3156.300113.5D205 I209 I212 I234 A270D205-M302 WeakPolarHBondContact CA-O 3.3Å; D205-M302 WeakPolarHBondContact CB-O 3.47Å; D205-M302 PolarHBondContact N-O 3.37Å; I209-M302 HydrophobicContact CG1-SD 3.89Å; I212-M302 HydrophobicContact CD1-CE 4.02Å; I212-M302 HydrophobicContact CD1-SD 4.08Å; I234-M302 HydrophobicContact CD1-CE 3.22Å; I234-M302 HydrophobicContact CD1-CG 3.89Å; I234-M302 HydrophobicContact CD1-SD 3.34Å; I234-M302 WeakPolarHBondContact CD1-SD 3.15Å; I234-M302 HydrophobicContact CG1-CE 3.97Å; A270-M302 HydrophobicContact CB-CB 4.34Å; A270-M302 HydrophobicContact CB-CG 4.11Å; A270-M302 VanDerWaalsContact O-CB 3.23Å; A270-M302 WeakPolarHBondContact O-CB 3.4Å; A270-M302 WeakPolarHBondContact O-CG 3.06Å; A270-M302 PolarHBondContact O-N 2.95Å
303V89.6Confident89.8Confident1 Ų135.7 Ų35.71%0.00618%0.178CC..SBendtrans-131.6136.3171.7-176.10000107.9M203 D205 L269 Q301 C305 A387M203-V303 HydrophobicContact CB-CG2 3.8Å; M203-V303 HydrophobicContact CE-CG1 4.2Å; M203-V303 HydrophobicContact CE-CG2 4.4Å; M203-V303 WeakPolarHBondContact O-CG2 3.25Å; D205-V303 HydrophobicContact CB-CB 4.37Å; D205-V303 HydrophobicContact CB-CG1 4.4Å; D205-V303 HydrophobicContact CB-CG2 4.42Å; L269-V303 HydrophobicContact CD1-CB 3.45Å; L269-V303 VanDerWaalsContact CD1-CB 3.45Å; L269-V303 HydrophobicContact CD1-CG2 3.66Å; Q301-V303 VanDerWaalsContact C-N 3.32Å; V303-C305 PolarHBondContact O-N 2.91Å; V303-A387 HydrophobicContact CG1-CB 3.92Å
304K88.9Confident89.6Confident66 Ų6633.9 Ų33.929%0.28717%0.169SC..  trans-72.597.6174.1-70-167.3174-168.90110.6D205 E207 A208 D211 R390D205-K304 PolarHBondContact OD2-N 2.84Å; E207-K304 HydrophobicContact CB-CD 4.22Å; E207-K304 HydrophobicContact CG-CD 4.29Å; E207-K304 IonicContact OE1-NZ 3.78Å; E207-K304 PolarHBondContact OE1-NZ 3.01Å; A208-K304 HydrophobicContact CB-CG 4.07Å; D211-K304 WeakPolarHBondContact OD2-CE 3.43Å; D211-K304 IonicContact OD2-NZ 3.58Å; D211-K304 PolarHBondContact OD2-NZ 2.86Å; K304-R390 VanDerWaalsContact O-CZ 3.27Å; K304-R390 PolarHBondContact O-NH1 2.88Å; K304-R390 PolarHBondContact O-NH2 3.47Å
305C88.4Confident89.5Confident12 Ų1233 Ų338%0.08116%0.162CC..  trans-145162.4164.954.30000108.7Q301 V303 P307 A383 E386Q301-C305 PolarHBondContact OE1-O 2.86Å; V303-C305 PolarHBondContact O-N 2.91Å; C305-P307 WeakPolarHBondContact O-CD 3.3Å; C305-A383 HydrophobicContact CB-CB 4.3Å; C305-A383 VanDerWaalsContact CB-O 3.24Å; C305-A383 WeakPolarHBondContact CB-O 3.48Å; C305-E386 WeakPolarHBondContact CA-OE2 3.23Å; C305-E386 HydrophobicContact CB-CB 4.42Å
306D88.3Confident89.3Confident41 Ų4133.1 Ų33.122%0.21916%0.162CC..  trans-100.7104.8169.3-166.1-16.5000110.5R308 H309 A383 E386D306-R308 PolarHBondContact O-N 3.21Å; D306-R308 WeakPolarHBondContact OD1-CB 3.26Å; D306-R308 WeakPolarHBondContact OD1-CD 2.73Å; D306-R308 VanDerWaalsContact OD1-CG 3.23Å; D306-R308 WeakPolarHBondContact OD1-CG 3.32Å; D306-R308 PolarHBondContact OD1-N 3.25Å; D306-H309 PolarHBondContact O-N 2.7Å; D306-H309 IonicContact OD2-CE1 2.69Å; D306-H309 IonicContact OD2-NE2 3.9Å; D306-A383 WeakPolarHBondContact O-CB 3.29Å; D306-E386 PolarHBondContact N-OE2 3.22Å; D306-E386 VanDerWaalsContact N-OE2 3.12Å
307P86.1Confident89.4Confident6 Ų632 Ų324%0.03916%0.158CC..G310 helixtrans-62.4-14.9178.8-16.427.3000114Q301 C305 G310 Y312Q301-P307 VanDerWaalsContact OE1-CD 3.32Å; Q301-P307 VanDerWaalsContact OE1-CG 3.28Å; C305-P307 WeakPolarHBondContact O-CD 3.3Å; P307-G310 PolarHBondContact O-N 3Å; P307-Y312 HydrophobicContact CB-CE2 4.22Å; P307-Y312 WeakPolarHBondContact CB-OH 3.41Å
308R86.6Confident89.5Confident157 Ų15727.6 Ų27.659%0.59214%0.137SC*.G310 helixtrans-73.4-20.4177.6-58.7167.1-177.9172.42112.1D306 G310D306-R308 PolarHBondContact O-N 3.21Å; D306-R308 WeakPolarHBondContact OD1-CB 3.26Å; D306-R308 WeakPolarHBondContact OD1-CD 2.73Å; D306-R308 VanDerWaalsContact OD1-CG 3.23Å; D306-R308 WeakPolarHBondContact OD1-CG 3.32Å; D306-R308 PolarHBondContact OD1-N 3.25Å; R308-G310 VanDerWaalsContact C-N 3.35Å
309H87.7Confident89.7Confident141 Ų14125.5 Ų25.565%0.65312%0.123SC*.G310 helixtrans-88.9-5.1172.9-57151.3000112.7D306 E386D306-H309 PolarHBondContact O-N 2.7Å; D306-H309 IonicContact OD2-CE1 2.69Å; D306-H309 IonicContact OD2-NE2 3.9Å; H309-E386 IonicContact ND1-OE1 3.22Å; H309-E386 PolarHBondContact ND1-OE1 3.02Å
310G88.8Confident89.8Confident7 Ų724.1 Ų24.17%0.07211%0.111CC..SBendtrans-116.5179.7178.900000112.9P307 R308 T382P307-G310 PolarHBondContact O-N 3Å; R308-G310 VanDerWaalsContact C-N 3.35Å; G310-T382 VanDerWaalsContact CA-OG1 3.3Å; G310-T382 WeakPolarHBondContact CA-OG1 3.28Å
311K90.6Very high89.8Confident23 Ų2323.6 Ų23.610%0.111%0.108CC..  trans-116.2145.8171.3-66.7-179.5-178.9168.70109.6Q342 V344 T381 T382 G436 D438K311-Q342 WeakPolarHBondContact CA-O 3.37Å; K311-Q342 HydrophobicContact CG-CB 4.5Å; K311-V344 HydrophobicContact CB-CG1 3.81Å; K311-V344 HydrophobicContact CD-CG1 4.35Å; K311-T381 VanDerWaalsContact O-CA 3.26Å; K311-T381 WeakPolarHBondContact O-CA 3.39Å; K311-T381 PolarHBondContact O-OG1 3.39Å; K311-T382 PolarHBondContact N-OG1 3.05Å; K311-T382 PolarHBondContact O-N 2.88Å; K311-G436 WeakPolarHBondContact CD-O 3.37Å; K311-G436 VanDerWaalsContact CE-O 3.31Å; K311-G436 WeakPolarHBondContact CE-O 3.46Å; K311-G436 PolarHBondContact NZ-O 3.46Å; K311-D438 IonicContact NZ-OD1 3.84Å; K311-D438 PolarHBondContact NZ-OD1 2.84Å; K311-D438 IonicContact NZ-OD2 3.56Å; K311-D438 PolarHBondContact NZ-OD2 3.28Å
312Y90.9Very high89.8Confident6 Ų627.7 Ų27.72%0.02413%0.131CC..EExtended strand (participates in β ladder)trans-85.9126.9173.9-71.2-84.1000109.9P307 I341 Q342 F343 V344P307-Y312 HydrophobicContact CB-CE2 4.22Å; P307-Y312 WeakPolarHBondContact CB-OH 3.41Å; Y312-I341 HydrophobicContact CD2-CG2 3.96Å; Y312-I341 HydrophobicContact CE2-CG2 4.03Å; Y312-Q342 WeakPolarHBondContact CD2-O 3.46Å; Y312-Q342 PolarHBondContact N-O 2.63Å; Y312-F343 VanDerWaalsContact O-CA 3.26Å; Y312-F343 WeakPolarHBondContact O-CA 3.46Å; Y312-F343 WeakPolarHBondContact O-CD1 3.38Å; Y312-V344 PolarHBondContact O-N 2.82Å
313M90.6Very high90Very high3 Ų327.8 Ų27.82%0.01513%0.131CC..EExtended strand (participates in β ladder)trans-91.1-38.9171.5-66.7166.4-8900111.2P261 I265 V344 W346 C347 N380 T382 Y432 V435P261-M313 HydrophobicContact CG-CB 4.08Å; P261-M313 HydrophobicContact CG-CG 4.41Å; P261-M313 HydrophobicContact CG-SD 3.87Å; I265-M313 HydrophobicContact CG2-CE 3.62Å; I265-M313 HydrophobicContact CG2-SD 3.73Å; M313-V344 HydrophobicContact CG-CG1 4.09Å; M313-V344 HydrophobicContact CG-CG2 4.43Å; M313-W346 HydrophobicContact CB-CH2 4.08Å; M313-W346 HydrophobicContact CG-CH2 4.05Å; M313-W346 HydrophobicContact CG-CZ2 4.05Å; M313-C347 PolarHBondContact O-SG 2.86Å; M313-N380 HydrophobicContact CB-CB 4.44Å; M313-N380 HydrophobicContact CE-CB 4.35Å; M313-N380 WeakPolarHBondContact CE-OD1 3.41Å; M313-N380 PolarHBondContact N-O 3.46Å; M313-T382 HydrophobicContact CE-CG2 3.95Å; M313-Y432 HydrophobicContact CE-CE1 4.22Å; M313-V435 HydrophobicContact CG-CG1 3.84Å; M313-V435 HydrophobicContact SD-CG1 3.61Å
314A88.9Confident90.1Very high8 Ų831 Ų317%0.06615%0.15CC..EExtended strand (participates in β ladder)trans-149.5150.1-178.600000111.1N258 L259 S379 N380N258-A314 WeakPolarHBondContact O-CB 3.31Å; L259-A314 HydrophobicContact CD2-CB 4.28Å; A314-S379 CarbonylContact O-C 3.58Å; A314-S379 VanDerWaalsContact O-CA 3.27Å; A314-S379 WeakPolarHBondContact O-CA 3.48Å; A314-N380 HydrophobicContact CB-CB 4.22Å; A314-N380 PolarHBondContact N-O 2.98Å; A314-N380 PolarHBondContact O-N 3.22Å
315C90.4Very high90.2Very high1 Ų130.6 Ų30.61%0.00715%0.154CC..EExtended strand (participates in β ladder)trans-145.4124175.6-173.30000110.6F343 G350 F351 K352 M377 L378C315-F343 HydrophobicContact CB-CE1 4.25Å; C315-F343 HydrophobicContact CB-CZ 4.18Å; C315-G350 VanDerWaalsContact O-O 3.13Å; C315-F351 HydrophobicContact CB-CD1 4.07Å; C315-F351 HydrophobicContact CB-CE1 4.02Å; C315-F351 HydrophobicContact CB-CZ 4.48Å; C315-F351 CarbonylContact O-C 3.58Å; C315-F351 WeakPolarHBondContact O-CA 3.48Å; C315-F351 WeakPolarHBondContact SG-CE1 3.03Å; C315-K352 PolarHBondContact O-N 2.89Å; C315-M377 VanDerWaalsContact SG-SD 3.61Å; C315-L378 CarbonylContact C-O 3.59Å; C315-L378 WeakPolarHBondContact CA-O 3.38Å
316C90.4Very high90.4Very high2 Ų237.9 Ų37.91%0.01419%0.185CC..EExtended strand (participates in β ladder)trans-119.5128.3175.4-170.50000109.2L259 K352 M377 L378L259-C316 HydrophobicContact CD2-CB 3.91Å; C316-K352 CarbonylContact C-O 3.42Å; C316-K352 WeakPolarHBondContact CA-O 3.35Å; C316-K352 HydrophobicContact CB-CB 4.14Å; C316-M377 CarbonylContact O-C 3.53Å; C316-M377 WeakPolarHBondContact O-CA 3.4Å; C316-L378 HydrophobicContact CB-CB 4.34Å; C316-L378 PolarHBondContact N-O 3.33Å; C316-L378 PolarHBondContact O-N 3.38Å
317L92.3Very high90.6Very high0 Ų039.5 Ų39.50%019%0.193CC..EExtended strand (participates in β ladder)trans-110.7111.8178.2-68.4164.8000108.9T292 Y319 I332 F351 K352 V353 G354 V375 M377T292-L317 HydrophobicContact CG2-CD1 4.27Å; L317-Y319 HydrophobicContact CB-CD2 4.21Å; L317-Y319 HydrophobicContact CB-CE2 3.54Å; L317-Y319 HydrophobicContact CD1-CE2 4.33Å; L317-Y319 HydrophobicContact CG-CE2 4.47Å; L317-I332 HydrophobicContact CD1-CD1 3.89Å; L317-I332 HydrophobicContact CD1-CG1 3.79Å; L317-F351 HydrophobicContact CD1-CD1 3.68Å; L317-F351 HydrophobicContact CD1-CE1 3.95Å; L317-F351 HydrophobicContact CG-CD1 4.31Å; L317-K352 PolarHBondContact N-O 3.26Å; L317-V353 CarbonylContact O-C 3.36Å; L317-V353 WeakPolarHBondContact O-CA 3.43Å; L317-G354 PolarHBondContact O-N 3.09Å; L317-V375 HydrophobicContact CB-CG2 4.3Å; L317-V375 HydrophobicContact CD2-CG2 3.93Å; L317-M377 HydrophobicContact CD2-CB 3.72Å; L317-M377 HydrophobicContact CD2-CG 3.63Å; L317-M377 HydrophobicContact CD2-SD 4.01Å; L317-M377 HydrophobicContact CG-CG 4.46Å
318L92.3Very high91Very high10 Ų1039.2 Ų39.25%0.05219%0.192CC..EExtended strand (participates in β ladder)trans-101.896.5-179.4-57.1176000109.2V250 F255 V375 C376 L378V250-L318 HydrophobicContact CG2-CD2 4.35Å; F255-L318 HydrophobicContact CE1-CD1 4.24Å; F255-L318 HydrophobicContact CZ-CD1 4.34Å; L318-V375 WeakPolarHBondContact O-CA 3.28Å; L318-C376 HydrophobicContact CB-CB 4.34Å; L318-C376 WeakPolarHBondContact CB-O 3.5Å; L318-C376 PolarHBondContact N-O 3.14Å; L318-C376 PolarHBondContact O-N 2.71Å; L318-L378 HydrophobicContact CD1-CD1 3.87Å; L318-L378 HydrophobicContact CD1-CG 4.43Å
319Y93.4Very high91.2Very high2 Ų236.7 Ų36.71%0.00819%0.19CC..EExtended strand (participates in β ladder)trans-84.9143178.2-67.2-87.8000111.7V288 I291 T292 L317 V323 V328 V353 G354 I355 N356 A374 V375V288-Y319 HydrophobicContact CG1-CE1 3.94Å; I291-Y319 HydrophobicContact CD1-CD1 4.28Å; I291-Y319 HydrophobicContact CD1-CE1 4.3Å; T292-Y319 WeakPolarHBondContact CG2-OH 3.5Å; T292-Y319 PolarHBondContact OG1-OH 3.05Å; L317-Y319 HydrophobicContact CB-CD2 4.21Å; L317-Y319 HydrophobicContact CB-CE2 3.54Å; L317-Y319 HydrophobicContact CD1-CE2 4.33Å; L317-Y319 HydrophobicContact CG-CE2 4.47Å; Y319-V323 HydrophobicContact CD1-CG1 3.96Å; Y319-V323 HydrophobicContact CD1-CG2 4.28Å; Y319-V323 HydrophobicContact CG-CG1 3.97Å; Y319-V328 HydrophobicContact CD1-CG2 4.42Å; Y319-V328 HydrophobicContact CD2-CG1 4.12Å; Y319-V328 HydrophobicContact CD2-CG2 4.04Å; Y319-V328 HydrophobicContact CE1-CG2 4.28Å; Y319-V328 HydrophobicContact CE2-CB 4.29Å; Y319-V328 HydrophobicContact CE2-CG1 3.38Å; Y319-V328 HydrophobicContact CE2-CG2 3.88Å; Y319-V328 HydrophobicContact CG-CG2 4.31Å; Y319-V353 HydrophobicContact CD2-CG1 4.06Å; Y319-V353 HydrophobicContact CE2-CG1 4.16Å; Y319-G354 PolarHBondContact N-O 3.05Å; Y319-I355 HydrophobicContact CD2-CG1 4.48Å; Y319-N356 PolarHBondContact O-N 3.18Å; Y319-A374 WeakPolarHBondContact CA-O 3.38Å; Y319-V375 HydrophobicContact CD1-CB 3.69Å; Y319-V375 HydrophobicContact CD1-CG2 3.84Å; Y319-V375 HydrophobicContact CD2-CG2 4.39Å; Y319-V375 HydrophobicContact CE1-CB 3.73Å; Y319-V375 HydrophobicContact CE1-CG1 4.35Å; Y319-V375 HydrophobicContact CE1-CG2 3.66Å; Y319-V375 HydrophobicContact CE2-CG2 4.24Å; Y319-V375 HydrophobicContact CG-CB 4.37Å; Y319-V375 HydrophobicContact CG-CG2 4.2Å
320R91.4Very high91.5Very high4 Ų433.5 Ų33.52%0.01518%0.184CC..EExtended strand (participates in β ladder)trans-129.5139.3172.2-65.3-165.367.3178.70.8111.4E27 S236 N356 P360 R373 A374E27-R320 IonicContact OE1-CZ 2.78Å; E27-R320 IonicContact OE1-NH1 3.6Å; E27-R320 PolarHBondContact OE1-NH1 3.12Å; E27-R320 IonicContact OE1-NH2 2.73Å; E27-R320 IonicContact OE2-NH1 3.53Å; E27-R320 PolarHBondContact OE2-NH1 3.45Å; E27-R320 IonicContact OE2-NH2 3.44Å; S236-R320 PolarHBondContact OG-NH1 3.24Å; R320-N356 CarbonylContact C-O 3.57Å; R320-N356 VanDerWaalsContact CA-O 3.23Å; R320-N356 WeakPolarHBondContact CA-O 3.12Å; R320-N356 HydrophobicContact CG-CB 4.31Å; R320-P360 HydrophobicContact CB-CG 4.04Å; R320-R373 CarbonylContact O-C 3.59Å; R320-R373 WeakPolarHBondContact O-CA 3.46Å; R320-A374 PolarHBondContact N-O 3.26Å; R320-A374 PolarHBondContact O-N 3.26Å
321G91.1Very high91.8Very high0 Ų033.4 Ų33.40%018%0.182CC..EExtended strand (participates in β ladder)trans98.2-148.5173.600000114.7V323 N356 Q358 Q372G321-V323 VanDerWaalsContact C-N 3.34Å; G321-V323 PolarHBondContact O-N 2.93Å; G321-N356 PolarHBondContact N-O 3.42Å; G321-Q358 PolarHBondContact N-O 2.98Å; G321-Q358 VanDerWaalsContact N-O 3.09Å; G321-Q372 WeakPolarHBondContact CA-O 3.32Å
322D90.8Very high91.8Very high91 Ų9132.9 Ų32.949%0.48718%0.18SC..SBendtrans-73.785-178.4175.541.3000110.9Q372 R373D322-Q372 PolarHBondContact N-O 3.09Å; D322-R373 PolarHBondContact O-NE 3.39Å; D322-R373 PolarHBondContact O-NH2 3.21Å; D322-R373 IonicContact OD2-CZ 3.89Å; D322-R373 IonicContact OD2-NH2 3.26Å; D322-R373 PolarHBondContact OD2-NH2 3.12Å
323V91.8Very high91.8Very high3 Ų335.2 Ų35.22%0.01820%0.201CC..  trans-131.3120.5-175.7179.50000110.4V288 Y319 G321 V328 I355 R373V288-V323 HydrophobicContact CG1-CG1 4.39Å; V288-V323 HydrophobicContact CG2-CG1 4.08Å; Y319-V323 HydrophobicContact CD1-CG1 3.96Å; Y319-V323 HydrophobicContact CD1-CG2 4.28Å; Y319-V323 HydrophobicContact CG-CG1 3.97Å; G321-V323 VanDerWaalsContact C-N 3.34Å; G321-V323 PolarHBondContact O-N 2.93Å; V323-V328 HydrophobicContact CG1-CG2 3.34Å; V323-I355 HydrophobicContact CB-CG2 4.34Å; V323-R373 HydrophobicContact CG2-CB 3.81Å
324V91.7Very high91.9Very high67 Ų6738.5 Ų38.541%0.40622%0.221SC..  trans-90.5126.6178.3-177.40000109.6K326 D327 V328V324-K326 HydrophobicContact CG1-CB 4.12Å; V324-K326 PolarHBondContact O-N 2.57Å; V324-K326 VanDerWaalsContact O-N 3.11Å; V324-D327 HydrophobicContact CB-CB 4.5Å; V324-D327 PolarHBondContact O-N 2.84Å; V324-V328 PolarHBondContact O-N 3.11Å
325P91.1Very high92Very high58 Ų5838.1 Ų38.138%0.37722%0.218SC..Hα-helixtrans-56.3-32.4-178.1-2733.1000114.5D327 V328 N329 I355P325-D327 VanDerWaalsContact C-N 3.35Å; P325-D327 PolarHBondContact O-N 3.49Å; P325-V328 PolarHBondContact O-N 3.13Å; P325-N329 PolarHBondContact O-N 3.08Å; P325-N329 VanDerWaalsContact O-N 3.1Å; P325-N329 PolarHBondContact O-ND2 3.15Å; P325-I355 HydrophobicContact CB-CD1 4.08Å; P325-I355 HydrophobicContact CG-CD1 3.87Å
326K92.9Very high91.7Very high166 Ų16642.5 Ų42.572%0.72224%0.237SC*.Hα-helixtrans-61.5-42.4176.1-175.7-175.6175-172.60112.1V324 V328 N329 S330V324-K326 HydrophobicContact CG1-CB 4.12Å; V324-K326 PolarHBondContact O-N 2.57Å; V324-K326 VanDerWaalsContact O-N 3.11Å; K326-V328 VanDerWaalsContact C-N 3.35Å; K326-N329 PolarHBondContact O-N 3.17Å; K326-S330 PolarHBondContact O-N 3.12Å; K326-S330 VanDerWaalsContact O-N 3.08Å
327D93.8Very high91.6Very high74 Ų7447.7 Ų47.740%0.39627%0.269SS..Hα-helixtrans-70.9-36.3-178-63.1-16.7000110.6V288 V324 P325 S330 A331V288-D327 HydrophobicContact CB-CB 4.11Å; V288-D327 HydrophobicContact CG1-CB 4.39Å; V288-D327 HydrophobicContact CG2-CB 4.17Å; V324-D327 HydrophobicContact CB-CB 4.5Å; V324-D327 PolarHBondContact O-N 2.84Å; P325-D327 VanDerWaalsContact C-N 3.35Å; P325-D327 PolarHBondContact O-N 3.49Å; D327-S330 PolarHBondContact O-N 2.66Å; D327-A331 WeakPolarHBondContact O-CB 3.19Å; D327-A331 PolarHBondContact O-N 2.99Å
328V93Very high91.3Very high0 Ų051.4 Ų51.40%029%0.285CS..Hα-helixtrans-60-48.7173177.30000111.1V288 Y319 V323 V324 P325 K326 S330 A331 I332 V353 I355V288-V328 HydrophobicContact CG1-CG2 3.79Å; Y319-V328 HydrophobicContact CD1-CG2 4.42Å; Y319-V328 HydrophobicContact CD2-CG1 4.12Å; Y319-V328 HydrophobicContact CD2-CG2 4.04Å; Y319-V328 HydrophobicContact CE1-CG2 4.28Å; Y319-V328 HydrophobicContact CE2-CB 4.29Å; Y319-V328 HydrophobicContact CE2-CG1 3.38Å; Y319-V328 HydrophobicContact CE2-CG2 3.88Å; Y319-V328 HydrophobicContact CG-CG2 4.31Å; V323-V328 HydrophobicContact CG1-CG2 3.34Å; V324-V328 PolarHBondContact O-N 3.11Å; P325-V328 PolarHBondContact O-N 3.13Å; K326-V328 VanDerWaalsContact C-N 3.35Å; V328-S330 VanDerWaalsContact C-N 3.3Å; V328-S330 PolarHBondContact O-N 3.44Å; V328-A331 PolarHBondContact O-N 3.34Å; V328-I332 HydrophobicContact CG1-CD1 3.69Å; V328-I332 HydrophobicContact CG1-CG1 4.35Å; V328-I332 WeakPolarHBondContact O-CG1 3.27Å; V328-I332 PolarHBondContact O-N 3.13Å; V328-V353 HydrophobicContact CG1-CG1 3.65Å; V328-V353 HydrophobicContact CG1-CG2 4.12Å; V328-I355 HydrophobicContact CG2-CD1 4.27Å
329N91.8Very high90.8Very high105 Ų10562.1 Ų62.156%0.56133%0.325SS*.Hα-helixtrans-61.6-39.1178.1-73.2-30.2000112.1P325 K326 A333P325-N329 PolarHBondContact O-N 3.08Å; P325-N329 VanDerWaalsContact O-N 3.1Å; P325-N329 PolarHBondContact O-ND2 3.15Å; K326-N329 PolarHBondContact O-N 3.17Å; N329-A333 WeakPolarHBondContact O-CB 3.1Å; N329-A333 PolarHBondContact O-N 2.83Å
330S94.1Very high90.3Very high74 Ų7465.3 Ų65.352%0.51735%0.347SS..Hα-helixtrans-66.9-38.7175.4-168.10000112.4K326 D327 V328 T334K326-S330 PolarHBondContact O-N 3.12Å; K326-S330 VanDerWaalsContact O-N 3.08Å; D327-S330 PolarHBondContact O-N 2.66Å; V328-S330 VanDerWaalsContact C-N 3.3Å; V328-S330 PolarHBondContact O-N 3.44Å; S330-T334 PolarHBondContact O-N 3.33Å; S330-T334 VanDerWaalsContact O-N 3.17Å; S330-T334 PolarHBondContact O-OG1 3.31Å
331A93.9Very high90Very high4 Ų466.1 Ų66.13%0.03335%0.351CS..Hα-helixtrans-65.9-46.9176.100000110.8A289 T292 D327 V328 A333 T334 I335A289-A331 HydrophobicContact CB-CB 4.31Å; T292-A331 HydrophobicContact CG2-CB 4.15Å; D327-A331 WeakPolarHBondContact O-CB 3.19Å; D327-A331 PolarHBondContact O-N 2.99Å; V328-A331 PolarHBondContact O-N 3.34Å; A331-A333 PolarHBondContact O-N 2.78Å; A331-T334 WeakPolarHBondContact O-CB 3.22Å; A331-T334 PolarHBondContact O-N 2.58Å; A331-T334 VanDerWaalsContact O-N 3.1Å; A331-I335 WeakPolarHBondContact O-CG1 3.3Å; A331-I335 PolarHBondContact O-N 3.38Å
332I92Very high89.8Confident12 Ų1271.2 Ų71.26%0.06238%0.375CS..Hα-helixtrans-62.1-42.8177.2-67.1168.6000111.3L317 V328 T334 I335 K336 F351 V353L317-I332 HydrophobicContact CD1-CD1 3.89Å; L317-I332 HydrophobicContact CD1-CG1 3.79Å; V328-I332 HydrophobicContact CG1-CD1 3.69Å; V328-I332 HydrophobicContact CG1-CG1 4.35Å; V328-I332 WeakPolarHBondContact O-CG1 3.27Å; V328-I332 PolarHBondContact O-N 3.13Å; I332-T334 PolarHBondContact O-N 2.87Å; I332-I335 WeakPolarHBondContact O-CB 3.4Å; I332-I335 PolarHBondContact O-N 2.92Å; I332-I335 VanDerWaalsContact O-N 3.15Å; I332-K336 HydrophobicContact CG2-CD 4.31Å; I332-K336 HydrophobicContact CG2-CG 4.36Å; I332-K336 WeakPolarHBondContact O-CG 3.33Å; I332-K336 PolarHBondContact O-N 3.46Å; I332-F351 HydrophobicContact CD1-CB 4.35Å; I332-F351 HydrophobicContact CG1-CD1 4.41Å; I332-F351 HydrophobicContact CG2-CB 4.05Å; I332-F351 HydrophobicContact CG2-CD1 4.2Å; I332-F351 HydrophobicContact CG2-CD2 3.88Å; I332-F351 HydrophobicContact CG2-CE2 4.35Å; I332-F351 HydrophobicContact CG2-CG 3.77Å; I332-V353 HydrophobicContact CD1-CG2 3.4Å; I332-V353 VanDerWaalsContact CD1-CG2 3.4Å
333A90.9Very high89.6Confident56 Ų5668.5 Ų68.546%0.46336%0.359SS..Hα-helixtrans-58.1-37.2175.600000111.7N329 A331N329-A333 WeakPolarHBondContact O-CB 3.1Å; N329-A333 PolarHBondContact O-N 2.83Å; A331-A333 PolarHBondContact O-N 2.78Å
334T91.6Very high89.4Confident72 Ų7268.5 Ų68.544%0.44236%0.359SS..Hα-helixtrans-71.5-38.6176.3-52.60000112.4S330 A331 I332 T337S330-T334 PolarHBondContact O-N 3.33Å; S330-T334 VanDerWaalsContact O-N 3.17Å; S330-T334 PolarHBondContact O-OG1 3.31Å; A331-T334 WeakPolarHBondContact O-CB 3.22Å; A331-T334 PolarHBondContact O-N 2.58Å; A331-T334 VanDerWaalsContact O-N 3.1Å; I332-T334 PolarHBondContact O-N 2.87Å; T334-T337 PolarHBondContact O-N 2.69Å; T334-T337 PolarHBondContact O-OG1 2.69Å
335I90.4Very high88.9Confident0 Ų068.3 Ų68.30%036%0.356CS..Hα-helixtrans-62.8-43.3174.7-72.7-58.1000110.9T292 N293 F296 A331 I332 T337 K338 I341 F351T292-I335 HydrophobicContact CG2-CG1 4.02Å; N293-I335 WeakPolarHBondContact OD1-CD1 3.23Å; F296-I335 HydrophobicContact CD2-CD1 3.72Å; F296-I335 HydrophobicContact CD2-CG1 4.16Å; F296-I335 HydrophobicContact CD2-CG2 4Å; F296-I335 HydrophobicContact CE1-CG2 4.34Å; F296-I335 HydrophobicContact CE2-CB 4.46Å; F296-I335 HydrophobicContact CE2-CD1 4.16Å; F296-I335 HydrophobicContact CE2-CG1 4.08Å; F296-I335 HydrophobicContact CE2-CG2 3.54Å; F296-I335 HydrophobicContact CG-CD1 4.49Å; F296-I335 HydrophobicContact CZ-CG2 3.74Å; A331-I335 WeakPolarHBondContact O-CG1 3.3Å; A331-I335 PolarHBondContact O-N 3.38Å; I332-I335 WeakPolarHBondContact O-CB 3.4Å; I332-I335 PolarHBondContact O-N 2.92Å; I332-I335 VanDerWaalsContact O-N 3.15Å; I335-T337 PolarHBondContact O-N 3.33Å; I335-K338 HydrophobicContact CD1-CD 4.32Å; I335-K338 WeakPolarHBondContact O-CB 3.44Å; I335-K338 PolarHBondContact O-N 3.38Å; I335-I341 HydrophobicContact CD1-CD1 4.5Å; I335-I341 HydrophobicContact CG2-CD1 3.46Å; I335-I341 VanDerWaalsContact CG2-CD1 3.46Å; I335-F351 HydrophobicContact CG2-CE1 4.41Å; I335-F351 HydrophobicContact CG2-CZ 3.77Å
336K85.9Confident88.5Confident92 Ų9270.4 Ų70.440%0.436%0.357SS..Hα-helixtrans-62.2-22.5179.4-74.1-175.5178.5-161.90114I332 K338 T349 F351I332-K336 HydrophobicContact CG2-CD 4.31Å; I332-K336 HydrophobicContact CG2-CG 4.36Å; I332-K336 WeakPolarHBondContact O-CG 3.33Å; I332-K336 PolarHBondContact O-N 3.46Å; K336-K338 VanDerWaalsContact C-N 3.35Å; K336-T349 HydrophobicContact CD-CG2 4.36Å; K336-T349 VanDerWaalsContact NZ-CB 3.33Å; K336-T349 PolarHBondContact NZ-O 2.84Å; K336-T349 PolarHBondContact NZ-OG1 3.08Å; K336-F351 VanDerWaalsContact CE-CD2 3.49Å; K336-F351 HydrophobicContact CG-CD2 4.37Å; K336-F351 HydrophobicContact CG-CE2 4Å
337T87.4Confident87.7Confident112 Ų11263.6 Ų63.669%0.68733%0.329SS*.THydrogen-bonded Turntrans-83.6-11176.562.70000113.2T334 I335 R339T334-T337 PolarHBondContact O-N 2.69Å; T334-T337 PolarHBondContact O-OG1 2.69Å; I335-T337 PolarHBondContact O-N 3.33Å; T337-R339 PolarHBondContact O-N 3.33Å
338K86.8Confident85.8Confident78 Ų7865.4 Ų65.434%0.33935%0.345SS..  trans-76.1121178.9-64.9-173.9-176.91780110.7N293 I335 K336 S340 I341N293-K338 PolarHBondContact OD1-NZ 3.39Å; I335-K338 HydrophobicContact CD1-CD 4.32Å; I335-K338 WeakPolarHBondContact O-CB 3.44Å; I335-K338 PolarHBondContact O-N 3.38Å; K336-K338 VanDerWaalsContact C-N 3.35Å; K338-S340 PolarHBondContact O-N 3.12Å; K338-S340 VanDerWaalsContact O-N 3.14Å; K338-I341 HydrophobicContact CB-CD1 4.33Å; K338-I341 HydrophobicContact CD-CD1 4.47Å; K338-I341 PolarHBondContact O-N 3.25Å
339R81.3Confident84.4Confident235 Ų23568.4 Ų68.489%0.88736%0.364SS*.THydrogen-bonded Turntrans-62.3-19.9178.1-65.1-174.2178.8-169.1-1.6114.8T337 I341T337-R339 PolarHBondContact O-N 3.33Å; R339-I341 PolarHBondContact O-N 3.27Å
340S82.5Confident83.1Confident68 Ų6864.8 Ų64.848%0.47635%0.351SS..THydrogen-bonded Turntrans-76.1-7.7179.559.70000113.6K338K338-S340 PolarHBondContact O-N 3.12Å; K338-S340 VanDerWaalsContact O-N 3.14Å
341I85.4Confident82.7Confident21 Ų2162.5 Ų62.511%0.10833%0.332CS..  trans-113.2101.1-178.4-58.2174.4000106.8F296 Y312 I335 K338 R339 F343F296-I341 HydrophobicContact CB-CD1 4.18Å; F296-I341 HydrophobicContact CD1-CD1 3.49Å; F296-I341 VanDerWaalsContact CD1-CD1 3.49Å; F296-I341 HydrophobicContact CD1-CG1 4.04Å; F296-I341 HydrophobicContact CD2-CD1 4.25Å; F296-I341 HydrophobicContact CE1-CD1 3.9Å; F296-I341 HydrophobicContact CE1-CG2 4.22Å; F296-I341 HydrophobicContact CG-CD1 3.69Å; F296-I341 HydrophobicContact CZ-CD1 4.45Å; Y312-I341 HydrophobicContact CD2-CG2 3.96Å; Y312-I341 HydrophobicContact CE2-CG2 4.03Å; I335-I341 HydrophobicContact CD1-CD1 4.5Å; I335-I341 HydrophobicContact CG2-CD1 3.46Å; I335-I341 VanDerWaalsContact CG2-CD1 3.46Å; K338-I341 HydrophobicContact CB-CD1 4.33Å; K338-I341 HydrophobicContact CD-CD1 4.47Å; K338-I341 PolarHBondContact O-N 3.25Å; R339-I341 PolarHBondContact O-N 3.27Å; I341-F343 HydrophobicContact CG2-CD2 4.23Å; I341-F343 HydrophobicContact CG2-CE2 3.68Å
342Q86.2Confident82.3Confident107 Ų10766.8 Ų66.850%0.535%0.349SS..  trans-106125.5-178.6-62.3-175.30.900109.1K311 Y312K311-Q342 WeakPolarHBondContact CA-O 3.37Å; K311-Q342 HydrophobicContact CG-CB 4.5Å; Y312-Q342 WeakPolarHBondContact CD2-O 3.46Å; Y312-Q342 PolarHBondContact N-O 2.63Å
343F87.7Confident82.1Confident34 Ų3467.4 Ų67.415%0.14935%0.354CS..BIsolated β-bridgetrans-96.1155.9169.8-76.6-98.8000109.1Y312 C315 I341 T349 F351Y312-F343 VanDerWaalsContact O-CA 3.26Å; Y312-F343 WeakPolarHBondContact O-CA 3.46Å; Y312-F343 WeakPolarHBondContact O-CD1 3.38Å; C315-F343 HydrophobicContact CB-CE1 4.25Å; C315-F343 HydrophobicContact CB-CZ 4.18Å; I341-F343 HydrophobicContact CG2-CD2 4.23Å; I341-F343 HydrophobicContact CG2-CE2 3.68Å; F343-T349 HydrophobicContact CD2-CG2 4.23Å; F343-T349 HydrophobicContact CG-CG2 4.49Å; F343-F351 AromaticContact CE2-CE2 3.67Å; F343-F351 HydrophobicContact CE2-CE2 3.67Å; F343-F351 HydrophobicContact CE2-CZ 4.11Å; F343-F351 HydrophobicContact CZ-CD2 4.11Å; F343-F351 AromaticContact CZ-CE2 3.44Å; F343-F351 HydrophobicContact CZ-CE2 3.44Å; F343-F351 VanDerWaalsContact CZ-CE2 3.44Å; F343-F351 AromaticContact CZ-CZ 3.78Å; F343-F351 HydrophobicContact CZ-CZ 3.78Å
344V86.1Confident82Confident3 Ų365 Ų652%0.01834%0.335CS..  trans-60.7147.2166.3-62.60000110.3K311 Y312 M313 W346 C347 V435K311-V344 HydrophobicContact CB-CG1 3.81Å; K311-V344 HydrophobicContact CD-CG1 4.35Å; Y312-V344 PolarHBondContact O-N 2.82Å; M313-V344 HydrophobicContact CG-CG1 4.09Å; M313-V344 HydrophobicContact CG-CG2 4.43Å; V344-W346 HydrophobicContact CB-CD2 4.34Å; V344-W346 HydrophobicContact CB-CZ2 4.16Å; V344-W346 HydrophobicContact CG1-CZ2 4.33Å; V344-W346 HydrophobicContact CG2-CD2 3.67Å; V344-W346 HydrophobicContact CG2-CE3 4.02Å; V344-W346 HydrophobicContact CG2-CG 4.26Å; V344-W346 HydrophobicContact CG2-CH2 3.87Å; V344-W346 HydrophobicContact CG2-CZ2 3.53Å; V344-W346 HydrophobicContact CG2-CZ3 4.11Å; V344-W346 PolarHBondContact O-N 3.29Å; V344-C347 HydrophobicContact CG2-CB 3.45Å; V344-C347 VanDerWaalsContact CG2-CB 3.45Å; V344-C347 CarbonylContact O-C 2.99Å; V344-C347 PolarHBondContact O-N 3.45Å; V344-C347 VanDerWaalsContact O-N 3.09Å; V344-V435 HydrophobicContact CG1-CG1 4.27Å
345D82.4Confident81.9Confident64 Ų6462.2 Ų62.234%0.34232%0.317SS..THydrogen-bonded Turntrans-62.5-38.3-174.954.4-1.6000113.6C347 S439D345-C347 PolarHBondContact O-N 2.97Å; D345-S439 VanDerWaalsContact CG-OG 3.29Å; D345-S439 PolarHBondContact OD1-OG 3.14Å; D345-S439 WeakPolarHBondContact OD2-CB 3.41Å; D345-S439 PolarHBondContact OD2-N 2.95Å; D345-S439 PolarHBondContact OD2-OG 3.36Å
346W81.8Confident81.8Confident102 Ų10262.7 Ų62.739%0.38632%0.32SS..THydrogen-bonded Turntrans-74.6-6.617655.5-99.3000113.7P261 Y262 M313 V344 P348 V435P261-W346 HydrophobicContact CB-CH2 3.53Å; P261-W346 HydrophobicContact CB-CZ3 3.91Å; P261-W346 HydrophobicContact CG-CH2 3.85Å; Y262-W346 HydrophobicContact CE2-CH2 4.16Å; Y262-W346 AromaticContact CE2-CZ2 3.82Å; Y262-W346 HydrophobicContact CE2-CZ2 3.82Å; M313-W346 HydrophobicContact CB-CH2 4.08Å; M313-W346 HydrophobicContact CG-CH2 4.05Å; M313-W346 HydrophobicContact CG-CZ2 4.05Å; V344-W346 HydrophobicContact CB-CD2 4.34Å; V344-W346 HydrophobicContact CB-CZ2 4.16Å; V344-W346 HydrophobicContact CG1-CZ2 4.33Å; V344-W346 HydrophobicContact CG2-CD2 3.67Å; V344-W346 HydrophobicContact CG2-CE3 4.02Å; V344-W346 HydrophobicContact CG2-CG 4.26Å; V344-W346 HydrophobicContact CG2-CH2 3.87Å; V344-W346 HydrophobicContact CG2-CZ2 3.53Å; V344-W346 HydrophobicContact CG2-CZ3 4.11Å; V344-W346 PolarHBondContact O-N 3.29Å; W346-P348 VanDerWaalsContact C-CD 3.41Å; W346-P348 VanDerWaalsContact O-CD 3.23Å; W346-P348 WeakPolarHBondContact O-CD 3.42Å; W346-V435 HydrophobicContact CZ2-CG1 4.07Å
347C76.6Confident81.9Confident22 Ų2264.4 Ų64.415%0.14932%0.324CS..SBendtrans-115.377.2171.6-168.80000111M313 V344 D345 T349M313-C347 PolarHBondContact O-SG 2.86Å; V344-C347 HydrophobicContact CG2-CB 3.45Å; V344-C347 VanDerWaalsContact CG2-CB 3.45Å; V344-C347 CarbonylContact O-C 2.99Å; V344-C347 PolarHBondContact O-N 3.45Å; V344-C347 VanDerWaalsContact O-N 3.09Å; D345-C347 PolarHBondContact O-N 2.97Å; C347-T349 PolarHBondContact O-N 3.37Å
348P54.8Low81.8Confident112 Ų11263 Ų6373%0.72731%0.31SS*.SBendtrans-66.2-0.4-168.322.1-32.3000116.3W346W346-P348 VanDerWaalsContact C-CD 3.41Å; W346-P348 VanDerWaalsContact O-CD 3.23Å; W346-P348 WeakPolarHBondContact O-CD 3.42Å
349T62.1Low81.9Confident64 Ų6462.6 Ų62.639%0.39332%0.315SS..  trans149.385148.847.10000111.9K336 F343 C347 F351K336-T349 HydrophobicContact CD-CG2 4.36Å; K336-T349 VanDerWaalsContact NZ-CB 3.33Å; K336-T349 PolarHBondContact NZ-O 2.84Å; K336-T349 PolarHBondContact NZ-OG1 3.08Å; F343-T349 HydrophobicContact CD2-CG2 4.23Å; F343-T349 HydrophobicContact CG-CG2 4.49Å; C347-T349 PolarHBondContact O-N 3.37Å; T349-F351 PolarHBondContact O-N 3.46Å
350G66.3Low82.3Confident28 Ų2851.9 Ų51.929%0.28928%0.276SS..  trans-93.259.9-174.700000115.7C315 K352C315-G350 VanDerWaalsContact O-O 3.13Å; G350-K352 PolarHBondContact O-N 3.42Å
351F83.9Confident82.7Confident26 Ų2650.7 Ų50.711%0.11427%0.266CS..EExtended strand (participates in β ladder)trans-69.3117.4168.2-81.7-91.3000110.3F296 C315 L317 I332 I335 K336 F343 T349F296-F351 HydrophobicContact CE2-CE1 4.29Å; F296-F351 AromaticContact CZ-CE1 3.66Å; F296-F351 HydrophobicContact CZ-CE1 3.66Å; F296-F351 AromaticContact CZ-CZ 3.77Å; F296-F351 HydrophobicContact CZ-CZ 3.77Å; C315-F351 HydrophobicContact CB-CD1 4.07Å; C315-F351 HydrophobicContact CB-CE1 4.02Å; C315-F351 HydrophobicContact CB-CZ 4.48Å; C315-F351 CarbonylContact O-C 3.58Å; C315-F351 WeakPolarHBondContact O-CA 3.48Å; C315-F351 WeakPolarHBondContact SG-CE1 3.03Å; L317-F351 HydrophobicContact CD1-CD1 3.68Å; L317-F351 HydrophobicContact CD1-CE1 3.95Å; L317-F351 HydrophobicContact CG-CD1 4.31Å; I332-F351 HydrophobicContact CD1-CB 4.35Å; I332-F351 HydrophobicContact CG1-CD1 4.41Å; I332-F351 HydrophobicContact CG2-CB 4.05Å; I332-F351 HydrophobicContact CG2-CD1 4.2Å; I332-F351 HydrophobicContact CG2-CD2 3.88Å; I332-F351 HydrophobicContact CG2-CE2 4.35Å; I332-F351 HydrophobicContact CG2-CG 3.77Å; I335-F351 HydrophobicContact CG2-CE1 4.41Å; I335-F351 HydrophobicContact CG2-CZ 3.77Å; K336-F351 VanDerWaalsContact CE-CD2 3.49Å; K336-F351 HydrophobicContact CG-CD2 4.37Å; K336-F351 HydrophobicContact CG-CE2 4Å; F343-F351 AromaticContact CE2-CE2 3.67Å; F343-F351 HydrophobicContact CE2-CE2 3.67Å; F343-F351 HydrophobicContact CE2-CZ 4.11Å; F343-F351 HydrophobicContact CZ-CD2 4.11Å; F343-F351 AromaticContact CZ-CE2 3.44Å; F343-F351 HydrophobicContact CZ-CE2 3.44Å; F343-F351 VanDerWaalsContact CZ-CE2 3.44Å; F343-F351 AromaticContact CZ-CZ 3.78Å; F343-F351 HydrophobicContact CZ-CZ 3.78Å; T349-F351 PolarHBondContact O-N 3.46Å
352K86.7Confident82.9Confident94 Ų9450.8 Ų50.841%0.40927%0.268SS..EExtended strand (participates in β ladder)trans-97.1143169.4-60.3-66.4-179.5162.30109.2N258 C315 C316 L317 G350N258-K352 HydrophobicContact CB-CG 4.19Å; N258-K352 WeakPolarHBondContact OD1-CE 3.24Å; C315-K352 PolarHBondContact O-N 2.89Å; C316-K352 CarbonylContact C-O 3.42Å; C316-K352 WeakPolarHBondContact CA-O 3.35Å; C316-K352 HydrophobicContact CB-CB 4.14Å; L317-K352 PolarHBondContact N-O 3.26Å; G350-K352 PolarHBondContact O-N 3.42Å
353V88.2Confident83Confident26 Ų2646.2 Ų46.216%0.15825%0.247CC..EExtended strand (participates in β ladder)trans-131.7108.5-171.7178.30000109.8L248 L317 Y319 V328 I332 I355L248-V353 WeakPolarHBondContact CB-O 3.48Å; L248-V353 WeakPolarHBondContact CD2-O 3.28Å; L317-V353 CarbonylContact O-C 3.36Å; L317-V353 WeakPolarHBondContact O-CA 3.43Å; Y319-V353 HydrophobicContact CD2-CG1 4.06Å; Y319-V353 HydrophobicContact CE2-CG1 4.16Å; V328-V353 HydrophobicContact CG1-CG1 3.65Å; V328-V353 HydrophobicContact CG1-CG2 4.12Å; I332-V353 HydrophobicContact CD1-CG2 3.4Å; I332-V353 VanDerWaalsContact CD1-CG2 3.4Å; V353-I355 HydrophobicContact CG1-CD1 4.16Å; V353-I355 HydrophobicContact CG1-CG1 3.91Å
354G87.8Confident83Confident6 Ų649.3 Ų49.36%0.06227%0.271CS..EExtended strand (participates in β ladder)trans-91.8137.4167.200000110.3L317 Y319L317-G354 PolarHBondContact O-N 3.09Å; Y319-G354 PolarHBondContact N-O 3.05Å
355I89.8Confident82.8Confident12 Ų1252.6 Ų52.66%0.06231%0.305CS..EExtended strand (participates in β ladder)trans-131.6118.3173.2-54.7176000109.3A247 Y319 V323 P325 V328 V353 Y357A247-I355 PolarHBondContact N-O 2.76Å; A247-I355 VanDerWaalsContact N-O 3.12Å; Y319-I355 HydrophobicContact CD2-CG1 4.48Å; V323-I355 HydrophobicContact CB-CG2 4.34Å; P325-I355 HydrophobicContact CB-CD1 4.08Å; P325-I355 HydrophobicContact CG-CD1 3.87Å; V328-I355 HydrophobicContact CG2-CD1 4.27Å; V353-I355 HydrophobicContact CG1-CD1 4.16Å; V353-I355 HydrophobicContact CG1-CG1 3.91Å; I355-Y357 HydrophobicContact CG2-CD1 4.24Å; I355-Y357 HydrophobicContact CG2-CE1 3.91Å
356N88.9Confident82.8Confident11 Ų1150.5 Ų50.56%0.05930%0.298CS..EExtended strand (participates in β ladder)trans-110.9124.8169-178.7-23.5000109F244 Y319 R320 G321 Q358F244-N356 WeakPolarHBondContact CB-ND2 3.27Å; F244-N356 WeakPolarHBondContact CD2-ND2 3.11Å; Y319-N356 PolarHBondContact O-N 3.18Å; R320-N356 CarbonylContact C-O 3.57Å; R320-N356 VanDerWaalsContact CA-O 3.23Å; R320-N356 WeakPolarHBondContact CA-O 3.12Å; R320-N356 HydrophobicContact CG-CB 4.31Å; G321-N356 PolarHBondContact N-O 3.42Å; N356-Q358 VanDerWaalsContact C-N 3.26Å; N356-Q358 PolarHBondContact O-N 2.97Å; N356-Q358 WeakPolarHBondContact OD1-CB 3.28Å; N356-Q358 PolarHBondContact OD1-N 3.24Å
357Y86.8Confident83Confident128 Ų12847.8 Ų47.850%0.50229%0.291SS..  trans-78.3-9.4-175.7-62.3-68.3000114A247 I355A247-Y357 HydrophobicContact CB-CE2 3.87Å; I355-Y357 HydrophobicContact CG2-CD1 4.24Å; I355-Y357 HydrophobicContact CG2-CE1 3.91Å
358Q86.6Confident83.5Confident81 Ų8147.9 Ų47.938%0.37929%0.29SS..SBendtrans-73128.8174.8-65-164-0.400110.8F244 G321 N356F244-Q358 VanDerWaalsContact CD1-CD 3.43Å; F244-Q358 VanDerWaalsContact CD1-NE2 3.33Å; F244-Q358 VanDerWaalsContact CZ-OE1 3.28Å; G321-Q358 PolarHBondContact N-O 2.98Å; G321-Q358 VanDerWaalsContact N-O 3.09Å; N356-Q358 VanDerWaalsContact C-N 3.26Å; N356-Q358 PolarHBondContact O-N 2.97Å; N356-Q358 WeakPolarHBondContact OD1-CB 3.28Å; N356-Q358 PolarHBondContact OD1-N 3.24Å
359P88.3Confident85Confident70 Ų7042.9 Ų42.946%0.45526%0.259SS..PPolyproline II helixtrans-64.6148.2177.927.6-33.9000111T361P359-T361 PolarHBondContact O-N 2.97Å
360P89.7Confident86.2Confident10 Ų1048.2 Ų48.27%0.06528%0.276CS..PPolyproline II helixtrans-56.2130.5172.7-23.133000111.3R320 V371 A374R320-P360 HydrophobicContact CB-CG 4.04Å; P360-V371 HydrophobicContact CB-CG2 4.41Å; P360-V371 HydrophobicContact CG-CG2 4.16Å; P360-A374 HydrophobicContact CG-CB 3.57Å
361T91.6Very high87.3Confident43 Ų4348.2 Ų48.226%0.26427%0.271SS..PPolyproline II helixtrans-89.6141.7174.5-62.50000109.3L23 L26 E27 Q233 P359L23-T361 HydrophobicContact CD1-CG2 4.34Å; L23-T361 WeakPolarHBondContact CD1-O 3.41Å; L26-T361 HydrophobicContact CB-CG2 3.98Å; E27-T361 HydrophobicContact CG-CG2 4.28Å; Q233-T361 PolarHBondContact NE2-O 3.49Å; Q233-T361 PolarHBondContact OE1-O 3.3Å; P359-T361 PolarHBondContact O-N 2.97Å
362V88.6Confident87.6Confident23 Ų2353 Ų5314%0.13929%0.293CS..  trans-113.2144.4173.9-58.20000110L368 K370V362-L368 HydrophobicContact CG1-CB 4.24Å; V362-K370 HydrophobicContact CG2-CD 4.28Å; V362-K370 HydrophobicContact CG2-CG 3.42Å; V362-K370 VanDerWaalsContact CG2-CG 3.42Å
363V88.6Confident87.8Confident12 Ų1251 Ų517%0.07328%0.283CS..  trans-67.6130.8176.6-178.30000109.2E22 L23 L26 G365 G366E22-V363 HydrophobicContact CG-CG1 4.25Å; E22-V363 HydrophobicContact CG-CG2 4.43Å; E22-V363 WeakPolarHBondContact OE1-CG1 3.41Å; L23-V363 HydrophobicContact CD1-CG2 4.35Å; L26-V363 HydrophobicContact CD1-CB 4.26Å; L26-V363 HydrophobicContact CD1-CG1 4.23Å; L26-V363 HydrophobicContact CD1-CG2 4.08Å; V363-G365 PolarHBondContact O-N 2.67Å; V363-G366 WeakPolarHBondContact O-CA 3.19Å; V363-G366 PolarHBondContact O-N 3.18Å
364P86.6Confident88.1Confident99 Ų9949.8 Ų49.864%0.64328%0.276SS*.THydrogen-bonded Turntrans-56129.4172.1-25.334.6000111.6G366P364-G366 PolarHBondContact O-N 3.06Å
365G82.1Confident88.5Confident71 Ų7149.5 Ų49.573%0.73227%0.273SS*.THydrogen-bonded Turntrans71.915.9-172.900000113.9R229 V363R229-G365 PolarHBondContact NH1-O 3.29Å; V363-G365 PolarHBondContact O-N 2.67Å
366G83.2Confident88.7Confident20 Ų2049 Ų4921%0.20627%0.27CS..  trans-80.3163.3166.400000112.5V363 P364 L368V363-G366 WeakPolarHBondContact O-CA 3.19Å; V363-G366 PolarHBondContact O-N 3.18Å; P364-G366 PolarHBondContact O-N 3.06Å; G366-L368 VanDerWaalsContact C-N 3.35Å
367D85.6Confident88.9Confident45 Ų4548.4 Ų48.424%0.24127%0.268CS..SBendtrans-84.1-14.2-175-47.4-69.2000112.9L217 I219 N226 A278L217-D367 HydrophobicContact CD1-CB 4.06Å; I219-D367 HydrophobicContact CD1-CB 3.98Å; N226-D367 PolarHBondContact ND2-OD1 2.92Å; N226-D367 PolarHBondContact ND2-OD2 2.88Å; A278-D367 PolarHBondContact N-O 3.31Å
368L86.7Confident89.2Confident24 Ų2442.3 Ų42.313%0.12624%0.244CC..BIsolated β-bridgetrans-87.5135.7-175.8-73.5166.3000112.5L217 L230 Q233 V275 V362 G366L217-L368 HydrophobicContact CD2-CD2 3.73Å; L217-L368 HydrophobicContact CD2-CG 4.44Å; L230-L368 HydrophobicContact CD1-CD1 4.42Å; Q233-L368 HydrophobicContact CB-CD1 4.49Å; Q233-L368 HydrophobicContact CG-CD1 3.61Å; V275-L368 HydrophobicContact CG1-CD2 3.94Å; V362-L368 HydrophobicContact CG1-CB 4.24Å; G366-L368 VanDerWaalsContact C-N 3.35Å
369A87.6Confident89.5Confident8 Ų838.5 Ų38.57%0.06623%0.226CC..PPolyproline II helixtrans-65.7147.2170.600000112.4I276 A281 V371I276-A369 HydrophobicContact CB-CB 4.2Å; I276-A369 HydrophobicContact CG2-CB 4.27Å; I276-A369 PolarHBondContact O-N 3.13Å; A281-A369 HydrophobicContact CB-CB 3.49Å; A281-A369 VanDerWaalsContact CB-CB 3.49Å; A369-V371 PolarHBondContact O-N 3.31Å
370K87.8Confident89.7Confident175 Ų17535.1 Ų35.176%0.76120%0.204SC*.PPolyproline II helixtrans-68120164.8-72.5-175.3179.6-175.70109.1V362V362-K370 HydrophobicContact CG2-CD 4.28Å; V362-K370 HydrophobicContact CG2-CG 3.42Å; V362-K370 VanDerWaalsContact CG2-CG 3.42Å
371V89.2Confident89.8Confident28 Ų2834.7 Ų34.717%0.1720%0.201CC..  trans-115.9146.5178.6-63.90000110.4P274 I276 P360 A369 R373 A374P274-V371 HydrophobicContact CG-CB 4.48Å; P274-V371 HydrophobicContact CG-CG1 4.1Å; I276-V371 HydrophobicContact CD1-CG1 4.4Å; P360-V371 HydrophobicContact CB-CG2 4.41Å; P360-V371 HydrophobicContact CG-CG2 4.16Å; A369-V371 PolarHBondContact O-N 3.31Å; V371-R373 VanDerWaalsContact C-N 3.28Å; V371-A374 HydrophobicContact CG2-CB 4.37Å
372Q88.8Confident89.9Confident127 Ų12733.3 Ų33.359%0.59319%0.193SC*.SBendtrans-74-24.6178-66.9-63.7-25.600112.4G321 D322G321-Q372 WeakPolarHBondContact CA-O 3.32Å; D322-Q372 PolarHBondContact N-O 3.09Å
373R92Very high90.1Very high52 Ų5232.4 Ų32.420%0.19619%0.188CC..EExtended strand (participates in β ladder)trans-150.1144.9-17758.3-172.372.5163.60.2111.2P274 L286 I291 R320 D322 V323 V371P274-R373 WeakPolarHBondContact CD-O 3.12Å; L286-R373 WeakPolarHBondContact O-CD 3.5Å; I291-R373 HydrophobicContact CD1-CB 4.3Å; I291-R373 HydrophobicContact CD1-CG 4.02Å; R320-R373 CarbonylContact O-C 3.59Å; R320-R373 WeakPolarHBondContact O-CA 3.46Å; D322-R373 PolarHBondContact O-NE 3.39Å; D322-R373 PolarHBondContact O-NH2 3.21Å; D322-R373 IonicContact OD2-CZ 3.89Å; D322-R373 IonicContact OD2-NH2 3.26Å; D322-R373 PolarHBondContact OD2-NH2 3.12Å; V323-R373 HydrophobicContact CG2-CB 3.81Å; V371-R373 VanDerWaalsContact C-N 3.28Å
374A94.1Very high90.3Very high1 Ų131.9 Ų31.91%0.00818%0.184CC..EExtended strand (participates in β ladder)trans-143.8165.3171.300000110.2Y272 A273 Y319 R320 P360 V371Y272-A374 HydrophobicContact CE2-CB 4.05Å; Y272-A374 WeakPolarHBondContact OH-CB 3.36Å; A273-A374 CarbonylContact O-C 3.58Å; A273-A374 WeakPolarHBondContact O-CA 3.15Å; Y319-A374 WeakPolarHBondContact CA-O 3.38Å; R320-A374 PolarHBondContact N-O 3.26Å; R320-A374 PolarHBondContact O-N 3.26Å; P360-A374 HydrophobicContact CG-CB 3.57Å; V371-A374 HydrophobicContact CG2-CB 4.37Å
375V95.2Very high90.6Very high0 Ų028.1 Ų28.10%016%0.162CC..EExtended strand (participates in β ladder)trans-140.3132.317756.10000109.5A273 I291 C295 L317 L318 Y319A273-V375 HydrophobicContact CB-CG1 4.25Å; A273-V375 PolarHBondContact N-O 2.85Å; A273-V375 PolarHBondContact O-N 3.19Å; A273-V375 VanDerWaalsContact O-O 3.13Å; I291-V375 HydrophobicContact CB-CG1 3.85Å; I291-V375 HydrophobicContact CD1-CB 4.25Å; I291-V375 HydrophobicContact CD1-CG1 3.92Å; I291-V375 HydrophobicContact CG1-CG1 3.76Å; C295-V375 WeakPolarHBondContact SG-CG1 3.24Å; L317-V375 HydrophobicContact CB-CG2 4.3Å; L317-V375 HydrophobicContact CD2-CG2 3.93Å; L318-V375 WeakPolarHBondContact O-CA 3.28Å; Y319-V375 HydrophobicContact CD1-CB 3.69Å; Y319-V375 HydrophobicContact CD1-CG2 3.84Å; Y319-V375 HydrophobicContact CD2-CG2 4.39Å; Y319-V375 HydrophobicContact CE1-CB 3.73Å; Y319-V375 HydrophobicContact CE1-CG1 4.35Å; Y319-V375 HydrophobicContact CE1-CG2 3.66Å; Y319-V375 HydrophobicContact CE2-CG2 4.24Å; Y319-V375 HydrophobicContact CG-CB 4.37Å; Y319-V375 HydrophobicContact CG-CG2 4.2Å
376C94.6Very high91Very high0 Ų027.9 Ų27.90%014%0.141CC..EExtended strand (participates in β ladder)trans-106.9117.7165.8-176.30000108.1T271 Y272 L318T271-C376 CarbonylContact O-C 3.56Å; T271-C376 WeakPolarHBondContact O-CA 3.49Å; Y272-C376 HydrophobicContact CD2-CB 4.11Å; L318-C376 HydrophobicContact CB-CB 4.34Å; L318-C376 WeakPolarHBondContact CB-O 3.5Å; L318-C376 PolarHBondContact N-O 3.14Å; L318-C376 PolarHBondContact O-N 2.71Å
377M94.3Very high91.4Very high0 Ų026.9 Ų26.90%013%0.132CC..EExtended strand (participates in β ladder)trans-93.9129.9172.4-172.917877.400109.1A270 T271 C295 F296 C315 C316 L317A270-M377 CarbonylContact C-O 3.38Å; A270-M377 WeakPolarHBondContact CA-O 3.32Å; T271-M377 PolarHBondContact N-O 3.09Å; T271-M377 PolarHBondContact O-N 2.81Å; C295-M377 HydrophobicContact CB-CB 3.83Å; C295-M377 HydrophobicContact CB-CE 4.23Å; C295-M377 HydrophobicContact CB-CG 4.45Å; C295-M377 HydrophobicContact CB-SD 3.82Å; C295-M377 WeakPolarHBondContact O-CE 3.38Å; F296-M377 HydrophobicContact CD1-CE 4.32Å; F296-M377 HydrophobicContact CD1-SD 4.28Å; F296-M377 HydrophobicContact CD2-SD 4.33Å; F296-M377 HydrophobicContact CE1-CE 4.15Å; F296-M377 HydrophobicContact CE1-SD 3.71Å; F296-M377 HydrophobicContact CE2-SD 3.74Å; F296-M377 HydrophobicContact CZ-CE 4.41Å; F296-M377 HydrophobicContact CZ-SD 3.38Å; F296-M377 WeakPolarHBondContact CZ-SD 3.44Å; C315-M377 VanDerWaalsContact SG-SD 3.61Å; C316-M377 CarbonylContact O-C 3.53Å; C316-M377 WeakPolarHBondContact O-CA 3.4Å; L317-M377 HydrophobicContact CD2-CB 3.72Å; L317-M377 HydrophobicContact CD2-CG 3.63Å; L317-M377 HydrophobicContact CD2-SD 4.01Å; L317-M377 HydrophobicContact CG-CG 4.46Å
378L92.2Very high91.7Very high0 Ų024.8 Ų24.80%012%0.12CC..EExtended strand (participates in β ladder)trans-112.2116.6168.8-60.1175.3000107.6F202 I238 F255 L259 L269 A270 C315 C316 L318F202-L378 HydrophobicContact CD1-CD2 3.92Å; F202-L378 HydrophobicContact CE1-CD1 3.78Å; F202-L378 HydrophobicContact CE1-CD2 3.68Å; F202-L378 HydrophobicContact CE1-CG 4.25Å; F202-L378 HydrophobicContact CZ-CD1 4.14Å; I238-L378 HydrophobicContact CD1-CD2 3.83Å; I238-L378 HydrophobicContact CG1-CD1 4.2Å; I238-L378 HydrophobicContact CG1-CD2 4Å; I238-L378 HydrophobicContact CG1-CG 4.47Å; I238-L378 HydrophobicContact CG2-CD1 4.37Å; F255-L378 HydrophobicContact CD1-CD1 3.97Å; F255-L378 HydrophobicContact CE1-CD1 3.48Å; F255-L378 VanDerWaalsContact CE1-CD1 3.48Å; L259-L378 HydrophobicContact CD1-CB 3.81Å; L259-L378 HydrophobicContact CD1-CD1 3.89Å; L259-L378 HydrophobicContact CD2-CB 4.1Å; L259-L378 WeakPolarHBondContact CD2-O 3.18Å; L269-L378 CarbonylContact O-C 3.54Å; L269-L378 WeakPolarHBondContact O-CA 3.15Å; A270-L378 HydrophobicContact CB-CD2 3.9Å; C315-L378 CarbonylContact C-O 3.59Å; C315-L378 WeakPolarHBondContact CA-O 3.38Å; C316-L378 HydrophobicContact CB-CB 4.34Å; C316-L378 PolarHBondContact N-O 3.33Å; C316-L378 PolarHBondContact O-N 3.38Å; L318-L378 HydrophobicContact CD1-CD1 3.87Å; L318-L378 HydrophobicContact CD1-CG 4.43Å
379S91.9Very high92Very high0 Ų025.8 Ų25.80%013%0.132CC..EExtended strand (participates in β ladder)trans-130.8123.5-176.457.40000110.7L269 A314L269-S379 WeakPolarHBondContact CB-O 3.39Å; L269-S379 PolarHBondContact N-O 2.7Å; L269-S379 PolarHBondContact O-N 3.16Å; A314-S379 CarbonylContact O-C 3.58Å; A314-S379 VanDerWaalsContact O-CA 3.27Å; A314-S379 WeakPolarHBondContact O-CA 3.48Å
380N92.4Very high92.2Very high0 Ų029.5 Ų29.50%014%0.144CC..EExtended strand (participates in β ladder)trans-85.6114.9169.8-161.8-13.8000108.2L259 I265 M313 A314L259-N380 VanDerWaalsContact O-CB 3.25Å; L259-N380 WeakPolarHBondContact O-CB 3.2Å; L259-N380 PolarHBondContact O-ND2 2.85Å; I265-N380 PolarHBondContact O-ND2 2.96Å; M313-N380 HydrophobicContact CB-CB 4.44Å; M313-N380 HydrophobicContact CE-CB 4.35Å; M313-N380 WeakPolarHBondContact CE-OD1 3.41Å; M313-N380 PolarHBondContact N-O 3.46Å; A314-N380 HydrophobicContact CB-CB 4.22Å; A314-N380 PolarHBondContact N-O 2.98Å; A314-N380 PolarHBondContact O-N 3.22Å
381T92.9Very high92.3Very high0 Ų021.2 Ų21.20%011%0.108CC..EExtended strand (participates in β ladder)trans-134.9141.2-175.4178.10000110.3L269 K311 A383 I384L269-T381 HydrophobicContact CB-CG2 4.33Å; L269-T381 HydrophobicContact CD2-CG2 4.22Å; K311-T381 VanDerWaalsContact O-CA 3.26Å; K311-T381 WeakPolarHBondContact O-CA 3.39Å; K311-T381 PolarHBondContact O-OG1 3.39Å; T381-A383 HydrophobicContact CG2-CB 4.19Å; T381-A383 PolarHBondContact O-N 2.95Å; T381-A383 PolarHBondContact OG1-N 3.39Å; T381-I384 WeakPolarHBondContact O-CG2 3.45Å; T381-I384 PolarHBondContact O-N 2.92Å
382T94Very high92.6Very high15 Ų1520 Ų209%0.09210%0.101CC..G310 helixtrans-65.4-17.117762.20000113G310 K311 M313 I384 A385 Y432 V435G310-T382 VanDerWaalsContact CA-OG1 3.3Å; G310-T382 WeakPolarHBondContact CA-OG1 3.28Å; K311-T382 PolarHBondContact N-OG1 3.05Å; K311-T382 PolarHBondContact O-N 2.88Å; M313-T382 HydrophobicContact CE-CG2 3.95Å; T382-I384 PolarHBondContact O-N 3.45Å; T382-I384 VanDerWaalsContact O-N 3.13Å; T382-A385 VanDerWaalsContact O-CB 3.23Å; T382-A385 WeakPolarHBondContact O-CB 3.37Å; T382-A385 PolarHBondContact O-N 3.18Å; T382-Y432 HydrophobicContact CG2-CD1 4.29Å; T382-V435 HydrophobicContact CG2-CB 4.36Å; T382-V435 HydrophobicContact CG2-CG1 4.03Å
383A93Very high92.9Very high4 Ų419.5 Ų19.53%0.03310%0.098CC..G310 helixtrans-61.8-20.8176.900000113.5C305 D306 T381 A385 E386C305-A383 HydrophobicContact CB-CB 4.3Å; C305-A383 VanDerWaalsContact CB-O 3.24Å; C305-A383 WeakPolarHBondContact CB-O 3.48Å; D306-A383 WeakPolarHBondContact O-CB 3.29Å; T381-A383 HydrophobicContact CG2-CB 4.19Å; T381-A383 PolarHBondContact O-N 2.95Å; T381-A383 PolarHBondContact OG1-N 3.39Å; A383-A385 PolarHBondContact O-N 3.48Å; A383-E386 WeakPolarHBondContact O-CB 3.45Å; A383-E386 PolarHBondContact O-N 3.01Å; A383-E386 VanDerWaalsContact O-N 3.13Å
384I92.6Very high92.9Very high0 Ų020.4 Ų20.40%010%0.103CC..G310 helixtrans-64.4-18.9175.9-155.1167.8000112.5M203 F267 T381 T382 E386 A387 Y432M203-I384 HydrophobicContact CB-CD1 4.48Å; M203-I384 HydrophobicContact CE-CD1 4.16Å; M203-I384 HydrophobicContact CE-CG1 4.24Å; M203-I384 HydrophobicContact SD-CD1 3.76Å; M203-I384 HydrophobicContact SD-CG1 4.28Å; F267-I384 HydrophobicContact CB-CD1 3.98Å; F267-I384 VanDerWaalsContact O-CD1 3.3Å; F267-I384 WeakPolarHBondContact O-CD1 3.37Å; T381-I384 WeakPolarHBondContact O-CG2 3.45Å; T381-I384 PolarHBondContact O-N 2.92Å; T382-I384 PolarHBondContact O-N 3.45Å; T382-I384 VanDerWaalsContact O-N 3.13Å; I384-E386 PolarHBondContact O-N 3.28Å; I384-A387 HydrophobicContact CG1-CB 4.5Å; I384-A387 VanDerWaalsContact O-CB 3.27Å; I384-A387 WeakPolarHBondContact O-CB 3.45Å; I384-A387 PolarHBondContact O-N 2.78Å; I384-Y432 HydrophobicContact CG2-CE1 3.73Å; I384-Y432 HydrophobicContact CG2-CE2 4.36Å
385A92.6Very high92.9Very high21 Ų2120.3 Ų20.317%0.17410%0.103CC..Hα-helixtrans-56.4-29.5171.600000113T382 A383 A387 W388 A389 Y432T382-A385 VanDerWaalsContact O-CB 3.23Å; T382-A385 WeakPolarHBondContact O-CB 3.37Å; T382-A385 PolarHBondContact O-N 3.18Å; A383-A385 PolarHBondContact O-N 3.48Å; A385-A387 PolarHBondContact O-N 2.8Å; A385-W388 PolarHBondContact O-N 2.76Å; A385-W388 VanDerWaalsContact O-N 3.13Å; A385-A389 PolarHBondContact O-N 3.16Å; A385-Y432 HydrophobicContact CB-CD2 4.14Å; A385-Y432 HydrophobicContact CB-CG 3.97Å
386E91.4Very high93Very high65 Ų6523.2 Ų23.230%0.30412%0.119SC..Hα-helixtrans-60.4-30.5173.2-65.6-177.1168.300112.3C305 D306 H309 A383 I384 R390C305-E386 WeakPolarHBondContact CA-OE2 3.23Å; C305-E386 HydrophobicContact CB-CB 4.42Å; D306-E386 PolarHBondContact N-OE2 3.22Å; D306-E386 VanDerWaalsContact N-OE2 3.12Å; H309-E386 IonicContact ND1-OE1 3.22Å; H309-E386 PolarHBondContact ND1-OE1 3.02Å; A383-E386 WeakPolarHBondContact O-CB 3.45Å; A383-E386 PolarHBondContact O-N 3.01Å; A383-E386 VanDerWaalsContact O-N 3.13Å; I384-E386 PolarHBondContact O-N 3.28Å; E386-R390 WeakPolarHBondContact O-CG 3.49Å; E386-R390 PolarHBondContact O-N 3.27Å; E386-R390 PolarHBondContact O-NH1 3.17Å
387A90.4Very high93Very high0 Ų028.4 Ų28.40%015%0.146CC..Hα-helixtrans-73-37.1176.900000111.8Y172 M203 V303 I384 A385 L391Y172-A387 HydrophobicContact CE2-CB 4.11Å; Y172-A387 PolarHBondContact OH-O 3.22Å; M203-A387 HydrophobicContact CE-CB 4.05Å; V303-A387 HydrophobicContact CG1-CB 3.92Å; I384-A387 HydrophobicContact CG1-CB 4.5Å; I384-A387 VanDerWaalsContact O-CB 3.27Å; I384-A387 WeakPolarHBondContact O-CB 3.45Å; I384-A387 PolarHBondContact O-N 2.78Å; A385-A387 PolarHBondContact O-N 2.8Å; A387-L391 PolarHBondContact O-N 3.46Å
388W92.9Very high93.1Very high0 Ų029.8 Ų29.80%015%0.152CC..Hα-helixtrans-67.1-49174.3-63123.2000111.2F141 T191 M203 F267 A385 R390 L391 D392 M425 E429F141-W388 HydrophobicContact CE2-CH2 4.01Å; F141-W388 HydrophobicContact CZ-CH2 4.2Å; T191-W388 HydrophobicContact CG2-CH2 3.53Å; T191-W388 HydrophobicContact CG2-CZ2 4.23Å; T191-W388 HydrophobicContact CG2-CZ3 3.82Å; T191-W388 WeakPolarHBondContact OG1-CZ3 3.26Å; M203-W388 HydrophobicContact SD-CH2 4.02Å; M203-W388 HydrophobicContact SD-CZ2 3.46Å; M203-W388 WeakPolarHBondContact SD-CZ2 3.31Å; F267-W388 AromaticContact CD1-CZ2 3.75Å; F267-W388 HydrophobicContact CD1-CZ2 3.75Å; F267-W388 HydrophobicContact CD2-CZ2 4.18Å; F267-W388 HydrophobicContact CE1-CH2 4.11Å; F267-W388 AromaticContact CE1-CZ2 3.67Å; F267-W388 HydrophobicContact CE1-CZ2 3.67Å; F267-W388 HydrophobicContact CE2-CZ2 4.1Å; F267-W388 HydrophobicContact CG-CZ2 4Å; F267-W388 HydrophobicContact CZ-CH2 4.35Å; F267-W388 AromaticContact CZ-CZ2 3.85Å; F267-W388 HydrophobicContact CZ-CZ2 3.85Å; A385-W388 PolarHBondContact O-N 2.76Å; A385-W388 VanDerWaalsContact O-N 3.13Å; W388-R390 PolarHBondContact O-N 2.85Å; W388-R390 VanDerWaalsContact O-N 3.08Å; W388-L391 HydrophobicContact CE3-CD1 3.95Å; W388-L391 HydrophobicContact CZ3-CD1 3.94Å; W388-L391 WeakPolarHBondContact O-CA 3.26Å; W388-L391 WeakPolarHBondContact O-CB 3.44Å; W388-L391 PolarHBondContact O-N 3.18Å; W388-D392 PolarHBondContact O-N 3.36Å; W388-M425 HydrophobicContact CB-CE 4.37Å; W388-M425 HydrophobicContact CD2-CE 3.67Å; W388-M425 HydrophobicContact CE3-CE 3.26Å; W388-M425 HydrophobicContact CG-CE 4.16Å; W388-M425 HydrophobicContact CH2-CE 4.49Å; W388-M425 HydrophobicContact CZ3-CE 3.73Å; W388-E429 HydrophobicContact CB-CG 4.39Å
389A92.7Very high93.3Very high45 Ų4530.9 Ų30.937%0.37216%0.157SC..Hα-helixtrans-54.8-35.5177.400000113.6A385 H393 E429A385-A389 PolarHBondContact O-N 3.16Å; A389-H393 VanDerWaalsContact O-CB 3.26Å; A389-H393 WeakPolarHBondContact O-CB 3.34Å; A389-H393 PolarHBondContact O-N 2.66Å; A389-E429 WeakPolarHBondContact CA-OE1 3.38Å; A389-E429 PolarHBondContact N-OE1 3.09Å
390R91.1Very high93.5Very high87 Ų8734.3 Ų34.333%0.32819%0.185SC..Hα-helixtrans-69.5-35.8174.7-73.2-173.4-51.4-102.410.7113.3K304 E386 W388 K394K304-R390 VanDerWaalsContact O-CZ 3.27Å; K304-R390 PolarHBondContact O-NH1 2.88Å; K304-R390 PolarHBondContact O-NH2 3.47Å; E386-R390 WeakPolarHBondContact O-CG 3.49Å; E386-R390 PolarHBondContact O-N 3.27Å; E386-R390 PolarHBondContact O-NH1 3.17Å; W388-R390 PolarHBondContact O-N 2.85Å; W388-R390 VanDerWaalsContact O-N 3.08Å; R390-K394 WeakPolarHBondContact O-CG 3.42Å; R390-K394 PolarHBondContact O-N 2.77Å
391L91.2Very high93.6Very high1 Ų142.6 Ų42.61%0.00522%0.221CC..Hα-helixtrans-70.2-49.2174.6-80.4177.2000110.4Y172 P173 I188 A387 W388 H393 K394 F395Y172-L391 HydrophobicContact CD2-CD1 3.96Å; Y172-L391 HydrophobicContact CE2-CD1 3.29Å; Y172-L391 HydrophobicContact CE2-CD2 4.28Å; Y172-L391 HydrophobicContact CE2-CG 3.59Å; P173-L391 HydrophobicContact CG-CD2 3.82Å; I188-L391 HydrophobicContact CD1-CB 4.23Å; A387-L391 PolarHBondContact O-N 3.46Å; W388-L391 HydrophobicContact CE3-CD1 3.95Å; W388-L391 HydrophobicContact CZ3-CD1 3.94Å; W388-L391 WeakPolarHBondContact O-CA 3.26Å; W388-L391 WeakPolarHBondContact O-CB 3.44Å; W388-L391 PolarHBondContact O-N 3.18Å; L391-H393 VanDerWaalsContact C-N 3.31Å; L391-H393 PolarHBondContact O-N 3.28Å; L391-K394 WeakPolarHBondContact O-CB 3.43Å; L391-K394 PolarHBondContact O-N 2.95Å; L391-F395 PolarHBondContact O-N 3.33Å
392D94.2Very high93.7Very high2 Ų248.1 Ų48.11%0.01124%0.242CC..Hα-helixtrans-57.1-45.2-179.8-79.527.3000111I188 W388 K394 F395 D396 R422I188-D392 WeakPolarHBondContact CD1-OD1 3.27Å; W388-D392 PolarHBondContact O-N 3.36Å; D392-K394 VanDerWaalsContact C-N 3.34Å; D392-K394 PolarHBondContact O-N 3.21Å; D392-F395 WeakPolarHBondContact O-CB 3.24Å; D392-F395 PolarHBondContact O-N 3.33Å; D392-D396 WeakPolarHBondContact O-CB 3.37Å; D392-D396 PolarHBondContact O-N 3.12Å; D392-R422 IonicContact OD2-CZ 2.95Å; D392-R422 IonicContact OD2-NE 3.39Å; D392-R422 IonicContact OD2-NH1 2.81Å; D392-R422 PolarHBondContact OD2-NH1 2.67Å; D392-R422 IonicContact OD2-NH2 3.85Å
393H94.4Very high93.8Very high116 Ų11649 Ų4954%0.53725%0.251SS..Hα-helixtrans-58.9-42.8175.5-177.862.9000113A389 L391 D396 L397A389-H393 VanDerWaalsContact O-CB 3.26Å; A389-H393 WeakPolarHBondContact O-CB 3.34Å; A389-H393 PolarHBondContact O-N 2.66Å; L391-H393 VanDerWaalsContact C-N 3.31Å; L391-H393 PolarHBondContact O-N 3.28Å; H393-D396 PolarHBondContact O-N 2.7Å; H393-L397 WeakPolarHBondContact O-CG 3.18Å; H393-L397 PolarHBondContact O-N 3.14Å; H393-L397 VanDerWaalsContact O-N 3.16Å
394K92.6Very high94Very high71 Ų7152.7 Ų52.731%0.30927%0.266SS..Hα-helixtrans-68.7-39.8177.7-71.7175.9-177.9176.30111.5P184 R390 L391 D392 M398P184-K394 HydrophobicContact CB-CB 3.98Å; P184-K394 HydrophobicContact CG-CB 3.81Å; P184-K394 HydrophobicContact CG-CD 4.13Å; R390-K394 WeakPolarHBondContact O-CG 3.42Å; R390-K394 PolarHBondContact O-N 2.77Å; L391-K394 WeakPolarHBondContact O-CB 3.43Å; L391-K394 PolarHBondContact O-N 2.95Å; D392-K394 VanDerWaalsContact C-N 3.34Å; D392-K394 PolarHBondContact O-N 3.21Å; K394-M398 WeakPolarHBondContact O-CG 3.41Å; K394-M398 PolarHBondContact O-N 3.25Å
395F95.1Very high94.1Very high0 Ų053 Ų530%027%0.268CS..Hα-helixtrans-56.9-51.4174179-78.3000110.2Y185 I188 L391 D392 L397 M398 Y399 F418 R422Y185-F395 AromaticContact CD1-CD2 3.46Å; Y185-F395 HydrophobicContact CD1-CD2 3.46Å; Y185-F395 VanDerWaalsContact CD1-CD2 3.46Å; Y185-F395 AromaticContact CD1-CE2 3.58Å; Y185-F395 HydrophobicContact CD1-CE2 3.58Å; Y185-F395 HydrophobicContact CD1-CG 4.21Å; Y185-F395 HydrophobicContact CD1-CZ 4.42Å; Y185-F395 AromaticContact CE1-CD2 3.99Å; Y185-F395 HydrophobicContact CE1-CD2 3.99Å; Y185-F395 HydrophobicContact CE1-CE2 4.05Å; Y185-F395 HydrophobicContact CE1-CG 4.37Å; Y185-F395 HydrophobicContact CE1-CZ 4.5Å; I188-F395 HydrophobicContact CB-CD2 3.8Å; I188-F395 HydrophobicContact CB-CE2 4.05Å; I188-F395 HydrophobicContact CG1-CB 4.16Å; I188-F395 HydrophobicContact CG1-CD2 3.65Å; I188-F395 HydrophobicContact CG1-CE2 4.39Å; I188-F395 HydrophobicContact CG1-CG 4.14Å; I188-F395 HydrophobicContact CG2-CD2 4.02Å; I188-F395 HydrophobicContact CG2-CE2 3.92Å; L391-F395 PolarHBondContact O-N 3.33Å; D392-F395 WeakPolarHBondContact O-CB 3.24Å; D392-F395 PolarHBondContact O-N 3.33Å; F395-L397 VanDerWaalsContact C-N 3.34Å; F395-L397 PolarHBondContact O-N 2.82Å; F395-M398 PolarHBondContact O-N 3.03Å; F395-M398 VanDerWaalsContact O-N 3.15Å; F395-Y399 AromaticContact CE1-CD1 3.93Å; F395-Y399 HydrophobicContact CE1-CD1 3.93Å; F395-Y399 AromaticContact CE1-CG 3.89Å; F395-Y399 HydrophobicContact CE1-CG 3.89Å; F395-Y399 HydrophobicContact CZ-CD1 4.48Å; F395-Y399 HydrophobicContact CZ-CG 4.24Å; F395-Y399 WeakPolarHBondContact O-CB 3.48Å; F395-Y399 PolarHBondContact O-N 3.21Å; F395-F418 AromaticContact CE2-CD1 3.81Å; F395-F418 HydrophobicContact CE2-CD1 3.81Å; F395-F418 HydrophobicContact CE2-CE1 4.47Å; F395-F418 HydrophobicContact CZ-CB 4.17Å; F395-F418 AromaticContact CZ-CD1 3.8Å; F395-F418 HydrophobicContact CZ-CD1 3.8Å; F395-F418 WeakPolarHBondContact CZ-O 3Å; F395-R422 HydrophobicContact CD1-CB 4.34Å; F395-R422 HydrophobicContact CD1-CG 4.12Å; F395-R422 HydrophobicContact CE1-CB 3.71Å; F395-R422 HydrophobicContact CE1-CG 3.86Å; F395-R422 HydrophobicContact CZ-CB 4.08Å
396D96.1Very high94.3Very high61 Ų6157.8 Ų57.833%0.32629%0.286SS..Hα-helixtrans-60.2-42.9-176.8-69.9-23.3000111.9D392 H393 M398 Y399 A400 R422D392-D396 WeakPolarHBondContact O-CB 3.37Å; D392-D396 PolarHBondContact O-N 3.12Å; H393-D396 PolarHBondContact O-N 2.7Å; D396-M398 VanDerWaalsContact C-N 3.34Å; D396-M398 PolarHBondContact O-N 3.16Å; D396-Y399 PolarHBondContact O-N 2.86Å; D396-A400 WeakPolarHBondContact O-CB 3.37Å; D396-A400 PolarHBondContact O-N 3.46Å; D396-R422 WeakPolarHBondContact OD1-CD 3.33Å; D396-R422 IonicContact OD1-CZ 2.7Å; D396-R422 IonicContact OD1-NE 2.86Å; D396-R422 PolarHBondContact OD1-NE 3.17Å; D396-R422 IonicContact OD1-NH2 3.69Å; D396-R422 IonicContact OD2-CZ 3.77Å; D396-R422 IonicContact OD2-NE 2.63Å; D396-R422 PolarHBondContact OD2-NE 2.83Å; D396-R422 IonicContact OD2-NH2 3.32Å; D396-R422 PolarHBondContact OD2-NH2 3.49Å
397L95.6Very high94.5Very high108 Ų10861.9 Ų61.957%0.56530%0.299SS*.Hα-helixtrans-59.5-41.9177-73.8175000112.8H393 F395H393-L397 WeakPolarHBondContact O-CG 3.18Å; H393-L397 PolarHBondContact O-N 3.14Å; H393-L397 VanDerWaalsContact O-N 3.16Å; F395-L397 VanDerWaalsContact C-N 3.34Å; F395-L397 PolarHBondContact O-N 2.82Å
398M95.3Very high94.8Very high29 Ų2962 Ų6214%0.14330%0.3CS..Hα-helixtrans-76.6-44.9179.9-65.2-170-61.400111.6P184 Y185 K394 F395 D396 A400 K401 R402 A403P184-M398 HydrophobicContact CB-CE 3.58Å; P184-M398 HydrophobicContact CG-CE 3.61Å; Y185-M398 HydrophobicContact CD1-CE 3.92Å; Y185-M398 HydrophobicContact CE1-CB 3.89Å; Y185-M398 HydrophobicContact CE1-CE 3.94Å; Y185-M398 HydrophobicContact CG-CE 4.28Å; Y185-M398 WeakPolarHBondContact OH-CB 3.09Å; Y185-M398 PolarHBondContact OH-O 2.96Å; K394-M398 WeakPolarHBondContact O-CG 3.41Å; K394-M398 PolarHBondContact O-N 3.25Å; F395-M398 PolarHBondContact O-N 3.03Å; F395-M398 VanDerWaalsContact O-N 3.15Å; D396-M398 VanDerWaalsContact C-N 3.34Å; D396-M398 PolarHBondContact O-N 3.16Å; M398-A400 PolarHBondContact O-N 3.37Å; M398-K401 PolarHBondContact O-N 2.97Å; M398-K401 VanDerWaalsContact O-N 3.12Å; M398-R402 PolarHBondContact O-N 3.24Å; M398-A403 PolarHBondContact O-N 3.46Å; M398-A403 VanDerWaalsContact O-N 3.13Å
399Y96Very high95Very high23 Ų2365 Ų659%0.0932%0.318CS..Hα-helixtrans-70.7-31.5-174.4-170.2-120.1000112.3Y185 F395 D396 K401 R402 V405 F418 S419Y185-Y399 VanDerWaalsContact OH-CA 3.3Å; Y185-Y399 WeakPolarHBondContact OH-CA 3.25Å; Y185-Y399 PolarHBondContact OH-N 3.39Å; Y185-Y399 VanDerWaalsContact OH-N 3.17Å; F395-Y399 AromaticContact CE1-CD1 3.93Å; F395-Y399 HydrophobicContact CE1-CD1 3.93Å; F395-Y399 AromaticContact CE1-CG 3.89Å; F395-Y399 HydrophobicContact CE1-CG 3.89Å; F395-Y399 HydrophobicContact CZ-CD1 4.48Å; F395-Y399 HydrophobicContact CZ-CG 4.24Å; F395-Y399 WeakPolarHBondContact O-CB 3.48Å; F395-Y399 PolarHBondContact O-N 3.21Å; D396-Y399 PolarHBondContact O-N 2.86Å; Y399-K401 PolarHBondContact O-N 2.84Å; Y399-K401 VanDerWaalsContact O-N 3.1Å; Y399-R402 PolarHBondContact O-N 2.98Å; Y399-R402 PolarHBondContact O-NH1 3.34Å; Y399-V405 HydrophobicContact CD2-CG2 3.87Å; Y399-V405 HydrophobicContact CE2-CG2 4.07Å; Y399-F418 HydrophobicContact CD2-CB 4.22Å; Y399-F418 HydrophobicContact CD2-CD1 4.37Å; Y399-F418 HydrophobicContact CD2-CG 4.35Å; Y399-F418 HydrophobicContact CE1-CB 4.44Å; Y399-F418 HydrophobicContact CE2-CB 3.55Å; Y399-F418 HydrophobicContact CE2-CD1 4.37Å; Y399-F418 HydrophobicContact CE2-CD2 4.46Å; Y399-F418 AromaticContact CE2-CG 3.9Å; Y399-F418 HydrophobicContact CE2-CG 3.9Å; Y399-S419 PolarHBondContact OH-OG 3.05Å
400A96.1Very high95.1Very high72 Ų7266 Ų6660%0.59533%0.332SS*.THydrogen-bonded Turntrans-58.2-23.7172.200000113.4D396 M398D396-A400 WeakPolarHBondContact O-CB 3.37Å; D396-A400 PolarHBondContact O-N 3.46Å; M398-A400 PolarHBondContact O-N 3.37Å
401K96.3Very high95.3Very high175 Ų17563.7 Ų63.776%0.76133%0.325SS*.THydrogen-bonded Turntrans-1042.4174.4-59.5-55.6-179-168.10113.5M398 Y399 A403M398-K401 PolarHBondContact O-N 2.97Å; M398-K401 VanDerWaalsContact O-N 3.12Å; Y399-K401 PolarHBondContact O-N 2.84Å; Y399-K401 VanDerWaalsContact O-N 3.1Å; K401-A403 PolarHBondContact O-N 3.24Å; K401-A403 VanDerWaalsContact O-N 3.1Å
402R95Very high95.3Very high116 Ų11666.4 Ų66.444%0.43835%0.353SS..THydrogen-bonded Turntrans49.631.9-170.2-59.5-63-168.4-98.35.4112M398 Y399 F404 V405 E415M398-R402 PolarHBondContact O-N 3.24Å; Y399-R402 PolarHBondContact O-N 2.98Å; Y399-R402 PolarHBondContact O-NH1 3.34Å; R402-F404 PolarHBondContact O-N 2.69Å; R402-V405 HydrophobicContact CB-CG2 4.22Å; R402-E415 WeakPolarHBondContact CD-OE1 3.24Å; R402-E415 IonicContact CZ-OE1 3.73Å; R402-E415 IonicContact NE-OE1 2.79Å; R402-E415 PolarHBondContact NE-OE1 3.22Å; R402-E415 IonicContact NH2-OE1 3.84Å
403A95.6Very high95.5Very high33 Ų3366.4 Ų66.427%0.27335%0.353SS..THydrogen-bonded Turntrans-63.7133.4179.100000108.5Y185 M398 K401 V405Y185-A403 WeakPolarHBondContact CE2-O 3.37Å; Y185-A403 PolarHBondContact OH-O 2.76Å; M398-A403 PolarHBondContact O-N 3.46Å; M398-A403 VanDerWaalsContact O-N 3.13Å; K401-A403 PolarHBondContact O-N 3.24Å; K401-A403 VanDerWaalsContact O-N 3.1Å; A403-V405 PolarHBondContact O-N 3.03Å
404F96Very high95.5Very high82 Ų8267.9 Ų67.936%0.3636%0.361SS..THydrogen-bonded Turntrans61.9-4.4178.7-50.6-77.8000117.6V181 V182 Y185 R402 H406 W407 Y408V181-F404 HydrophobicContact CG1-CE2 3.9Å; V181-F404 HydrophobicContact CG1-CZ 4.26Å; V182-F404 HydrophobicContact CG1-CB 3.67Å; V182-F404 HydrophobicContact CG1-CD1 4.22Å; V182-F404 HydrophobicContact CG1-CD2 3.96Å; V182-F404 HydrophobicContact CG1-CG 3.69Å; Y185-F404 HydrophobicContact CE2-CB 4.29Å; R402-F404 PolarHBondContact O-N 2.69Å; F404-H406 VanDerWaalsContact C-N 3.26Å; F404-H406 PolarHBondContact O-N 2.99Å; F404-W407 WeakPolarHBondContact O-CB 3.29Å; F404-W407 PolarHBondContact O-N 2.63Å; F404-W407 VanDerWaalsContact O-N 3.09Å; F404-Y408 WeakPolarHBondContact O-CD2 3.46Å
405V96Very high95.6Very high6 Ų668.6 Ų68.64%0.03637%0.365CS..Hα-helixtrans-56.8-37-178174.60000112.8Y185 Y399 R402 A403 W407 Y408 V409 E415 F418Y185-V405 HydrophobicContact CE2-CG2 4.37Å; Y399-V405 HydrophobicContact CD2-CG2 3.87Å; Y399-V405 HydrophobicContact CE2-CG2 4.07Å; R402-V405 HydrophobicContact CB-CG2 4.22Å; A403-V405 PolarHBondContact O-N 3.03Å; V405-W407 PolarHBondContact O-N 3.05Å; V405-W407 VanDerWaalsContact O-N 3.13Å; V405-Y408 PolarHBondContact O-N 3.47Å; V405-V409 HydrophobicContact CG1-CG2 4.01Å; V405-V409 PolarHBondContact O-N 3.05Å; V405-V409 VanDerWaalsContact O-N 3.13Å; V405-E415 HydrophobicContact CG1-CG 4.05Å; V405-F418 HydrophobicContact CG1-CD2 4.43Å; V405-F418 HydrophobicContact CG1-CE2 4.17Å
406H95.5Very high95.5Very high121 Ų12170.4 Ų70.456%0.5638%0.383SS*.Hα-helixtrans-59-26.1179.565.2-85000114.2F404 Y408 G410F404-H406 VanDerWaalsContact C-N 3.26Å; F404-H406 PolarHBondContact O-N 2.99Å; H406-Y408 VanDerWaalsContact C-N 3.32Å; H406-G410 PolarHBondContact O-N 3.26Å
407W96.1Very high95.5Very high152 Ų15269.2 Ų69.258%0.57638%0.376SS*.Hα-helixtrans-68.1-33.2174.9-70.5111000112.3N102 F404 V405 E411N102-W407 PolarHBondContact ND2-O 3.49Å; F404-W407 WeakPolarHBondContact O-CB 3.29Å; F404-W407 PolarHBondContact O-N 2.63Å; F404-W407 VanDerWaalsContact O-N 3.09Å; V405-W407 PolarHBondContact O-N 3.05Å; V405-W407 VanDerWaalsContact O-N 3.13Å; W407-E411 VanDerWaalsContact O-CG 3.3Å; W407-E411 WeakPolarHBondContact O-CG 3.45Å
408Y97Very high95.6Very high3 Ų364.1 Ų64.11%0.01235%0.349CS..Hα-helixtrans-80-46.4179.9-65.3-105.9000110.2N102 A104 V182 Y185 N186 L189 F404 V405 H406 G410 E411 M413 F418N102-Y408 VanDerWaalsContact OD1-CD1 3.28Å; N102-Y408 WeakPolarHBondContact OD1-CD1 3.38Å; A104-Y408 HydrophobicContact CB-CD1 4.22Å; V182-Y408 WeakPolarHBondContact CB-OH 3.3Å; Y185-Y408 AromaticContact CD2-CE2 3.77Å; Y185-Y408 HydrophobicContact CD2-CE2 3.77Å; N186-Y408 WeakPolarHBondContact OD1-CE1 3.39Å; N186-Y408 PolarHBondContact OD1-OH 3Å; L189-Y408 HydrophobicContact CD1-CD1 4.01Å; L189-Y408 HydrophobicContact CD1-CE1 3.95Å; F404-Y408 WeakPolarHBondContact O-CD2 3.46Å; V405-Y408 PolarHBondContact O-N 3.47Å; H406-Y408 VanDerWaalsContact C-N 3.32Å; Y408-G410 VanDerWaalsContact C-N 3.28Å; Y408-G410 PolarHBondContact O-N 3.19Å; Y408-E411 PolarHBondContact O-N 3.45Å; Y408-M413 HydrophobicContact CD1-SD 4.01Å; Y408-M413 HydrophobicContact CG-SD 4.45Å; Y408-M413 WeakPolarHBondContact O-CB 3.48Å; Y408-M413 PolarHBondContact O-N 2.88Å; Y408-F418 HydrophobicContact CD1-CE2 4.46Å; Y408-F418 AromaticContact CD1-CZ 3.74Å; Y408-F418 HydrophobicContact CD1-CZ 3.74Å; Y408-F418 AromaticContact CD2-CZ 3.78Å; Y408-F418 HydrophobicContact CD2-CZ 3.78Å; Y408-F418 HydrophobicContact CE1-CZ 4.27Å; Y408-F418 HydrophobicContact CE2-CZ 4.33Å; Y408-F418 HydrophobicContact CG-CE2 4.05Å; Y408-F418 AromaticContact CG-CZ 3.49Å; Y408-F418 HydrophobicContact CG-CZ 3.49Å; Y408-F418 VanDerWaalsContact CG-CZ 3.49Å
409V96.3Very high95.6Very high62 Ų6264.7 Ų64.738%0.37636%0.356SS..Hα-helixtrans-62.5-36.7177.4179.20000111.9V405 E411 G412 M413 E415V405-V409 HydrophobicContact CG1-CG2 4.01Å; V405-V409 PolarHBondContact O-N 3.05Å; V405-V409 VanDerWaalsContact O-N 3.13Å; V409-E411 PolarHBondContact O-N 3.09Å; V409-E411 VanDerWaalsContact O-N 3.17Å; V409-G412 PolarHBondContact O-N 2.97Å; V409-M413 WeakPolarHBondContact CA-O 3.38Å; V409-E415 HydrophobicContact CG2-CB 4.05Å
410G94.9Very high95.6Very high66 Ų6669 Ų6968%0.6838%0.377SS*.THydrogen-bonded Turntrans-63.6-16.5175.100000114.4H406 Y408H406-G410 PolarHBondContact O-N 3.26Å; Y408-G410 VanDerWaalsContact C-N 3.28Å; Y408-G410 PolarHBondContact O-N 3.19Å
411E95.6Very high95.6Very high39 Ų3965.6 Ų65.618%0.18235%0.349CS..THydrogen-bonded Turntrans-107.622.6-178.5-65.8-77.2-178.800111.5A104 R105 T109 W407 Y408 V409A104-E411 HydrophobicContact CB-CB 3.75Å; R105-E411 WeakPolarHBondContact CD-OE1 3.43Å; R105-E411 HydrophobicContact CG-CB 4.14Å; R105-E411 HydrophobicContact CG-CG 3.53Å; R105-E411 WeakPolarHBondContact CG-OE1 3.36Å; R105-E411 IonicContact CZ-OE1 3.35Å; R105-E411 IonicContact NE-OE1 2.9Å; R105-E411 IonicContact NH1-OE1 2.75Å; R105-E411 PolarHBondContact NH1-OE1 2.98Å; R105-E411 IonicContact NH1-OE2 2.91Å; T109-E411 HydrophobicContact CG2-CB 4.39Å; T109-E411 VanDerWaalsContact CG2-O 3.31Å; T109-E411 WeakPolarHBondContact CG2-O 3.41Å; T109-E411 WeakPolarHBondContact CG2-OE2 3.15Å; T109-E411 PolarHBondContact OG1-OE2 2.8Å; W407-E411 VanDerWaalsContact O-CG 3.3Å; W407-E411 WeakPolarHBondContact O-CG 3.45Å; Y408-E411 PolarHBondContact O-N 3.45Å; V409-E411 PolarHBondContact O-N 3.09Å; V409-E411 VanDerWaalsContact O-N 3.17Å
412G92.5Very high95.6Very high57 Ų5759.5 Ų59.559%0.58832%0.321SS*.THydrogen-bonded Turntrans84.69.7169.600000115.7V409V409-G412 PolarHBondContact O-N 2.97Å
413M96.8Very high95.7Very high3 Ų360.6 Ų60.62%0.01533%0.331CS..  trans-85.4139.9171.5-176.4-178.8165.200110.6Y103 A104 Y108 L189 Y408 V409 E417 F418Y103-M413 HydrophobicContact CD1-SD 4.27Å; A104-M413 HydrophobicContact CB-CB 3.79Å; A104-M413 HydrophobicContact CB-SD 4.21Å; Y108-M413 HydrophobicContact CD2-CB 3.88Å; Y108-M413 HydrophobicContact CD2-CG 4.36Å; Y108-M413 HydrophobicContact CE2-CB 3.79Å; Y108-M413 HydrophobicContact CE2-CG 3.78Å; L189-M413 HydrophobicContact CD1-CE 3.64Å; L189-M413 HydrophobicContact CD1-SD 3.97Å; L189-M413 HydrophobicContact CD2-CE 3.35Å; L189-M413 HydrophobicContact CG-CE 4.13Å; Y408-M413 HydrophobicContact CD1-SD 4.01Å; Y408-M413 HydrophobicContact CG-SD 4.45Å; Y408-M413 WeakPolarHBondContact O-CB 3.48Å; Y408-M413 PolarHBondContact O-N 2.88Å; V409-M413 WeakPolarHBondContact CA-O 3.38Å; M413-E417 HydrophobicContact CE-CB 3.45Å; M413-E417 VanDerWaalsContact CE-CB 3.45Å; M413-E417 HydrophobicContact CE-CG 4.44Å; M413-E417 HydrophobicContact CG-CB 4.39Å; M413-E417 WeakPolarHBondContact CG-OE2 3.34Å; M413-F418 HydrophobicContact CE-CD2 3.68Å; M413-F418 HydrophobicContact CE-CE2 3.61Å; M413-F418 HydrophobicContact CE-CG 4.25Å; M413-F418 HydrophobicContact CE-CZ 4.13Å; M413-F418 HydrophobicContact SD-CE2 4.03Å; M413-F418 HydrophobicContact SD-CZ 4.42Å
414E96.1Very high95.7Very high147 Ų14760.3 Ų60.369%0.68733%0.325SS*.  trans-78.7142.3174.2-65.5-167.4177.700111.1G416 E417E414-G416 PolarHBondContact O-N 3.24Å; E414-E417 HydrophobicContact CB-CG 4.47Å; E414-E417 PolarHBondContact N-OE1 2.8Å; E414-E417 WeakPolarHBondContact O-CB 3.3Å; E414-E417 PolarHBondContact O-N 2.94Å
415E93.4Very high95.7Very high86 Ų8656.4 Ų56.440%0.40231%0.308SS..THydrogen-bonded Turntrans-62.2-27.5177.9-173.6177.4165.400111.8R402 V405 V409 E417 F418R402-E415 WeakPolarHBondContact CD-OE1 3.24Å; R402-E415 IonicContact CZ-OE1 3.73Å; R402-E415 IonicContact NE-OE1 2.79Å; R402-E415 PolarHBondContact NE-OE1 3.22Å; R402-E415 IonicContact NH2-OE1 3.84Å; V405-E415 HydrophobicContact CG1-CG 4.05Å; V409-E415 HydrophobicContact CG2-CB 4.05Å; E415-E417 VanDerWaalsContact C-N 3.26Å; E415-E417 PolarHBondContact O-N 2.65Å; E415-F418 PolarHBondContact O-N 2.96Å
416G94.3Very high95.6Very high37 Ų3758.1 Ų58.138%0.38132%0.322SS..Hα-helixtrans-57.5-36.4177.400000113.4E414 F418 S419 E420E414-G416 PolarHBondContact O-N 3.24Å; G416-F418 PolarHBondContact O-N 3.15Å; G416-F418 VanDerWaalsContact O-N 3.15Å; G416-S419 WeakPolarHBondContact O-CB 3.33Å; G416-S419 PolarHBondContact O-N 3.4Å; G416-E420 PolarHBondContact O-N 2.97Å; G416-E420 VanDerWaalsContact O-N 3.08Å
417E95.9Very high95.6Very high37 Ų3754.3 Ų54.317%0.17331%0.312CS..Hα-helixtrans-59.2-29.7-178.5-69.8175.2-131.500112.8Y108 M413 E414 E415 S419 A421Y108-E417 PolarHBondContact OH-OE1 3.48Å; Y108-E417 VanDerWaalsContact OH-OE1 3.05Å; Y108-E417 PolarHBondContact OH-OE2 3.48Å; M413-E417 HydrophobicContact CE-CB 3.45Å; M413-E417 VanDerWaalsContact CE-CB 3.45Å; M413-E417 HydrophobicContact CE-CG 4.44Å; M413-E417 HydrophobicContact CG-CB 4.39Å; M413-E417 WeakPolarHBondContact CG-OE2 3.34Å; E414-E417 HydrophobicContact CB-CG 4.47Å; E414-E417 PolarHBondContact N-OE1 2.8Å; E414-E417 WeakPolarHBondContact O-CB 3.3Å; E414-E417 PolarHBondContact O-N 2.94Å; E415-E417 VanDerWaalsContact C-N 3.26Å; E415-E417 PolarHBondContact O-N 2.65Å; E417-S419 VanDerWaalsContact C-N 3.31Å; E417-S419 PolarHBondContact O-N 2.8Å; E417-A421 VanDerWaalsContact O-CB 3.24Å; E417-A421 WeakPolarHBondContact O-CB 3.3Å; E417-A421 PolarHBondContact O-N 2.84Å
418F96.1Very high95.5Very high0 Ų047.1 Ų47.10%029%0.285CS..Hα-helixtrans-63.3-39.8173.7-81-84.2000112.3Y185 L189 F395 Y399 V405 Y408 M413 E415 G416 R422Y185-F418 HydrophobicContact CD1-CD1 4.38Å; Y185-F418 AromaticContact CD1-CE1 4Å; Y185-F418 HydrophobicContact CD1-CE1 4Å; Y185-F418 AromaticContact CD2-CE1 3.93Å; Y185-F418 HydrophobicContact CD2-CE1 3.93Å; Y185-F418 HydrophobicContact CD2-CZ 4.44Å; Y185-F418 HydrophobicContact CE1-CE1 4.4Å; Y185-F418 HydrophobicContact CE2-CE1 4.32Å; Y185-F418 AromaticContact CG-CE1 3.74Å; Y185-F418 HydrophobicContact CG-CE1 3.74Å; L189-F418 HydrophobicContact CD1-CE1 3.96Å; L189-F418 HydrophobicContact CD1-CZ 4.14Å; L189-F418 HydrophobicContact CD2-CD1 4.45Å; F395-F418 AromaticContact CE2-CD1 3.81Å; F395-F418 HydrophobicContact CE2-CD1 3.81Å; F395-F418 HydrophobicContact CE2-CE1 4.47Å; F395-F418 HydrophobicContact CZ-CB 4.17Å; F395-F418 AromaticContact CZ-CD1 3.8Å; F395-F418 HydrophobicContact CZ-CD1 3.8Å; F395-F418 WeakPolarHBondContact CZ-O 3Å; Y399-F418 HydrophobicContact CD2-CB 4.22Å; Y399-F418 HydrophobicContact CD2-CD1 4.37Å; Y399-F418 HydrophobicContact CD2-CG 4.35Å; Y399-F418 HydrophobicContact CE1-CB 4.44Å; Y399-F418 HydrophobicContact CE2-CB 3.55Å; Y399-F418 HydrophobicContact CE2-CD1 4.37Å; Y399-F418 HydrophobicContact CE2-CD2 4.46Å; Y399-F418 AromaticContact CE2-CG 3.9Å; Y399-F418 HydrophobicContact CE2-CG 3.9Å; V405-F418 HydrophobicContact CG1-CD2 4.43Å; V405-F418 HydrophobicContact CG1-CE2 4.17Å; Y408-F418 HydrophobicContact CD1-CE2 4.46Å; Y408-F418 AromaticContact CD1-CZ 3.74Å; Y408-F418 HydrophobicContact CD1-CZ 3.74Å; Y408-F418 AromaticContact CD2-CZ 3.78Å; Y408-F418 HydrophobicContact CD2-CZ 3.78Å; Y408-F418 HydrophobicContact CE1-CZ 4.27Å; Y408-F418 HydrophobicContact CE2-CZ 4.33Å; Y408-F418 HydrophobicContact CG-CE2 4.05Å; Y408-F418 AromaticContact CG-CZ 3.49Å; Y408-F418 HydrophobicContact CG-CZ 3.49Å; Y408-F418 VanDerWaalsContact CG-CZ 3.49Å; M413-F418 HydrophobicContact CE-CD2 3.68Å; M413-F418 HydrophobicContact CE-CE2 3.61Å; M413-F418 HydrophobicContact CE-CG 4.25Å; M413-F418 HydrophobicContact CE-CZ 4.13Å; M413-F418 HydrophobicContact SD-CE2 4.03Å; M413-F418 HydrophobicContact SD-CZ 4.42Å; E415-F418 PolarHBondContact O-N 2.96Å; G416-F418 PolarHBondContact O-N 3.15Å; G416-F418 VanDerWaalsContact O-N 3.15Å; F418-R422 VanDerWaalsContact O-CB 3.29Å; F418-R422 WeakPolarHBondContact O-CB 3.44Å; F418-R422 PolarHBondContact O-N 3.3Å; F418-R422 VanDerWaalsContact O-N 3.16Å
419S95.2Very high95.3Very high41 Ų4148.9 Ų48.929%0.28729%0.293SS..Hα-helixtrans-74.6-42.8-178.3-43.70000109.9Y399 G416 E417 R422 E423Y399-S419 PolarHBondContact OH-OG 3.05Å; G416-S419 WeakPolarHBondContact O-CB 3.33Å; G416-S419 PolarHBondContact O-N 3.4Å; E417-S419 VanDerWaalsContact C-N 3.31Å; E417-S419 PolarHBondContact O-N 2.8Å; S419-R422 PolarHBondContact O-N 3.09Å; S419-E423 WeakPolarHBondContact O-CB 3.5Å; S419-E423 WeakPolarHBondContact O-CG 3.31Å; S419-E423 PolarHBondContact O-N 3.36Å
420E96.6Very high95.2Very high115 Ų11551.4 Ų51.454%0.53730%0.299SS..Hα-helixtrans-59.9-48.8176.3-67.2175.8-17700111.7G416 R422 E423 D424G416-E420 PolarHBondContact O-N 2.97Å; G416-E420 VanDerWaalsContact O-N 3.08Å; E420-R422 VanDerWaalsContact C-N 3.29Å; E420-R422 PolarHBondContact O-N 3.35Å; E420-E423 PolarHBondContact O-N 3.16Å; E420-D424 PolarHBondContact O-N 3.47Å
421A96.5Very high95.2Very high0 Ų050.3 Ų50.30%028%0.278CS..Hα-helixtrans-61.3-39.4177.100000112I188 L189 H192 E417 D424 M425I188-A421 HydrophobicContact CG2-CB 3.93Å; L189-A421 HydrophobicContact CD2-CB 3.88Å; H192-A421 HydrophobicContact CB-CB 3.6Å; E417-A421 VanDerWaalsContact O-CB 3.24Å; E417-A421 WeakPolarHBondContact O-CB 3.3Å; E417-A421 PolarHBondContact O-N 2.84Å; A421-D424 PolarHBondContact O-N 3.19Å; A421-M425 VanDerWaalsContact O-CG 3.29Å; A421-M425 WeakPolarHBondContact O-CG 3.34Å; A421-M425 PolarHBondContact O-N 3.23Å
422R96.8Very high95.1Very high46 Ų4648.6 Ų48.617%0.17427%0.27CS..Hα-helixtrans-69-37.5178.4177.759.7-172.4104.7-10.1112.7D392 F395 D396 F418 S419 E420 M425 A426D392-R422 IonicContact OD2-CZ 2.95Å; D392-R422 IonicContact OD2-NE 3.39Å; D392-R422 IonicContact OD2-NH1 2.81Å; D392-R422 PolarHBondContact OD2-NH1 2.67Å; D392-R422 IonicContact OD2-NH2 3.85Å; F395-R422 HydrophobicContact CD1-CB 4.34Å; F395-R422 HydrophobicContact CD1-CG 4.12Å; F395-R422 HydrophobicContact CE1-CB 3.71Å; F395-R422 HydrophobicContact CE1-CG 3.86Å; F395-R422 HydrophobicContact CZ-CB 4.08Å; D396-R422 WeakPolarHBondContact OD1-CD 3.33Å; D396-R422 IonicContact OD1-CZ 2.7Å; D396-R422 IonicContact OD1-NE 2.86Å; D396-R422 PolarHBondContact OD1-NE 3.17Å; D396-R422 IonicContact OD1-NH2 3.69Å; D396-R422 IonicContact OD2-CZ 3.77Å; D396-R422 IonicContact OD2-NE 2.63Å; D396-R422 PolarHBondContact OD2-NE 2.83Å; D396-R422 IonicContact OD2-NH2 3.32Å; D396-R422 PolarHBondContact OD2-NH2 3.49Å; F418-R422 VanDerWaalsContact O-CB 3.29Å; F418-R422 WeakPolarHBondContact O-CB 3.44Å; F418-R422 PolarHBondContact O-N 3.3Å; F418-R422 VanDerWaalsContact O-N 3.16Å; S419-R422 PolarHBondContact O-N 3.09Å; E420-R422 VanDerWaalsContact C-N 3.29Å; E420-R422 PolarHBondContact O-N 3.35Å; R422-M425 PolarHBondContact O-N 3.49Å; R422-A426 PolarHBondContact O-N 2.95Å
423E96.3Very high95Very high139 Ų13952.6 Ų52.665%0.6527%0.273SS*.Hα-helixtrans-66.3-40.8175.3-75.6176.6-167.100111.4S419 E420 A426 A427S419-E423 WeakPolarHBondContact O-CB 3.5Å; S419-E423 WeakPolarHBondContact O-CG 3.31Å; S419-E423 PolarHBondContact O-N 3.36Å; E420-E423 PolarHBondContact O-N 3.16Å; E423-A426 WeakPolarHBondContact O-CB 3.5Å; E423-A426 PolarHBondContact O-N 3.39Å; E423-A427 PolarHBondContact O-N 3.06Å
424D95.9Very high94.8Very high28 Ų2857.1 Ų57.115%0.1529%0.294CS..Hα-helixtrans-65.4-38.7175.5-172.432.4000112.2H192 R264 E420 A421 A427 L428H192-D424 IonicContact CE1-OD2 3.96Å; H192-D424 IonicContact CG-OD2 2.64Å; H192-D424 WeakPolarHBondContact ND1-CB 3.38Å; H192-D424 IonicContact ND1-OD2 3.74Å; H192-D424 PolarHBondContact ND1-OD2 3.02Å; R264-D424 IonicContact CZ-OD1 3.65Å; R264-D424 VanDerWaalsContact CZ-OD1 3.23Å; R264-D424 IonicContact NH1-OD1 3.9Å; R264-D424 PolarHBondContact NH1-OD1 3.39Å; R264-D424 PolarHBondContact NH2-O 2.81Å; R264-D424 IonicContact NH2-OD1 3.75Å; R264-D424 PolarHBondContact NH2-OD1 3.47Å; E420-D424 PolarHBondContact O-N 3.47Å; A421-D424 PolarHBondContact O-N 3.19Å; D424-A427 WeakPolarHBondContact O-CB 3.44Å; D424-A427 PolarHBondContact O-N 3.23Å; D424-L428 PolarHBondContact O-N 2.94Å
425M95.4Very high94.4Very high0 Ų051 Ų510%027%0.266CS..Hα-helixtrans-65.9-37.9172.7-68-55.7-57.800112.5I188 T191 W388 A421 R422 A427 L428 E429I188-M425 HydrophobicContact CD1-CB 4.38Å; I188-M425 HydrophobicContact CD1-CE 4.33Å; I188-M425 HydrophobicContact CD1-CG 3.81Å; I188-M425 HydrophobicContact CG2-CG 3.94Å; T191-M425 HydrophobicContact CG2-CE 4.01Å; T191-M425 HydrophobicContact CG2-SD 3.55Å; T191-M425 VanDerWaalsContact CG2-SD 3.55Å; W388-M425 HydrophobicContact CB-CE 4.37Å; W388-M425 HydrophobicContact CD2-CE 3.67Å; W388-M425 HydrophobicContact CE3-CE 3.26Å; W388-M425 HydrophobicContact CG-CE 4.16Å; W388-M425 HydrophobicContact CH2-CE 4.49Å; W388-M425 HydrophobicContact CZ3-CE 3.73Å; A421-M425 VanDerWaalsContact O-CG 3.29Å; A421-M425 WeakPolarHBondContact O-CG 3.34Å; A421-M425 PolarHBondContact O-N 3.23Å; R422-M425 PolarHBondContact O-N 3.49Å; M425-A427 VanDerWaalsContact C-N 3.3Å; M425-A427 PolarHBondContact O-N 3Å; M425-L428 HydrophobicContact CE-CD2 3.88Å; M425-L428 WeakPolarHBondContact O-CB 3.46Å; M425-L428 PolarHBondContact O-N 3.17Å; M425-L428 HydrophobicContact SD-CD2 4.2Å; M425-E429 PolarHBondContact O-N 3.47Å
426A94.1Very high93.9Very high41 Ų4147.9 Ų47.934%0.33926%0.258SS..Hα-helixtrans-62.8-38.6172.400000111.8R422 E423 E429 K430R422-A426 PolarHBondContact O-N 2.95Å; E423-A426 WeakPolarHBondContact O-CB 3.5Å; E423-A426 PolarHBondContact O-N 3.39Å; A426-E429 PolarHBondContact O-N 2.9Å; A426-K430 PolarHBondContact O-N 2.81Å; A426-K430 VanDerWaalsContact O-N 3.09Å
427A95.8Very high93.5Very high42 Ų4250.8 Ų50.835%0.34727%0.268SS..Hα-helixtrans-65.4-40.4173.700000111.4E423 D424 M425 K430 D431E423-A427 PolarHBondContact O-N 3.06Å; D424-A427 WeakPolarHBondContact O-CB 3.44Å; D424-A427 PolarHBondContact O-N 3.23Å; M425-A427 VanDerWaalsContact C-N 3.3Å; M425-A427 PolarHBondContact O-N 3Å; A427-K430 WeakPolarHBondContact O-CB 3.46Å; A427-K430 PolarHBondContact O-N 3.32Å; A427-D431 VanDerWaalsContact O-CG 3.22Å; A427-D431 PolarHBondContact O-N 3.35Å
428L94.4Very high92.2Very high0 Ų053.3 Ų53.30%028%0.283CS..Hα-helixtrans-62.7-41.2174.9-176.664.4000112.4L195 R264 F267 D424 M425 K430 D431 Y432L195-L428 HydrophobicContact CD1-CD2 4.32Å; R264-L428 HydrophobicContact CB-CD1 4.27Å; R264-L428 WeakPolarHBondContact O-CD1 3.1Å; F267-L428 HydrophobicContact CE2-CD2 4.09Å; D424-L428 PolarHBondContact O-N 2.94Å; M425-L428 HydrophobicContact CE-CD2 3.88Å; M425-L428 WeakPolarHBondContact O-CB 3.46Å; M425-L428 PolarHBondContact O-N 3.17Å; M425-L428 HydrophobicContact SD-CD2 4.2Å; L428-K430 VanDerWaalsContact C-N 3.3Å; L428-K430 PolarHBondContact O-N 3.08Å; L428-D431 WeakPolarHBondContact O-CB 3.34Å; L428-D431 PolarHBondContact O-N 3.39Å; L428-Y432 HydrophobicContact CD1-CD2 4.41Å; L428-Y432 HydrophobicContact CD1-CE2 3.97Å; L428-Y432 HydrophobicContact CG-CD2 4.27Å; L428-Y432 HydrophobicContact CG-CE2 3.98Å; L428-Y432 VanDerWaalsContact O-CD2 3.24Å; L428-Y432 WeakPolarHBondContact O-CD2 3.38Å; L428-Y432 PolarHBondContact O-N 2.97Å; L428-Y432 VanDerWaalsContact O-N 3.16Å
429E93.3Very high90.5Very high41 Ų4157.5 Ų57.519%0.19231%0.312CS..Hα-helixtrans-59.1-44.3173.1-72.4-175.617300111.2W388 A389 M425 A426 D431 Y432 E433W388-E429 HydrophobicContact CB-CG 4.39Å; A389-E429 WeakPolarHBondContact CA-OE1 3.38Å; A389-E429 PolarHBondContact N-OE1 3.09Å; M425-E429 PolarHBondContact O-N 3.47Å; A426-E429 PolarHBondContact O-N 2.9Å; E429-D431 PolarHBondContact O-N 3.16Å; E429-Y432 WeakPolarHBondContact O-CB 3.45Å; E429-Y432 PolarHBondContact O-N 3.15Å; E429-E433 PolarHBondContact O-N 3.28Å
430K94.3Very high88.1Confident114 Ų11462.2 Ų62.250%0.49634%0.339SS..Hα-helixtrans-63.1-39.3176-167.3172-176.6-83.50112.5A426 A427 L428 Y432 E433 E434A426-K430 PolarHBondContact O-N 2.81Å; A426-K430 VanDerWaalsContact O-N 3.09Å; A427-K430 WeakPolarHBondContact O-CB 3.46Å; A427-K430 PolarHBondContact O-N 3.32Å; L428-K430 VanDerWaalsContact C-N 3.3Å; L428-K430 PolarHBondContact O-N 3.08Å; K430-Y432 VanDerWaalsContact C-N 3.27Å; K430-Y432 PolarHBondContact O-N 3.35Å; K430-E433 PolarHBondContact O-N 2.89Å; K430-E433 VanDerWaalsContact O-N 3.17Å; K430-E434 HydrophobicContact CG-CG 4.49Å; K430-E434 IonicContact NZ-OE1 3.01Å; K430-E434 PolarHBondContact NZ-OE1 3.24Å; K430-E434 WeakPolarHBondContact O-CG 3.29Å; K430-E434 PolarHBondContact O-N 3.25Å
431D93.9Very high85.7Confident44 Ų4459.8 Ų59.824%0.23535%0.345CS..Hα-helixtrans-57.8-41.7174.5-65.8-28.7000110.7R264 I265 A427 L428 E429 V435R264-D431 IonicContact CZ-OD2 2.75Å; R264-D431 IonicContact NE-OD2 2.8Å; R264-D431 PolarHBondContact NE-OD2 3.13Å; R264-D431 IonicContact NH2-OD2 3.68Å; I265-D431 HydrophobicContact CD1-CB 4.19Å; I265-D431 HydrophobicContact CG1-CB 4.41Å; A427-D431 VanDerWaalsContact O-CG 3.22Å; A427-D431 PolarHBondContact O-N 3.35Å; L428-D431 WeakPolarHBondContact O-CB 3.34Å; L428-D431 PolarHBondContact O-N 3.39Å; E429-D431 PolarHBondContact O-N 3.16Å; D431-V435 VanDerWaalsContact O-CG2 3.32Å; D431-V435 WeakPolarHBondContact O-CG2 3.48Å; D431-V435 PolarHBondContact O-N 3.1Å; D431-V435 VanDerWaalsContact O-N 3.09Å
432Y93.6Very high83.1Confident3 Ų367.9 Ų67.91%0.01239%0.388CS..Hα-helixtrans-69.1-37.5175.8-80.5-70.8000113.4I265 M313 T382 I384 A385 L428 E429 K430 G436I265-Y432 HydrophobicContact CB-CE1 4.35Å; I265-Y432 HydrophobicContact CG1-CD1 4.47Å; I265-Y432 HydrophobicContact CG1-CE1 4.24Å; I265-Y432 HydrophobicContact CG2-CD1 4.13Å; I265-Y432 HydrophobicContact CG2-CE1 3.36Å; M313-Y432 HydrophobicContact CE-CE1 4.22Å; T382-Y432 HydrophobicContact CG2-CD1 4.29Å; I384-Y432 HydrophobicContact CG2-CE1 3.73Å; I384-Y432 HydrophobicContact CG2-CE2 4.36Å; A385-Y432 HydrophobicContact CB-CD2 4.14Å; A385-Y432 HydrophobicContact CB-CG 3.97Å; L428-Y432 HydrophobicContact CD1-CD2 4.41Å; L428-Y432 HydrophobicContact CD1-CE2 3.97Å; L428-Y432 HydrophobicContact CG-CD2 4.27Å; L428-Y432 HydrophobicContact CG-CE2 3.98Å; L428-Y432 VanDerWaalsContact O-CD2 3.24Å; L428-Y432 WeakPolarHBondContact O-CD2 3.38Å; L428-Y432 PolarHBondContact O-N 2.97Å; L428-Y432 VanDerWaalsContact O-N 3.16Å; E429-Y432 WeakPolarHBondContact O-CB 3.45Å; E429-Y432 PolarHBondContact O-N 3.15Å; K430-Y432 VanDerWaalsContact C-N 3.27Å; K430-Y432 PolarHBondContact O-N 3.35Å; Y432-G436 PolarHBondContact O-N 3.28Å
433E91.4Very high80.4Confident140 Ų14074.9 Ų74.965%0.65442%0.423SS*.Hα-helixtrans-63-47.5174.8-71.9-177.2170.100111.1E429 K430 V435 G436 T437E429-E433 PolarHBondContact O-N 3.28Å; K430-E433 PolarHBondContact O-N 2.89Å; K430-E433 VanDerWaalsContact O-N 3.17Å; E433-V435 PolarHBondContact O-N 2.89Å; E433-G436 WeakPolarHBondContact O-CA 3.15Å; E433-G436 PolarHBondContact O-N 3.1Å; E433-T437 PolarHBondContact O-N 3.13Å
434E90.8Very high77.6Confident98 Ų9876 Ų7646%0.45843%0.434SS..Hα-helixtrans-60.6-44.8178.9-73.3179.9-170.800111.2K430 G436 T437K430-E434 HydrophobicContact CG-CG 4.49Å; K430-E434 IonicContact NZ-OE1 3.01Å; K430-E434 PolarHBondContact NZ-OE1 3.24Å; K430-E434 WeakPolarHBondContact O-CG 3.29Å; K430-E434 PolarHBondContact O-N 3.25Å; E434-G436 PolarHBondContact O-N 3.12Å; E434-T437 PolarHBondContact O-N 2.94Å; E434-T437 VanDerWaalsContact O-N 3.12Å; E434-T437 PolarHBondContact O-OG1 3.13Å
435V88.9Confident75Confident18 Ų1884.4 Ų84.411%0.10947%0.472CS..Hα-helixtrans-66.4-25.2175.5174.10000112.7Y262 I265 M313 V344 W346 T382 D431 E433 T437Y262-V435 HydrophobicContact CD2-CG2 4.03Å; Y262-V435 HydrophobicContact CE2-CG2 3.81Å; I265-V435 HydrophobicContact CD1-CB 4.36Å; I265-V435 HydrophobicContact CD1-CG2 3.61Å; M313-V435 HydrophobicContact CG-CG1 3.84Å; M313-V435 HydrophobicContact SD-CG1 3.61Å; V344-V435 HydrophobicContact CG1-CG1 4.27Å; W346-V435 HydrophobicContact CZ2-CG1 4.07Å; T382-V435 HydrophobicContact CG2-CB 4.36Å; T382-V435 HydrophobicContact CG2-CG1 4.03Å; D431-V435 VanDerWaalsContact O-CG2 3.32Å; D431-V435 WeakPolarHBondContact O-CG2 3.48Å; D431-V435 PolarHBondContact O-N 3.1Å; D431-V435 VanDerWaalsContact O-N 3.09Å; E433-V435 PolarHBondContact O-N 2.89Å; V435-T437 VanDerWaalsContact C-N 3.34Å
436G83.6Confident72.6Confident22 Ų2287.7 Ų87.723%0.22751%0.506CS..Hα-helixtrans-73.9-22.1174.500000114K311 Y432 E433 E434K311-G436 WeakPolarHBondContact CD-O 3.37Å; K311-G436 VanDerWaalsContact CE-O 3.31Å; K311-G436 WeakPolarHBondContact CE-O 3.46Å; K311-G436 PolarHBondContact NZ-O 3.46Å; Y432-G436 PolarHBondContact O-N 3.28Å; E433-G436 WeakPolarHBondContact O-CA 3.15Å; E433-G436 PolarHBondContact O-N 3.1Å; E434-G436 PolarHBondContact O-N 3.12Å
437T83.9Confident70.2Confident97 Ų9793.4 Ų93.460%0.59553%0.526SS*.SBendtrans-73.6138.9177.161.50000111.4E433 E434 V435E433-T437 PolarHBondContact O-N 3.13Å; E434-T437 PolarHBondContact O-N 2.94Å; E434-T437 VanDerWaalsContact O-N 3.12Å; E434-T437 PolarHBondContact O-OG1 3.13Å; V435-T437 VanDerWaalsContact C-N 3.34Å
438D69.7Low67.6Low91 Ų91101 Ų10149%0.48755%0.554SS.*  trans-74.3148173-70.4-52.2000109.6K311 V440K311-D438 IonicContact NZ-OD1 3.84Å; K311-D438 PolarHBondContact NZ-OD1 2.84Å; K311-D438 IonicContact NZ-OD2 3.56Å; K311-D438 PolarHBondContact NZ-OD2 3.28Å; D438-V440 HydrophobicContact CB-CG2 4.28Å; D438-V440 PolarHBondContact O-N 2.79Å
439S60.6Low65.1Low87 Ų87114.3 Ų114.361%0.60861%0.606SS**SBendtrans-64.85.5178-43.70000114.2D345 G441D345-S439 VanDerWaalsContact CG-OG 3.29Å; D345-S439 PolarHBondContact OD1-OG 3.14Å; D345-S439 WeakPolarHBondContact OD2-CB 3.41Å; D345-S439 PolarHBondContact OD2-N 2.95Å; D345-S439 PolarHBondContact OD2-OG 3.36Å; S439-G441 PolarHBondContact O-N 3.2Å; S439-G441 VanDerWaalsContact O-N 3.11Å
440V45.3Very low63.7Low140 Ų140118 Ų11885%0.84863%0.627SS**THydrogen-bonded Turntrans-88.875.8-174.6-167.80000108.9D438D438-V440 HydrophobicContact CB-CG2 4.28Å; D438-V440 PolarHBondContact O-N 2.79Å
441G44.4Very low62.1Low65 Ų65118.2 Ų118.267%0.6763%0.634SS**THydrogen-bonded Turntrans-154.3-19.1176.800000116.2S439S439-G441 PolarHBondContact O-N 3.2Å; S439-G441 VanDerWaalsContact O-N 3.11Å
442D43Very low60.4Low169 Ų169122.3 Ų122.390%0.90466%0.656SS**SBendtrans-10912.3-170.8-86.4-16.6000115.5
443E39Very low58.4Low193 Ų193129.3 Ų129.390%0.90269%0.694SS**SBendtrans-111.96.4179-75.3-167.8164.100115.9
444D39.2Very low56.4Low163 Ų163128.6 Ų128.687%0.87270%0.696SS**SBendtrans-123.628.6-176.6-98.3-19.5000115.3
445E40.1Very low54.1Low205 Ų205130.7 Ų130.796%0.95871%0.712SS**SBendtrans-122.757.6166.1-75.3-160.5168.900112.3
446G46.2Very low51.6Low69 Ų69138.7 Ų138.771%0.71176%0.755SS**SBendtrans-150.412.4-172.300000119
447E42.5Very low49.1Very low161 Ų161147.7 Ų147.775%0.75280%0.796SS**  trans-146.487.8166.9-71.7-164.1173.200111.8
448E41.2Very low46.2Very low202 Ų202151.9 Ų151.994%0.94481%0.812SS**  trans-102.9124.4150.4-90.7-166.415900109.2
449Y43.2Very low44.1Very low278 Ų278157.5 Ų157.5100%1.0984%0.842SS**  trans-65.90-177.7-78.4-88.3000115.1

Retrieved 449 of 449 residues in 260.7 ms (Link to these results)

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